AZOR_STAAN Loading...

FMN-dependent NADH:quinone oxidoreductase

Quinone reductase that provides resistance to thiol-specific stress caused by electrophilic quinones. Also exhibits azoreductase activity. Catalyzes the reductive cleavage of the azo bond in aromatic azo compounds to the corresponding amines.

AlphaFold DB (Q2G1F2), UniProt , Accession Q99X11, Species STAAN (Staphylococcus aureus (strain N315)), Gene azoR, Length 208 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
1M92.4Very high98Very high179 Ų17930.6 Ų30.688%0.88216%0.162SC*.  097.90-179.6173-57.600107D36 D37M1-D36 VanDerWaalsContact CB-O 3.29Å; M1-D36 WeakPolarHBondContact CB-O 3.43Å; M1-D36 VanDerWaalsContact CE-O 3.24Å; M1-D36 WeakPolarHBondContact CE-O 3.3Å; M1-D36 WeakPolarHBondContact CG-O 3.43Å; M1-D37 WeakPolarHBondContact CA-OD1 3.38Å
2A97.3Very high98Very high19 Ų1938.5 Ų38.516%0.15720%0.195CC..  trans-84158.2163.700000109.2D37 E38 D91A2-D37 PolarHBondContact N-OD1 2.78Å; A2-D37 WeakPolarHBondContact O-CA 3.46Å; A2-D37 WeakPolarHBondContact O-CB 3.49Å; A2-E38 PolarHBondContact O-N 3.45Å; A2-D91 WeakPolarHBondContact CA-OD2 3.47Å; A2-D91 HydrophobicContact CB-CB 4.2Å
3K98.7Very high98Very high39 Ų3941.2 Ų41.217%0.1721%0.21CC..EExtended strand (participates in β ladder)trans-110128.1170.8-176.5175.7-174.9-177.50110E38 S89 A90 D91 K92K3-E38 CarbonylContact C-O 3.58Å; K3-E38 WeakPolarHBondContact CA-O 3.42Å; K3-E38 WeakPolarHBondContact CE-OE1 3.25Å; K3-E38 HydrophobicContact CG-CB 4.37Å; K3-E38 IonicContact NZ-OE1 3.59Å; K3-S89 PolarHBondContact NZ-OG 2.69Å; K3-A90 HydrophobicContact CG-CB 4.25Å; K3-D91 PolarHBondContact N-OD2 3.2Å; K3-D91 PolarHBondContact O-N 3.37Å; K3-K92 PolarHBondContact O-N 3.42Å
4V98.9Very high97.9Very high0 Ų041.9 Ų41.90%021%0.212CC..EExtended strand (participates in β ladder)trans-113.8127.7-179.2-172.80000109.4I27 Y30 E38 V39 K40 K92 V94V4-I27 HydrophobicContact CG1-CD1 4.26Å; V4-Y30 HydrophobicContact CG2-CD1 4.41Å; V4-Y30 HydrophobicContact CG2-CE1 3.58Å; V4-E38 PolarHBondContact N-O 3.04Å; V4-V39 HydrophobicContact CB-CG2 4.22Å; V4-V39 WeakPolarHBondContact O-CA 3.42Å; V4-K40 PolarHBondContact O-N 2.91Å; V4-K92 WeakPolarHBondContact CA-O 3.36Å; V4-K92 HydrophobicContact CB-CB 4.48Å; V4-K92 HydrophobicContact CG1-CB 4.2Å; V4-K92 HydrophobicContact CG2-CB 4.11Å; V4-K92 HydrophobicContact CG2-CD 4.24Å; V4-V94 HydrophobicContact CG1-CG2 4.01Å
5L98.9Very high97.7Very high0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-93.5116.8165.5-57.7-176.4000109.5I7 K40 I42 E86 F87 A90 K92 Y93 V94L5-I7 HydrophobicContact CB-CD1 3.91Å; L5-I7 HydrophobicContact CB-CG1 3.8Å; L5-K40 WeakPolarHBondContact CA-O 3.48Å; L5-K40 HydrophobicContact CD2-CB 3.86Å; L5-K40 HydrophobicContact CD2-CD 4.41Å; L5-K40 HydrophobicContact CD2-CG 4.4Å; L5-I42 HydrophobicContact CB-CD1 4.18Å; L5-I42 HydrophobicContact CD1-CD1 3.84Å; L5-I42 HydrophobicContact CD2-CD1 3.97Å; L5-I42 HydrophobicContact CG-CD1 4.19Å; L5-E86 HydrophobicContact CD1-CG 4.2Å; L5-E86 HydrophobicContact CD2-CG 4.21Å; L5-F87 HydrophobicContact CD1-CD2 4.22Å; L5-A90 HydrophobicContact CD1-CB 3.92Å; L5-A90 HydrophobicContact CD2-CB 4.12Å; L5-A90 HydrophobicContact CG-CB 3.51Å; L5-K92 PolarHBondContact N-O 2.75Å; L5-Y93 HydrophobicContact CB-CD1 4.26Å; L5-Y93 HydrophobicContact CD1-CD1 4.18Å; L5-Y93 HydrophobicContact CD1-CE1 4.11Å; L5-Y93 HydrophobicContact CG-CD1 4.4Å; L5-V94 PolarHBondContact O-N 2.86Å
6Y98.9Very high97.6Very high15 Ų1551.1 Ų51.16%0.05927%0.266CS..EExtended strand (participates in β ladder)trans-91.5100.6168.9179.7-125000107.9T8 G23 K24 I27 K40 H41 I42 V94 V96Y6-T8 HydrophobicContact CD1-CG2 4.01Å; Y6-T8 HydrophobicContact CD2-CG2 4.46Å; Y6-T8 HydrophobicContact CE1-CG2 3.46Å; Y6-T8 VanDerWaalsContact CE1-CG2 3.46Å; Y6-T8 HydrophobicContact CE2-CG2 4Å; Y6-T8 HydrophobicContact CG-CG2 4.46Å; Y6-T8 VanDerWaalsContact CZ-CG2 3.44Å; Y6-G23 VanDerWaalsContact OH-C 3.24Å; Y6-K24 PolarHBondContact OH-N 3.15Å; Y6-I27 HydrophobicContact CD1-CG2 4.34Å; Y6-I27 HydrophobicContact CD2-CB 4.2Å; Y6-I27 HydrophobicContact CD2-CG1 4.31Å; Y6-I27 HydrophobicContact CE1-CG2 4.21Å; Y6-I27 HydrophobicContact CE2-CB 4.34Å; Y6-I27 HydrophobicContact CE2-CG2 4.37Å; Y6-I27 HydrophobicContact CG-CB 4.4Å; Y6-I27 HydrophobicContact CG-CG1 4.13Å; Y6-K40 PolarHBondContact N-O 3.15Å; Y6-H41 HydrophobicContact CD1-CB 4.16Å; Y6-H41 AromaticContact CD1-CD2 3.39Å; Y6-H41 WeakPolarHBondContact CD1-CD2 3.21Å; Y6-H41 AromaticContact CD1-CG 3.8Å; Y6-H41 AromaticContact CE1-CD2 3.85Å; Y6-H41 CarbonylContact O-C 3.35Å; Y6-H41 WeakPolarHBondContact O-CA 3.5Å; Y6-H41 PolarHBondContact O-CD2 2.96Å; Y6-I42 PolarHBondContact O-N 3.37Å; Y6-V94 HydrophobicContact CD2-CB 4.15Å; Y6-V94 HydrophobicContact CD2-CG1 3.93Å; Y6-V94 HydrophobicContact CE2-CG1 4.26Å; Y6-V96 HydrophobicContact CD2-CG2 4.26Å; Y6-V96 HydrophobicContact CE2-CG2 3.44Å; Y6-V96 VanDerWaalsContact CE2-CG2 3.44Å
7I98.9Very high97.6Very high1 Ų148.5 Ų48.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-106.8107.1-169.2-56.8161.4000108.7L5 I42 L44 F87 Y93 V94 F95 V96 Y111L5-I7 HydrophobicContact CB-CD1 3.91Å; L5-I7 HydrophobicContact CB-CG1 3.8Å; I7-I42 WeakPolarHBondContact CA-O 3.23Å; I7-I42 HydrophobicContact CG1-CB 4.47Å; I7-I42 HydrophobicContact CG1-CD1 4.21Å; I7-L44 HydrophobicContact CG2-CD1 3.68Å; I7-L44 HydrophobicContact CG2-CD2 3.95Å; I7-L44 HydrophobicContact CG2-CG 3.82Å; I7-F87 HydrophobicContact CD1-CE2 4.37Å; I7-Y93 HydrophobicContact CD1-CD1 4.47Å; I7-V94 PolarHBondContact N-O 3.1Å; I7-F95 HydrophobicContact CB-CD1 4.05Å; I7-F95 HydrophobicContact CB-CE1 4.21Å; I7-F95 HydrophobicContact CD1-CD1 4.27Å; I7-F95 HydrophobicContact CD1-CE1 3.72Å; I7-F95 HydrophobicContact CD1-CE2 4.07Å; I7-F95 HydrophobicContact CD1-CZ 3.61Å; I7-F95 HydrophobicContact CG2-CD1 3.9Å; I7-F95 HydrophobicContact CG2-CE1 3.89Å; I7-F95 CarbonylContact O-C 3.56Å; I7-F95 WeakPolarHBondContact O-CA 2.89Å; I7-V96 PolarHBondContact O-N 3.32Å; I7-Y111 HydrophobicContact CD1-CE1 3.86Å; I7-Y111 HydrophobicContact CG2-CE1 4.36Å
8T98.9Very high97.6Very high0 Ų046.7 Ų46.70%024%0.244CC..EExtended strand (participates in β ladder)trans-106.8134.1-176.161.30000111.2Y6 M20 H41 I42 D43 L44 V96Y6-T8 HydrophobicContact CD1-CG2 4.01Å; Y6-T8 HydrophobicContact CD2-CG2 4.46Å; Y6-T8 HydrophobicContact CE1-CG2 3.46Å; Y6-T8 VanDerWaalsContact CE1-CG2 3.46Å; Y6-T8 HydrophobicContact CE2-CG2 4Å; Y6-T8 HydrophobicContact CG-CG2 4.46Å; Y6-T8 VanDerWaalsContact CZ-CG2 3.44Å; T8-M20 HydrophobicContact CG2-CE 3.84Å; T8-M20 HydrophobicContact CG2-SD 3.99Å; T8-H41 WeakPolarHBondContact CG2-NE2 3.15Å; T8-H41 PolarHBondContact OG1-NE2 2.95Å; T8-I42 PolarHBondContact N-O 3.37Å; T8-D43 WeakPolarHBondContact OG1-CA 3.38Å; T8-L44 WeakPolarHBondContact O-CB 3.38Å; T8-L44 WeakPolarHBondContact O-CG 3.4Å; T8-L44 PolarHBondContact O-N 2.93Å; T8-V96 HydrophobicContact CG2-CB 4.15Å; T8-V96 HydrophobicContact CG2-CG2 4.27Å
9A98.8Very high97.6Very high1 Ų144.3 Ų44.31%0.00823%0.231CC..  trans-124.869.317400000110L44 F45 V96 T97 P98 P105 V107 V108A9-L44 HydrophobicContact CB-CB 4.44Å; A9-L44 HydrophobicContact CB-CD1 4.17Å; A9-F45 HydrophobicContact CB-CE2 4.5Å; A9-V96 PolarHBondContact N-O 3.08Å; A9-T97 HydrophobicContact CB-CG2 4.33Å; A9-P98 WeakPolarHBondContact O-CD 3.17Å; A9-P105 HydrophobicContact CB-CG 4.35Å; A9-P105 WeakPolarHBondContact O-CG 3.45Å; A9-V107 HydrophobicContact CB-CG2 4.18Å; A9-V108 HydrophobicContact CB-CG2 3.28Å
10H98.6Very high97.7Very high18 Ų1842.9 Ų42.98%0.08322%0.224CC..  trans-145.8134.1178-158.4-80.9000110.8F12 S17 M20H10-F12 VanDerWaalsContact C-N 3.29Å; H10-F12 AromaticContact CE1-CD2 3.79Å; H10-F12 PolarHBondContact ND1-N 3.17Å; H10-F12 PolarHBondContact ND1-O 3.19Å; H10-F12 PolarHBondContact O-N 2.67Å; H10-S17 PolarHBondContact CD2-OG 2.88Å; H10-S17 VanDerWaalsContact CD2-OG 3.26Å; H10-S17 WeakPolarHBondContact CE1-CB 3.49Å; H10-S17 PolarHBondContact CE1-OG 3.34Å; H10-S17 VanDerWaalsContact CE1-OG 3.32Å; H10-S17 PolarHBondContact NE2-OG 2.89Å; H10-M20 HydrophobicContact CB-CG 3.75Å; H10-M20 HydrophobicContact CB-SD 3.72Å
11P98Very high97.7Very high65 Ų6541.2 Ų41.242%0.42222%0.217SC..SBendtrans-77.8-13.2-179.231.8-37.5000113.8F45 W100P11-F45 HydrophobicContact CB-CD1 4.37Å; P11-F45 HydrophobicContact CB-CE1 4.38Å; P11-W100 HydrophobicContact CG-CH2 3.91Å; P11-W100 HydrophobicContact CG-CZ2 4.08Å
12F98Very high98Very high125 Ų12532.7 Ų32.755%0.54818%0.175SC..SBendtrans-113.5161.5175-54.2-54.3000111.5H10 V16 M20H10-F12 VanDerWaalsContact C-N 3.29Å; H10-F12 AromaticContact CE1-CD2 3.79Å; H10-F12 PolarHBondContact ND1-N 3.17Å; H10-F12 PolarHBondContact ND1-O 3.19Å; H10-F12 PolarHBondContact O-N 2.67Å; F12-V16 HydrophobicContact CB-CB 4.07Å; F12-V16 HydrophobicContact CB-CG1 4.3Å; F12-V16 HydrophobicContact CD2-CG1 4.11Å; F12-V16 HydrophobicContact CG-CB 4.5Å; F12-V16 HydrophobicContact CG-CG1 4.26Å; F12-M20 WeakPolarHBondContact O-CG 3.48Å
13N97.2Very high98.1Very high73 Ų7331.8 Ų31.839%0.3917%0.167SC..  trans-89.6-173.4179.871.89.7000113.5L15 V16 S17N13-L15 PolarHBondContact O-N 3.34Å; N13-L15 WeakPolarHBondContact OD1-CB 3.23Å; N13-L15 PolarHBondContact OD1-N 3.4Å; N13-L15 VanDerWaalsContact OD1-N 3.1Å; N13-V16 PolarHBondContact O-N 3.37Å; N13-S17 VanDerWaalsContact O-CB 3.31Å; N13-S17 WeakPolarHBondContact O-CB 3.45Å; N13-S17 PolarHBondContact O-N 2.96Å
14E97.4Very high98.1Very high52 Ų5233.3 Ų33.324%0.24317%0.174CC..THydrogen-bonded Turntrans-63.1-22.1-178.275.1-81.6-161.700115.3V16 M20 A21 K24 K194E14-V16 VanDerWaalsContact C-N 3.27Å; E14-V16 PolarHBondContact O-N 2.76Å; E14-M20 HydrophobicContact CB-CB 4.3Å; E14-A21 HydrophobicContact CB-CB 4.33Å; E14-K24 HydrophobicContact CB-CB 4.38Å; E14-K24 HydrophobicContact CB-CD 4.06Å; E14-K24 HydrophobicContact CG-CD 3.63Å; E14-K24 IonicContact OE1-NZ 2.78Å; E14-K24 PolarHBondContact OE1-NZ 2.94Å; E14-K194 PolarHBondContact O-NZ 3.09Å
15L95.2Very high98.1Very high130 Ų13033.8 Ų33.868%0.68118%0.178SC*.THydrogen-bonded Turntrans-70.9-32.4-179.5-59178.4000110.4N13N13-L15 PolarHBondContact O-N 3.34Å; N13-L15 WeakPolarHBondContact OD1-CB 3.23Å; N13-L15 PolarHBondContact OD1-N 3.4Å; N13-L15 VanDerWaalsContact OD1-N 3.1Å
16V95.1Very high98.1Very high101 Ų10133.8 Ų33.861%0.61218%0.178SC*.THydrogen-bonded Turntrans-105.7-34.7-176.7-176.30000112F12 N13 E14F12-V16 HydrophobicContact CB-CB 4.07Å; F12-V16 HydrophobicContact CB-CG1 4.3Å; F12-V16 HydrophobicContact CD2-CG1 4.11Å; F12-V16 HydrophobicContact CG-CB 4.5Å; F12-V16 HydrophobicContact CG-CG1 4.26Å; N13-V16 PolarHBondContact O-N 3.37Å; E14-V16 VanDerWaalsContact C-N 3.27Å; E14-V16 PolarHBondContact O-N 2.76Å
17S97.6Very high98.1Very high7 Ų733.6 Ų33.65%0.04918%0.178CC..  trans-102.2127.2-171.7178.20000113.2H10 N13 S19 M20 A21H10-S17 PolarHBondContact CD2-OG 2.88Å; H10-S17 VanDerWaalsContact CD2-OG 3.26Å; H10-S17 WeakPolarHBondContact CE1-CB 3.49Å; H10-S17 PolarHBondContact CE1-OG 3.34Å; H10-S17 VanDerWaalsContact CE1-OG 3.32Å; H10-S17 PolarHBondContact NE2-OG 2.89Å; N13-S17 VanDerWaalsContact O-CB 3.31Å; N13-S17 WeakPolarHBondContact O-CB 3.45Å; N13-S17 PolarHBondContact O-N 2.96Å; S17-S19 PolarHBondContact OG-OG 2.89Å; S17-S19 VanDerWaalsContact OG-OG 3.05Å; S17-M20 PolarHBondContact O-N 3.33Å; S17-M20 PolarHBondContact OG-N 2.79Å; S17-A21 WeakPolarHBondContact O-CB 3.38Å; S17-A21 PolarHBondContact O-N 2.68Å
18N97.7Very high98.1Very high16 Ų1637.9 Ų37.99%0.08620%0.197CC..Hα-helixtrans-64-41175.2-70.6-31.9000112.4A21 A22 S143 I180 H183N18-A21 PolarHBondContact O-N 3.24Å; N18-A22 PolarHBondContact O-N 3.28Å; N18-A22 VanDerWaalsContact O-N 3.1Å; N18-S143 WeakPolarHBondContact CB-OG 3.47Å; N18-I180 HydrophobicContact CB-CG2 4.13Å; N18-I180 WeakPolarHBondContact O-CD1 3.49Å; N18-H183 PolarHBondContact ND2-CD2 2.98Å; N18-H183 VanDerWaalsContact ND2-CG 3.35Å
19S98.5Very high98.1Very high0 Ų038.8 Ų38.80%020%0.203CC..Hα-helixtrans-64.7-41.717755.90000111.2S17 G23 V96 T97S17-S19 PolarHBondContact OG-OG 2.89Å; S17-S19 VanDerWaalsContact OG-OG 3.05Å; S19-G23 PolarHBondContact O-N 2.89Å; S19-V96 VanDerWaalsContact C-CG1 3.43Å; S19-V96 WeakPolarHBondContact O-CG1 3.49Å; S19-T97 WeakPolarHBondContact CB-O 3.32Å
20M98.8Very high98.1Very high16 Ų1638.8 Ų38.88%0.07920%0.203CC..Hα-helixtrans-68.9-36.1177.7-63.4-62.1-69.400112.3T8 H10 F12 E14 S17 G23 K24 V96T8-M20 HydrophobicContact CG2-CE 3.84Å; T8-M20 HydrophobicContact CG2-SD 3.99Å; H10-M20 HydrophobicContact CB-CG 3.75Å; H10-M20 HydrophobicContact CB-SD 3.72Å; F12-M20 WeakPolarHBondContact O-CG 3.48Å; E14-M20 HydrophobicContact CB-CB 4.3Å; S17-M20 PolarHBondContact O-N 3.33Å; S17-M20 PolarHBondContact OG-N 2.79Å; M20-G23 PolarHBondContact O-N 3.46Å; M20-K24 VanDerWaalsContact O-CB 3.29Å; M20-K24 WeakPolarHBondContact O-CB 3.25Å; M20-K24 PolarHBondContact O-N 3.09Å; M20-V96 HydrophobicContact SD-CG1 3.85Å
21A98.6Very high98.1Very high9 Ų942 Ų427%0.07422%0.218CC..Hα-helixtrans-61.2-50.8174.800000112.5E14 S17 N18 G23 K24 A25 K194 I198E14-A21 HydrophobicContact CB-CB 4.33Å; S17-A21 WeakPolarHBondContact O-CB 3.38Å; S17-A21 PolarHBondContact O-N 2.68Å; N18-A21 PolarHBondContact O-N 3.24Å; A21-G23 VanDerWaalsContact C-N 3.34Å; A21-G23 PolarHBondContact O-N 3.45Å; A21-K24 PolarHBondContact O-N 3.13Å; A21-A25 WeakPolarHBondContact O-CB 3.37Å; A21-A25 PolarHBondContact O-N 3.49Å; A21-K194 HydrophobicContact CB-CG 4.44Å; A21-I198 HydrophobicContact CB-CD1 4.36Å
22A98.8Very high98.1Very high0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-64.2-40175.300000111.9N18 A25 F26 I141 I180 A201N18-A22 PolarHBondContact O-N 3.28Å; N18-A22 VanDerWaalsContact O-N 3.1Å; A22-A25 PolarHBondContact O-N 3.16Å; A22-F26 WeakPolarHBondContact O-CB 3.42Å; A22-F26 PolarHBondContact O-N 2.98Å; A22-I141 HydrophobicContact CB-CG2 3.86Å; A22-I180 HydrophobicContact CB-CD1 3.49Å; A22-I180 VanDerWaalsContact CB-CD1 3.49Å; A22-A201 HydrophobicContact CB-CB 4.25Å; A22-A201 VanDerWaalsContact O-CB 3.28Å; A22-A201 WeakPolarHBondContact O-CB 3.35Å
23G98.9Very high98Very high0 Ų044.7 Ų44.70%023%0.227CC..Hα-helixtrans-63.3-41177.500000113.5Y6 S19 M20 A21 F26 I27Y6-G23 VanDerWaalsContact OH-C 3.24Å; S19-G23 PolarHBondContact O-N 2.89Å; M20-G23 PolarHBondContact O-N 3.46Å; A21-G23 VanDerWaalsContact C-N 3.34Å; A21-G23 PolarHBondContact O-N 3.45Å; G23-F26 WeakPolarHBondContact O-CB 3.35Å; G23-F26 PolarHBondContact O-N 2.89Å; G23-I27 PolarHBondContact O-N 3.46Å
24K98.8Very high98.1Very high71 Ų7143.8 Ų43.831%0.30922%0.22SC..Hα-helixtrans-65.2-48.1175.7-173.8178.6-178.1-178.90110.9Y6 E14 M20 A21 F26 I27 E28Y6-K24 PolarHBondContact OH-N 3.15Å; E14-K24 HydrophobicContact CB-CB 4.38Å; E14-K24 HydrophobicContact CB-CD 4.06Å; E14-K24 HydrophobicContact CG-CD 3.63Å; E14-K24 IonicContact OE1-NZ 2.78Å; E14-K24 PolarHBondContact OE1-NZ 2.94Å; M20-K24 VanDerWaalsContact O-CB 3.29Å; M20-K24 WeakPolarHBondContact O-CB 3.25Å; M20-K24 PolarHBondContact O-N 3.09Å; A21-K24 PolarHBondContact O-N 3.13Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.26Å; K24-I27 WeakPolarHBondContact O-CG2 3.37Å; K24-I27 PolarHBondContact O-N 2.67Å; K24-E28 WeakPolarHBondContact CE-OE1 3.19Å; K24-E28 HydrophobicContact CG-CG 4.25Å; K24-E28 IonicContact NZ-OE1 3.78Å; K24-E28 WeakPolarHBondContact O-CB 3.43Å; K24-E28 WeakPolarHBondContact O-CG 3.35Å; K24-E28 PolarHBondContact O-N 3.46Å
25A98.8Very high98.1Very high10 Ų1046.1 Ų46.18%0.08324%0.24CC..Hα-helixtrans-59.4-41.9176.700000112.1A21 A22 T29 I198 E202A21-A25 WeakPolarHBondContact O-CB 3.37Å; A21-A25 PolarHBondContact O-N 3.49Å; A22-A25 PolarHBondContact O-N 3.16Å; A25-T29 VanDerWaalsContact O-CB 3.26Å; A25-T29 WeakPolarHBondContact O-CB 3.33Å; A25-T29 PolarHBondContact O-N 3.24Å; A25-T29 VanDerWaalsContact O-N 3.09Å; A25-T29 PolarHBondContact O-OG1 2.87Å; A25-I198 HydrophobicContact CB-CB 4.39Å; A25-I198 HydrophobicContact CB-CG1 4.35Å; A25-I198 HydrophobicContact CB-CG2 3.78Å; A25-E202 HydrophobicContact CB-CG 4.06Å
26F98.9Very high98.2Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-56.1-56.4174-179-90.9000111.2A22 G23 K24 T29 Y30 V94 L139 I141 A201 L204 A205 F208A22-F26 WeakPolarHBondContact O-CB 3.42Å; A22-F26 PolarHBondContact O-N 2.98Å; G23-F26 WeakPolarHBondContact O-CB 3.35Å; G23-F26 PolarHBondContact O-N 2.89Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.26Å; F26-T29 PolarHBondContact O-N 2.87Å; F26-Y30 HydrophobicContact CE1-CD2 4.43Å; F26-Y30 HydrophobicContact CZ-CD2 4.38Å; F26-Y30 VanDerWaalsContact O-CB 3.31Å; F26-Y30 WeakPolarHBondContact O-CB 3.41Å; F26-Y30 PolarHBondContact O-N 3.34Å; F26-V94 HydrophobicContact CD1-CG1 4.06Å; F26-V94 HydrophobicContact CD1-CG2 4.15Å; F26-V94 HydrophobicContact CE1-CG1 4.29Å; F26-V94 HydrophobicContact CE1-CG2 3.59Å; F26-V94 HydrophobicContact CZ-CG2 4.4Å; F26-L139 HydrophobicContact CD1-CD2 4.09Å; F26-L139 HydrophobicContact CD2-CD2 3.5Å; F26-L139 HydrophobicContact CE1-CD2 3.88Å; F26-L139 HydrophobicContact CE2-CD2 3.24Å; F26-L139 HydrophobicContact CG-CD2 3.94Å; F26-L139 HydrophobicContact CZ-CD2 3.44Å; F26-L139 VanDerWaalsContact CZ-CD2 3.44Å; F26-I141 HydrophobicContact CB-CD1 3.92Å; F26-I141 HydrophobicContact CG-CD1 4.18Å; F26-A201 HydrophobicContact CB-CB 3.99Å; F26-A201 WeakPolarHBondContact CD2-O 3.38Å; F26-L204 HydrophobicContact CE2-CB 4.35Å; F26-L204 HydrophobicContact CE2-CD2 4.41Å; F26-L204 HydrophobicContact CE2-CG 4.12Å; F26-A205 HydrophobicContact CD2-CB 3.82Å; F26-A205 HydrophobicContact CE2-CB 3.8Å; F26-A205 HydrophobicContact CG-CB 4.37Å; F26-A205 HydrophobicContact CZ-CB 4.33Å; F26-A205 WeakPolarHBondContact O-CB 3.3Å; F26-F208 HydrophobicContact CE1-CD1 4.18Å; F26-F208 HydrophobicContact CE2-CB 4.12Å; F26-F208 HydrophobicContact CE2-CG 4.25Å; F26-F208 HydrophobicContact CZ-CB 3.76Å; F26-F208 AromaticContact CZ-CD1 3.53Å; F26-F208 HydrophobicContact CZ-CD1 3.53Å; F26-F208 HydrophobicContact CZ-CD2 4.29Å; F26-F208 HydrophobicContact CZ-CE1 4.13Å; F26-F208 AromaticContact CZ-CG 3.6Å; F26-F208 HydrophobicContact CZ-CG 3.6Å
27I98.8Very high98.4Very high11 Ų1142.3 Ų42.36%0.05622%0.217CC..Hα-helixtrans-72.9-36.7-169.3-160.362.8000112.1V4 Y6 G23 K24 Y30 Q31 V39V4-I27 HydrophobicContact CG1-CD1 4.26Å; Y6-I27 HydrophobicContact CD1-CG2 4.34Å; Y6-I27 HydrophobicContact CD2-CB 4.2Å; Y6-I27 HydrophobicContact CD2-CG1 4.31Å; Y6-I27 HydrophobicContact CE1-CG2 4.21Å; Y6-I27 HydrophobicContact CE2-CB 4.34Å; Y6-I27 HydrophobicContact CE2-CG2 4.37Å; Y6-I27 HydrophobicContact CG-CB 4.4Å; Y6-I27 HydrophobicContact CG-CG1 4.13Å; G23-I27 PolarHBondContact O-N 3.46Å; K24-I27 WeakPolarHBondContact O-CG2 3.37Å; K24-I27 PolarHBondContact O-N 2.67Å; I27-Y30 PolarHBondContact O-N 2.74Å; I27-Q31 WeakPolarHBondContact O-CG 3.28Å; I27-Q31 PolarHBondContact O-N 2.66Å; I27-V39 HydrophobicContact CD1-CG1 3.66Å; I27-V39 HydrophobicContact CD1-CG2 3.98Å; I27-V39 HydrophobicContact CG1-CG1 3.63Å; I27-V39 HydrophobicContact CG1-CG2 4.43Å
28E98.6Very high98.4Very high90 Ų9046.3 Ų46.342%0.42123%0.234SC..Hα-helixtrans-63.9-44.2174.7-71.5179.8162.700110.9K24 Q31 Q32K24-E28 WeakPolarHBondContact CE-OE1 3.19Å; K24-E28 HydrophobicContact CG-CG 4.25Å; K24-E28 IonicContact NZ-OE1 3.78Å; K24-E28 WeakPolarHBondContact O-CB 3.43Å; K24-E28 WeakPolarHBondContact O-CG 3.35Å; K24-E28 PolarHBondContact O-N 3.46Å; E28-Q31 PolarHBondContact O-N 3.28Å; E28-Q32 VanDerWaalsContact O-CG 3.27Å; E28-Q32 WeakPolarHBondContact O-CG 3.34Å; E28-Q32 PolarHBondContact O-N 3.14Å; E28-Q32 VanDerWaalsContact O-N 3.11Å
29T98.8Very high98.5Very high20 Ų2047.1 Ų47.112%0.12324%0.24CC..Hα-helixtrans-65.5-41.8175.7-56.60000111.2A25 F26 Q31 Q32 Q33 E202 A205A25-T29 VanDerWaalsContact O-CB 3.26Å; A25-T29 WeakPolarHBondContact O-CB 3.33Å; A25-T29 PolarHBondContact O-N 3.24Å; A25-T29 VanDerWaalsContact O-N 3.09Å; A25-T29 PolarHBondContact O-OG1 2.87Å; F26-T29 PolarHBondContact O-N 2.87Å; T29-Q31 PolarHBondContact O-N 3.06Å; T29-Q32 PolarHBondContact O-N 2.89Å; T29-Q33 WeakPolarHBondContact O-CG 3.47Å; T29-Q33 PolarHBondContact O-N 3.45Å; T29-Q33 VanDerWaalsContact O-N 3.07Å; T29-E202 HydrophobicContact CG2-CB 4.38Å; T29-A205 HydrophobicContact CG2-CB 3.88Å
30Y98.8Very high98.5Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-57.8-48.4177.6-179.7-85.7000111.2V4 F26 I27 Q32 Q33 H34 D37 V39 K92 F208V4-Y30 HydrophobicContact CG2-CD1 4.41Å; V4-Y30 HydrophobicContact CG2-CE1 3.58Å; F26-Y30 HydrophobicContact CE1-CD2 4.43Å; F26-Y30 HydrophobicContact CZ-CD2 4.38Å; F26-Y30 VanDerWaalsContact O-CB 3.31Å; F26-Y30 WeakPolarHBondContact O-CB 3.41Å; F26-Y30 PolarHBondContact O-N 3.34Å; I27-Y30 PolarHBondContact O-N 2.74Å; Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.44Å; Y30-Q33 PolarHBondContact O-N 2.96Å; Y30-Q33 VanDerWaalsContact O-N 3.17Å; Y30-H34 HydrophobicContact CD1-CB 4.46Å; Y30-H34 AromaticContact CD2-ND1 3.67Å; Y30-H34 HydrophobicContact CE1-CB 3.95Å; Y30-H34 AromaticContact CE2-CE1 3.81Å; Y30-H34 AromaticContact CE2-ND1 3.52Å; Y30-H34 AromaticContact CZ-CG 3.93Å; Y30-H34 AromaticContact CZ-ND1 3.7Å; Y30-H34 PolarHBondContact O-N 2.82Å; Y30-H34 PolarHBondContact O-ND1 3.13Å; Y30-H34 VanDerWaalsContact O-ND1 3.14Å; Y30-D37 HydrophobicContact CE1-CB 4.1Å; Y30-D37 PolarHBondContact OH-OD2 2.84Å; Y30-V39 HydrophobicContact CD1-CG2 4.39Å; Y30-K92 HydrophobicContact CE2-CD 4.3Å; Y30-K92 WeakPolarHBondContact OH-CE 3.46Å; Y30-K92 PolarHBondContact OH-NZ 3.31Å; Y30-F208 HydrophobicContact CD2-CB 4.42Å; Y30-F208 HydrophobicContact CD2-CD1 4.18Å; Y30-F208 HydrophobicContact CE2-CB 4.5Å; Y30-F208 AromaticContact CE2-CD1 3.95Å; Y30-F208 HydrophobicContact CE2-CD1 3.95Å; Y30-F208 WeakPolarHBondContact CE2-OXT 3.35Å
31Q98.2Very high98.5Very high85 Ų8555 Ų5540%0.39728%0.275SS..Hα-helixtrans-64.6-33.5179.1-72.7-178.5-68.300112.7I27 E28 T29 Q33 H34 P35 V39I27-Q31 WeakPolarHBondContact O-CG 3.28Å; I27-Q31 PolarHBondContact O-N 2.66Å; E28-Q31 PolarHBondContact O-N 3.28Å; T29-Q31 PolarHBondContact O-N 3.06Å; Q31-Q33 VanDerWaalsContact C-N 3.34Å; Q31-H34 CarbonylContact O-C 3.35Å; Q31-P35 WeakPolarHBondContact O-CA 3.42Å; Q31-V39 HydrophobicContact CG-CB 4.25Å; Q31-V39 HydrophobicContact CG-CG2 3.46Å; Q31-V39 VanDerWaalsContact CG-CG2 3.46Å
32Q98.2Very high98.5Very high139 Ų13954.8 Ų54.865%0.6527%0.273SS*.Hα-helixtrans-66.5-36.8174-70.8169.52200112.2E28 T29 Y30E28-Q32 VanDerWaalsContact O-CG 3.27Å; E28-Q32 WeakPolarHBondContact O-CG 3.34Å; E28-Q32 PolarHBondContact O-N 3.14Å; E28-Q32 VanDerWaalsContact O-N 3.11Å; T29-Q32 PolarHBondContact O-N 2.89Å; Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.44Å
33Q97.4Very high98.5Very high109 Ų10956.6 Ų56.651%0.50928%0.282SS..Hα-helixtrans-81.1-26.4178.5-61.6-57.2-43.900112.9T29 Y30 Q31 P35 T206T29-Q33 WeakPolarHBondContact O-CG 3.47Å; T29-Q33 PolarHBondContact O-N 3.45Å; T29-Q33 VanDerWaalsContact O-N 3.07Å; Y30-Q33 PolarHBondContact O-N 2.96Å; Y30-Q33 VanDerWaalsContact O-N 3.17Å; Q31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-P35 VanDerWaalsContact C-CD 3.49Å; Q33-P35 WeakPolarHBondContact O-CD 3.05Å; Q33-T206 HydrophobicContact CG-CG2 4.4Å
34H97.7Very high98.5Very high54 Ų5456.7 Ų56.725%0.2528%0.283CS..  trans-127.765.8-177.9-5292.9000110.8Y30 Q31 D36 D37Y30-H34 HydrophobicContact CD1-CB 4.46Å; Y30-H34 AromaticContact CD2-ND1 3.67Å; Y30-H34 HydrophobicContact CE1-CB 3.95Å; Y30-H34 AromaticContact CE2-CE1 3.81Å; Y30-H34 AromaticContact CE2-ND1 3.52Å; Y30-H34 AromaticContact CZ-CG 3.93Å; Y30-H34 AromaticContact CZ-ND1 3.7Å; Y30-H34 PolarHBondContact O-N 2.82Å; Y30-H34 PolarHBondContact O-ND1 3.13Å; Y30-H34 VanDerWaalsContact O-ND1 3.14Å; Q31-H34 CarbonylContact O-C 3.35Å; H34-D36 PolarHBondContact O-N 2.71Å; H34-D36 VanDerWaalsContact O-N 3.14Å; H34-D37 HydrophobicContact CB-CB 4.06Å; H34-D37 PolarHBondContact O-N 3.37Å
35P97.7Very high98.4Very high101 Ų10157.2 Ų57.266%0.65629%0.285SS*.THydrogen-bonded Turntrans-65.5-19.3-173.427.1-36.3000114Q31 Q33Q31-P35 WeakPolarHBondContact O-CA 3.42Å; Q33-P35 VanDerWaalsContact C-CD 3.49Å; Q33-P35 WeakPolarHBondContact O-CD 3.05Å
36D98.1Very high98.4Very high121 Ų12164.4 Ų64.465%0.64732%0.317SS*.THydrogen-bonded Turntrans-89.5-2.9177.5-63.6-38.9000113.3M1 H34M1-D36 VanDerWaalsContact CB-O 3.29Å; M1-D36 WeakPolarHBondContact CB-O 3.43Å; M1-D36 VanDerWaalsContact CE-O 3.24Å; M1-D36 WeakPolarHBondContact CE-O 3.3Å; M1-D36 WeakPolarHBondContact CG-O 3.43Å; H34-D36 PolarHBondContact O-N 2.71Å; H34-D36 VanDerWaalsContact O-N 3.14Å
37D98.4Very high98.3Very high30 Ų3066.2 Ų66.216%0.1633%0.328CS..SBendtrans-87.5144.5177-77.1-2000111.3M1 A2 Y30 H34M1-D37 WeakPolarHBondContact CA-OD1 3.38Å; A2-D37 PolarHBondContact N-OD1 2.78Å; A2-D37 WeakPolarHBondContact O-CA 3.46Å; A2-D37 WeakPolarHBondContact O-CB 3.49Å; Y30-D37 HydrophobicContact CE1-CB 4.1Å; Y30-D37 PolarHBondContact OH-OD2 2.84Å; H34-D37 HydrophobicContact CB-CB 4.06Å; H34-D37 PolarHBondContact O-N 3.37Å
38E98.5Very high98.2Very high90 Ų9071.4 Ų71.442%0.42135%0.348SS..EExtended strand (participates in β ladder)trans-85.6128.7174.7-173.2-167.5152.200109.5A2 K3 V4A2-E38 PolarHBondContact O-N 3.45Å; K3-E38 CarbonylContact C-O 3.58Å; K3-E38 WeakPolarHBondContact CA-O 3.42Å; K3-E38 WeakPolarHBondContact CE-OE1 3.25Å; K3-E38 HydrophobicContact CG-CB 4.37Å; K3-E38 IonicContact NZ-OE1 3.59Å; V4-E38 PolarHBondContact N-O 3.04Å
39V98.7Very high98.2Very high33 Ų3368 Ų6820%0.233%0.333CS..EExtended strand (participates in β ladder)trans-113.7124.5170.1177.10000109.5V4 I27 Y30 Q31V4-V39 HydrophobicContact CB-CG2 4.22Å; V4-V39 WeakPolarHBondContact O-CA 3.42Å; I27-V39 HydrophobicContact CD1-CG1 3.66Å; I27-V39 HydrophobicContact CD1-CG2 3.98Å; I27-V39 HydrophobicContact CG1-CG1 3.63Å; I27-V39 HydrophobicContact CG1-CG2 4.43Å; Y30-V39 HydrophobicContact CD1-CG2 4.39Å; Q31-V39 HydrophobicContact CG-CB 4.25Å; Q31-V39 HydrophobicContact CG-CG2 3.46Å; Q31-V39 VanDerWaalsContact CG-CG2 3.46Å
40K98.6Very high98.1Very high81 Ų8167.2 Ų67.235%0.35233%0.327SS..EExtended strand (participates in β ladder)trans-112.1120.8171.5-175.6169.5-170.6168.20110.4V4 L5 Y6 I42 E86V4-K40 PolarHBondContact O-N 2.91Å; L5-K40 WeakPolarHBondContact CA-O 3.48Å; L5-K40 HydrophobicContact CD2-CB 3.86Å; L5-K40 HydrophobicContact CD2-CD 4.41Å; L5-K40 HydrophobicContact CD2-CG 4.4Å; Y6-K40 PolarHBondContact N-O 3.15Å; K40-I42 HydrophobicContact CG-CG1 4.48Å; K40-E86 HydrophobicContact CD-CG 4.49Å; K40-E86 WeakPolarHBondContact CD-OE1 3.48Å; K40-E86 WeakPolarHBondContact CE-OE1 3.4Å; K40-E86 IonicContact NZ-OE1 3.73Å; K40-E86 PolarHBondContact NZ-OE1 3.06Å
41H98.7Very high98.1Very high101 Ų10171.6 Ų71.647%0.46835%0.354SS..EExtended strand (participates in β ladder)trans-84.2127.7173-177.9-155.8000110.3Y6 T8Y6-H41 HydrophobicContact CD1-CB 4.16Å; Y6-H41 AromaticContact CD1-CD2 3.39Å; Y6-H41 WeakPolarHBondContact CD1-CD2 3.21Å; Y6-H41 AromaticContact CD1-CG 3.8Å; Y6-H41 AromaticContact CE1-CD2 3.85Å; Y6-H41 CarbonylContact O-C 3.35Å; Y6-H41 WeakPolarHBondContact O-CA 3.5Å; Y6-H41 PolarHBondContact O-CD2 2.96Å; T8-H41 WeakPolarHBondContact CG2-NE2 3.15Å; T8-H41 PolarHBondContact OG1-NE2 2.95Å
42I98.7Very high98.1Very high5 Ų570.2 Ų70.23%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-120.2104.5173.6-56168.2000107.2L5 Y6 I7 T8 K40 L44 E86L5-I42 HydrophobicContact CB-CD1 4.18Å; L5-I42 HydrophobicContact CD1-CD1 3.84Å; L5-I42 HydrophobicContact CD2-CD1 3.97Å; L5-I42 HydrophobicContact CG-CD1 4.19Å; Y6-I42 PolarHBondContact O-N 3.37Å; I7-I42 WeakPolarHBondContact CA-O 3.23Å; I7-I42 HydrophobicContact CG1-CB 4.47Å; I7-I42 HydrophobicContact CG1-CD1 4.21Å; T8-I42 PolarHBondContact N-O 3.37Å; K40-I42 HydrophobicContact CG-CG1 4.48Å; I42-L44 HydrophobicContact CG2-CD2 3.76Å; I42-E86 HydrophobicContact CD1-CG 4.15Å; I42-E86 WeakPolarHBondContact CD1-OE2 3.31Å
43D98.8Very high98.1Very high37 Ų3766.3 Ų66.320%0.19833%0.332CS..EExtended strand (participates in β ladder)trans-86.9111.1171.2-170.1-23.8000109.9T8 F45 E46 T47T8-D43 WeakPolarHBondContact OG1-CA 3.38Å; D43-F45 PolarHBondContact O-N 3.26Å; D43-F45 PolarHBondContact OD1-N 3.38Å; D43-E46 HydrophobicContact CB-CB 4.1Å; D43-E46 HydrophobicContact CB-CG 4.24Å; D43-E46 PolarHBondContact O-N 2.89Å; D43-E46 VanDerWaalsContact O-N 3.16Å; D43-T47 WeakPolarHBondContact O-CB 3.47Å; D43-T47 PolarHBondContact O-N 3.07Å; D43-T47 PolarHBondContact O-OG1 2.76Å
44L98.8Very high98.1Very high3 Ų368.9 Ų68.92%0.01634%0.342CS..THydrogen-bonded Turntrans-71.6-11.6-177.4-58.5-173.8000113.6I7 T8 A9 I42 I49 V107 V108 Y111I7-L44 HydrophobicContact CG2-CD1 3.68Å; I7-L44 HydrophobicContact CG2-CD2 3.95Å; I7-L44 HydrophobicContact CG2-CG 3.82Å; T8-L44 WeakPolarHBondContact O-CB 3.38Å; T8-L44 WeakPolarHBondContact O-CG 3.4Å; T8-L44 PolarHBondContact O-N 2.93Å; A9-L44 HydrophobicContact CB-CB 4.44Å; A9-L44 HydrophobicContact CB-CD1 4.17Å; I42-L44 HydrophobicContact CG2-CD2 3.76Å; L44-I49 HydrophobicContact CB-CD1 4.09Å; L44-I49 HydrophobicContact CD2-CD1 3.61Å; L44-I49 HydrophobicContact CG-CD1 4.34Å; L44-V107 HydrophobicContact CB-CB 4.17Å; L44-V107 HydrophobicContact CB-CG2 3.83Å; L44-V108 HydrophobicContact CD1-CG2 4.17Å; L44-Y111 HydrophobicContact CD1-CG 4.17Å; L44-Y111 HydrophobicContact CD2-CD2 3.47Å; L44-Y111 VanDerWaalsContact CD2-CD2 3.47Å; L44-Y111 HydrophobicContact CD2-CE2 3.98Å; L44-Y111 HydrophobicContact CD2-CG 3.87Å
45F98.3Very high98.1Very high81 Ų8168.4 Ų68.436%0.35534%0.341SS..THydrogen-bonded Turntrans-89.4-20.3170.9-82-89.9000113.1A9 P11 D43 W100 P105 V107A9-F45 HydrophobicContact CB-CE2 4.5Å; P11-F45 HydrophobicContact CB-CD1 4.37Å; P11-F45 HydrophobicContact CB-CE1 4.38Å; D43-F45 PolarHBondContact O-N 3.26Å; D43-F45 PolarHBondContact OD1-N 3.38Å; F45-W100 AromaticContact CZ-CH2 3.89Å; F45-W100 HydrophobicContact CZ-CH2 3.89Å; F45-W100 HydrophobicContact CZ-CZ3 4.04Å; F45-P105 HydrophobicContact CE2-CB 4.19Å; F45-P105 HydrophobicContact CE2-CG 4.48Å; F45-P105 HydrophobicContact CZ-CB 4.1Å; F45-V107 HydrophobicContact CD2-CG2 4.18Å; F45-V107 HydrophobicContact CE2-CG2 3.84Å; F45-V107 HydrophobicContact CZ-CG2 4.2Å
46E98.1Very high98.2Very high161 Ų16163.6 Ų63.675%0.75231%0.31SS*.THydrogen-bonded Turntrans-102.4-10.6176.2-61.2-63.3154.700112.7D43D43-E46 HydrophobicContact CB-CB 4.1Å; D43-E46 HydrophobicContact CB-CG 4.24Å; D43-E46 PolarHBondContact O-N 2.89Å; D43-E46 VanDerWaalsContact O-N 3.16Å
47T95.9Very high98.1Very high38 Ų3862.6 Ų62.623%0.23330%0.304CS..SBendtrans-94.5129.4-179.4-60.20000111D43 I49D43-T47 WeakPolarHBondContact O-CB 3.47Å; D43-T47 PolarHBondContact O-N 3.07Å; D43-T47 PolarHBondContact O-OG1 2.76Å; T47-I49 HydrophobicContact CG2-CG1 4.04Å; T47-I49 PolarHBondContact O-N 2.65Å
48Y97.2Very high98.1Very high121 Ų12163.6 Ų63.648%0.47531%0.311SS..  trans-70.8116.2167.5178.7-119.8000110.7P50 R79Y48-P50 HydrophobicContact CD1-CG 4.32Å; Y48-P50 HydrophobicContact CE1-CG 3.71Å; Y48-R79 HydrophobicContact CD1-CG 4.07Å; Y48-R79 HydrophobicContact CE1-CG 4.44Å; Y48-R79 PolarHBondContact O-NE 2.97Å
49I98.2Very high98.1Very high19 Ų1959.3 Ų59.310%0.09729%0.291CS..  trans-120.8104.3178-55.1164.2000107.2L44 T47 V51 I83 A110 Y111L44-I49 HydrophobicContact CB-CD1 4.09Å; L44-I49 HydrophobicContact CD2-CD1 3.61Å; L44-I49 HydrophobicContact CG-CD1 4.34Å; T47-I49 HydrophobicContact CG2-CG1 4.04Å; T47-I49 PolarHBondContact O-N 2.65Å; I49-V51 PolarHBondContact O-N 3.13Å; I49-I83 HydrophobicContact CB-CD1 4.41Å; I49-I83 HydrophobicContact CG1-CD1 4.26Å; I49-I83 HydrophobicContact CG2-CD1 4.16Å; I49-A110 HydrophobicContact CG2-CB 3.82Å; I49-Y111 HydrophobicContact CD1-CD2 4.3Å
50P98.2Very high97.9Very high2 Ų261.7 Ų61.71%0.01330%0.297CS..  trans-55.9134.5173.5-22.831.8000110.6Y48 K76 R79 L80Y48-P50 HydrophobicContact CD1-CG 4.32Å; Y48-P50 HydrophobicContact CE1-CG 3.71Å; P50-K76 HydrophobicContact CB-CB 4.09Å; P50-K76 HydrophobicContact CB-CG 4.14Å; P50-K76 HydrophobicContact CG-CB 4.34Å; P50-K76 HydrophobicContact CG-CG 4.47Å; P50-R79 HydrophobicContact CG-CB 3.86Å; P50-R79 HydrophobicContact CG-CG 3.75Å; P50-L80 HydrophobicContact CB-CD1 4.41Å; P50-L80 HydrophobicContact CB-CD2 4.09Å; P50-L80 HydrophobicContact CB-CG 4.05Å; P50-L80 HydrophobicContact CG-CD2 4.33Å; P50-L80 HydrophobicContact CG-CG 4.16Å
51V98.1Very high97.8Very high92 Ų9259.2 Ų59.256%0.55829%0.294SS*.  trans-82.2144.1168.3179.30000108.1I49 D53 A110I49-V51 PolarHBondContact O-N 3.13Å; V51-D53 PolarHBondContact O-N 3.04Å; V51-A110 HydrophobicContact CG2-CB 4.35Å
52I98.1Very high97.7Very high56 Ų5656.3 Ų56.329%0.28728%0.28SS..  trans-62.4113.2171.5-61.4-179.8000108.7V56 L57 W60 D113I52-V56 HydrophobicContact CG1-CG1 4.35Å; I52-V56 HydrophobicContact CG2-CG1 4.32Å; I52-L57 HydrophobicContact CG2-CD1 4.48Å; I52-L57 HydrophobicContact CG2-CD2 3.78Å; I52-L57 HydrophobicContact CG2-CG 3.92Å; I52-W60 HydrophobicContact CD1-CH2 3.77Å; I52-W60 HydrophobicContact CD1-CZ3 4.25Å; I52-W60 HydrophobicContact CG1-CH2 4.26Å; I52-D113 HydrophobicContact CD1-CB 3.78Å; I52-D113 HydrophobicContact CG1-CB 4.2Å
53D98.2Very high97.5Very high57 Ų5761.1 Ų61.131%0.30530%0.304SS..  trans-135.1-167.917867.117.1000111V51 D55 V56 L57 K76V51-D53 PolarHBondContact O-N 3.04Å; D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 3.03Å; D53-D55 PolarHBondContact OD1-N 3.12Å; D53-V56 PolarHBondContact O-N 3.46Å; D53-V56 PolarHBondContact OD1-N 2.98Å; D53-V56 VanDerWaalsContact OD1-N 3.13Å; D53-L57 WeakPolarHBondContact O-CG 3.32Å; D53-L57 PolarHBondContact O-N 3.02Å; D53-K76 IonicContact OD1-NZ 3.46Å; D53-K76 PolarHBondContact OD1-NZ 2.89Å; D53-K76 IonicContact OD2-NZ 2.66Å; D53-K76 PolarHBondContact OD2-NZ 2.98Å
54K98.1Very high97.1Very high163 Ų16363.8 Ų63.871%0.70933%0.326SS*.Hα-helixtrans-56.7-41.1-179.6-178.4-175.8172.2-169.40112.4T58K54-T58 VanDerWaalsContact O-CB 3.23Å; K54-T58 WeakPolarHBondContact O-CB 3.49Å; K54-T58 PolarHBondContact O-N 3.38Å; K54-T58 PolarHBondContact O-OG1 2.59Å
55D98Very high96.9Very high44 Ų4469.1 Ų69.124%0.23535%0.354CS..Hα-helixtrans-71.9-39.5-175.8-55.8-29.3000109.7D53 G59 E73 K76D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 3.03Å; D53-D55 PolarHBondContact OD1-N 3.12Å; D55-G59 WeakPolarHBondContact O-CA 3.34Å; D55-G59 PolarHBondContact O-N 2.81Å; D55-E73 HydrophobicContact CB-CG 3.95Å; D55-E73 WeakPolarHBondContact O-CG 3.3Å; D55-K76 HydrophobicContact CB-CD 4.07Å; D55-K76 IonicContact OD2-NZ 2.74Å; D55-K76 PolarHBondContact OD2-NZ 2.92Å
56V98.1Very high96.7Very high0 Ų068.6 Ų68.60%037%0.372CS..Hα-helixtrans-61.8-50.2174.4176.70000111.1I52 D53 T58 G59 W60 K76 L80I52-V56 HydrophobicContact CG1-CG1 4.35Å; I52-V56 HydrophobicContact CG2-CG1 4.32Å; D53-V56 PolarHBondContact O-N 3.46Å; D53-V56 PolarHBondContact OD1-N 2.98Å; D53-V56 VanDerWaalsContact OD1-N 3.13Å; V56-T58 PolarHBondContact O-N 2.69Å; V56-G59 PolarHBondContact O-N 3.39Å; V56-W60 HydrophobicContact CG1-CD2 4.03Å; V56-W60 HydrophobicContact CG1-CE3 4.38Å; V56-W60 HydrophobicContact CG1-CH2 4.17Å; V56-W60 HydrophobicContact CG1-CZ2 3.77Å; V56-W60 HydrophobicContact CG1-CZ3 4.45Å; V56-W60 PolarHBondContact O-N 3.14Å; V56-K76 HydrophobicContact CG2-CB 3.92Å; V56-K76 HydrophobicContact CG2-CD 4.07Å; V56-L80 HydrophobicContact CB-CD1 4.32Å; V56-L80 HydrophobicContact CG1-CD1 3.49Å; V56-L80 VanDerWaalsContact CG1-CD1 3.49Å; V56-L80 HydrophobicContact CG2-CD1 3.8Å
57L97.5Very high96.6Very high101 Ų10165.9 Ų65.953%0.52936%0.359SS..Hα-helixtrans-65.6-40.8-178.2-67.6177.8000112.2I52 D53 W60 G61I52-L57 HydrophobicContact CG2-CD1 4.48Å; I52-L57 HydrophobicContact CG2-CD2 3.78Å; I52-L57 HydrophobicContact CG2-CG 3.92Å; D53-L57 WeakPolarHBondContact O-CG 3.32Å; D53-L57 PolarHBondContact O-N 3.02Å; L57-W60 HydrophobicContact CD2-CE3 4.19Å; L57-W60 HydrophobicContact CD2-CZ3 4.33Å; L57-G61 PolarHBondContact O-N 3.39Å; L57-G61 VanDerWaalsContact O-N 3.15Å
58T97.7Very high96.7Very high51 Ų5170.2 Ų70.231%0.31339%0.386SS..Hα-helixtrans-66.1-42.2175.4-53.10000110.3K54 V56 G61 K62 E73K54-T58 VanDerWaalsContact O-CB 3.23Å; K54-T58 WeakPolarHBondContact O-CB 3.49Å; K54-T58 PolarHBondContact O-N 3.38Å; K54-T58 PolarHBondContact O-OG1 2.59Å; V56-T58 PolarHBondContact O-N 2.69Å; T58-G61 PolarHBondContact O-N 3.47Å; T58-K62 HydrophobicContact CG2-CD 4.18Å; T58-K62 HydrophobicContact CG2-CG 4.46Å; T58-K62 WeakPolarHBondContact O-CG 3.28Å; T58-K62 PolarHBondContact O-N 3.02Å; T58-E73 WeakPolarHBondContact CB-OE1 3.36Å; T58-E73 WeakPolarHBondContact CG2-OE1 3.46Å
59G97.4Very high96.7Very high0 Ų065.6 Ų65.60%037%0.369CS..Hα-helixtrans-62-44.8178.400000113D55 V56 G61 K62 M63D55-G59 WeakPolarHBondContact O-CA 3.34Å; D55-G59 PolarHBondContact O-N 2.81Å; V56-G59 PolarHBondContact O-N 3.39Å; G59-G61 VanDerWaalsContact C-N 3.35Å; G59-G61 PolarHBondContact O-N 2.98Å; G59-K62 PolarHBondContact O-N 3.25Å; G59-M63 WeakPolarHBondContact O-CB 3.24Å; G59-M63 WeakPolarHBondContact O-CG 3.24Å; G59-M63 PolarHBondContact O-N 2.92Å
60W95.5Very high96.7Very high83 Ų8368 Ų6831%0.31439%0.385SS..Hα-helixtrans-60.7-42.5173.3-71.8-11.8000112.6I52 V56 L57 M63 S64 L80 I117I52-W60 HydrophobicContact CD1-CH2 3.77Å; I52-W60 HydrophobicContact CD1-CZ3 4.25Å; I52-W60 HydrophobicContact CG1-CH2 4.26Å; V56-W60 HydrophobicContact CG1-CD2 4.03Å; V56-W60 HydrophobicContact CG1-CE3 4.38Å; V56-W60 HydrophobicContact CG1-CH2 4.17Å; V56-W60 HydrophobicContact CG1-CZ2 3.77Å; V56-W60 HydrophobicContact CG1-CZ3 4.45Å; V56-W60 PolarHBondContact O-N 3.14Å; L57-W60 HydrophobicContact CD2-CE3 4.19Å; L57-W60 HydrophobicContact CD2-CZ3 4.33Å; W60-M63 PolarHBondContact O-N 3.47Å; W60-S64 PolarHBondContact O-N 3.35Å; W60-S64 VanDerWaalsContact O-N 3.09Å; W60-L80 HydrophobicContact CZ2-CD1 4.21Å; W60-I117 HydrophobicContact CH2-CD1 3.64Å; W60-I117 HydrophobicContact CZ2-CD1 3.61Å
61G95.5Very high96.7Very high29 Ų2974.8 Ų74.830%0.29942%0.421SS..Hα-helixtrans-59.3-50.5174.800000112.1L57 T58 G59 M63 S64 N65L57-G61 PolarHBondContact O-N 3.39Å; L57-G61 VanDerWaalsContact O-N 3.15Å; T58-G61 PolarHBondContact O-N 3.47Å; G59-G61 VanDerWaalsContact C-N 3.35Å; G59-G61 PolarHBondContact O-N 2.98Å; G61-M63 PolarHBondContact O-N 3.33Å; G61-S64 PolarHBondContact O-N 3.27Å; G61-S64 PolarHBondContact O-OG 3.41Å; G61-N65 PolarHBondContact O-N 2.88Å
62K97.5Very high96.6Very high39 Ų3975 Ų7517%0.1742%0.419CS..Hα-helixtrans-60.1-44.1177.9-76.8176.3173.7174.40112.8T58 G59 S64 N65 G66 E67 L69 E73T58-K62 HydrophobicContact CG2-CD 4.18Å; T58-K62 HydrophobicContact CG2-CG 4.46Å; T58-K62 WeakPolarHBondContact O-CG 3.28Å; T58-K62 PolarHBondContact O-N 3.02Å; G59-K62 PolarHBondContact O-N 3.25Å; K62-S64 VanDerWaalsContact C-N 3.29Å; K62-S64 PolarHBondContact O-N 2.99Å; K62-N65 CarbonylContact O-C 3.51Å; K62-N65 PolarHBondContact O-N 3.08Å; K62-N65 VanDerWaalsContact O-N 3.08Å; K62-G66 PolarHBondContact O-N 3.31Å; K62-E67 HydrophobicContact CB-CB 3.81Å; K62-E67 HydrophobicContact CG-CB 3.87Å; K62-E67 PolarHBondContact O-N 3.22Å; K62-L69 HydrophobicContact CB-CD2 3.53Å; K62-L69 HydrophobicContact CD-CD2 3.77Å; K62-L69 HydrophobicContact CG-CD2 4.33Å; K62-E73 IonicContact NZ-OE1 2.86Å; K62-E73 PolarHBondContact NZ-OE1 2.98Å; K62-E73 IonicContact NZ-OE2 2.75Å; K62-E73 PolarHBondContact NZ-OE2 3.14Å
63M93.8Very high96.6Very high106 Ų10672.9 Ų72.952%0.52241%0.408SS..Hα-helixtrans-59.3-40.1176-77.1-174.568.900112.1G59 W60 G61 N65 G66 L69 V77G59-M63 WeakPolarHBondContact O-CB 3.24Å; G59-M63 WeakPolarHBondContact O-CG 3.24Å; G59-M63 PolarHBondContact O-N 2.92Å; W60-M63 PolarHBondContact O-N 3.47Å; G61-M63 PolarHBondContact O-N 3.33Å; M63-N65 PolarHBondContact O-N 3.27Å; M63-G66 PolarHBondContact O-N 2.97Å; M63-L69 HydrophobicContact CG-CD1 4.05Å; M63-L69 HydrophobicContact CG-CD2 4.45Å; M63-L69 HydrophobicContact SD-CD1 4.34Å; M63-V77 HydrophobicContact SD-CB 4.41Å; M63-V77 HydrophobicContact SD-CG1 3.37Å; M63-V77 WeakPolarHBondContact SD-CG1 3.48Å
64S91Very high96.6Very high94 Ų9474.4 Ų74.466%0.65741%0.413SS*.Hα-helixtrans-66.6-26.8177.274.60000113.5W60 G61 K62W60-S64 PolarHBondContact O-N 3.35Å; W60-S64 VanDerWaalsContact O-N 3.09Å; G61-S64 PolarHBondContact O-N 3.27Å; G61-S64 PolarHBondContact O-OG 3.41Å; K62-S64 VanDerWaalsContact C-N 3.29Å; K62-S64 PolarHBondContact O-N 2.99Å
65N94.7Very high96.6Very high114 Ų11471.1 Ų71.161%0.6140%0.402SS*.Hα-helixtrans-95.7-5.1179.1-66.5-22000113.8G61 K62 M63 E67G61-N65 PolarHBondContact O-N 2.88Å; K62-N65 CarbonylContact O-C 3.51Å; K62-N65 PolarHBondContact O-N 3.08Å; K62-N65 VanDerWaalsContact O-N 3.08Å; M63-N65 PolarHBondContact O-N 3.27Å; N65-E67 HydrophobicContact CB-CG 3.94Å; N65-E67 VanDerWaalsContact CB-OE1 3.3Å; N65-E67 WeakPolarHBondContact CB-OE1 3.47Å; N65-E67 PolarHBondContact ND2-OE1 3.48Å
66G93.8Very high96.6Very high71 Ų7170.2 Ų70.273%0.73240%0.395SS*.THydrogen-bonded Turntrans71.825.5-173.800000114.3K62 M63K62-G66 PolarHBondContact O-N 3.31Å; M63-G66 PolarHBondContact O-N 2.97Å
67E96.4Very high96.6Very high104 Ų10470.3 Ų70.349%0.48640%0.396SS..PPolyproline II helixtrans-86.9156.4178.3-65175.9-114.700112.3K62 N65K62-E67 HydrophobicContact CB-CB 3.81Å; K62-E67 HydrophobicContact CG-CB 3.87Å; K62-E67 PolarHBondContact O-N 3.22Å; N65-E67 HydrophobicContact CB-CG 3.94Å; N65-E67 VanDerWaalsContact CB-OE1 3.3Å; N65-E67 WeakPolarHBondContact CB-OE1 3.47Å; N65-E67 PolarHBondContact ND2-OE1 3.48Å
68T96.8Very high96.6Very high129 Ų12967.7 Ų67.779%0.79139%0.386SS*.PPolyproline II helixtrans-75.5133.8178.4-51.30000111.9
69L97.9Very high96.6Very high24 Ų2468.1 Ų68.113%0.12638%0.382CS..PPolyproline II helixtrans-83.6148174.1-59-172.2000111.3K62 M63 E73 Q74K62-L69 HydrophobicContact CB-CD2 3.53Å; K62-L69 HydrophobicContact CD-CD2 3.77Å; K62-L69 HydrophobicContact CG-CD2 4.33Å; M63-L69 HydrophobicContact CG-CD1 4.05Å; M63-L69 HydrophobicContact CG-CD2 4.45Å; M63-L69 HydrophobicContact SD-CD1 4.34Å; L69-E73 HydrophobicContact CB-CB 4.11Å; L69-E73 HydrophobicContact CD2-CB 4.28Å; L69-Q74 HydrophobicContact CB-CB 4.03Å; L69-Q74 HydrophobicContact CD1-CB 4.27Å
70T98.3Very high96.7Very high69 Ų6968.3 Ų68.342%0.42338%0.383SS..PPolyproline II helixtrans-70.5163.8160.361.90000110.1D72 E73 Q74T70-D72 VanDerWaalsContact C-N 3.3Å; T70-D72 PolarHBondContact O-N 2.97Å; T70-E73 PolarHBondContact N-OE2 2.7Å; T70-E73 PolarHBondContact O-N 3.47Å; T70-E73 WeakPolarHBondContact OG1-CB 3.33Å; T70-E73 WeakPolarHBondContact OG1-CG 3.25Å; T70-E73 PolarHBondContact OG1-N 3.48Å; T70-E73 PolarHBondContact OG1-OE2 3.48Å; T70-Q74 WeakPolarHBondContact O-CB 3.43Å; T70-Q74 PolarHBondContact O-N 3.31Å
71D98.1Very high96.8Very high145 Ų14566.5 Ų66.578%0.77538%0.383SS*.Hα-helixtrans-58.8-40.8-179.4-63.9-19.8000112.3Q74 M75D71-Q74 PolarHBondContact O-N 3.28Å; D71-M75 VanDerWaalsContact O-CB 3.3Å; D71-M75 WeakPolarHBondContact O-CB 3.37Å; D71-M75 PolarHBondContact O-N 3.42Å
72D96.9Very high96.9Very high97 Ų9769.6 Ų69.652%0.51939%0.393SS..Hα-helixtrans-67.7-43178.7-71.5-28.3000112.4T70 K76T70-D72 VanDerWaalsContact C-N 3.3Å; T70-D72 PolarHBondContact O-N 2.97Å; D72-K76 WeakPolarHBondContact O-CG 3.5Å; D72-K76 PolarHBondContact O-N 2.9Å; D72-K76 VanDerWaalsContact O-N 3.14Å
73E98.3Very high97Very high10 Ų1067.8 Ų67.85%0.04739%0.385CS..Hα-helixtrans-62.1-47174.7-68.9165.2153.900110.3D55 T58 K62 L69 T70 K76 V77D55-E73 HydrophobicContact CB-CG 3.95Å; D55-E73 WeakPolarHBondContact O-CG 3.3Å; T58-E73 WeakPolarHBondContact CB-OE1 3.36Å; T58-E73 WeakPolarHBondContact CG2-OE1 3.46Å; K62-E73 IonicContact NZ-OE1 2.86Å; K62-E73 PolarHBondContact NZ-OE1 2.98Å; K62-E73 IonicContact NZ-OE2 2.75Å; K62-E73 PolarHBondContact NZ-OE2 3.14Å; L69-E73 HydrophobicContact CB-CB 4.11Å; L69-E73 HydrophobicContact CD2-CB 4.28Å; T70-E73 PolarHBondContact N-OE2 2.7Å; T70-E73 PolarHBondContact O-N 3.47Å; T70-E73 WeakPolarHBondContact OG1-CB 3.33Å; T70-E73 WeakPolarHBondContact OG1-CG 3.25Å; T70-E73 PolarHBondContact OG1-N 3.48Å; T70-E73 PolarHBondContact OG1-OE2 3.48Å; E73-K76 PolarHBondContact O-N 2.91Å; E73-V77 WeakPolarHBondContact O-CB 3.2Å; E73-V77 VanDerWaalsContact O-CG2 3.25Å; E73-V77 WeakPolarHBondContact O-CG2 3.29Å; E73-V77 PolarHBondContact O-N 3.41Å
74Q97.9Very high97.2Very high90 Ų9063.1 Ų63.142%0.42136%0.362SS..Hα-helixtrans-61.2-47.8179.7-177.264.47000111.2L69 T70 D71 K76 S78L69-Q74 HydrophobicContact CB-CB 4.03Å; L69-Q74 HydrophobicContact CD1-CB 4.27Å; T70-Q74 WeakPolarHBondContact O-CB 3.43Å; T70-Q74 PolarHBondContact O-N 3.31Å; D71-Q74 PolarHBondContact O-N 3.28Å; Q74-K76 PolarHBondContact O-N 2.96Å; Q74-S78 PolarHBondContact NE2-OG 2.85Å; Q74-S78 WeakPolarHBondContact O-CB 3.42Å; Q74-S78 PolarHBondContact O-N 2.89Å; Q74-S78 PolarHBondContact O-OG 3.17Å
75M97.9Very high97.6Very high94 Ų9463.1 Ų63.146%0.46335%0.352SS..Hα-helixtrans-57-49.9179.3178.7-170.664.200111.3D71 R79D71-M75 VanDerWaalsContact O-CB 3.3Å; D71-M75 WeakPolarHBondContact O-CB 3.37Å; D71-M75 PolarHBondContact O-N 3.42Å; M75-R79 WeakPolarHBondContact O-CB 3.49Å; M75-R79 PolarHBondContact O-N 3.2Å
76K98.4Very high97.8Very high24 Ų2459.1 Ų59.110%0.10433%0.329CS..Hα-helixtrans-68.1-47.4-177.3-68.9176.3-177.1171.20111.8P50 D53 D55 V56 D72 E73 Q74 R79 L80P50-K76 HydrophobicContact CB-CB 4.09Å; P50-K76 HydrophobicContact CB-CG 4.14Å; P50-K76 HydrophobicContact CG-CB 4.34Å; P50-K76 HydrophobicContact CG-CG 4.47Å; D53-K76 IonicContact OD1-NZ 3.46Å; D53-K76 PolarHBondContact OD1-NZ 2.89Å; D53-K76 IonicContact OD2-NZ 2.66Å; D53-K76 PolarHBondContact OD2-NZ 2.98Å; D55-K76 HydrophobicContact CB-CD 4.07Å; D55-K76 IonicContact OD2-NZ 2.74Å; D55-K76 PolarHBondContact OD2-NZ 2.92Å; V56-K76 HydrophobicContact CG2-CB 3.92Å; V56-K76 HydrophobicContact CG2-CD 4.07Å; D72-K76 WeakPolarHBondContact O-CG 3.5Å; D72-K76 PolarHBondContact O-N 2.9Å; D72-K76 VanDerWaalsContact O-N 3.14Å; E73-K76 PolarHBondContact O-N 2.91Å; Q74-K76 PolarHBondContact O-N 2.96Å; K76-R79 PolarHBondContact O-N 3.24Å; K76-L80 WeakPolarHBondContact O-CG 3.33Å; K76-L80 PolarHBondContact O-N 3.47Å
77V97.7Very high98Very high2 Ų255.8 Ų55.81%0.01230%0.295CS..Hα-helixtrans-68.8-37.5-176.7-178.80000111.5M63 E73 S81M63-V77 HydrophobicContact SD-CB 4.41Å; M63-V77 HydrophobicContact SD-CG1 3.37Å; M63-V77 WeakPolarHBondContact SD-CG1 3.48Å; E73-V77 WeakPolarHBondContact O-CB 3.2Å; E73-V77 VanDerWaalsContact O-CG2 3.25Å; E73-V77 WeakPolarHBondContact O-CG2 3.29Å; E73-V77 PolarHBondContact O-N 3.41Å; V77-S81 WeakPolarHBondContact O-CB 3.39Å; V77-S81 PolarHBondContact O-N 3.12Å; V77-S81 PolarHBondContact O-OG 2.91Å
78S97.4Very high98.1Very high46 Ų4652.7 Ų52.732%0.32228%0.281SS..Hα-helixtrans-60.3-48.7170.5-75.30000111.3Q74 L80 S81 D82Q74-S78 PolarHBondContact NE2-OG 2.85Å; Q74-S78 WeakPolarHBondContact O-CB 3.42Å; Q74-S78 PolarHBondContact O-N 2.89Å; Q74-S78 PolarHBondContact O-OG 3.17Å; S78-L80 VanDerWaalsContact C-N 3.34Å; S78-L80 PolarHBondContact O-N 2.99Å; S78-S81 WeakPolarHBondContact O-CA 3.47Å; S78-S81 WeakPolarHBondContact O-CB 3.35Å; S78-S81 PolarHBondContact O-N 3.43Å; S78-D82 PolarHBondContact O-N 3.46Å
79R98.3Very high98.2Very high60 Ų6049 Ų4923%0.22626%0.261CS..Hα-helixtrans-62.7-40.3-179.2178.762.4-166.5136.20.8112.7Y48 P50 M75 K76 S81 D82 I83Y48-R79 HydrophobicContact CD1-CG 4.07Å; Y48-R79 HydrophobicContact CE1-CG 4.44Å; Y48-R79 PolarHBondContact O-NE 2.97Å; P50-R79 HydrophobicContact CG-CB 3.86Å; P50-R79 HydrophobicContact CG-CG 3.75Å; M75-R79 WeakPolarHBondContact O-CB 3.49Å; M75-R79 PolarHBondContact O-N 3.2Å; K76-R79 PolarHBondContact O-N 3.24Å; R79-S81 VanDerWaalsContact C-N 3.31Å; R79-D82 PolarHBondContact O-N 2.89Å; R79-I83 HydrophobicContact CG-CD1 4.34Å; R79-I83 VanDerWaalsContact CZ-CG1 3.47Å; R79-I83 WeakPolarHBondContact O-CG1 3.2Å; R79-I83 PolarHBondContact O-N 3.29Å; R79-I83 VanDerWaalsContact O-N 3.08Å
80L98.4Very high98.2Very high4 Ų447.9 Ų47.92%0.02126%0.255CS..Hα-helixtrans-62.2-40.2173.6-70.6171.5000111.6P50 V56 W60 K76 S78 I83 L84 A114P50-L80 HydrophobicContact CB-CD1 4.41Å; P50-L80 HydrophobicContact CB-CD2 4.09Å; P50-L80 HydrophobicContact CB-CG 4.05Å; P50-L80 HydrophobicContact CG-CD2 4.33Å; P50-L80 HydrophobicContact CG-CG 4.16Å; V56-L80 HydrophobicContact CB-CD1 4.32Å; V56-L80 HydrophobicContact CG1-CD1 3.49Å; V56-L80 VanDerWaalsContact CG1-CD1 3.49Å; V56-L80 HydrophobicContact CG2-CD1 3.8Å; W60-L80 HydrophobicContact CZ2-CD1 4.21Å; K76-L80 WeakPolarHBondContact O-CG 3.33Å; K76-L80 PolarHBondContact O-N 3.47Å; S78-L80 VanDerWaalsContact C-N 3.34Å; S78-L80 PolarHBondContact O-N 2.99Å; L80-I83 PolarHBondContact O-N 2.84Å; L80-L84 WeakPolarHBondContact O-CB 3.38Å; L80-L84 PolarHBondContact O-N 3.41Å; L80-A114 HydrophobicContact CD2-CB 3.47Å; L80-A114 VanDerWaalsContact CD2-CB 3.47Å
81S97.8Very high98.3Very high45 Ų4547.5 Ų47.532%0.31525%0.25SS..Hα-helixtrans-62.8-42175.2-54.60000111.4V77 S78 R79 I83 L84 E85V77-S81 WeakPolarHBondContact O-CB 3.39Å; V77-S81 PolarHBondContact O-N 3.12Å; V77-S81 PolarHBondContact O-OG 2.91Å; S78-S81 WeakPolarHBondContact O-CA 3.47Å; S78-S81 WeakPolarHBondContact O-CB 3.35Å; S78-S81 PolarHBondContact O-N 3.43Å; R79-S81 VanDerWaalsContact C-N 3.31Å; S81-I83 PolarHBondContact O-N 3.01Å; S81-L84 WeakPolarHBondContact O-CB 3.45Å; S81-L84 PolarHBondContact O-N 2.91Å; S81-E85 WeakPolarHBondContact O-CG 3.49Å; S81-E85 PolarHBondContact O-N 3.48Å
82D98.4Very high98.3Very high95 Ų9542.1 Ų42.151%0.50822%0.22SC..Hα-helixtrans-62.3-43.5177.2-63.4-25.5000112S78 R79 L84 E85 E86S78-D82 PolarHBondContact O-N 3.46Å; R79-D82 PolarHBondContact O-N 2.89Å; D82-L84 VanDerWaalsContact C-N 3.34Å; D82-E85 PolarHBondContact O-N 2.95Å; D82-E86 VanDerWaalsContact O-CB 3.32Å; D82-E86 WeakPolarHBondContact O-CB 3.42Å; D82-E86 PolarHBondContact O-N 3.14Å
83I98.7Very high98.4Very high1 Ų137.5 Ų37.51%0.00520%0.195CC..Hα-helixtrans-61.5-44.7176.3-68.4167.4000110.4I49 R79 L80 S81 E86 F87 Y111 A114 I115I49-I83 HydrophobicContact CB-CD1 4.41Å; I49-I83 HydrophobicContact CG1-CD1 4.26Å; I49-I83 HydrophobicContact CG2-CD1 4.16Å; R79-I83 HydrophobicContact CG-CD1 4.34Å; R79-I83 VanDerWaalsContact CZ-CG1 3.47Å; R79-I83 WeakPolarHBondContact O-CG1 3.2Å; R79-I83 PolarHBondContact O-N 3.29Å; R79-I83 VanDerWaalsContact O-N 3.08Å; L80-I83 PolarHBondContact O-N 2.84Å; S81-I83 PolarHBondContact O-N 3.01Å; I83-E86 PolarHBondContact O-N 3.36Å; I83-F87 WeakPolarHBondContact O-CB 3.04Å; I83-F87 PolarHBondContact O-N 3.43Å; I83-Y111 HydrophobicContact CG2-CD2 3.87Å; I83-Y111 HydrophobicContact CG2-CE2 3.53Å; I83-A114 HydrophobicContact CB-CB 4.3Å; I83-A114 HydrophobicContact CD1-CB 4.38Å; I83-A114 HydrophobicContact CG2-CB 3.8Å; I83-I115 HydrophobicContact CG2-CG2 4.13Å
84L98.7Very high98.4Very high8 Ų837 Ų374%0.04219%0.193CC..Hα-helixtrans-61.8-49.2178.4172.767.6000111.9L80 S81 D82 E86 F87 L88 I115 I117 K120 T121L80-L84 WeakPolarHBondContact O-CB 3.38Å; L80-L84 PolarHBondContact O-N 3.41Å; S81-L84 WeakPolarHBondContact O-CB 3.45Å; S81-L84 PolarHBondContact O-N 2.91Å; D82-L84 VanDerWaalsContact C-N 3.34Å; L84-E86 VanDerWaalsContact C-N 3.32Å; L84-E86 PolarHBondContact O-N 2.97Å; L84-F87 PolarHBondContact O-N 3.13Å; L84-L88 HydrophobicContact CD1-CD1 4.01Å; L84-L88 HydrophobicContact CD1-CG 4.14Å; L84-L88 HydrophobicContact CG-CD1 3.93Å; L84-L88 HydrophobicContact CG-CG 4.43Å; L84-L88 WeakPolarHBondContact O-CB 2.96Å; L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.24Å; L84-I115 WeakPolarHBondContact CD1-O 3.4Å; L84-I117 HydrophobicContact CD1-CB 4.38Å; L84-I117 HydrophobicContact CD1-CG1 4.27Å; L84-I117 HydrophobicContact CD2-CB 3.96Å; L84-I117 HydrophobicContact CD2-CG1 3.9Å; L84-I117 HydrophobicContact CD2-CG2 4.23Å; L84-K120 HydrophobicContact CD1-CB 4.31Å; L84-K120 HydrophobicContact CD2-CB 3.9Å; L84-K120 HydrophobicContact CD2-CD 4.21Å; L84-K120 HydrophobicContact CD2-CG 3.82Å; L84-T121 HydrophobicContact CD1-CG2 3.78Å
85E98.6Very high98.5Very high94 Ų9432.8 Ų32.844%0.43917%0.173SC..Hα-helixtrans-66.3-36.6-178.7-66.5-61.9155.800111.1S81 D82 L88 S89 K120S81-E85 WeakPolarHBondContact O-CG 3.49Å; S81-E85 PolarHBondContact O-N 3.48Å; D82-E85 PolarHBondContact O-N 2.95Å; E85-L88 PolarHBondContact O-N 3.2Å; E85-S89 WeakPolarHBondContact O-CB 3.45Å; E85-S89 PolarHBondContact O-N 3.24Å; E85-K120 IonicContact OE1-NZ 2.59Å; E85-K120 PolarHBondContact OE1-NZ 2.85Å
86E98.6Very high98.5Very high30 Ų3028.3 Ų28.314%0.1415%0.151CC..Hα-helixtrans-58.6-48.1170.2175.7167.7-87.600111.8L5 K40 I42 D82 I83 L84 S89L5-E86 HydrophobicContact CD1-CG 4.2Å; L5-E86 HydrophobicContact CD2-CG 4.21Å; K40-E86 HydrophobicContact CD-CG 4.49Å; K40-E86 WeakPolarHBondContact CD-OE1 3.48Å; K40-E86 WeakPolarHBondContact CE-OE1 3.4Å; K40-E86 IonicContact NZ-OE1 3.73Å; K40-E86 PolarHBondContact NZ-OE1 3.06Å; I42-E86 HydrophobicContact CD1-CG 4.15Å; I42-E86 WeakPolarHBondContact CD1-OE2 3.31Å; D82-E86 VanDerWaalsContact O-CB 3.32Å; D82-E86 WeakPolarHBondContact O-CB 3.42Å; D82-E86 PolarHBondContact O-N 3.14Å; I83-E86 PolarHBondContact O-N 3.36Å; L84-E86 VanDerWaalsContact C-N 3.32Å; L84-E86 PolarHBondContact O-N 2.97Å; E86-S89 PolarHBondContact O-N 3.48Å; E86-S89 PolarHBondContact O-OG 2.91Å
87F98.8Very high98.6Very high0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-61.9-45.4177.4-170.4-97.2000112.3L5 I7 I83 L84 S89 A90 Y93 F95 Y111 I115 L133 M167L5-F87 HydrophobicContact CD1-CD2 4.22Å; I7-F87 HydrophobicContact CD1-CE2 4.37Å; I83-F87 WeakPolarHBondContact O-CB 3.04Å; I83-F87 PolarHBondContact O-N 3.43Å; L84-F87 PolarHBondContact O-N 3.13Å; F87-S89 VanDerWaalsContact C-N 3.27Å; F87-S89 PolarHBondContact O-N 3.03Å; F87-A90 PolarHBondContact O-N 2.57Å; F87-Y93 HydrophobicContact CD1-CE1 4.05Å; F87-Y93 AromaticContact CD1-CZ 3.81Å; F87-Y93 WeakPolarHBondContact CD1-OH 3.41Å; F87-Y93 AromaticContact CD2-CD1 3.8Å; F87-Y93 HydrophobicContact CD2-CD1 3.8Å; F87-Y93 AromaticContact CD2-CE1 3.43Å; F87-Y93 HydrophobicContact CD2-CE1 3.43Å; F87-Y93 VanDerWaalsContact CD2-CE1 3.43Å; F87-Y93 AromaticContact CD2-CZ 3.99Å; F87-Y93 AromaticContact CE1-CE1 3.92Å; F87-Y93 HydrophobicContact CE1-CE1 3.92Å; F87-Y93 AromaticContact CE1-CE2 3.83Å; F87-Y93 HydrophobicContact CE1-CE2 3.83Å; F87-Y93 AromaticContact CE1-CZ 3.41Å; F87-Y93 VanDerWaalsContact CE1-CZ 3.41Å; F87-Y93 VanDerWaalsContact CE1-OH 3.25Å; F87-Y93 WeakPolarHBondContact CE1-OH 3.43Å; F87-Y93 AromaticContact CE2-CD1 3.36Å; F87-Y93 HydrophobicContact CE2-CD1 3.36Å; F87-Y93 HydrophobicContact CE2-CD2 4.13Å; F87-Y93 AromaticContact CE2-CE1 3.28Å; F87-Y93 HydrophobicContact CE2-CE1 3.28Å; F87-Y93 HydrophobicContact CE2-CE2 4.04Å; F87-Y93 AromaticContact CE2-CG 3.79Å; F87-Y93 HydrophobicContact CE2-CG 3.79Å; F87-Y93 AromaticContact CE2-CZ 3.61Å; F87-Y93 AromaticContact CG-CE1 3.83Å; F87-Y93 HydrophobicContact CG-CE1 3.83Å; F87-Y93 AromaticContact CZ-CD1 3.87Å; F87-Y93 HydrophobicContact CZ-CD1 3.87Å; F87-Y93 AromaticContact CZ-CD2 3.83Å; F87-Y93 HydrophobicContact CZ-CD2 3.83Å; F87-Y93 AromaticContact CZ-CE1 3.54Å; F87-Y93 HydrophobicContact CZ-CE1 3.54Å; F87-Y93 AromaticContact CZ-CE2 3.47Å; F87-Y93 HydrophobicContact CZ-CE2 3.47Å; F87-Y93 VanDerWaalsContact CZ-CE2 3.47Å; F87-Y93 AromaticContact CZ-CG 3.98Å; F87-Y93 HydrophobicContact CZ-CG 3.98Å; F87-Y93 AromaticContact CZ-CZ 3.3Å; F87-Y93 VanDerWaalsContact O-CE1 3.24Å; F87-Y93 WeakPolarHBondContact O-CE1 3.19Å; F87-Y93 PolarHBondContact O-OH 2.89Å; F87-F95 HydrophobicContact CE2-CZ 4.11Å; F87-Y111 AromaticContact CD2-CE1 3.93Å; F87-Y111 HydrophobicContact CD2-CE1 3.93Å; F87-Y111 WeakPolarHBondContact CD2-OH 3.31Å; F87-Y111 HydrophobicContact CE2-CE1 4.24Å; F87-I115 HydrophobicContact CB-CB 4.39Å; F87-I115 HydrophobicContact CB-CG2 3.58Å; F87-I115 HydrophobicContact CD1-CB 3.97Å; F87-I115 HydrophobicContact CD1-CD1 3.94Å; F87-I115 HydrophobicContact CD1-CG2 4.01Å; F87-I115 HydrophobicContact CD2-CD1 4.05Å; F87-I115 HydrophobicContact CD2-CG2 3.98Å; F87-I115 HydrophobicContact CE1-CB 4.41Å; F87-I115 HydrophobicContact CE1-CD1 3.55Å; F87-I115 HydrophobicContact CE2-CD1 3.68Å; F87-I115 HydrophobicContact CG-CB 4.08Å; F87-I115 HydrophobicContact CG-CD1 4.17Å; F87-I115 HydrophobicContact CG-CG2 3.59Å; F87-I115 HydrophobicContact CZ-CD1 3.42Å; F87-I115 VanDerWaalsContact CZ-CD1 3.42Å; F87-L133 HydrophobicContact CD1-CD1 4.37Å; F87-L133 HydrophobicContact CE1-CD1 3.62Å; F87-M167 HydrophobicContact CZ-CE 4.1Å; F87-M167 HydrophobicContact CZ-SD 4.25Å
88L98.7Very high98.6Very high39 Ų3927.5 Ų27.520%0.20415%0.148CC..Hα-helixtrans-63.4-33.7178.5-74.3172.7000112.7L84 E85 A90 K120 T121 L133 K136L84-L88 HydrophobicContact CD1-CD1 4.01Å; L84-L88 HydrophobicContact CD1-CG 4.14Å; L84-L88 HydrophobicContact CG-CD1 3.93Å; L84-L88 HydrophobicContact CG-CG 4.43Å; L84-L88 WeakPolarHBondContact O-CB 2.96Å; L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.24Å; E85-L88 PolarHBondContact O-N 3.2Å; L88-A90 PolarHBondContact O-N 3.32Å; L88-K120 HydrophobicContact CD1-CB 4.38Å; L88-K120 HydrophobicContact CD1-CD 4.35Å; L88-T121 HydrophobicContact CD2-CG2 3.73Å; L88-T121 HydrophobicContact CG-CG2 4.38Å; L88-L133 HydrophobicContact CD2-CD2 3.63Å; L88-K136 PolarHBondContact O-NZ 3.37Å
89S98.4Very high98.7Very high53 Ų5326.4 Ų26.437%0.37114%0.139SC..THydrogen-bonded Turntrans-68.6-13.6-178.477.20000114.8K3 E85 E86 F87K3-S89 PolarHBondContact NZ-OG 2.69Å; E85-S89 WeakPolarHBondContact O-CB 3.45Å; E85-S89 PolarHBondContact O-N 3.24Å; E86-S89 PolarHBondContact O-N 3.48Å; E86-S89 PolarHBondContact O-OG 2.91Å; F87-S89 VanDerWaalsContact C-N 3.27Å; F87-S89 PolarHBondContact O-N 3.03Å
90A98.8Very high98.7Very high0 Ų028.4 Ų28.40%015%0.146CC..  trans-98.7150.7-176.900000112.9K3 L5 F87 L88 Y93 K136K3-A90 HydrophobicContact CG-CB 4.25Å; L5-A90 HydrophobicContact CD1-CB 3.92Å; L5-A90 HydrophobicContact CD2-CB 4.12Å; L5-A90 HydrophobicContact CG-CB 3.51Å; F87-A90 PolarHBondContact O-N 2.57Å; L88-A90 PolarHBondContact O-N 3.32Å; A90-Y93 HydrophobicContact CB-CD1 4.42Å; A90-Y93 HydrophobicContact CB-CE1 3.88Å; A90-K136 PolarHBondContact O-NZ 2.95Å
91D98.7Very high98.7Very high61 Ų6136 Ų3633%0.32619%0.187SC..SBendtrans-93.2-31178.1-51.9-69.2000111.3A2 K3 K136 K137A2-D91 WeakPolarHBondContact CA-OD2 3.47Å; A2-D91 HydrophobicContact CB-CB 4.2Å; K3-D91 PolarHBondContact N-OD2 3.2Å; K3-D91 PolarHBondContact O-N 3.37Å; D91-K136 WeakPolarHBondContact O-CA 3.2Å; D91-K137 PolarHBondContact O-N 2.79Å
92K98.9Very high98.7Very high31 Ų3136.9 Ų36.914%0.13519%0.188CC..EExtended strand (participates in β ladder)trans-131.2143.9-176.1-51.1-176.5-176178.30111.8K3 V4 L5 Y30 K137 F208K3-K92 PolarHBondContact O-N 3.42Å; V4-K92 WeakPolarHBondContact CA-O 3.36Å; V4-K92 HydrophobicContact CB-CB 4.48Å; V4-K92 HydrophobicContact CG1-CB 4.2Å; V4-K92 HydrophobicContact CG2-CB 4.11Å; V4-K92 HydrophobicContact CG2-CD 4.24Å; L5-K92 PolarHBondContact N-O 2.75Å; Y30-K92 HydrophobicContact CE2-CD 4.3Å; Y30-K92 WeakPolarHBondContact OH-CE 3.46Å; Y30-K92 PolarHBondContact OH-NZ 3.31Å; K92-K137 CarbonylContact C-O 3.49Å; K92-K137 WeakPolarHBondContact CA-O 3.43Å; K92-K137 HydrophobicContact CG-CB 4.4Å; K92-F208 HydrophobicContact CB-CE1 3.89Å; K92-F208 HydrophobicContact CB-CZ 4.43Å; K92-F208 HydrophobicContact CD-CD1 3.9Å; K92-F208 HydrophobicContact CD-CE1 3.73Å; K92-F208 HydrophobicContact CG-CE1 4.27Å; K92-F208 PolarHBondContact NZ-O 3.42Å; K92-F208 PolarHBondContact NZ-OXT 3.29Å
93Y98.9Very high98.7Very high0 Ų033.9 Ų33.90%017%0.174CC..EExtended strand (participates in β ladder)trans-124.6128178.4-48.5-66.4000110.5L5 I7 F87 A90 K136 K137 V138 L139L5-Y93 HydrophobicContact CB-CD1 4.26Å; L5-Y93 HydrophobicContact CD1-CD1 4.18Å; L5-Y93 HydrophobicContact CD1-CE1 4.11Å; L5-Y93 HydrophobicContact CG-CD1 4.4Å; I7-Y93 HydrophobicContact CD1-CD1 4.47Å; F87-Y93 HydrophobicContact CD1-CE1 4.05Å; F87-Y93 AromaticContact CD1-CZ 3.81Å; F87-Y93 WeakPolarHBondContact CD1-OH 3.41Å; F87-Y93 AromaticContact CD2-CD1 3.8Å; F87-Y93 HydrophobicContact CD2-CD1 3.8Å; F87-Y93 AromaticContact CD2-CE1 3.43Å; F87-Y93 HydrophobicContact CD2-CE1 3.43Å; F87-Y93 VanDerWaalsContact CD2-CE1 3.43Å; F87-Y93 AromaticContact CD2-CZ 3.99Å; F87-Y93 AromaticContact CE1-CE1 3.92Å; F87-Y93 HydrophobicContact CE1-CE1 3.92Å; F87-Y93 AromaticContact CE1-CE2 3.83Å; F87-Y93 HydrophobicContact CE1-CE2 3.83Å; F87-Y93 AromaticContact CE1-CZ 3.41Å; F87-Y93 VanDerWaalsContact CE1-CZ 3.41Å; F87-Y93 VanDerWaalsContact CE1-OH 3.25Å; F87-Y93 WeakPolarHBondContact CE1-OH 3.43Å; F87-Y93 AromaticContact CE2-CD1 3.36Å; F87-Y93 HydrophobicContact CE2-CD1 3.36Å; F87-Y93 HydrophobicContact CE2-CD2 4.13Å; F87-Y93 AromaticContact CE2-CE1 3.28Å; F87-Y93 HydrophobicContact CE2-CE1 3.28Å; F87-Y93 HydrophobicContact CE2-CE2 4.04Å; F87-Y93 AromaticContact CE2-CG 3.79Å; F87-Y93 HydrophobicContact CE2-CG 3.79Å; F87-Y93 AromaticContact CE2-CZ 3.61Å; F87-Y93 AromaticContact CG-CE1 3.83Å; F87-Y93 HydrophobicContact CG-CE1 3.83Å; F87-Y93 AromaticContact CZ-CD1 3.87Å; F87-Y93 HydrophobicContact CZ-CD1 3.87Å; F87-Y93 AromaticContact CZ-CD2 3.83Å; F87-Y93 HydrophobicContact CZ-CD2 3.83Å; F87-Y93 AromaticContact CZ-CE1 3.54Å; F87-Y93 HydrophobicContact CZ-CE1 3.54Å; F87-Y93 AromaticContact CZ-CE2 3.47Å; F87-Y93 HydrophobicContact CZ-CE2 3.47Å; F87-Y93 VanDerWaalsContact CZ-CE2 3.47Å; F87-Y93 AromaticContact CZ-CG 3.98Å; F87-Y93 HydrophobicContact CZ-CG 3.98Å; F87-Y93 AromaticContact CZ-CZ 3.3Å; F87-Y93 VanDerWaalsContact O-CE1 3.24Å; F87-Y93 WeakPolarHBondContact O-CE1 3.19Å; F87-Y93 PolarHBondContact O-OH 2.89Å; A90-Y93 HydrophobicContact CB-CD1 4.42Å; A90-Y93 HydrophobicContact CB-CE1 3.88Å; Y93-K136 HydrophobicContact CE2-CB 3.9Å; Y93-K136 HydrophobicContact CE2-CD 3.45Å; Y93-K136 VanDerWaalsContact CE2-CD 3.45Å; Y93-K136 HydrophobicContact CE2-CG 4.32Å; Y93-K136 VanDerWaalsContact CZ-CD 3.49Å; Y93-K136 WeakPolarHBondContact OH-CD 3.25Å; Y93-K136 WeakPolarHBondContact OH-CE 3.29Å; Y93-K137 PolarHBondContact N-O 2.83Å; Y93-V138 HydrophobicContact CD2-CG2 3.66Å; Y93-V138 HydrophobicContact CG-CG2 4.35Å; Y93-V138 CarbonylContact O-C 3.51Å; Y93-V138 WeakPolarHBondContact O-CA 3.4Å; Y93-L139 PolarHBondContact O-N 3.44Å
94V98.9Very high98.8Very high0 Ų034.7 Ų34.70%018%0.178CC..EExtended strand (participates in β ladder)trans-118103.8174.5-178.50000107.8V4 L5 Y6 I7 F26 V96 L139 I141 F208V4-V94 HydrophobicContact CG1-CG2 4.01Å; L5-V94 PolarHBondContact O-N 2.86Å; Y6-V94 HydrophobicContact CD2-CB 4.15Å; Y6-V94 HydrophobicContact CD2-CG1 3.93Å; Y6-V94 HydrophobicContact CE2-CG1 4.26Å; I7-V94 PolarHBondContact N-O 3.1Å; F26-V94 HydrophobicContact CD1-CG1 4.06Å; F26-V94 HydrophobicContact CD1-CG2 4.15Å; F26-V94 HydrophobicContact CE1-CG1 4.29Å; F26-V94 HydrophobicContact CE1-CG2 3.59Å; F26-V94 HydrophobicContact CZ-CG2 4.4Å; V94-V96 HydrophobicContact CG1-CG2 4.36Å; V94-L139 CarbonylContact C-O 3.59Å; V94-L139 WeakPolarHBondContact CA-O 3.35Å; V94-L139 HydrophobicContact CG1-CD2 4.2Å; V94-L139 HydrophobicContact CG1-CG 4.45Å; V94-L139 HydrophobicContact CG2-CB 4.45Å; V94-I141 HydrophobicContact CG1-CD1 4.16Å; V94-F208 HydrophobicContact CG2-CE1 4.12Å
95F99Very high98.8Very high1 Ų134.3 Ų34.30%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-89.5131.2174.9-71.6-90.4000110.2I7 F87 Y111 V138 L139 H140 I141 L163 M167I7-F95 HydrophobicContact CB-CD1 4.05Å; I7-F95 HydrophobicContact CB-CE1 4.21Å; I7-F95 HydrophobicContact CD1-CD1 4.27Å; I7-F95 HydrophobicContact CD1-CE1 3.72Å; I7-F95 HydrophobicContact CD1-CE2 4.07Å; I7-F95 HydrophobicContact CD1-CZ 3.61Å; I7-F95 HydrophobicContact CG2-CD1 3.9Å; I7-F95 HydrophobicContact CG2-CE1 3.89Å; I7-F95 CarbonylContact O-C 3.56Å; I7-F95 WeakPolarHBondContact O-CA 2.89Å; F87-F95 HydrophobicContact CE2-CZ 4.11Å; F95-Y111 HydrophobicContact CE1-CD1 4.12Å; F95-Y111 HydrophobicContact CE1-CE1 4.15Å; F95-Y111 HydrophobicContact CZ-CE1 4.29Å; F95-V138 HydrophobicContact CD2-CG1 4.1Å; F95-V138 HydrophobicContact CE2-CG1 4.44Å; F95-L139 PolarHBondContact N-O 2.95Å; F95-H140 CarbonylContact O-C 3.58Å; F95-H140 WeakPolarHBondContact O-CA 3.35Å; F95-I141 PolarHBondContact O-N 3.04Å; F95-L163 HydrophobicContact CB-CD2 3.72Å; F95-L163 HydrophobicContact CD1-CD1 4.43Å; F95-L163 HydrophobicContact CD1-CD2 4.25Å; F95-L163 HydrophobicContact CD2-CD1 4.35Å; F95-L163 HydrophobicContact CD2-CD2 3.94Å; F95-L163 HydrophobicContact CE1-CD1 4.34Å; F95-L163 HydrophobicContact CE2-CD1 4.27Å; F95-L163 HydrophobicContact CG-CD1 4.42Å; F95-L163 HydrophobicContact CG-CD2 3.71Å; F95-L163 HydrophobicContact CZ-CD1 4.26Å; F95-M167 HydrophobicContact CE2-CE 3.76Å; F95-M167 HydrophobicContact CZ-CE 3.72Å
96V99Very high98.8Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-120.9113175-1750000109.4Y6 I7 T8 A9 S19 M20 V94 I141Y6-V96 HydrophobicContact CD2-CG2 4.26Å; Y6-V96 HydrophobicContact CE2-CG2 3.44Å; Y6-V96 VanDerWaalsContact CE2-CG2 3.44Å; I7-V96 PolarHBondContact O-N 3.32Å; T8-V96 HydrophobicContact CG2-CB 4.15Å; T8-V96 HydrophobicContact CG2-CG2 4.27Å; A9-V96 PolarHBondContact N-O 3.08Å; S19-V96 VanDerWaalsContact C-CG1 3.43Å; S19-V96 WeakPolarHBondContact O-CG1 3.49Å; M20-V96 HydrophobicContact SD-CG1 3.85Å; V94-V96 HydrophobicContact CG1-CG2 4.36Å; V96-I141 WeakPolarHBondContact CA-O 3.24Å; V96-I141 HydrophobicContact CG2-CB 4.39Å; V96-I141 HydrophobicContact CG2-CD1 4.41Å
97T98.9Very high98.8Very high1 Ų135.1 Ų35.11%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-135.4148.4-175.579.10000112.8A9 S19 F104 V108 H140 I141 Q142 S143A9-T97 HydrophobicContact CB-CG2 4.33Å; S19-T97 WeakPolarHBondContact CB-O 3.32Å; T97-F104 HydrophobicContact CG2-CB 4.24Å; T97-V108 HydrophobicContact CG2-CG2 4.01Å; T97-H140 PolarHBondContact OG1-NE2 3.35Å; T97-I141 PolarHBondContact N-O 2.91Å; T97-Q142 VanDerWaalsContact O-CA 3.29Å; T97-Q142 WeakPolarHBondContact O-CA 3.45Å; T97-S143 PolarHBondContact O-N 3.11Å
98P98.8Very high98.8Very high8 Ų835.1 Ų35.15%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-82.5160.1158.835.8-32.8000110.1A9 W100 P105 S143A9-P98 WeakPolarHBondContact O-CD 3.17Å; P98-W100 HydrophobicContact CG-CD2 4.08Å; P98-W100 HydrophobicContact CG-CG 4.34Å; P98-W100 HydrophobicContact CG-CZ2 3.83Å; P98-P105 HydrophobicContact CG-CG 3.64Å; P98-S143 CarbonylContact C-O 3.54Å
99M98.8Very high98.8Very high24 Ų2436.9 Ų36.912%0.11820%0.197CC..  trans-89114.2162.9178.7-173.5-82.900110S103 S143 R144 Y148 E157M99-S103 CarbonylContact C-O 3.54Å; M99-S103 WeakPolarHBondContact CA-O 3.45Å; M99-S143 WeakPolarHBondContact CB-O 3.44Å; M99-S143 PolarHBondContact N-O 3.43Å; M99-R144 HydrophobicContact CB-CB 4.32Å; M99-R144 HydrophobicContact CB-CG 4.01Å; M99-R144 HydrophobicContact CE-CB 4.44Å; M99-R144 HydrophobicContact CE-CG 3.81Å; M99-R144 HydrophobicContact SD-CB 4.18Å; M99-R144 HydrophobicContact SD-CG 4.13Å; M99-Y148 HydrophobicContact CE-CD1 4.11Å; M99-Y148 HydrophobicContact CE-CD2 3.99Å; M99-Y148 HydrophobicContact CE-CE1 4.47Å; M99-Y148 HydrophobicContact CE-CE2 4.35Å; M99-Y148 HydrophobicContact CE-CG 3.87Å; M99-Y148 HydrophobicContact SD-CD1 4.27Å; M99-Y148 HydrophobicContact SD-CD2 3.73Å; M99-Y148 HydrophobicContact SD-CE1 4.09Å; M99-Y148 HydrophobicContact SD-CE2 3.51Å; M99-Y148 VanDerWaalsContact SD-CE2 3.51Å; M99-Y148 HydrophobicContact SD-CG 4.12Å; M99-E157 HydrophobicContact CE-CB 4.38Å; M99-E157 HydrophobicContact CE-CG 3.63Å
100W98.7Very high98.8Very high101 Ų10135 Ų3538%0.38319%0.185SC..BIsolated β-bridgetrans-119.2125.4172.1-65.5-12.2000110P11 F45 P98 L102 S103 P105P11-W100 HydrophobicContact CG-CH2 3.91Å; P11-W100 HydrophobicContact CG-CZ2 4.08Å; F45-W100 AromaticContact CZ-CH2 3.89Å; F45-W100 HydrophobicContact CZ-CH2 3.89Å; F45-W100 HydrophobicContact CZ-CZ3 4.04Å; P98-W100 HydrophobicContact CG-CD2 4.08Å; P98-W100 HydrophobicContact CG-CG 4.34Å; P98-W100 HydrophobicContact CG-CZ2 3.83Å; W100-L102 VanDerWaalsContact C-N 3.25Å; W100-L102 PolarHBondContact O-N 3.35Å; W100-S103 PolarHBondContact N-O 3Å; W100-S103 CarbonylContact O-C 3.58Å; W100-S103 PolarHBondContact O-N 2.76Å; W100-S103 VanDerWaalsContact O-O 3.12Å; W100-P105 HydrophobicContact CD2-CG 4.04Å; W100-P105 HydrophobicContact CE3-CB 3.88Å; W100-P105 HydrophobicContact CE3-CG 3.69Å; W100-P105 HydrophobicContact CH2-CB 4.47Å; W100-P105 HydrophobicContact CH2-CG 4.14Å; W100-P105 HydrophobicContact CZ2-CG 4.46Å; W100-P105 HydrophobicContact CZ3-CB 3.76Å; W100-P105 HydrophobicContact CZ3-CG 3.74Å
101N98.5Very high98.8Very high165 Ų16535.1 Ų35.188%0.88219%0.185SC*.THydrogen-bonded Turntrans46.152.1-179.7-58.9-45.6000112S103N101-S103 PolarHBondContact O-N 2.66Å
102L98.5Very high98.8Very high63 Ų6332.2 Ų32.233%0.3317%0.17SC..THydrogen-bonded Turntrans72.1-2.7177.3-49.3177.9000116.2W100 Y148 F156 M158 G159W100-L102 VanDerWaalsContact C-N 3.25Å; W100-L102 PolarHBondContact O-N 3.35Å; L102-Y148 HydrophobicContact CD2-CE1 3.75Å; L102-F156 WeakPolarHBondContact CB-O 3.49Å; L102-F156 HydrophobicContact CD1-CB 4.15Å; L102-F156 HydrophobicContact CD1-CD1 4.22Å; L102-F156 HydrophobicContact CD2-CB 4.13Å; L102-M158 WeakPolarHBondContact O-CA 3.29Å; L102-M158 WeakPolarHBondContact O-CB 3.28Å; L102-M158 PolarHBondContact O-N 2.85Å; L102-G159 PolarHBondContact O-N 2.83Å
103S98.8Very high98.8Very high32 Ų3232.6 Ų32.622%0.22417%0.173CC..BIsolated β-bridgetrans-134.5-163.1179.5-163.50000111.4M99 W100 N101 M158M99-S103 CarbonylContact C-O 3.54Å; M99-S103 WeakPolarHBondContact CA-O 3.45Å; W100-S103 PolarHBondContact N-O 3Å; W100-S103 CarbonylContact O-C 3.58Å; W100-S103 PolarHBondContact O-N 2.76Å; W100-S103 VanDerWaalsContact O-O 3.12Å; N101-S103 PolarHBondContact O-N 2.66Å; S103-M158 PolarHBondContact OG-O 3.25Å
104F98.8Very high98.8Very high18 Ų1832.7 Ų32.78%0.07917%0.174CC..  trans-95.2171.2174.647.4-120.1000111.6T97 V108 K109 I112 G159 Y162 L163T97-F104 HydrophobicContact CG2-CB 4.24Å; F104-V108 HydrophobicContact CB-CB 4.33Å; F104-V108 HydrophobicContact CB-CG1 4.47Å; F104-V108 HydrophobicContact CB-CG2 4.2Å; F104-V108 HydrophobicContact CD1-CG1 4Å; F104-V108 HydrophobicContact CD2-CB 3.46Å; F104-V108 VanDerWaalsContact CD2-CB 3.46Å; F104-V108 HydrophobicContact CD2-CG1 3.71Å; F104-V108 HydrophobicContact CD2-CG2 4.21Å; F104-V108 HydrophobicContact CE1-CG1 4.13Å; F104-V108 HydrophobicContact CE2-CB 3.84Å; F104-V108 HydrophobicContact CE2-CG1 3.83Å; F104-V108 HydrophobicContact CG-CB 3.88Å; F104-V108 HydrophobicContact CG-CG1 3.79Å; F104-V108 HydrophobicContact CG-CG2 4.29Å; F104-V108 HydrophobicContact CZ-CG1 4.05Å; F104-K109 HydrophobicContact CE2-CB 4.09Å; F104-I112 HydrophobicContact CE1-CD1 4.38Å; F104-I112 HydrophobicContact CZ-CD1 3.99Å; F104-G159 WeakPolarHBondContact CD1-O 3.27Å; F104-G159 WeakPolarHBondContact CE1-O 3.35Å; F104-Y162 AromaticContact CE1-CD1 3.65Å; F104-Y162 HydrophobicContact CE1-CD1 3.65Å; F104-Y162 HydrophobicContact CE1-CG 4.23Å; F104-Y162 AromaticContact CZ-CD1 3.39Å; F104-Y162 HydrophobicContact CZ-CD1 3.39Å; F104-Y162 AromaticContact CZ-CE1 3.93Å; F104-Y162 HydrophobicContact CZ-CE1 3.93Å; F104-Y162 HydrophobicContact CZ-CG 4.12Å; F104-L163 HydrophobicContact CE1-CB 4.47Å
105P98.9Very high98.8Very high0 Ų032.7 Ų32.70%017%0.174CC..  trans-59.1146.5175.4-28.138.1000113.6A9 F45 P98 W100 V107 V108A9-P105 HydrophobicContact CB-CG 4.35Å; A9-P105 WeakPolarHBondContact O-CG 3.45Å; F45-P105 HydrophobicContact CE2-CB 4.19Å; F45-P105 HydrophobicContact CE2-CG 4.48Å; F45-P105 HydrophobicContact CZ-CB 4.1Å; P98-P105 HydrophobicContact CG-CG 3.64Å; W100-P105 HydrophobicContact CD2-CG 4.04Å; W100-P105 HydrophobicContact CE3-CB 3.88Å; W100-P105 HydrophobicContact CE3-CG 3.69Å; W100-P105 HydrophobicContact CH2-CB 4.47Å; W100-P105 HydrophobicContact CH2-CG 4.14Å; W100-P105 HydrophobicContact CZ2-CG 4.46Å; W100-P105 HydrophobicContact CZ3-CB 3.76Å; W100-P105 HydrophobicContact CZ3-CG 3.74Å; P105-V107 HydrophobicContact CB-CG2 4.13Å; P105-V107 PolarHBondContact O-N 3.34Å; P105-V108 WeakPolarHBondContact O-CB 3.18Å; P105-V108 PolarHBondContact O-N 3.31Å
106P98.7Very high98.7Very high103 Ų10334 Ų3467%0.66918%0.183SC*.Hα-helixtrans-55.3-31.1-176.3-2835.2000115.3V108 K109 A110P106-V108 PolarHBondContact O-N 3.42Å; P106-K109 WeakPolarHBondContact O-CB 3.42Å; P106-K109 PolarHBondContact O-N 3.49Å; P106-A110 PolarHBondContact O-N 2.87Å; P106-A110 VanDerWaalsContact O-N 3.14Å
107V98.7Very high98.6Very high38 Ų3835.6 Ų35.623%0.2319%0.191CC..Hα-helixtrans-60.2-27.8177.5-64.90000113A9 L44 F45 P105 A110 Y111A9-V107 HydrophobicContact CB-CG2 4.18Å; L44-V107 HydrophobicContact CB-CB 4.17Å; L44-V107 HydrophobicContact CB-CG2 3.83Å; F45-V107 HydrophobicContact CD2-CG2 4.18Å; F45-V107 HydrophobicContact CE2-CG2 3.84Å; F45-V107 HydrophobicContact CZ-CG2 4.2Å; P105-V107 HydrophobicContact CB-CG2 4.13Å; P105-V107 PolarHBondContact O-N 3.34Å; V107-A110 PolarHBondContact O-N 3.08Å; V107-Y111 WeakPolarHBondContact O-CB 3.42Å; V107-Y111 PolarHBondContact O-N 2.83Å
108V98.9Very high98.5Very high0 Ų038 Ų380%021%0.211CC..Hα-helixtrans-67.4-39.7173.81790000110.4A9 L44 T97 F104 P105 P106 Y111 I112A9-V108 HydrophobicContact CB-CG2 3.28Å; L44-V108 HydrophobicContact CD1-CG2 4.17Å; T97-V108 HydrophobicContact CG2-CG2 4.01Å; F104-V108 HydrophobicContact CB-CB 4.33Å; F104-V108 HydrophobicContact CB-CG1 4.47Å; F104-V108 HydrophobicContact CB-CG2 4.2Å; F104-V108 HydrophobicContact CD1-CG1 4Å; F104-V108 HydrophobicContact CD2-CB 3.46Å; F104-V108 VanDerWaalsContact CD2-CB 3.46Å; F104-V108 HydrophobicContact CD2-CG1 3.71Å; F104-V108 HydrophobicContact CD2-CG2 4.21Å; F104-V108 HydrophobicContact CE1-CG1 4.13Å; F104-V108 HydrophobicContact CE2-CB 3.84Å; F104-V108 HydrophobicContact CE2-CG1 3.83Å; F104-V108 HydrophobicContact CG-CB 3.88Å; F104-V108 HydrophobicContact CG-CG1 3.79Å; F104-V108 HydrophobicContact CG-CG2 4.29Å; F104-V108 HydrophobicContact CZ-CG1 4.05Å; P105-V108 WeakPolarHBondContact O-CB 3.18Å; P105-V108 PolarHBondContact O-N 3.31Å; P106-V108 PolarHBondContact O-N 3.42Å; V108-Y111 PolarHBondContact O-N 3.44Å; V108-I112 HydrophobicContact CG1-CD1 3.83Å; V108-I112 HydrophobicContact CG1-CG1 4.45Å; V108-I112 WeakPolarHBondContact O-CB 3.32Å; V108-I112 VanDerWaalsContact O-CG1 3.24Å; V108-I112 WeakPolarHBondContact O-CG1 3.05Å; V108-I112 PolarHBondContact O-N 2.81Å
109K98.8Very high98.4Very high76 Ų7640.4 Ų40.433%0.3324%0.237SC..Hα-helixtrans-64.3-43.5175.1-178.956.5171.471.30111.3F104 P106 Y111 I112 D113 Y162F104-K109 HydrophobicContact CE2-CB 4.09Å; P106-K109 WeakPolarHBondContact O-CB 3.42Å; P106-K109 PolarHBondContact O-N 3.49Å; K109-Y111 VanDerWaalsContact C-N 3.32Å; K109-Y111 PolarHBondContact O-N 3.45Å; K109-I112 PolarHBondContact O-N 3.04Å; K109-D113 IonicContact NZ-OD1 2.65Å; K109-D113 PolarHBondContact NZ-OD1 2.99Å; K109-D113 IonicContact NZ-OD2 3.49Å; K109-D113 PolarHBondContact NZ-OD2 2.89Å; K109-D113 PolarHBondContact O-N 2.9Å; K109-Y162 HydrophobicContact CD-CE1 4.14Å; K109-Y162 VanDerWaalsContact CE-OH 3.28Å; K109-Y162 WeakPolarHBondContact CE-OH 3.43Å
110A98.7Very high98.3Very high14 Ų1443.8 Ų43.812%0.11625%0.251CS..Hα-helixtrans-61.4-41.117600000111.7I49 V51 P106 V107 D113 A114I49-A110 HydrophobicContact CG2-CB 3.82Å; V51-A110 HydrophobicContact CG2-CB 4.35Å; P106-A110 PolarHBondContact O-N 2.87Å; P106-A110 VanDerWaalsContact O-N 3.14Å; V107-A110 PolarHBondContact O-N 3.08Å; A110-D113 PolarHBondContact O-N 3.39Å; A110-A114 PolarHBondContact O-N 2.86Å
111Y98.9Very high98.3Very high1 Ų139 Ų390%0.00423%0.233CC..Hα-helixtrans-63.6-44.6174.8-172-99.7000112.1I7 L44 I49 I83 F87 F95 V107 V108 K109 D113 A114 I115I7-Y111 HydrophobicContact CD1-CE1 3.86Å; I7-Y111 HydrophobicContact CG2-CE1 4.36Å; L44-Y111 HydrophobicContact CD1-CG 4.17Å; L44-Y111 HydrophobicContact CD2-CD2 3.47Å; L44-Y111 VanDerWaalsContact CD2-CD2 3.47Å; L44-Y111 HydrophobicContact CD2-CE2 3.98Å; L44-Y111 HydrophobicContact CD2-CG 3.87Å; I49-Y111 HydrophobicContact CD1-CD2 4.3Å; I83-Y111 HydrophobicContact CG2-CD2 3.87Å; I83-Y111 HydrophobicContact CG2-CE2 3.53Å; F87-Y111 AromaticContact CD2-CE1 3.93Å; F87-Y111 HydrophobicContact CD2-CE1 3.93Å; F87-Y111 WeakPolarHBondContact CD2-OH 3.31Å; F87-Y111 HydrophobicContact CE2-CE1 4.24Å; F95-Y111 HydrophobicContact CE1-CD1 4.12Å; F95-Y111 HydrophobicContact CE1-CE1 4.15Å; F95-Y111 HydrophobicContact CZ-CE1 4.29Å; V107-Y111 WeakPolarHBondContact O-CB 3.42Å; V107-Y111 PolarHBondContact O-N 2.83Å; V108-Y111 PolarHBondContact O-N 3.44Å; K109-Y111 VanDerWaalsContact C-N 3.32Å; K109-Y111 PolarHBondContact O-N 3.45Å; Y111-D113 VanDerWaalsContact C-N 3.3Å; Y111-D113 PolarHBondContact O-N 3.29Å; Y111-A114 WeakPolarHBondContact O-CB 3.45Å; Y111-A114 PolarHBondContact O-N 2.91Å; Y111-A114 VanDerWaalsContact O-N 3.13Å; Y111-I115 HydrophobicContact CE1-CG2 4.15Å; Y111-I115 PolarHBondContact O-N 2.82Å
112I98.9Very high98.3Very high0 Ų031.9 Ų31.90%020%0.195CC..Hα-helixtrans-60.1-41.2176.1-71.3165.8000111.1F104 V108 K109 A114 I115 S116 Y162 L163 I166F104-I112 HydrophobicContact CE1-CD1 4.38Å; F104-I112 HydrophobicContact CZ-CD1 3.99Å; V108-I112 HydrophobicContact CG1-CD1 3.83Å; V108-I112 HydrophobicContact CG1-CG1 4.45Å; V108-I112 WeakPolarHBondContact O-CB 3.32Å; V108-I112 VanDerWaalsContact O-CG1 3.24Å; V108-I112 WeakPolarHBondContact O-CG1 3.05Å; V108-I112 PolarHBondContact O-N 2.81Å; K109-I112 PolarHBondContact O-N 3.04Å; I112-A114 VanDerWaalsContact C-N 3.31Å; I112-A114 PolarHBondContact O-N 2.92Å; I112-I115 VanDerWaalsContact O-CG1 3.24Å; I112-I115 WeakPolarHBondContact O-CG1 3.49Å; I112-I115 PolarHBondContact O-N 3.4Å; I112-S116 VanDerWaalsContact O-CB 3.28Å; I112-S116 WeakPolarHBondContact O-CB 3.47Å; I112-S116 PolarHBondContact O-N 2.76Å; I112-S116 PolarHBondContact O-OG 3.16Å; I112-Y162 HydrophobicContact CD1-CD1 4.01Å; I112-Y162 HydrophobicContact CD1-CE1 3.7Å; I112-Y162 HydrophobicContact CG2-CE1 4.13Å; I112-L163 HydrophobicContact CD1-CD1 3.94Å; I112-I166 HydrophobicContact CD1-CG2 4.22Å; I112-I166 HydrophobicContact CG2-CB 4.44Å; I112-I166 HydrophobicContact CG2-CG1 3.78Å; I112-I166 HydrophobicContact CG2-CG2 4.17Å
113D98.7Very high98.3Very high40 Ų4033.2 Ų33.221%0.21420%0.198CC..Hα-helixtrans-63.1-37.3175.5-75.8-24000112.4I52 K109 A110 Y111 I115I52-D113 HydrophobicContact CD1-CB 3.78Å; I52-D113 HydrophobicContact CG1-CB 4.2Å; K109-D113 IonicContact NZ-OD1 2.65Å; K109-D113 PolarHBondContact NZ-OD1 2.99Å; K109-D113 IonicContact NZ-OD2 3.49Å; K109-D113 PolarHBondContact NZ-OD2 2.89Å; K109-D113 PolarHBondContact O-N 2.9Å; A110-D113 PolarHBondContact O-N 3.39Å; Y111-D113 VanDerWaalsContact C-N 3.3Å; Y111-D113 PolarHBondContact O-N 3.29Å; D113-I115 VanDerWaalsContact C-N 3.33Å; D113-I115 PolarHBondContact O-N 2.69Å
114A98.5Very high98.2Very high1 Ų139.7 Ų39.71%0.00822%0.219CC..Hα-helixtrans-65.6-34.317700000113.1L80 I83 A110 Y111 I112 I117L80-A114 HydrophobicContact CD2-CB 3.47Å; L80-A114 VanDerWaalsContact CD2-CB 3.47Å; I83-A114 HydrophobicContact CB-CB 4.3Å; I83-A114 HydrophobicContact CD1-CB 4.38Å; I83-A114 HydrophobicContact CG2-CB 3.8Å; A110-A114 PolarHBondContact O-N 2.86Å; Y111-A114 WeakPolarHBondContact O-CB 3.45Å; Y111-A114 PolarHBondContact O-N 2.91Å; Y111-A114 VanDerWaalsContact O-N 3.13Å; I112-A114 VanDerWaalsContact C-N 3.31Å; I112-A114 PolarHBondContact O-N 2.92Å; A114-I117 WeakPolarHBondContact O-CG1 3.4Å
115I98.6Very high98Very high0 Ų041 Ų410%023%0.229CC..Hα-helixtrans-91.5-17.1-17865163.2000113.4I83 L84 F87 Y111 I112 D113 I117 T121 M167 L170I83-I115 HydrophobicContact CG2-CG2 4.13Å; L84-I115 WeakPolarHBondContact CD1-O 3.4Å; F87-I115 HydrophobicContact CB-CB 4.39Å; F87-I115 HydrophobicContact CB-CG2 3.58Å; F87-I115 HydrophobicContact CD1-CB 3.97Å; F87-I115 HydrophobicContact CD1-CD1 3.94Å; F87-I115 HydrophobicContact CD1-CG2 4.01Å; F87-I115 HydrophobicContact CD2-CD1 4.05Å; F87-I115 HydrophobicContact CD2-CG2 3.98Å; F87-I115 HydrophobicContact CE1-CB 4.41Å; F87-I115 HydrophobicContact CE1-CD1 3.55Å; F87-I115 HydrophobicContact CE2-CD1 3.68Å; F87-I115 HydrophobicContact CG-CB 4.08Å; F87-I115 HydrophobicContact CG-CD1 4.17Å; F87-I115 HydrophobicContact CG-CG2 3.59Å; F87-I115 HydrophobicContact CZ-CD1 3.42Å; F87-I115 VanDerWaalsContact CZ-CD1 3.42Å; Y111-I115 HydrophobicContact CE1-CG2 4.15Å; Y111-I115 PolarHBondContact O-N 2.82Å; I112-I115 VanDerWaalsContact O-CG1 3.24Å; I112-I115 WeakPolarHBondContact O-CG1 3.49Å; I112-I115 PolarHBondContact O-N 3.4Å; D113-I115 VanDerWaalsContact C-N 3.33Å; D113-I115 PolarHBondContact O-N 2.69Å; I115-I117 VanDerWaalsContact C-N 3.34Å; I115-I117 PolarHBondContact O-N 2.75Å; I115-T121 WeakPolarHBondContact O-CB 3.21Å; I115-T121 WeakPolarHBondContact O-CG2 3.47Å; I115-T121 PolarHBondContact O-OG1 3.34Å; I115-M167 HydrophobicContact CD1-CE 4.08Å; I115-L170 HydrophobicContact CD1-CD1 4.14Å
116S98.4Very high97.9Very high28 Ų2845.8 Ų45.820%0.19627%0.27CS..  trans-86.669.8-174.2-60.60000111.8I112I112-S116 VanDerWaalsContact O-CB 3.28Å; I112-S116 WeakPolarHBondContact O-CB 3.47Å; I112-S116 PolarHBondContact O-N 2.76Å; I112-S116 PolarHBondContact O-OG 3.16Å
117I97.2Very high97.7Very high35 Ų3548.9 Ų48.918%0.17928%0.275CS..  trans-113.3128.6-171.5-55.9-57.4000111.7W60 L84 A114 I115 K120 T121W60-I117 HydrophobicContact CH2-CD1 3.64Å; W60-I117 HydrophobicContact CZ2-CD1 3.61Å; L84-I117 HydrophobicContact CD1-CB 4.38Å; L84-I117 HydrophobicContact CD1-CG1 4.27Å; L84-I117 HydrophobicContact CD2-CB 3.96Å; L84-I117 HydrophobicContact CD2-CG1 3.9Å; L84-I117 HydrophobicContact CD2-CG2 4.23Å; A114-I117 WeakPolarHBondContact O-CG1 3.4Å; I115-I117 VanDerWaalsContact C-N 3.34Å; I115-I117 PolarHBondContact O-N 2.75Å; I117-K120 HydrophobicContact CB-CB 4.1Å; I117-K120 HydrophobicContact CB-CG 4.43Å; I117-K120 HydrophobicContact CG2-CB 4.16Å; I117-K120 HydrophobicContact CG2-CG 3.97Å; I117-K120 WeakPolarHBondContact O-CB 3.39Å; I117-K120 PolarHBondContact O-N 2.77Å; I117-K120 VanDerWaalsContact O-N 3.14Å; I117-T121 PolarHBondContact N-OG1 2.78Å; I117-T121 VanDerWaalsContact N-OG1 3.12Å; I117-T121 PolarHBondContact O-N 2.93Å; I117-T121 PolarHBondContact O-OG1 3.22Å
118A95.9Very high97.5Very high50 Ų5048.2 Ų48.241%0.41328%0.276SS..BIsolated β-bridgetrans-64.3139.5177.300000111.5K120 F122 Y124A118-K120 PolarHBondContact O-N 2.87Å; A118-F122 CarbonylContact C-O 3.47Å; A118-F122 WeakPolarHBondContact CA-O 3.31Å; A118-F122 HydrophobicContact CB-CE1 4.13Å; A118-F122 HydrophobicContact CB-CE2 3.98Å; A118-F122 HydrophobicContact CB-CZ 3.67Å; A118-Y124 HydrophobicContact CB-CE2 4.09Å
119G96.1Very high97.4Very high59 Ų5951.7 Ų51.761%0.60830%0.298SS*.THydrogen-bonded Turntrans76.6-2.8-172.600000114.4F122G119-F122 PolarHBondContact N-O 3.4Å
120K97.8Very high97.4Very high95 Ų9552.7 Ų52.741%0.41330%0.304SS..THydrogen-bonded Turntrans-121.4-61.2-175.5-67.2-75.6-166.9159.90112L84 E85 L88 I117 A118L84-K120 HydrophobicContact CD1-CB 4.31Å; L84-K120 HydrophobicContact CD2-CB 3.9Å; L84-K120 HydrophobicContact CD2-CD 4.21Å; L84-K120 HydrophobicContact CD2-CG 3.82Å; E85-K120 IonicContact OE1-NZ 2.59Å; E85-K120 PolarHBondContact OE1-NZ 2.85Å; L88-K120 HydrophobicContact CD1-CB 4.38Å; L88-K120 HydrophobicContact CD1-CD 4.35Å; I117-K120 HydrophobicContact CB-CB 4.1Å; I117-K120 HydrophobicContact CB-CG 4.43Å; I117-K120 HydrophobicContact CG2-CB 4.16Å; I117-K120 HydrophobicContact CG2-CG 3.97Å; I117-K120 WeakPolarHBondContact O-CB 3.39Å; I117-K120 PolarHBondContact O-N 2.77Å; I117-K120 VanDerWaalsContact O-N 3.14Å; A118-K120 PolarHBondContact O-N 2.87Å
121T98.6Very high97.4Very high0 Ų052.5 Ų52.50%030%0.304CS..THydrogen-bonded Turntrans-107.1-17.8177.952.30000113.2L84 L88 I115 I117 L132 L133L84-T121 HydrophobicContact CD1-CG2 3.78Å; L88-T121 HydrophobicContact CD2-CG2 3.73Å; L88-T121 HydrophobicContact CG-CG2 4.38Å; I115-T121 WeakPolarHBondContact O-CB 3.21Å; I115-T121 WeakPolarHBondContact O-CG2 3.47Å; I115-T121 PolarHBondContact O-OG1 3.34Å; I117-T121 PolarHBondContact N-OG1 2.78Å; I117-T121 VanDerWaalsContact N-OG1 3.12Å; I117-T121 PolarHBondContact O-N 2.93Å; I117-T121 PolarHBondContact O-OG1 3.22Å; T121-L132 PolarHBondContact O-N 3.15Å; T121-L133 HydrophobicContact CG2-CD1 4.06Å; T121-L133 HydrophobicContact CG2-CD2 4.07Å; T121-L133 HydrophobicContact CG2-CG 4.38Å
122F98.6Very high97.3Very high17 Ų1755.2 Ų55.28%0.07532%0.318CS..EExtended strand (participates in β ladder)trans-145165.6166.774.7-81.4000110.2A118 G119 Y124 P129 Q130 F169 L170A118-F122 CarbonylContact C-O 3.47Å; A118-F122 WeakPolarHBondContact CA-O 3.31Å; A118-F122 HydrophobicContact CB-CE1 4.13Å; A118-F122 HydrophobicContact CB-CE2 3.98Å; A118-F122 HydrophobicContact CB-CZ 3.67Å; G119-F122 PolarHBondContact N-O 3.4Å; F122-Y124 HydrophobicContact CE2-CD2 4.46Å; F122-Y124 HydrophobicContact CE2-CE1 4.28Å; F122-Y124 AromaticContact CE2-CE2 3.87Å; F122-Y124 HydrophobicContact CE2-CE2 3.87Å; F122-Y124 AromaticContact CE2-CZ 3.77Å; F122-Y124 HydrophobicContact CZ-CE2 4.48Å; F122-P129 HydrophobicContact CD2-CB 4.17Å; F122-Q130 CarbonylContact C-O 3.54Å; F122-Q130 VanDerWaalsContact CA-O 3.23Å; F122-Q130 WeakPolarHBondContact CA-O 3.36Å; F122-Q130 WeakPolarHBondContact CB-O 3.36Å; F122-F169 HydrophobicContact CB-CE1 4.13Å; F122-F169 HydrophobicContact CB-CZ 4.25Å; F122-F169 AromaticContact CD1-CE1 3.81Å; F122-F169 HydrophobicContact CD1-CE1 3.81Å; F122-F169 HydrophobicContact CD1-CZ 4.12Å; F122-F169 HydrophobicContact CD2-CE1 4.27Å; F122-F169 AromaticContact CD2-CZ 3.77Å; F122-F169 HydrophobicContact CD2-CZ 3.77Å; F122-F169 HydrophobicContact CE1-CE1 4.24Å; F122-F169 HydrophobicContact CE1-CZ 4.4Å; F122-F169 HydrophobicContact CE2-CZ 4.07Å; F122-F169 AromaticContact CG-CE1 3.81Å; F122-F169 HydrophobicContact CG-CE1 3.81Å; F122-F169 AromaticContact CG-CZ 3.78Å; F122-F169 HydrophobicContact CG-CZ 3.78Å; F122-F169 HydrophobicContact CZ-CZ 4.37Å; F122-L170 HydrophobicContact CB-CD2 4.4Å; F122-L170 HydrophobicContact CD1-CD2 4.26Å
123K98.1Very high97.3Very high91 Ų9155.4 Ų55.440%0.39632%0.319SS..EExtended strand (participates in β ladder)trans-135.9159.9171.364.1177.6176.9-177.80110.7P129 Q130 L132K123-P129 CarbonylContact O-C 3.53Å; K123-P129 WeakPolarHBondContact O-CA 3.39Å; K123-Q130 HydrophobicContact CG-CB 4.31Å; K123-Q130 PolarHBondContact N-O 2.75Å; K123-Q130 PolarHBondContact O-N 2.88Å; K123-L132 HydrophobicContact CB-CD1 4.37Å; K123-L132 HydrophobicContact CD-CD2 3.93Å; K123-L132 HydrophobicContact CG-CD2 3.99Å; K123-L132 HydrophobicContact CG-CG 4.49Å
124Y96.6Very high97.3Very high168 Ų16858.2 Ų58.266%0.65934%0.338SS*.EExtended strand (participates in β ladder)trans-87134.2169.9-64-80.8000110.4A118 F122 P129A118-Y124 HydrophobicContact CB-CE2 4.09Å; F122-Y124 HydrophobicContact CE2-CD2 4.46Å; F122-Y124 HydrophobicContact CE2-CE1 4.28Å; F122-Y124 AromaticContact CE2-CE2 3.87Å; F122-Y124 HydrophobicContact CE2-CE2 3.87Å; F122-Y124 AromaticContact CE2-CZ 3.77Å; F122-Y124 HydrophobicContact CZ-CE2 4.48Å; Y124-P129 HydrophobicContact CD1-CG 4.19Å; Y124-P129 HydrophobicContact CE1-CG 4.12Å
125S94.8Very high97.3Very high44 Ų4463.5 Ų63.531%0.30837%0.366SS..EExtended strand (participates in β ladder)trans-121.6178166.882.30000110.7E127 G128S125-E127 WeakPolarHBondContact CB-OE2 3.46Å; S125-E127 PolarHBondContact O-N 2.82Å; S125-E127 PolarHBondContact OG-N 2.86Å; S125-E127 PolarHBondContact OG-OE2 3.21Å; S125-G128 PolarHBondContact N-O 2.82Å; S125-G128 PolarHBondContact O-N 2.86Å; S125-G128 VanDerWaalsContact O-N 3.13Å; S125-G128 PolarHBondContact OG-O 2.76Å
126A96.3Very high97.3Very high102 Ų10264.4 Ų64.484%0.84337%0.37SS*.THydrogen-bonded Turntrans-62.8-24.2176.100000112.6
127E95.2Very high97.3Very high167 Ų16764.9 Ų64.978%0.7837%0.368SS*.THydrogen-bonded Turntrans-90-4179.1-55.771.8-153.500112.9S125S125-E127 WeakPolarHBondContact CB-OE2 3.46Å; S125-E127 PolarHBondContact O-N 2.82Å; S125-E127 PolarHBondContact OG-N 2.86Å; S125-E127 PolarHBondContact OG-OE2 3.21Å
128G94.6Very high97.4Very high25 Ų2563.2 Ų63.226%0.25836%0.36SS..EExtended strand (participates in β ladder)trans115.4-167.5-177.200000113.2S125S125-G128 PolarHBondContact N-O 2.82Å; S125-G128 PolarHBondContact O-N 2.86Å; S125-G128 VanDerWaalsContact O-N 3.13Å; S125-G128 PolarHBondContact OG-O 2.76Å
129P95.9Very high97.5Very high72 Ų7260.8 Ų60.847%0.46834%0.34SS..EExtended strand (participates in β ladder)trans-64.3136176.7-21.333.7000112.2F122 K123 Y124 F169F122-P129 HydrophobicContact CD2-CB 4.17Å; K123-P129 CarbonylContact O-C 3.53Å; K123-P129 WeakPolarHBondContact O-CA 3.39Å; Y124-P129 HydrophobicContact CD1-CG 4.19Å; Y124-P129 HydrophobicContact CE1-CG 4.12Å; P129-F169 HydrophobicContact CB-CD2 4.46Å; P129-F169 HydrophobicContact CB-CE2 3.48Å; P129-F169 VanDerWaalsContact CB-CE2 3.48Å; P129-F169 HydrophobicContact CB-CZ 3.96Å; P129-F169 HydrophobicContact CG-CE2 4.04Å
130Q98.1Very high97.7Very high97 Ų9758 Ų5845%0.45331%0.311SS..EExtended strand (participates in β ladder)trans-122124174.5-174.3-175.919.300109.6F122 K123F122-Q130 CarbonylContact C-O 3.54Å; F122-Q130 VanDerWaalsContact CA-O 3.23Å; F122-Q130 WeakPolarHBondContact CA-O 3.36Å; F122-Q130 WeakPolarHBondContact CB-O 3.36Å; K123-Q130 HydrophobicContact CG-CB 4.31Å; K123-Q130 PolarHBondContact N-O 2.75Å; K123-Q130 PolarHBondContact O-N 2.88Å
131G98.5Very high97.7Very high10 Ų1053.5 Ų53.510%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-63.8148.517200000113.3F169 L170G131-F169 VanDerWaalsContact CA-O 3.25Å; G131-F169 WeakPolarHBondContact CA-O 3.48Å; G131-F169 PolarHBondContact N-O 2.87Å; G131-L170 CarbonylContact C-O 3.57Å; G131-L170 WeakPolarHBondContact CA-O 3.41Å
132L98.7Very high97.7Very high58 Ų5853.5 Ų53.530%0.30429%0.291SS..  trans-111.6-7-176.8-63.9174.7000113.5T121 K123 T134 L170T121-L132 PolarHBondContact O-N 3.15Å; K123-L132 HydrophobicContact CB-CD1 4.37Å; K123-L132 HydrophobicContact CD-CD2 3.93Å; K123-L132 HydrophobicContact CG-CD2 3.99Å; K123-L132 HydrophobicContact CG-CG 4.49Å; L132-T134 VanDerWaalsContact C-N 3.26Å; L132-T134 PolarHBondContact O-N 3.49Å; L132-T134 VanDerWaalsContact O-N 3.13Å; L132-L170 PolarHBondContact N-O 3.1Å
133L98.7Very high97.7Very high4 Ų453.2 Ų53.22%0.02129%0.292CS..  trans-9149.6-173.4-52.4-171.7000112.6F87 L88 T121 D135 K136 L170 G171 V172F87-L133 HydrophobicContact CD1-CD1 4.37Å; F87-L133 HydrophobicContact CE1-CD1 3.62Å; L88-L133 HydrophobicContact CD2-CD2 3.63Å; T121-L133 HydrophobicContact CG2-CD1 4.06Å; T121-L133 HydrophobicContact CG2-CD2 4.07Å; T121-L133 HydrophobicContact CG2-CG 4.38Å; L133-D135 PolarHBondContact O-N 3.2Å; L133-K136 HydrophobicContact CB-CD 3.92Å; L133-K136 HydrophobicContact CB-CG 4.07Å; L133-K136 HydrophobicContact CD1-CD 4.32Å; L133-K136 HydrophobicContact CD2-CD 4.23Å; L133-K136 HydrophobicContact CG-CD 4.37Å; L133-L170 WeakPolarHBondContact CB-O 3.29Å; L133-L170 HydrophobicContact CD1-CB 3.94Å; L133-L170 HydrophobicContact CD1-CD1 4.25Å; L133-L170 HydrophobicContact CG-CB 4.29Å; L133-L170 WeakPolarHBondContact CG-O 3.48Å; L133-L170 PolarHBondContact N-O 3.34Å; L133-G171 CarbonylContact C-O 3.56Å; L133-G171 CarbonylContact O-C 3.47Å; L133-V172 HydrophobicContact CB-CG2 3.91Å; L133-V172 HydrophobicContact CD1-CG2 4.35Å; L133-V172 WeakPolarHBondContact O-CA 3.32Å
134T98.5Very high97.8Very high99 Ų9949.2 Ų49.261%0.60727%0.274SS*.THydrogen-bonded Turntrans-76.6-5-167.156.20000115.2L132 G171L132-T134 VanDerWaalsContact C-N 3.26Å; L132-T134 PolarHBondContact O-N 3.49Å; L132-T134 VanDerWaalsContact O-N 3.13Å; T134-G171 WeakPolarHBondContact CA-O 3.4Å
135D98.2Very high97.8Very high113 Ų11342 Ų4260%0.60425%0.251SS*.THydrogen-bonded Turntrans-116.313.2-175.961.3-19.4000112.9L133L133-D135 PolarHBondContact O-N 3.2Å
136K98.6Very high98Very high18 Ų1840.9 Ų40.98%0.07825%0.247CC..  trans-108.5163.6-170.8-50.3-156.7-178.1-71.30113.4L88 A90 D91 Y93 L133 V172 P173L88-K136 PolarHBondContact O-NZ 3.37Å; A90-K136 PolarHBondContact O-NZ 2.95Å; D91-K136 WeakPolarHBondContact O-CA 3.2Å; Y93-K136 HydrophobicContact CE2-CB 3.9Å; Y93-K136 HydrophobicContact CE2-CD 3.45Å; Y93-K136 VanDerWaalsContact CE2-CD 3.45Å; Y93-K136 HydrophobicContact CE2-CG 4.32Å; Y93-K136 VanDerWaalsContact CZ-CD 3.49Å; Y93-K136 WeakPolarHBondContact OH-CD 3.25Å; Y93-K136 WeakPolarHBondContact OH-CE 3.29Å; L133-K136 HydrophobicContact CB-CD 3.92Å; L133-K136 HydrophobicContact CB-CG 4.07Å; L133-K136 HydrophobicContact CD1-CD 4.32Å; L133-K136 HydrophobicContact CD2-CD 4.23Å; L133-K136 HydrophobicContact CG-CD 4.37Å; K136-V172 HydrophobicContact CB-CG1 4.34Å; K136-V172 HydrophobicContact CB-CG2 4.44Å; K136-V172 WeakPolarHBondContact O-CG1 3.36Å; K136-P173 VanDerWaalsContact O-CD 3.31Å; K136-P173 WeakPolarHBondContact O-CD 3.26Å
137K98.6Very high98.1Very high38 Ų3840.5 Ų40.517%0.16522%0.224CC..EExtended strand (participates in β ladder)trans-131.8140.9176-171170.7-174.7-169.70111.9D91 K92 Y93 S174 E176 F208D91-K137 PolarHBondContact O-N 2.79Å; K92-K137 CarbonylContact C-O 3.49Å; K92-K137 WeakPolarHBondContact CA-O 3.43Å; K92-K137 HydrophobicContact CG-CB 4.4Å; Y93-K137 PolarHBondContact N-O 2.83Å; K137-S174 WeakPolarHBondContact CE-OG 3.37Å; K137-E176 WeakPolarHBondContact CE-OE1 3.38Å; K137-E176 IonicContact NZ-OE1 2.79Å; K137-E176 PolarHBondContact NZ-OE1 2.83Å; K137-F208 HydrophobicContact CB-CZ 4.49Å; K137-F208 HydrophobicContact CD-CD2 3.98Å; K137-F208 HydrophobicContact CD-CE2 3.69Å; K137-F208 HydrophobicContact CD-CZ 4.12Å; K137-F208 WeakPolarHBondContact CD-O 3.39Å; K137-F208 VanDerWaalsContact CE-CD2 3.46Å; K137-F208 VanDerWaalsContact CE-CE2 3.45Å; K137-F208 HydrophobicContact CG-CD2 4.47Å; K137-F208 HydrophobicContact CG-CE2 3.68Å; K137-F208 HydrophobicContact CG-CZ 3.87Å; K137-F208 PolarHBondContact NZ-O 2.87Å
138V98.9Very high98.2Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-121.6138.4177.7175.10000110.8Y93 F95 M167 V172 S174 Y175 E176Y93-V138 HydrophobicContact CD2-CG2 3.66Å; Y93-V138 HydrophobicContact CG-CG2 4.35Å; Y93-V138 CarbonylContact O-C 3.51Å; Y93-V138 WeakPolarHBondContact O-CA 3.4Å; F95-V138 HydrophobicContact CD2-CG1 4.1Å; F95-V138 HydrophobicContact CE2-CG1 4.44Å; V138-M167 HydrophobicContact CG1-CG 4.41Å; V138-M167 HydrophobicContact CG2-CB 4.33Å; V138-M167 HydrophobicContact CG2-CG 3.89Å; V138-M167 HydrophobicContact CG2-SD 3.86Å; V138-V172 HydrophobicContact CB-CG1 4.48Å; V138-V172 HydrophobicContact CG2-CG1 3.8Å; V138-V172 HydrophobicContact CG2-CG2 4.41Å; V138-S174 PolarHBondContact N-O 3.1Å; V138-Y175 HydrophobicContact CB-CD2 3.76Å; V138-Y175 HydrophobicContact CB-CE2 4.24Å; V138-Y175 HydrophobicContact CB-CG 4.35Å; V138-Y175 HydrophobicContact CG1-CD2 3.54Å; V138-Y175 HydrophobicContact CG1-CE2 3.5Å; V138-Y175 VanDerWaalsContact CG1-CE2 3.5Å; V138-Y175 HydrophobicContact CG1-CG 4.29Å; V138-Y175 HydrophobicContact CG2-CD2 4.46Å; V138-Y175 WeakPolarHBondContact O-CA 3.37Å; V138-E176 PolarHBondContact O-N 2.87Å
139L98.9Very high98.4Very high0 Ų037.7 Ų37.70%021%0.208CC..EExtended strand (participates in β ladder)trans-118.4134.6160170.460.7000109F26 Y93 V94 F95 I141 E176 I178 L204 F208F26-L139 HydrophobicContact CD1-CD2 4.09Å; F26-L139 HydrophobicContact CD2-CD2 3.5Å; F26-L139 HydrophobicContact CE1-CD2 3.88Å; F26-L139 HydrophobicContact CE2-CD2 3.24Å; F26-L139 HydrophobicContact CG-CD2 3.94Å; F26-L139 HydrophobicContact CZ-CD2 3.44Å; F26-L139 VanDerWaalsContact CZ-CD2 3.44Å; Y93-L139 PolarHBondContact O-N 3.44Å; V94-L139 CarbonylContact C-O 3.59Å; V94-L139 WeakPolarHBondContact CA-O 3.35Å; V94-L139 HydrophobicContact CG1-CD2 4.2Å; V94-L139 HydrophobicContact CG1-CG 4.45Å; V94-L139 HydrophobicContact CG2-CB 4.45Å; F95-L139 PolarHBondContact N-O 2.95Å; L139-I141 HydrophobicContact CD1-CG1 4.29Å; L139-I141 HydrophobicContact CD2-CD1 4Å; L139-I141 HydrophobicContact CD2-CG1 3.98Å; L139-I141 HydrophobicContact CG-CD1 4.46Å; L139-I141 HydrophobicContact CG-CG1 3.93Å; L139-E176 CarbonylContact C-O 3.58Å; L139-E176 WeakPolarHBondContact CA-O 3.34Å; L139-E176 HydrophobicContact CD1-CB 4.09Å; L139-I178 HydrophobicContact CD1-CD1 4.27Å; L139-I178 HydrophobicContact CD1-CG1 4.12Å; L139-I178 HydrophobicContact CD2-CD1 4.4Å; L139-L204 HydrophobicContact CD1-CD2 3.63Å; L139-L204 HydrophobicContact CD2-CD2 4.03Å; L139-L204 HydrophobicContact CG-CD2 4.45Å; L139-F208 HydrophobicContact CB-CD2 4.35Å; L139-F208 HydrophobicContact CB-CE2 3.57Å; L139-F208 HydrophobicContact CB-CZ 3.67Å
140H98.9Very high98.4Very high0 Ų041.8 Ų41.80%022%0.221CC..EExtended strand (participates in β ladder)trans-115.3120.5167.4-178.6-148.3000111.2F95 T97 D160 L163 Y175 E176 T177 I178F95-H140 CarbonylContact O-C 3.58Å; F95-H140 WeakPolarHBondContact O-CA 3.35Å; T97-H140 PolarHBondContact OG1-NE2 3.35Å; H140-D160 IonicContact CE1-OD1 2.81Å; H140-D160 IonicContact CG-OD1 3.94Å; H140-D160 IonicContact ND1-OD1 2.57Å; H140-D160 PolarHBondContact ND1-OD1 2.91Å; H140-L163 HydrophobicContact CB-CD2 3.95Å; H140-Y175 HydrophobicContact CB-CE1 4.1Å; H140-Y175 VanDerWaalsContact CB-OH 3.31Å; H140-Y175 WeakPolarHBondContact CB-OH 3.39Å; H140-E176 PolarHBondContact N-O 2.92Å; H140-T177 CarbonylContact O-C 3.43Å; H140-T177 WeakPolarHBondContact O-CA 3.39Å; H140-T177 WeakPolarHBondContact O-CG2 3.41Å; H140-I178 PolarHBondContact O-N 2.91Å
141I98.9Very high98.4Very high0 Ų039.6 Ų39.60%023%0.225CC..EExtended strand (participates in β ladder)trans-103.9109.8174.4-54.2177.9000107.2A22 F26 V94 F95 V96 T97 L139 I178 I180A22-I141 HydrophobicContact CB-CG2 3.86Å; F26-I141 HydrophobicContact CB-CD1 3.92Å; F26-I141 HydrophobicContact CG-CD1 4.18Å; V94-I141 HydrophobicContact CG1-CD1 4.16Å; F95-I141 PolarHBondContact O-N 3.04Å; V96-I141 WeakPolarHBondContact CA-O 3.24Å; V96-I141 HydrophobicContact CG2-CB 4.39Å; V96-I141 HydrophobicContact CG2-CD1 4.41Å; T97-I141 PolarHBondContact N-O 2.91Å; L139-I141 HydrophobicContact CD1-CG1 4.29Å; L139-I141 HydrophobicContact CD2-CD1 4Å; L139-I141 HydrophobicContact CD2-CG1 3.98Å; L139-I141 HydrophobicContact CG-CD1 4.46Å; L139-I141 HydrophobicContact CG-CG1 3.93Å; I141-I178 WeakPolarHBondContact CA-O 3.42Å; I141-I178 HydrophobicContact CD1-CD1 4.4Å; I141-I178 HydrophobicContact CG1-CB 4.22Å; I141-I178 HydrophobicContact CG1-CD1 4.24Å; I141-I178 HydrophobicContact CG2-CB 4.34Å; I141-I178 HydrophobicContact CG2-CG2 4.32Å; I141-I180 HydrophobicContact CG2-CD1 3.96Å
142Q98.9Very high98.3Very high0 Ų044.4 Ų44.40%025%0.254CS..EExtended strand (participates in β ladder)trans-121.7128.5-175.1-163.6-176.944.700112.3T97 R144 E157 I178 I180T97-Q142 VanDerWaalsContact O-CA 3.29Å; T97-Q142 WeakPolarHBondContact O-CA 3.45Å; Q142-R144 HydrophobicContact CG-CG 4.42Å; Q142-R144 VanDerWaalsContact OE1-CZ 3.31Å; Q142-E157 PolarHBondContact NE2-OE1 2.94Å; Q142-E157 PolarHBondContact OE1-OE1 2.88Å; Q142-I178 PolarHBondContact N-O 3.17Å; Q142-I180 PolarHBondContact O-N 3.36Å
143S98.7Very high98.2Very high11 Ų1143.1 Ų43.18%0.07725%0.252CS..EExtended strand (participates in β ladder)trans-100.1133.3171.4-1670000112.9N18 T97 P98 M99 I180 H183N18-S143 WeakPolarHBondContact CB-OG 3.47Å; T97-S143 PolarHBondContact O-N 3.11Å; P98-S143 CarbonylContact C-O 3.54Å; M99-S143 WeakPolarHBondContact CB-O 3.44Å; M99-S143 PolarHBondContact N-O 3.43Å; S143-I180 CarbonylContact C-O 3.5Å; S143-I180 VanDerWaalsContact CA-O 3.28Å; S143-I180 WeakPolarHBondContact CA-O 3.37Å; S143-I180 PolarHBondContact OG-O 3.44Å; S143-H183 PolarHBondContact OG-CE1 3.34Å
144R98.6Very high98.2Very high7 Ų744.1 Ų44.13%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-129.7132.5-175.6-47.5178.1178.4165.2-4.7109.9M99 Q142 Y148 E157 I180 E181 G182 H183M99-R144 HydrophobicContact CB-CB 4.32Å; M99-R144 HydrophobicContact CB-CG 4.01Å; M99-R144 HydrophobicContact CE-CB 4.44Å; M99-R144 HydrophobicContact CE-CG 3.81Å; M99-R144 HydrophobicContact SD-CB 4.18Å; M99-R144 HydrophobicContact SD-CG 4.13Å; Q142-R144 HydrophobicContact CG-CG 4.42Å; Q142-R144 VanDerWaalsContact OE1-CZ 3.31Å; R144-Y148 HydrophobicContact CB-CD2 4.1Å; R144-E157 VanDerWaalsContact CZ-CG 3.46Å; R144-E157 VanDerWaalsContact NH2-CG 3.29Å; R144-E157 IonicContact NH2-OE1 3.95Å; R144-E157 IonicContact NH2-OE2 2.95Å; R144-I180 PolarHBondContact N-O 3.06Å; R144-E181 HydrophobicContact CB-CB 3.9Å; R144-E181 HydrophobicContact CG-CB 4.46Å; R144-E181 IonicContact NH1-OE2 3.99Å; R144-E181 PolarHBondContact NH1-OE2 3.05Å; R144-E181 VanDerWaalsContact O-CA 3.29Å; R144-E181 WeakPolarHBondContact O-CA 3.41Å; R144-G182 PolarHBondContact O-N 2.92Å; R144-H183 VanDerWaalsContact C-CE1 3.48Å; R144-H183 PolarHBondContact O-CE1 3.25Å; R144-H183 PolarHBondContact O-ND1 3.43Å; R144-H183 VanDerWaalsContact O-ND1 3.12Å
145G97.9Very high98.2Very high18 Ų1844.7 Ų44.719%0.18626%0.26CS..SBendtrans-67.7-38-178.600000113.6G182 H183 N184 A185G145-G182 CarbonylContact O-C 3.23Å; G145-G182 VanDerWaalsContact O-C 3.23Å; G145-G182 WeakPolarHBondContact O-CA 3.49Å; G145-H183 PolarHBondContact O-N 2.98Å; G145-N184 WeakPolarHBondContact CA-ND2 3.32Å; G145-N184 WeakPolarHBondContact O-CA 2.92Å; G145-N184 WeakPolarHBondContact O-CB 3.45Å; G145-N184 PolarHBondContact O-N 3.11Å; G145-A185 PolarHBondContact O-N 3.03Å; G145-A185 VanDerWaalsContact O-N 3.1Å
146G98.1Very high98.2Very high20 Ų2044.8 Ų44.821%0.20626%0.255CS..SBendtrans-111.6-175.4174.800000111.9Y148 E181 G182G146-Y148 WeakPolarHBondContact O-CD2 3.49Å; G146-E181 WeakPolarHBondContact O-CB 3.48Å; G146-G182 PolarHBondContact O-N 3.32Å
147Y98.3Very high98.2Very high94 Ų9444.4 Ų44.437%0.36925%0.254SS..  trans-87.3127.8178.5-62.7-81.1000111.4A153 E181 A185 E186Y147-A153 VanDerWaalsContact O-CB 3.26Å; Y147-A153 WeakPolarHBondContact O-CB 3.45Å; Y147-E181 HydrophobicContact CD1-CG 3.87Å; Y147-E181 HydrophobicContact CE1-CG 4.29Å; Y147-A185 HydrophobicContact CD2-CB 4.34Å; Y147-A185 HydrophobicContact CE2-CB 4.07Å; Y147-E186 HydrophobicContact CE2-CG 4.4Å; Y147-E186 PolarHBondContact OH-OE2 3.26Å
148Y98.6Very high98.2Very high53 Ų5346.8 Ų46.821%0.20827%0.266CS..  trans-134.46.9179.4-68.6-96.1000112.4M99 L102 R144 G146 A153 A154 F156 E157 E181M99-Y148 HydrophobicContact CE-CD1 4.11Å; M99-Y148 HydrophobicContact CE-CD2 3.99Å; M99-Y148 HydrophobicContact CE-CE1 4.47Å; M99-Y148 HydrophobicContact CE-CE2 4.35Å; M99-Y148 HydrophobicContact CE-CG 3.87Å; M99-Y148 HydrophobicContact SD-CD1 4.27Å; M99-Y148 HydrophobicContact SD-CD2 3.73Å; M99-Y148 HydrophobicContact SD-CE1 4.09Å; M99-Y148 HydrophobicContact SD-CE2 3.51Å; M99-Y148 VanDerWaalsContact SD-CE2 3.51Å; M99-Y148 HydrophobicContact SD-CG 4.12Å; L102-Y148 HydrophobicContact CD2-CE1 3.75Å; R144-Y148 HydrophobicContact CB-CD2 4.1Å; G146-Y148 WeakPolarHBondContact O-CD2 3.49Å; Y148-A153 HydrophobicContact CD1-CB 4.22Å; Y148-A153 VanDerWaalsContact CD1-O 3.29Å; Y148-A153 WeakPolarHBondContact CD1-O 3.29Å; Y148-A153 HydrophobicContact CE1-CB 4.49Å; Y148-A154 VanDerWaalsContact O-CA 3.25Å; Y148-A154 WeakPolarHBondContact O-CA 3.15Å; Y148-A154 WeakPolarHBondContact O-CB 3.39Å; Y148-F156 HydrophobicContact CE1-CB 4.42Å; Y148-E157 HydrophobicContact CD1-CB 4.47Å; Y148-E181 PolarHBondContact N-OE2 3.05Å
149T97.7Very high98.2Very high80 Ų8046.8 Ų46.849%0.49127%0.266SS..SBendtrans-79.2-28.8177-530000112.3I179 E181T149-I179 HydrophobicContact CG2-CD1 4.42Å; T149-E181 WeakPolarHBondContact CB-OE1 3.43Å; T149-E181 PolarHBondContact N-OE1 3.42Å; T149-E181 PolarHBondContact N-OE2 3.14Å; T149-E181 PolarHBondContact OG1-OE1 3.14Å; T149-E181 PolarHBondContact OG1-OE2 2.77Å; T149-E181 VanDerWaalsContact OG1-OE2 3.12Å
150E96.3Very high98.2Very high157 Ų15747.3 Ų47.373%0.73427%0.269SS*.SBendtrans-141.4170.3-17664.8178.2-173.600113.1
151G97Very high98.2Very high52 Ų5252.1 Ų52.154%0.53629%0.287SS..SBendtrans67-168.8-179.500000113.6A153 A154G151-A153 PolarHBondContact O-N 3.06Å; G151-A153 VanDerWaalsContact O-N 3.15Å; G151-A154 WeakPolarHBondContact O-CB 3.49Å; G151-A154 PolarHBondContact O-N 2.89Å; G151-A154 VanDerWaalsContact O-N 3.1Å
152P96.9Very high98.2Very high110 Ų11056 Ų5671%0.71430%0.302SS*.G310 helixtrans-61.7-24.9-175.8-2434.3000114.1A154 D155 F156P152-A154 VanDerWaalsContact C-N 3.26Å; P152-A154 PolarHBondContact O-N 2.89Å; P152-D155 PolarHBondContact O-N 2.87Å; P152-F156 VanDerWaalsContact O-CD2 3.32Å; P152-F156 WeakPolarHBondContact O-CD2 3.41Å; P152-F156 WeakPolarHBondContact O-CE2 3.24Å
153A97.8Very high98.2Very high32 Ų3256 Ų5626%0.26430%0.302SS..G310 helixtrans-66.5-28.5178.100000112.3Y147 Y148 G151 D155 F156Y147-A153 VanDerWaalsContact O-CB 3.26Å; Y147-A153 WeakPolarHBondContact O-CB 3.45Å; Y148-A153 HydrophobicContact CD1-CB 4.22Å; Y148-A153 VanDerWaalsContact CD1-O 3.29Å; Y148-A153 WeakPolarHBondContact CD1-O 3.29Å; Y148-A153 HydrophobicContact CE1-CB 4.49Å; G151-A153 PolarHBondContact O-N 3.06Å; G151-A153 VanDerWaalsContact O-N 3.15Å; A153-D155 PolarHBondContact O-N 2.97Å; A153-F156 WeakPolarHBondContact O-CB 3.42Å; A153-F156 PolarHBondContact O-N 2.92Å
154A98.2Very high98.2Very high24 Ų2459.8 Ų59.820%0.19832%0.315CS..G310 helixtrans-61-28.3-179.300000113.5Y148 G151 P152 F156 E157 R161Y148-A154 VanDerWaalsContact O-CA 3.25Å; Y148-A154 WeakPolarHBondContact O-CA 3.15Å; Y148-A154 WeakPolarHBondContact O-CB 3.39Å; G151-A154 WeakPolarHBondContact O-CB 3.49Å; G151-A154 PolarHBondContact O-N 2.89Å; G151-A154 VanDerWaalsContact O-N 3.1Å; P152-A154 VanDerWaalsContact C-N 3.26Å; P152-A154 PolarHBondContact O-N 2.89Å; A154-F156 PolarHBondContact O-N 3.47Å; A154-E157 PolarHBondContact O-N 2.76Å; A154-R161 PolarHBondContact O-NH2 2.8Å; A154-R161 VanDerWaalsContact O-NH2 3.08Å
155D98Very high98.2Very high112 Ų11263.6 Ų63.660%0.59934%0.339SS*.G310 helixtrans-67.9-22.9176.6-71.4-24.7000112.8P152 A153 M158 R161P152-D155 PolarHBondContact O-N 2.87Å; A153-D155 PolarHBondContact O-N 2.97Å; D155-M158 WeakPolarHBondContact O-CE 3.49Å; D155-R161 PolarHBondContact O-NH1 3.1Å
156F98.3Very high98.2Very high114 Ų11463.8 Ų63.850%0.534%0.336SS..G310 helixtrans-91-7.5-179.8-63-82.7000113.7L102 Y148 P152 A153 A154 M158L102-F156 WeakPolarHBondContact CB-O 3.49Å; L102-F156 HydrophobicContact CD1-CB 4.15Å; L102-F156 HydrophobicContact CD1-CD1 4.22Å; L102-F156 HydrophobicContact CD2-CB 4.13Å; Y148-F156 HydrophobicContact CE1-CB 4.42Å; P152-F156 VanDerWaalsContact O-CD2 3.32Å; P152-F156 WeakPolarHBondContact O-CD2 3.41Å; P152-F156 WeakPolarHBondContact O-CE2 3.24Å; A153-F156 WeakPolarHBondContact O-CB 3.42Å; A153-F156 PolarHBondContact O-N 2.92Å; A154-F156 PolarHBondContact O-N 3.47Å; F156-M158 PolarHBondContact O-N 3.25Å
157E98.6Very high98.2Very high11 Ų1162.9 Ų62.95%0.05133%0.326CS..  trans-68.5113.9173.5-158.4-55.7119.800109.8M99 Q142 R144 Y148 A154 G159 D160 R161M99-E157 HydrophobicContact CE-CB 4.38Å; M99-E157 HydrophobicContact CE-CG 3.63Å; Q142-E157 PolarHBondContact NE2-OE1 2.94Å; Q142-E157 PolarHBondContact OE1-OE1 2.88Å; R144-E157 VanDerWaalsContact CZ-CG 3.46Å; R144-E157 VanDerWaalsContact NH2-CG 3.29Å; R144-E157 IonicContact NH2-OE1 3.95Å; R144-E157 IonicContact NH2-OE2 2.95Å; Y148-E157 HydrophobicContact CD1-CB 4.47Å; A154-E157 PolarHBondContact O-N 2.76Å; E157-G159 VanDerWaalsContact OE1-CA 3.31Å; E157-G159 WeakPolarHBondContact OE1-CA 3.2Å; E157-G159 PolarHBondContact OE1-N 2.78Å; E157-D160 PolarHBondContact OE1-N 3.12Å; E157-D160 WeakPolarHBondContact OE2-CB 3.42Å; E157-D160 PolarHBondContact OE2-N 3.42Å; E157-D160 VanDerWaalsContact OE2-N 3.11Å; E157-R161 WeakPolarHBondContact O-CB 3.46Å; E157-R161 PolarHBondContact O-NE 2.96Å; E157-R161 PolarHBondContact OE2-N 2.78Å
158M98.7Very high98.2Very high87 Ų8762.7 Ų62.743%0.42934%0.335SS..  trans-122.8-0.7-177.7-61.3-64.7-178.700113.3L102 S103 D155 F156 Y162L102-M158 WeakPolarHBondContact O-CA 3.29Å; L102-M158 WeakPolarHBondContact O-CB 3.28Å; L102-M158 PolarHBondContact O-N 2.85Å; S103-M158 PolarHBondContact OG-O 3.25Å; D155-M158 WeakPolarHBondContact O-CE 3.49Å; F156-M158 PolarHBondContact O-N 3.25Å; M158-Y162 WeakPolarHBondContact O-CB 3.34Å; M158-Y162 PolarHBondContact O-N 2.61Å
159G98.7Very high98.2Very high0 Ų063.8 Ų63.80%034%0.341CS..Hα-helixtrans-83.7-66.8178.900000111.6L102 F104 E157 R161 Y162 L163L102-G159 PolarHBondContact O-N 2.83Å; F104-G159 WeakPolarHBondContact CD1-O 3.27Å; F104-G159 WeakPolarHBondContact CE1-O 3.35Å; E157-G159 VanDerWaalsContact OE1-CA 3.31Å; E157-G159 WeakPolarHBondContact OE1-CA 3.2Å; E157-G159 PolarHBondContact OE1-N 2.78Å; G159-R161 VanDerWaalsContact C-N 3.27Å; G159-R161 PolarHBondContact O-N 3.29Å; G159-Y162 PolarHBondContact O-N 2.86Å; G159-L163 PolarHBondContact O-N 2.89Å; G159-L163 VanDerWaalsContact O-N 3.1Å
160D98.7Very high98.3Very high12 Ų1260 Ų606%0.06432%0.318CS..Hα-helixtrans-61.7-39.9176.1-176.970.9000110.8H140 E157 Y162 L163 R164 Y175 T177H140-D160 IonicContact CE1-OD1 2.81Å; H140-D160 IonicContact CG-OD1 3.94Å; H140-D160 IonicContact ND1-OD1 2.57Å; H140-D160 PolarHBondContact ND1-OD1 2.91Å; E157-D160 PolarHBondContact OE1-N 3.12Å; E157-D160 WeakPolarHBondContact OE2-CB 3.42Å; E157-D160 PolarHBondContact OE2-N 3.42Å; E157-D160 VanDerWaalsContact OE2-N 3.11Å; D160-Y162 PolarHBondContact O-N 3.42Å; D160-L163 PolarHBondContact O-N 3.27Å; D160-R164 VanDerWaalsContact O-CB 3.27Å; D160-R164 WeakPolarHBondContact O-CB 3.09Å; D160-R164 PolarHBondContact O-N 2.6Å; D160-R164 IonicContact OD1-NH2 3.44Å; D160-R164 IonicContact OD2-CZ 2.96Å; D160-R164 IonicContact OD2-NE 3.97Å; D160-R164 IonicContact OD2-NH2 2.67Å; D160-R164 PolarHBondContact OD2-NH2 3.44Å; D160-Y175 WeakPolarHBondContact OD1-CE1 3.41Å; D160-Y175 PolarHBondContact OD1-OH 2.72Å; D160-T177 WeakPolarHBondContact OD1-CG2 3.39Å; D160-T177 PolarHBondContact OD1-OG1 3.4Å; D160-T177 PolarHBondContact OD2-OG1 3.44Å
161R98.7Very high98.4Very high101 Ų10153.5 Ų53.538%0.38129%0.293SS..Hα-helixtrans-54.9-52176.3-176.6-178.7-71.1165.6-0.9111.8A154 D155 E157 G159 R164 T165A154-R161 PolarHBondContact O-NH2 2.8Å; A154-R161 VanDerWaalsContact O-NH2 3.08Å; D155-R161 PolarHBondContact O-NH1 3.1Å; E157-R161 WeakPolarHBondContact O-CB 3.46Å; E157-R161 PolarHBondContact O-NE 2.96Å; E157-R161 PolarHBondContact OE2-N 2.78Å; G159-R161 VanDerWaalsContact C-N 3.27Å; G159-R161 PolarHBondContact O-N 3.29Å; R161-R164 PolarHBondContact O-N 2.81Å; R161-T165 WeakPolarHBondContact O-CB 3.38Å; R161-T165 PolarHBondContact O-N 2.89Å; R161-T165 PolarHBondContact O-OG1 3.36Å
162Y98.9Very high98.5Very high80 Ų8051.4 Ų51.431%0.31427%0.27SS..Hα-helixtrans-64.3-44.5-179.5-178.6-88.9000111.6F104 K109 I112 M158 G159 D160 R164 T165 I166F104-Y162 AromaticContact CE1-CD1 3.65Å; F104-Y162 HydrophobicContact CE1-CD1 3.65Å; F104-Y162 HydrophobicContact CE1-CG 4.23Å; F104-Y162 AromaticContact CZ-CD1 3.39Å; F104-Y162 HydrophobicContact CZ-CD1 3.39Å; F104-Y162 AromaticContact CZ-CE1 3.93Å; F104-Y162 HydrophobicContact CZ-CE1 3.93Å; F104-Y162 HydrophobicContact CZ-CG 4.12Å; K109-Y162 HydrophobicContact CD-CE1 4.14Å; K109-Y162 VanDerWaalsContact CE-OH 3.28Å; K109-Y162 WeakPolarHBondContact CE-OH 3.43Å; I112-Y162 HydrophobicContact CD1-CD1 4.01Å; I112-Y162 HydrophobicContact CD1-CE1 3.7Å; I112-Y162 HydrophobicContact CG2-CE1 4.13Å; M158-Y162 WeakPolarHBondContact O-CB 3.34Å; M158-Y162 PolarHBondContact O-N 2.61Å; G159-Y162 PolarHBondContact O-N 2.86Å; D160-Y162 PolarHBondContact O-N 3.42Å; Y162-R164 PolarHBondContact O-N 3.05Å; Y162-T165 PolarHBondContact O-N 2.93Å; Y162-I166 HydrophobicContact CE1-CG2 4.49Å; Y162-I166 PolarHBondContact O-N 3.39Å
163L98.9Very high98.5Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-63.1-41.7179.9-174.462.5000111.5F95 F104 I112 H140 G159 D160 I166 M167 Y175F95-L163 HydrophobicContact CB-CD2 3.72Å; F95-L163 HydrophobicContact CD1-CD1 4.43Å; F95-L163 HydrophobicContact CD1-CD2 4.25Å; F95-L163 HydrophobicContact CD2-CD1 4.35Å; F95-L163 HydrophobicContact CD2-CD2 3.94Å; F95-L163 HydrophobicContact CE1-CD1 4.34Å; F95-L163 HydrophobicContact CE2-CD1 4.27Å; F95-L163 HydrophobicContact CG-CD1 4.42Å; F95-L163 HydrophobicContact CG-CD2 3.71Å; F95-L163 HydrophobicContact CZ-CD1 4.26Å; F104-L163 HydrophobicContact CE1-CB 4.47Å; I112-L163 HydrophobicContact CD1-CD1 3.94Å; H140-L163 HydrophobicContact CB-CD2 3.95Å; G159-L163 PolarHBondContact O-N 2.89Å; G159-L163 VanDerWaalsContact O-N 3.1Å; D160-L163 PolarHBondContact O-N 3.27Å; L163-I166 HydrophobicContact CD1-CG2 4.26Å; L163-I166 VanDerWaalsContact O-CG2 3.29Å; L163-I166 WeakPolarHBondContact O-CG2 3.44Å; L163-I166 PolarHBondContact O-N 3.13Å; L163-M167 HydrophobicContact CD1-CE 3.69Å; L163-M167 HydrophobicContact CD1-CG 4.33Å; L163-M167 WeakPolarHBondContact O-CB 3.29Å; L163-M167 WeakPolarHBondContact O-CG 3.39Å; L163-M167 PolarHBondContact O-N 3.42Å; L163-Y175 WeakPolarHBondContact CB-OH 3.08Å; L163-Y175 WeakPolarHBondContact CD2-OH 3.45Å; L163-Y175 HydrophobicContact CG-CE2 4.05Å; L163-Y175 WeakPolarHBondContact CG-OH 3.19Å
164R98.8Very high98.6Very high91 Ų9151.1 Ų51.134%0.34327%0.266SS..Hα-helixtrans-60.6-49.4172.3-174.9-176.9-57-80.1-7.8111.5D160 R161 Y162 I166 M167 T168 Y175 T177D160-R164 VanDerWaalsContact O-CB 3.27Å; D160-R164 WeakPolarHBondContact O-CB 3.09Å; D160-R164 PolarHBondContact O-N 2.6Å; D160-R164 IonicContact OD1-NH2 3.44Å; D160-R164 IonicContact OD2-CZ 2.96Å; D160-R164 IonicContact OD2-NE 3.97Å; D160-R164 IonicContact OD2-NH2 2.67Å; D160-R164 PolarHBondContact OD2-NH2 3.44Å; R161-R164 PolarHBondContact O-N 2.81Å; Y162-R164 PolarHBondContact O-N 3.05Å; R164-I166 VanDerWaalsContact C-N 3.34Å; R164-I166 PolarHBondContact O-N 3.08Å; R164-M167 PolarHBondContact O-N 3.38Å; R164-T168 WeakPolarHBondContact O-CB 3.03Å; R164-T168 PolarHBondContact O-N 3.1Å; R164-T168 PolarHBondContact O-OG1 3.17Å; R164-Y175 VanDerWaalsContact CA-CE2 3.47Å; R164-Y175 HydrophobicContact CB-CD1 4.35Å; R164-Y175 HydrophobicContact CB-CD2 4.42Å; R164-Y175 HydrophobicContact CB-CE1 4.01Å; R164-Y175 HydrophobicContact CB-CE2 4.11Å; R164-Y175 HydrophobicContact CG-CD1 4.22Å; R164-Y175 HydrophobicContact CG-CD2 4.49Å; R164-Y175 HydrophobicContact CG-CE1 4.37Å; R164-Y175 HydrophobicContact CG-CG 4.26Å; R164-Y175 PolarHBondContact N-OH 3.26Å; R164-Y175 PolarHBondContact NH1-O 3.41Å; R164-T177 PolarHBondContact NH2-OG1 2.85Å
165T98.7Very high98.6Very high88 Ų8851.4 Ų51.454%0.5426%0.263SS..Hα-helixtrans-57.4-46.8179.5-64.30000111.5R161 Y162 T168 F169R161-T165 WeakPolarHBondContact O-CB 3.38Å; R161-T165 PolarHBondContact O-N 2.89Å; R161-T165 PolarHBondContact O-OG1 3.36Å; Y162-T165 PolarHBondContact O-N 2.93Å; T165-T168 PolarHBondContact O-N 2.82Å; T165-F169 WeakPolarHBondContact O-CB 3.44Å; T165-F169 PolarHBondContact O-N 3.44Å
166I98.8Very high98.6Very high21 Ų2149 Ų4911%0.10825%0.248CC..Hα-helixtrans-69.4-39.7-179.3-163.768.8000111.5I112 Y162 L163 R164 T168 F169 L170I112-I166 HydrophobicContact CD1-CG2 4.22Å; I112-I166 HydrophobicContact CG2-CB 4.44Å; I112-I166 HydrophobicContact CG2-CG1 3.78Å; I112-I166 HydrophobicContact CG2-CG2 4.17Å; Y162-I166 HydrophobicContact CE1-CG2 4.49Å; Y162-I166 PolarHBondContact O-N 3.39Å; L163-I166 HydrophobicContact CD1-CG2 4.26Å; L163-I166 VanDerWaalsContact O-CG2 3.29Å; L163-I166 WeakPolarHBondContact O-CG2 3.44Å; L163-I166 PolarHBondContact O-N 3.13Å; R164-I166 VanDerWaalsContact C-N 3.34Å; R164-I166 PolarHBondContact O-N 3.08Å; I166-T168 VanDerWaalsContact C-N 3.33Å; I166-T168 PolarHBondContact O-N 3.39Å; I166-F169 HydrophobicContact CD1-CB 4.45Å; I166-F169 HydrophobicContact CD1-CD1 3.72Å; I166-F169 HydrophobicContact CD1-CE1 4.42Å; I166-F169 HydrophobicContact CD1-CG 4.37Å; I166-F169 WeakPolarHBondContact O-CB 3.49Å; I166-F169 PolarHBondContact O-N 3.38Å; I166-F169 VanDerWaalsContact O-N 3.12Å; I166-L170 HydrophobicContact CG1-CD1 4.42Å; I166-L170 HydrophobicContact CG1-CG 4.38Å; I166-L170 VanDerWaalsContact O-CG 3.3Å; I166-L170 WeakPolarHBondContact O-CG 3.47Å; I166-L170 PolarHBondContact O-N 3.12Å
167M98.8Very high98.6Very high1 Ų145.5 Ų45.51%0.00524%0.235CC..Hα-helixtrans-65.4-38.1177.6-67.1-60.8151.800111.8F87 F95 I115 V138 L163 R164 L170 G171 V172 Y175F87-M167 HydrophobicContact CZ-CE 4.1Å; F87-M167 HydrophobicContact CZ-SD 4.25Å; F95-M167 HydrophobicContact CE2-CE 3.76Å; F95-M167 HydrophobicContact CZ-CE 3.72Å; I115-M167 HydrophobicContact CD1-CE 4.08Å; V138-M167 HydrophobicContact CG1-CG 4.41Å; V138-M167 HydrophobicContact CG2-CB 4.33Å; V138-M167 HydrophobicContact CG2-CG 3.89Å; V138-M167 HydrophobicContact CG2-SD 3.86Å; L163-M167 HydrophobicContact CD1-CE 3.69Å; L163-M167 HydrophobicContact CD1-CG 4.33Å; L163-M167 WeakPolarHBondContact O-CB 3.29Å; L163-M167 WeakPolarHBondContact O-CG 3.39Å; L163-M167 PolarHBondContact O-N 3.42Å; R164-M167 PolarHBondContact O-N 3.38Å; M167-L170 PolarHBondContact O-N 3.03Å; M167-G171 PolarHBondContact O-N 2.95Å; M167-G171 VanDerWaalsContact O-N 3.14Å; M167-V172 HydrophobicContact CB-CB 4.24Å; M167-V172 HydrophobicContact CB-CG2 4.25Å; M167-V172 WeakPolarHBondContact O-CB 3.31Å; M167-V172 PolarHBondContact O-N 3.06Å; M167-V172 HydrophobicContact SD-CG2 4.2Å; M167-Y175 HydrophobicContact CB-CD2 3.8Å; M167-Y175 HydrophobicContact CB-CE2 4.06Å; M167-Y175 HydrophobicContact CG-CD2 4.08Å; M167-Y175 HydrophobicContact CG-CE2 3.92Å
168T98.3Very high98.6Very high91 Ų9145.5 Ų45.556%0.55824%0.236SC*.Hα-helixtrans-62-44.2170-60.40000111.6R164 T165 I166 L170 G171R164-T168 WeakPolarHBondContact O-CB 3.03Å; R164-T168 PolarHBondContact O-N 3.1Å; R164-T168 PolarHBondContact O-OG1 3.17Å; T165-T168 PolarHBondContact O-N 2.82Å; I166-T168 VanDerWaalsContact C-N 3.33Å; I166-T168 PolarHBondContact O-N 3.39Å; T168-L170 VanDerWaalsContact C-N 3.32Å; T168-L170 PolarHBondContact O-N 3.47Å; T168-G171 WeakPolarHBondContact O-CA 3.35Å; T168-G171 PolarHBondContact O-N 2.77Å
169F98.5Very high98.6Very high75 Ų7544.4 Ų44.433%0.32923%0.231SC..Hα-helixtrans-59.8-41.2175.7167.6-97000112.4F122 P129 G131 T165 I166 G171F122-F169 HydrophobicContact CB-CE1 4.13Å; F122-F169 HydrophobicContact CB-CZ 4.25Å; F122-F169 AromaticContact CD1-CE1 3.81Å; F122-F169 HydrophobicContact CD1-CE1 3.81Å; F122-F169 HydrophobicContact CD1-CZ 4.12Å; F122-F169 HydrophobicContact CD2-CE1 4.27Å; F122-F169 AromaticContact CD2-CZ 3.77Å; F122-F169 HydrophobicContact CD2-CZ 3.77Å; F122-F169 HydrophobicContact CE1-CE1 4.24Å; F122-F169 HydrophobicContact CE1-CZ 4.4Å; F122-F169 HydrophobicContact CE2-CZ 4.07Å; F122-F169 AromaticContact CG-CE1 3.81Å; F122-F169 HydrophobicContact CG-CE1 3.81Å; F122-F169 AromaticContact CG-CZ 3.78Å; F122-F169 HydrophobicContact CG-CZ 3.78Å; F122-F169 HydrophobicContact CZ-CZ 4.37Å; P129-F169 HydrophobicContact CB-CD2 4.46Å; P129-F169 HydrophobicContact CB-CE2 3.48Å; P129-F169 VanDerWaalsContact CB-CE2 3.48Å; P129-F169 HydrophobicContact CB-CZ 3.96Å; P129-F169 HydrophobicContact CG-CE2 4.04Å; G131-F169 VanDerWaalsContact CA-O 3.25Å; G131-F169 WeakPolarHBondContact CA-O 3.48Å; G131-F169 PolarHBondContact N-O 2.87Å; T165-F169 WeakPolarHBondContact O-CB 3.44Å; T165-F169 PolarHBondContact O-N 3.44Å; I166-F169 HydrophobicContact CD1-CB 4.45Å; I166-F169 HydrophobicContact CD1-CD1 3.72Å; I166-F169 HydrophobicContact CD1-CE1 4.42Å; I166-F169 HydrophobicContact CD1-CG 4.37Å; I166-F169 WeakPolarHBondContact O-CB 3.49Å; I166-F169 PolarHBondContact O-N 3.38Å; I166-F169 VanDerWaalsContact O-N 3.12Å; F169-G171 PolarHBondContact O-N 3.5Å
170L98.8Very high98.6Very high0 Ų044.5 Ų44.50%023%0.231CC..THydrogen-bonded Turntrans-74.2-3.9175.8-60.6-177.5000113.1I115 F122 G131 L132 L133 I166 M167 T168I115-L170 HydrophobicContact CD1-CD1 4.14Å; F122-L170 HydrophobicContact CB-CD2 4.4Å; F122-L170 HydrophobicContact CD1-CD2 4.26Å; G131-L170 CarbonylContact C-O 3.57Å; G131-L170 WeakPolarHBondContact CA-O 3.41Å; L132-L170 PolarHBondContact N-O 3.1Å; L133-L170 WeakPolarHBondContact CB-O 3.29Å; L133-L170 HydrophobicContact CD1-CB 3.94Å; L133-L170 HydrophobicContact CD1-CD1 4.25Å; L133-L170 HydrophobicContact CG-CB 4.29Å; L133-L170 WeakPolarHBondContact CG-O 3.48Å; L133-L170 PolarHBondContact N-O 3.34Å; I166-L170 HydrophobicContact CG1-CD1 4.42Å; I166-L170 HydrophobicContact CG1-CG 4.38Å; I166-L170 VanDerWaalsContact O-CG 3.3Å; I166-L170 WeakPolarHBondContact O-CG 3.47Å; I166-L170 PolarHBondContact O-N 3.12Å; M167-L170 PolarHBondContact O-N 3.03Å; T168-L170 VanDerWaalsContact C-N 3.32Å; T168-L170 PolarHBondContact O-N 3.47Å
171G98.5Very high98.6Very high21 Ų2145.3 Ų45.322%0.21624%0.235CC..THydrogen-bonded Turntrans91.112.317100000114.8L133 T134 M167 T168 F169 P173L133-G171 CarbonylContact C-O 3.56Å; L133-G171 CarbonylContact O-C 3.47Å; T134-G171 WeakPolarHBondContact CA-O 3.4Å; M167-G171 PolarHBondContact O-N 2.95Å; M167-G171 VanDerWaalsContact O-N 3.14Å; T168-G171 WeakPolarHBondContact O-CA 3.35Å; T168-G171 PolarHBondContact O-N 2.77Å; F169-G171 PolarHBondContact O-N 3.5Å; G171-P173 WeakPolarHBondContact O-CD 3.28Å
172V98.7Very high98.6Very high9 Ų940.5 Ų40.56%0.05522%0.217CC..  trans-67.6119.3178-176.80000109.7L133 K136 V138 M167 S174L133-V172 HydrophobicContact CB-CG2 3.91Å; L133-V172 HydrophobicContact CD1-CG2 4.35Å; L133-V172 WeakPolarHBondContact O-CA 3.32Å; K136-V172 HydrophobicContact CB-CG1 4.34Å; K136-V172 HydrophobicContact CB-CG2 4.44Å; K136-V172 WeakPolarHBondContact O-CG1 3.36Å; V138-V172 HydrophobicContact CB-CG1 4.48Å; V138-V172 HydrophobicContact CG2-CG1 3.8Å; V138-V172 HydrophobicContact CG2-CG2 4.41Å; M167-V172 HydrophobicContact CB-CB 4.24Å; M167-V172 HydrophobicContact CB-CG2 4.25Å; M167-V172 WeakPolarHBondContact O-CB 3.31Å; M167-V172 PolarHBondContact O-N 3.06Å; M167-V172 HydrophobicContact SD-CG2 4.2Å; V172-S174 WeakPolarHBondContact CG1-O 3.29Å
173P98.1Very high98.5Very high95 Ų9537.9 Ų37.962%0.61721%0.207SC*.SBendtrans-77.8-22-173.730.8-38.5000114.2K136 G171K136-P173 VanDerWaalsContact O-CD 3.31Å; K136-P173 WeakPolarHBondContact O-CD 3.26Å; G171-P173 WeakPolarHBondContact O-CD 3.28Å
174S98.3Very high98.5Very high41 Ų4143.2 Ų43.229%0.28724%0.236SC..EExtended strand (participates in β ladder)trans-126.6122.6-173.7-177.70000111K137 V138 V172K137-S174 WeakPolarHBondContact CE-OG 3.37Å; V138-S174 PolarHBondContact N-O 3.1Å; V172-S174 WeakPolarHBondContact CG1-O 3.29Å
175Y98.7Very high98.4Very high30 Ų3041.7 Ų41.712%0.11824%0.243CC..EExtended strand (participates in β ladder)trans-139.1113.7179.7-169.4-68.9000110.3V138 H140 D160 L163 R164 M167 T177V138-Y175 HydrophobicContact CB-CD2 3.76Å; V138-Y175 HydrophobicContact CB-CE2 4.24Å; V138-Y175 HydrophobicContact CB-CG 4.35Å; V138-Y175 HydrophobicContact CG1-CD2 3.54Å; V138-Y175 HydrophobicContact CG1-CE2 3.5Å; V138-Y175 VanDerWaalsContact CG1-CE2 3.5Å; V138-Y175 HydrophobicContact CG1-CG 4.29Å; V138-Y175 HydrophobicContact CG2-CD2 4.46Å; V138-Y175 WeakPolarHBondContact O-CA 3.37Å; H140-Y175 HydrophobicContact CB-CE1 4.1Å; H140-Y175 VanDerWaalsContact CB-OH 3.31Å; H140-Y175 WeakPolarHBondContact CB-OH 3.39Å; D160-Y175 WeakPolarHBondContact OD1-CE1 3.41Å; D160-Y175 PolarHBondContact OD1-OH 2.72Å; L163-Y175 WeakPolarHBondContact CB-OH 3.08Å; L163-Y175 WeakPolarHBondContact CD2-OH 3.45Å; L163-Y175 HydrophobicContact CG-CE2 4.05Å; L163-Y175 WeakPolarHBondContact CG-OH 3.19Å; R164-Y175 VanDerWaalsContact CA-CE2 3.47Å; R164-Y175 HydrophobicContact CB-CD1 4.35Å; R164-Y175 HydrophobicContact CB-CD2 4.42Å; R164-Y175 HydrophobicContact CB-CE1 4.01Å; R164-Y175 HydrophobicContact CB-CE2 4.11Å; R164-Y175 HydrophobicContact CG-CD1 4.22Å; R164-Y175 HydrophobicContact CG-CD2 4.49Å; R164-Y175 HydrophobicContact CG-CE1 4.37Å; R164-Y175 HydrophobicContact CG-CG 4.26Å; R164-Y175 PolarHBondContact N-OH 3.26Å; R164-Y175 PolarHBondContact NH1-O 3.41Å; M167-Y175 HydrophobicContact CB-CD2 3.8Å; M167-Y175 HydrophobicContact CB-CE2 4.06Å; M167-Y175 HydrophobicContact CG-CD2 4.08Å; M167-Y175 HydrophobicContact CG-CE2 3.92Å; Y175-T177 WeakPolarHBondContact CE1-OG1 3.43Å
176E98.5Very high98.3Very high62 Ų6239.8 Ų39.829%0.2923%0.228SC..EExtended strand (participates in β ladder)trans-109.2153.8176.8-58.7-167.1-122.600111K137 V138 L139 H140 L204K137-E176 WeakPolarHBondContact CE-OE1 3.38Å; K137-E176 IonicContact NZ-OE1 2.79Å; K137-E176 PolarHBondContact NZ-OE1 2.83Å; V138-E176 PolarHBondContact O-N 2.87Å; L139-E176 CarbonylContact C-O 3.58Å; L139-E176 WeakPolarHBondContact CA-O 3.34Å; L139-E176 HydrophobicContact CD1-CB 4.09Å; H140-E176 PolarHBondContact N-O 2.92Å; E176-L204 HydrophobicContact CB-CD2 4.43Å; E176-L204 WeakPolarHBondContact OE2-CD1 3.31Å
177T98.6Very high98.3Very high39 Ų3943.1 Ų43.124%0.23925%0.251CS..EExtended strand (participates in β ladder)trans-133.7132.8176.8-50.50000110.6H140 D160 R164 Y175 I179H140-T177 CarbonylContact O-C 3.43Å; H140-T177 WeakPolarHBondContact O-CA 3.39Å; H140-T177 WeakPolarHBondContact O-CG2 3.41Å; D160-T177 WeakPolarHBondContact OD1-CG2 3.39Å; D160-T177 PolarHBondContact OD1-OG1 3.4Å; D160-T177 PolarHBondContact OD2-OG1 3.44Å; R164-T177 PolarHBondContact NH2-OG1 2.85Å; Y175-T177 WeakPolarHBondContact CE1-OG1 3.43Å; T177-I179 HydrophobicContact CG2-CD1 4.45Å; T177-I179 HydrophobicContact CG2-CG1 3.65Å
178I98.7Very high98.2Very high12 Ų1250.3 Ų50.36%0.06228%0.284CS..EExtended strand (participates in β ladder)trans-101.6114.1161.9-67.1169.7000107.4L139 H140 I141 Q142 I180 A201 L204L139-I178 HydrophobicContact CD1-CD1 4.27Å; L139-I178 HydrophobicContact CD1-CG1 4.12Å; L139-I178 HydrophobicContact CD2-CD1 4.4Å; H140-I178 PolarHBondContact O-N 2.91Å; I141-I178 WeakPolarHBondContact CA-O 3.42Å; I141-I178 HydrophobicContact CD1-CD1 4.4Å; I141-I178 HydrophobicContact CG1-CB 4.22Å; I141-I178 HydrophobicContact CG1-CD1 4.24Å; I141-I178 HydrophobicContact CG2-CB 4.34Å; I141-I178 HydrophobicContact CG2-CG2 4.32Å; Q142-I178 PolarHBondContact N-O 3.17Å; I178-I180 HydrophobicContact CG2-CG1 4.17Å; I178-A201 HydrophobicContact CD1-CB 3.96Å; I178-L204 HydrophobicContact CD1-CB 4.41Å; I178-L204 HydrophobicContact CD1-CD2 3.91Å; I178-L204 HydrophobicContact CG1-CD2 4.08Å
179I98.5Very high98.1Very high63 Ų6349 Ų4932%0.32327%0.271SS..EExtended strand (participates in β ladder)trans-97.3126178.7-57173.3000108.5T149 T177 E181T149-I179 HydrophobicContact CG2-CD1 4.42Å; T177-I179 HydrophobicContact CG2-CD1 4.45Å; T177-I179 HydrophobicContact CG2-CG1 3.65Å; I179-E181 HydrophobicContact CG2-CB 4.03Å; I179-E181 HydrophobicContact CG2-CG 3.85Å
180I98.7Very high98Very high2 Ų247.2 Ų47.21%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-118.396177.5-43.9172.5000107.9N18 A22 I141 Q142 S143 R144 I178 I193N18-I180 HydrophobicContact CB-CG2 4.13Å; N18-I180 WeakPolarHBondContact O-CD1 3.49Å; A22-I180 HydrophobicContact CB-CD1 3.49Å; A22-I180 VanDerWaalsContact CB-CD1 3.49Å; I141-I180 HydrophobicContact CG2-CD1 3.96Å; Q142-I180 PolarHBondContact O-N 3.36Å; S143-I180 CarbonylContact C-O 3.5Å; S143-I180 VanDerWaalsContact CA-O 3.28Å; S143-I180 WeakPolarHBondContact CA-O 3.37Å; S143-I180 PolarHBondContact OG-O 3.44Å; R144-I180 PolarHBondContact N-O 3.06Å; I178-I180 HydrophobicContact CG2-CG1 4.17Å; I180-I193 HydrophobicContact CG2-CG2 3.7Å
181E98.5Very high97.9Very high30 Ų3054 Ų5414%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-130.5158-168.367.6176.1-164.300115.3R144 G146 Y147 Y148 T149 I179R144-E181 HydrophobicContact CB-CB 3.9Å; R144-E181 HydrophobicContact CG-CB 4.46Å; R144-E181 IonicContact NH1-OE2 3.99Å; R144-E181 PolarHBondContact NH1-OE2 3.05Å; R144-E181 VanDerWaalsContact O-CA 3.29Å; R144-E181 WeakPolarHBondContact O-CA 3.41Å; G146-E181 WeakPolarHBondContact O-CB 3.48Å; Y147-E181 HydrophobicContact CD1-CG 3.87Å; Y147-E181 HydrophobicContact CE1-CG 4.29Å; Y148-E181 PolarHBondContact N-OE2 3.05Å; T149-E181 WeakPolarHBondContact CB-OE1 3.43Å; T149-E181 PolarHBondContact N-OE1 3.42Å; T149-E181 PolarHBondContact N-OE2 3.14Å; T149-E181 PolarHBondContact OG1-OE1 3.14Å; T149-E181 PolarHBondContact OG1-OE2 2.77Å; T149-E181 VanDerWaalsContact OG1-OE2 3.12Å; I179-E181 HydrophobicContact CG2-CB 4.03Å; I179-E181 HydrophobicContact CG2-CG 3.85Å
182G98.2Very high97.9Very high0 Ų059 Ų590%032%0.315CS..  trans91.8-5.9173.100000116.4R144 G145 G146 N184 A185 E186R144-G182 PolarHBondContact O-N 2.92Å; G145-G182 CarbonylContact O-C 3.23Å; G145-G182 VanDerWaalsContact O-C 3.23Å; G145-G182 WeakPolarHBondContact O-CA 3.49Å; G146-G182 PolarHBondContact O-N 3.32Å; G182-N184 VanDerWaalsContact C-N 3.26Å; G182-N184 PolarHBondContact O-N 2.99Å; G182-A185 CarbonylContact O-C 3.59Å; G182-A185 PolarHBondContact O-N 3.32Å; G182-E186 PolarHBondContact O-N 3.49Å
183H97.6Very high97.8Very high24 Ų2459.7 Ų59.711%0.11132%0.318CS..THydrogen-bonded Turntrans-67-19.1-173.561.5-86.1000115.2N18 S143 R144 G145 P187 T190 I193N18-H183 PolarHBondContact ND2-CD2 2.98Å; N18-H183 VanDerWaalsContact ND2-CG 3.35Å; S143-H183 PolarHBondContact OG-CE1 3.34Å; R144-H183 VanDerWaalsContact C-CE1 3.48Å; R144-H183 PolarHBondContact O-CE1 3.25Å; R144-H183 PolarHBondContact O-ND1 3.43Å; R144-H183 VanDerWaalsContact O-ND1 3.12Å; G145-H183 PolarHBondContact O-N 2.98Å; H183-P187 WeakPolarHBondContact O-CA 3.36Å; H183-T190 HydrophobicContact CB-CG2 4.24Å; H183-T190 PolarHBondContact O-OG1 3.44Å; H183-T190 VanDerWaalsContact O-OG1 3.1Å; H183-I193 HydrophobicContact CB-CD1 4.07Å; H183-I193 HydrophobicContact CB-CG2 4.37Å
184N97.5Very high97.7Very high112 Ų11256.9 Ų56.960%0.59930%0.296SS*.THydrogen-bonded Turntrans-93.5-28.7170.3-65.3-17.4000112G145 G182G145-N184 WeakPolarHBondContact CA-ND2 3.32Å; G145-N184 WeakPolarHBondContact O-CA 2.92Å; G145-N184 WeakPolarHBondContact O-CB 3.45Å; G145-N184 PolarHBondContact O-N 3.11Å; G182-N184 VanDerWaalsContact C-N 3.26Å; G182-N184 PolarHBondContact O-N 2.99Å
185A97.5Very high97.7Very high60 Ų6057.1 Ų57.150%0.49630%0.301SS..THydrogen-bonded Turntrans-72.1-34.4174.400000111.9G145 Y147 G182G145-A185 PolarHBondContact O-N 3.03Å; G145-A185 VanDerWaalsContact O-N 3.1Å; Y147-A185 HydrophobicContact CD2-CB 4.34Å; Y147-A185 HydrophobicContact CE2-CB 4.07Å; G182-A185 CarbonylContact O-C 3.59Å; G182-A185 PolarHBondContact O-N 3.32Å
186E97.6Very high97.7Very high48 Ų4858.9 Ų58.922%0.22432%0.315CS..SBendtrans-126.873.7177.3-60.1-160.180.900110.9Y147 G182 H188 K189Y147-E186 HydrophobicContact CE2-CG 4.4Å; Y147-E186 PolarHBondContact OH-OE2 3.26Å; G182-E186 PolarHBondContact O-N 3.49Å; E186-H188 PolarHBondContact O-N 3.5Å; E186-H188 IonicContact OE1-CE1 3.76Å; E186-H188 PolarHBondContact OE1-CE1 2.67Å; E186-H188 IonicContact OE1-NE2 3.56Å; E186-K189 HydrophobicContact CB-CB 4.25Å; E186-K189 HydrophobicContact CB-CD 4.1Å; E186-K189 HydrophobicContact CB-CG 4.2Å; E186-K189 PolarHBondContact O-N 3.45Å; E186-K189 WeakPolarHBondContact OE1-CE 3.36Å; E186-K189 IonicContact OE1-NZ 2.75Å; E186-K189 PolarHBondContact OE1-NZ 3.1Å; E186-K189 IonicContact OE2-NZ 3.82Å; E186-K189 PolarHBondContact OE2-NZ 3.38Å
187P96.9Very high97.7Very high91 Ų9156 Ų5659%0.59130%0.302SS*.G310 helixtrans-59.8-22.8-175.4-25.735.4000114.8H183 K189 T190H183-P187 WeakPolarHBondContact O-CA 3.36Å; P187-K189 PolarHBondContact O-N 3.38Å; P187-T190 PolarHBondContact O-N 3.17Å; P187-T190 PolarHBondContact O-OG1 3.05Å
188H97.5Very high97.7Very high151 Ų15156.2 Ų56.270%0.69930%0.301SS*.G310 helixtrans-72.8-13.6175.867-79.4000113.2E186E186-H188 PolarHBondContact O-N 3.5Å; E186-H188 IonicContact OE1-CE1 3.76Å; E186-H188 PolarHBondContact OE1-CE1 2.67Å; E186-H188 IonicContact OE1-NE2 3.56Å
189K97Very high97.7Very high65 Ų6560.2 Ų60.228%0.28332%0.323SS..G310 helixtrans-103.52.9177.2-62.8-174.4-178.3165.10113.5E186 P187 E191 E192 I193E186-K189 HydrophobicContact CB-CB 4.25Å; E186-K189 HydrophobicContact CB-CD 4.1Å; E186-K189 HydrophobicContact CB-CG 4.2Å; E186-K189 PolarHBondContact O-N 3.45Å; E186-K189 WeakPolarHBondContact OE1-CE 3.36Å; E186-K189 IonicContact OE1-NZ 2.75Å; E186-K189 PolarHBondContact OE1-NZ 3.1Å; E186-K189 IonicContact OE2-NZ 3.82Å; E186-K189 PolarHBondContact OE2-NZ 3.38Å; P187-K189 PolarHBondContact O-N 3.38Å; K189-E191 VanDerWaalsContact C-N 3.32Å; K189-E191 PolarHBondContact O-N 2.96Å; K189-E192 PolarHBondContact O-N 3.04Å; K189-E192 VanDerWaalsContact O-N 3.09Å; K189-I193 HydrophobicContact CB-CD1 3.81Å; K189-I193 HydrophobicContact CB-CG1 4.16Å; K189-I193 WeakPolarHBondContact O-CB 3.48Å; K189-I193 WeakPolarHBondContact O-CG1 3.47Å; K189-I193 PolarHBondContact O-N 3.02Å
190T95.9Very high97.7Very high37 Ų3761.1 Ų61.123%0.22733%0.328CS..Hα-helixtrans-53.3-46.8-174-58.40000112.8H183 P187 I193 K194H183-T190 HydrophobicContact CB-CG2 4.24Å; H183-T190 PolarHBondContact O-OG1 3.44Å; H183-T190 VanDerWaalsContact O-OG1 3.1Å; P187-T190 PolarHBondContact O-N 3.17Å; P187-T190 PolarHBondContact O-OG1 3.05Å; T190-I193 PolarHBondContact O-N 3.46Å; T190-K194 WeakPolarHBondContact O-CB 3.44Å; T190-K194 PolarHBondContact O-N 2.92Å
191E96Very high97.7Very high142 Ų14261 Ų6166%0.66433%0.328SS*.Hα-helixtrans-67.2-38.6179-65.4-54.7126.100112.6K189 K194 A195K189-E191 VanDerWaalsContact C-N 3.32Å; K189-E191 PolarHBondContact O-N 2.96Å; E191-K194 PolarHBondContact O-N 2.88Å; E191-A195 VanDerWaalsContact O-CB 3.32Å; E191-A195 WeakPolarHBondContact O-CB 3.4Å; E191-A195 PolarHBondContact O-N 3.43Å
192E98Very high97.7Very high125 Ų12563.1 Ų63.158%0.58434%0.338SS*.Hα-helixtrans-65.2-43.9176.1-176.7-170.5155.900111.6K189 A195 T196K189-E192 PolarHBondContact O-N 3.04Å; K189-E192 VanDerWaalsContact O-N 3.09Å; E192-A195 PolarHBondContact O-N 3.25Å; E192-T196 WeakPolarHBondContact O-CB 3.27Å; E192-T196 PolarHBondContact O-N 3.43Å; E192-T196 PolarHBondContact O-OG1 3.38Å
193I97.5Very high97.7Very high24 Ų2470.7 Ų70.712%0.12337%0.37CS..Hα-helixtrans-63-44.7176.8-69.8164.2000109.8I180 H183 K189 T190 T196 S197I180-I193 HydrophobicContact CG2-CG2 3.7Å; H183-I193 HydrophobicContact CB-CD1 4.07Å; H183-I193 HydrophobicContact CB-CG2 4.37Å; K189-I193 HydrophobicContact CB-CD1 3.81Å; K189-I193 HydrophobicContact CB-CG1 4.16Å; K189-I193 WeakPolarHBondContact O-CB 3.48Å; K189-I193 WeakPolarHBondContact O-CG1 3.47Å; K189-I193 PolarHBondContact O-N 3.02Å; T190-I193 PolarHBondContact O-N 3.46Å; I193-T196 PolarHBondContact O-N 3.46Å; I193-S197 WeakPolarHBondContact O-CB 3.33Å; I193-S197 PolarHBondContact O-N 3.11Å; I193-S197 PolarHBondContact O-OG 3.44Å
194K97.1Very high97.8Very high36 Ų3670.8 Ų70.816%0.15737%0.371CS..Hα-helixtrans-61.1-50.2176.2-172.9176-175172.30111E14 A21 T190 E191 T196 S197 I198E14-K194 PolarHBondContact O-NZ 3.09Å; A21-K194 HydrophobicContact CB-CG 4.44Å; T190-K194 WeakPolarHBondContact O-CB 3.44Å; T190-K194 PolarHBondContact O-N 2.92Å; E191-K194 PolarHBondContact O-N 2.88Å; K194-T196 PolarHBondContact O-N 3.47Å; K194-S197 PolarHBondContact O-N 3.46Å; K194-S197 VanDerWaalsContact O-N 3.17Å; K194-S197 PolarHBondContact O-OG 2.65Å; K194-I198 HydrophobicContact CG-CD1 4.2Å; K194-I198 WeakPolarHBondContact O-CG1 3.47Å; K194-I198 PolarHBondContact O-N 3.17Å
195A98.1Very high97.8Very high47 Ų4765.4 Ų65.439%0.38834%0.343SS..Hα-helixtrans-59.9-44.6178.600000112.2E191 E192 S197 I198 N199E191-A195 VanDerWaalsContact O-CB 3.32Å; E191-A195 WeakPolarHBondContact O-CB 3.4Å; E191-A195 PolarHBondContact O-N 3.43Å; E192-A195 PolarHBondContact O-N 3.25Å; A195-S197 VanDerWaalsContact C-N 3.32Å; A195-S197 PolarHBondContact O-N 3.03Å; A195-I198 PolarHBondContact O-N 3.42Å; A195-N199 PolarHBondContact O-N 2.88Å; A195-N199 PolarHBondContact O-ND2 2.85Å
196T98.3Very high97.8Very high66 Ų6666 Ų6641%0.40534%0.34SS..Hα-helixtrans-60.8-41.3175.7-620000111.7E192 I193 K194 I198 N199 N200E192-T196 WeakPolarHBondContact O-CB 3.27Å; E192-T196 PolarHBondContact O-N 3.43Å; E192-T196 PolarHBondContact O-OG1 3.38Å; I193-T196 PolarHBondContact O-N 3.46Å; K194-T196 PolarHBondContact O-N 3.47Å; T196-I198 PolarHBondContact O-N 3.43Å; T196-N199 PolarHBondContact O-N 3.06Å; T196-N200 WeakPolarHBondContact O-CB 3.5Å; T196-N200 VanDerWaalsContact O-CG 3.27Å; T196-N200 PolarHBondContact O-N 2.93Å; T196-N200 PolarHBondContact O-ND2 3.49Å
197S98Very high97.7Very high3 Ų368.6 Ų68.62%0.02136%0.359CS..Hα-helixtrans-64.5-38.8177.971.80000113.4I193 K194 A195 N200 A201I193-S197 WeakPolarHBondContact O-CB 3.33Å; I193-S197 PolarHBondContact O-N 3.11Å; I193-S197 PolarHBondContact O-OG 3.44Å; K194-S197 PolarHBondContact O-N 3.46Å; K194-S197 VanDerWaalsContact O-N 3.17Å; K194-S197 PolarHBondContact O-OG 2.65Å; A195-S197 VanDerWaalsContact C-N 3.32Å; A195-S197 PolarHBondContact O-N 3.03Å; S197-N200 PolarHBondContact O-N 3.3Å; S197-A201 VanDerWaalsContact O-CB 3.29Å; S197-A201 WeakPolarHBondContact O-CB 3.5Å; S197-A201 PolarHBondContact O-N 3.49Å
198I98.7Very high97.7Very high43 Ų4364.8 Ų64.822%0.22133%0.334CS..Hα-helixtrans-63.5-51174.7-71.7167.1000109.6A21 A25 K194 A195 T196 N200 A201 E202A21-I198 HydrophobicContact CB-CD1 4.36Å; A25-I198 HydrophobicContact CB-CB 4.39Å; A25-I198 HydrophobicContact CB-CG1 4.35Å; A25-I198 HydrophobicContact CB-CG2 3.78Å; K194-I198 HydrophobicContact CG-CD1 4.2Å; K194-I198 WeakPolarHBondContact O-CG1 3.47Å; K194-I198 PolarHBondContact O-N 3.17Å; A195-I198 PolarHBondContact O-N 3.42Å; T196-I198 PolarHBondContact O-N 3.43Å; I198-N200 VanDerWaalsContact C-N 3.3Å; I198-N200 PolarHBondContact O-N 2.88Å; I198-A201 WeakPolarHBondContact O-CA 3.34Å; I198-A201 WeakPolarHBondContact O-CB 3.12Å; I198-A201 PolarHBondContact O-N 3Å; I198-E202 HydrophobicContact CG2-CG 4.3Å; I198-E202 WeakPolarHBondContact O-CG 3.26Å; I198-E202 PolarHBondContact O-N 3.38Å
199N98.6Very high97.7Very high96 Ų9660.5 Ų60.551%0.51332%0.316SS..Hα-helixtrans-58.2-41.4178.7-70.8-31.7000112.6A195 T196 K203A195-N199 PolarHBondContact O-N 2.88Å; A195-N199 PolarHBondContact O-ND2 2.85Å; T196-N199 PolarHBondContact O-N 3.06Å; N199-K203 VanDerWaalsContact O-CB 3.29Å; N199-K203 WeakPolarHBondContact O-CB 3.45Å; N199-K203 PolarHBondContact O-N 3.28Å
200N98.5Very high97.8Very high81 Ų8160.3 Ų60.343%0.43332%0.317SS..Hα-helixtrans-65.5-39.7176.9-73-17.1000111.8T196 S197 I198 L204T196-N200 WeakPolarHBondContact O-CB 3.5Å; T196-N200 VanDerWaalsContact O-CG 3.27Å; T196-N200 PolarHBondContact O-N 2.93Å; T196-N200 PolarHBondContact O-ND2 3.49Å; S197-N200 PolarHBondContact O-N 3.3Å; I198-N200 VanDerWaalsContact C-N 3.3Å; I198-N200 PolarHBondContact O-N 2.88Å; N200-L204 WeakPolarHBondContact O-CB 3.39Å; N200-L204 PolarHBondContact O-N 2.99Å
201A98.8Very high97.9Very high0 Ų061.6 Ų61.60%032%0.322CS..Hα-helixtrans-63.9-49.5176.200000112.3A22 F26 I178 S197 I198 K203 L204 A205A22-A201 HydrophobicContact CB-CB 4.25Å; A22-A201 VanDerWaalsContact O-CB 3.28Å; A22-A201 WeakPolarHBondContact O-CB 3.35Å; F26-A201 HydrophobicContact CB-CB 3.99Å; F26-A201 WeakPolarHBondContact CD2-O 3.38Å; I178-A201 HydrophobicContact CD1-CB 3.96Å; S197-A201 VanDerWaalsContact O-CB 3.29Å; S197-A201 WeakPolarHBondContact O-CB 3.5Å; S197-A201 PolarHBondContact O-N 3.49Å; I198-A201 WeakPolarHBondContact O-CA 3.34Å; I198-A201 WeakPolarHBondContact O-CB 3.12Å; I198-A201 PolarHBondContact O-N 3Å; A201-K203 VanDerWaalsContact C-N 3.34Å; A201-K203 PolarHBondContact O-N 2.78Å; A201-L204 PolarHBondContact O-N 3.22Å; A201-A205 WeakPolarHBondContact O-CB 3.29Å; A201-A205 PolarHBondContact O-N 2.69Å
202E98.7Very high98Very high75 Ų7556.8 Ų56.835%0.3530%0.302SS..Hα-helixtrans-60-44.8176.8-65.5176.1164.400111.2A25 T29 I198 L204 A205A25-E202 HydrophobicContact CB-CG 4.06Å; T29-E202 HydrophobicContact CG2-CB 4.38Å; I198-E202 HydrophobicContact CG2-CG 4.3Å; I198-E202 WeakPolarHBondContact O-CG 3.26Å; I198-E202 PolarHBondContact O-N 3.38Å; E202-L204 PolarHBondContact O-N 2.79Å; E202-A205 WeakPolarHBondContact O-CB 3.34Å; E202-A205 PolarHBondContact O-N 3.28Å
203K98.6Very high98Very high159 Ų15952.6 Ų52.669%0.69129%0.285SS*.Hα-helixtrans-60.3-48.4177.2-176.6179.3178.2-176.90111.6N199 A201 A205 T206N199-K203 VanDerWaalsContact O-CB 3.29Å; N199-K203 WeakPolarHBondContact O-CB 3.45Å; N199-K203 PolarHBondContact O-N 3.28Å; A201-K203 VanDerWaalsContact C-N 3.34Å; A201-K203 PolarHBondContact O-N 2.78Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 3.25Å; K203-T206 PolarHBondContact O-N 3.09Å; K203-T206 PolarHBondContact O-OG1 3.07Å
204L98.4Very high98Very high25 Ų2554.5 Ų54.513%0.13130%0.295CS..Hα-helixtrans-64.4-37.1-179-18057.2000111.9F26 L139 E176 I178 N200 A201 E202 T206 T207 F208F26-L204 HydrophobicContact CE2-CB 4.35Å; F26-L204 HydrophobicContact CE2-CD2 4.41Å; F26-L204 HydrophobicContact CE2-CG 4.12Å; L139-L204 HydrophobicContact CD1-CD2 3.63Å; L139-L204 HydrophobicContact CD2-CD2 4.03Å; L139-L204 HydrophobicContact CG-CD2 4.45Å; E176-L204 HydrophobicContact CB-CD2 4.43Å; E176-L204 WeakPolarHBondContact OE2-CD1 3.31Å; I178-L204 HydrophobicContact CD1-CB 4.41Å; I178-L204 HydrophobicContact CD1-CD2 3.91Å; I178-L204 HydrophobicContact CG1-CD2 4.08Å; N200-L204 WeakPolarHBondContact O-CB 3.39Å; N200-L204 PolarHBondContact O-N 2.99Å; A201-L204 PolarHBondContact O-N 3.22Å; E202-L204 PolarHBondContact O-N 2.79Å; L204-T206 PolarHBondContact O-N 2.78Å; L204-T206 VanDerWaalsContact O-N 3.11Å; L204-T207 PolarHBondContact O-N 3.46Å; L204-T207 PolarHBondContact O-OG1 2.96Å; L204-F208 WeakPolarHBondContact O-CB 3.32Å; L204-F208 PolarHBondContact O-N 2.98Å
205A98.5Very high98.1Very high0 Ų055.8 Ų55.80%031%0.305CS..Hα-helixtrans-57.5-26.8178.700000113.4F26 T29 A201 E202 K203 T207F26-A205 HydrophobicContact CD2-CB 3.82Å; F26-A205 HydrophobicContact CE2-CB 3.8Å; F26-A205 HydrophobicContact CG-CB 4.37Å; F26-A205 HydrophobicContact CZ-CB 4.33Å; F26-A205 WeakPolarHBondContact O-CB 3.3Å; T29-A205 HydrophobicContact CG2-CB 3.88Å; A201-A205 WeakPolarHBondContact O-CB 3.29Å; A201-A205 PolarHBondContact O-N 2.69Å; E202-A205 WeakPolarHBondContact O-CB 3.34Å; E202-A205 PolarHBondContact O-N 3.28Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 3.25Å; A205-T207 VanDerWaalsContact C-N 3.26Å; A205-T207 PolarHBondContact O-N 2.9Å
206T96.8Very high98.1Very high71 Ų7156.5 Ų56.544%0.43630%0.299SS..THydrogen-bonded Turntrans-71.1-17.8176.868.90000114.4Q33 K203 L204Q33-T206 HydrophobicContact CG-CG2 4.4Å; K203-T206 PolarHBondContact O-N 3.09Å; K203-T206 PolarHBondContact O-OG1 3.07Å; L204-T206 PolarHBondContact O-N 2.78Å; L204-T206 VanDerWaalsContact O-N 3.11Å
207T96.3Very high98Very high103 Ų10355.7 Ų55.763%0.63229%0.29SS*.THydrogen-bonded Turntrans-125.20.8-176.656.30000113.5L204 A205L204-T207 PolarHBondContact O-N 3.46Å; L204-T207 PolarHBondContact O-OG1 2.96Å; A205-T207 VanDerWaalsContact C-N 3.26Å; A205-T207 PolarHBondContact O-N 2.9Å
208F96.6Very high98Very high12 Ų1260.5 Ų60.55%0.05332%0.315CS..  trans-76.30-172.2-175.9-106.5000112.8F26 Y30 K92 V94 K137 L139 L204F26-F208 HydrophobicContact CE1-CD1 4.18Å; F26-F208 HydrophobicContact CE2-CB 4.12Å; F26-F208 HydrophobicContact CE2-CG 4.25Å; F26-F208 HydrophobicContact CZ-CB 3.76Å; F26-F208 AromaticContact CZ-CD1 3.53Å; F26-F208 HydrophobicContact CZ-CD1 3.53Å; F26-F208 HydrophobicContact CZ-CD2 4.29Å; F26-F208 HydrophobicContact CZ-CE1 4.13Å; F26-F208 AromaticContact CZ-CG 3.6Å; F26-F208 HydrophobicContact CZ-CG 3.6Å; Y30-F208 HydrophobicContact CD2-CB 4.42Å; Y30-F208 HydrophobicContact CD2-CD1 4.18Å; Y30-F208 HydrophobicContact CE2-CB 4.5Å; Y30-F208 AromaticContact CE2-CD1 3.95Å; Y30-F208 HydrophobicContact CE2-CD1 3.95Å; Y30-F208 WeakPolarHBondContact CE2-OXT 3.35Å; K92-F208 HydrophobicContact CB-CE1 3.89Å; K92-F208 HydrophobicContact CB-CZ 4.43Å; K92-F208 HydrophobicContact CD-CD1 3.9Å; K92-F208 HydrophobicContact CD-CE1 3.73Å; K92-F208 HydrophobicContact CG-CE1 4.27Å; K92-F208 PolarHBondContact NZ-O 3.42Å; K92-F208 PolarHBondContact NZ-OXT 3.29Å; V94-F208 HydrophobicContact CG2-CE1 4.12Å; K137-F208 HydrophobicContact CB-CZ 4.49Å; K137-F208 HydrophobicContact CD-CD2 3.98Å; K137-F208 HydrophobicContact CD-CE2 3.69Å; K137-F208 HydrophobicContact CD-CZ 4.12Å; K137-F208 WeakPolarHBondContact CD-O 3.39Å; K137-F208 VanDerWaalsContact CE-CD2 3.46Å; K137-F208 VanDerWaalsContact CE-CE2 3.45Å; K137-F208 HydrophobicContact CG-CD2 4.47Å; K137-F208 HydrophobicContact CG-CE2 3.68Å; K137-F208 HydrophobicContact CG-CZ 3.87Å; K137-F208 PolarHBondContact NZ-O 2.87Å; L139-F208 HydrophobicContact CB-CD2 4.35Å; L139-F208 HydrophobicContact CB-CE2 3.57Å; L139-F208 HydrophobicContact CB-CZ 3.67Å; L204-F208 WeakPolarHBondContact O-CB 3.32Å; L204-F208 PolarHBondContact O-N 2.98Å

Retrieved 208 of 208 residues in 964.7 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).