A0A077Z2N0_TRITR Loading...

Eukaryotic translation initiation factor 6

Binds to the 60S ribosomal subunit and prevents its association with the 40S ribosomal subunit to form the 80S initiation complex in the cytoplasm. May also be involved in ribosome biogenesis.

AlphaFold DB , UniProt , Accession A0A077Z2N0, Species TRITR (Trichuris trichiura, Whipworm), Gene EIF6, Length 245 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M85.8Confident90.2Very high89 Ų8963.9 Ų63.944%0.43831%0.311SS..  0172087.7-178101.900109.5L3 W202 C203 A204M1-L3 HydrophobicContact CE-CD2 4.28Å; M1-L3 HydrophobicContact CG-CD2 4.11Å; M1-L3 HydrophobicContact CG-CG 4.09Å; M1-L3 HydrophobicContact SD-CD2 3.73Å; M1-L3 HydrophobicContact SD-CG 4.34Å; M1-W202 PolarHBondContact N-O 3.27Å; M1-C203 WeakPolarHBondContact O-CA 3.47Å; M1-A204 PolarHBondContact O-N 3.18Å
2A89.1Confident90.5Very high10 Ų1065.3 Ų65.38%0.08332%0.316CS..EExtended strand (participates in β ladder)trans-101.4121.3169.900000112A204 I215 I218 E219 L224A2-A204 CarbonylContact C-O 3.48Å; A2-A204 VanDerWaalsContact CA-O 3.3Å; A2-A204 WeakPolarHBondContact CA-O 3.03Å; A2-A204 HydrophobicContact CB-CB 4.05Å; A2-I215 HydrophobicContact CB-CG2 4.09Å; A2-I218 HydrophobicContact CB-CG2 4.28Å; A2-E219 HydrophobicContact CB-CG 3.65Å; A2-E219 PolarHBondContact N-OE1 3.1Å; A2-L224 HydrophobicContact CB-CD1 4.23Å
3L93.1Very high90.8Very high43 Ų4360.3 Ų60.323%0.22529%0.292CS..EExtended strand (participates in β ladder)trans-102.3142.7178.9-70.7176.5000111.9M1 V5 E41 A204 F205 C206M1-L3 HydrophobicContact CE-CD2 4.28Å; M1-L3 HydrophobicContact CG-CD2 4.11Å; M1-L3 HydrophobicContact CG-CG 4.09Å; M1-L3 HydrophobicContact SD-CD2 3.73Å; M1-L3 HydrophobicContact SD-CG 4.34Å; L3-V5 HydrophobicContact CB-CG2 4.41Å; L3-E41 HydrophobicContact CD1-CG 3.29Å; L3-A204 PolarHBondContact N-O 2.83Å; L3-F205 HydrophobicContact CB-CD1 4.16Å; L3-F205 HydrophobicContact CB-CE1 4.49Å; L3-F205 HydrophobicContact CD1-CD1 4.49Å; L3-F205 HydrophobicContact CD1-CE1 4.02Å; L3-F205 WeakPolarHBondContact O-CA 3.47Å; L3-C206 PolarHBondContact O-N 3.4Å
4R94.3Very high91Very high119 Ų11956.3 Ų56.345%0.44927%0.274SS..EExtended strand (participates in β ladder)trans-86.7127.9171.8-70.4-177179.6107.24.8110.3C206 I208 T210 I215R4-C206 CarbonylContact C-O 3.56Å; R4-C206 WeakPolarHBondContact CA-O 3.34Å; R4-I208 HydrophobicContact CB-CD1 4.11Å; R4-T210 VanDerWaalsContact CZ-O 3.28Å; R4-T210 PolarHBondContact NE-O 3.07Å; R4-T210 PolarHBondContact NH2-O 2.73Å; R4-I215 HydrophobicContact CG-CD1 3.75Å; R4-I215 VanDerWaalsContact NH2-CD1 3.33Å
5V93.6Very high91.3Very high8 Ų853.7 Ų53.75%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-137.4153.6-178.3-167.30000109.9L3 V13 F34 A37 F38 F205 C206 G207 I208L3-V5 HydrophobicContact CB-CG2 4.41Å; V5-V13 HydrophobicContact CB-CG1 4.14Å; V5-V13 VanDerWaalsContact O-CG1 3.23Å; V5-V13 WeakPolarHBondContact O-CG1 3.46Å; V5-F34 HydrophobicContact CG1-CD2 3.4Å; V5-F34 VanDerWaalsContact CG1-CD2 3.4Å; V5-F34 HydrophobicContact CG1-CE2 3.76Å; V5-F34 HydrophobicContact CG1-CG 4.4Å; V5-A37 HydrophobicContact CG1-CB 3.97Å; V5-A37 HydrophobicContact CG2-CB 3.86Å; V5-F38 HydrophobicContact CG1-CE2 4.35Å; V5-F205 HydrophobicContact CG2-CB 4.36Å; V5-F205 HydrophobicContact CG2-CD1 3.75Å; V5-C206 PolarHBondContact N-O 3.32Å; V5-G207 CarbonylContact O-C 3.55Å; V5-G207 WeakPolarHBondContact O-CA 3.48Å; V5-I208 PolarHBondContact O-N 2.83Å
6Q91.9Very high91.5Very high71 Ų7152 Ų5233%0.33225%0.254SS..  trans-127.8132.8174.3-166.3178.7-3.100109.4E8 S10 F34 I208Q6-E8 VanDerWaalsContact CD-O 3.28Å; Q6-E8 WeakPolarHBondContact CG-O 3.4Å; Q6-E8 PolarHBondContact NE2-O 2.92Å; Q6-S10 VanDerWaalsContact CG-O 3.28Å; Q6-S10 WeakPolarHBondContact CG-O 3.17Å; Q6-F34 WeakPolarHBondContact O-CD2 3.43Å; Q6-I208 HydrophobicContact CB-CB 4.02Å; Q6-I208 HydrophobicContact CB-CG2 4.1Å; Q6-I208 HydrophobicContact CG-CB 4.45Å; Q6-I208 HydrophobicContact CG-CG2 3.96Å
7Y87.4Confident91.7Very high4 Ų448.9 Ų48.92%0.01624%0.239CC..BIsolated β-bridgetrans-96.2107.8170.6-176.7-88.2000108.7N9 S10 F16 I28 G29 G30 F34Y7-N9 PolarHBondContact O-N 3.35Å; Y7-N9 VanDerWaalsContact O-N 3.11Å; Y7-S10 PolarHBondContact N-O 3.49Å; Y7-S10 WeakPolarHBondContact O-CA 3.35Å; Y7-S10 WeakPolarHBondContact O-CB 3.3Å; Y7-S10 PolarHBondContact O-N 3.21Å; Y7-F16 HydrophobicContact CD1-CB 4.3Å; Y7-F16 AromaticContact CD1-CD1 3.74Å; Y7-F16 HydrophobicContact CD1-CD1 3.74Å; Y7-F16 AromaticContact CD1-CD2 3.54Å; Y7-F16 HydrophobicContact CD1-CD2 3.54Å; Y7-F16 AromaticContact CD1-CE1 3.89Å; Y7-F16 HydrophobicContact CD1-CE1 3.89Å; Y7-F16 AromaticContact CD1-CE2 3.7Å; Y7-F16 HydrophobicContact CD1-CE2 3.7Å; Y7-F16 AromaticContact CD1-CG 3.57Å; Y7-F16 HydrophobicContact CD1-CG 3.57Å; Y7-F16 AromaticContact CD1-CZ 3.87Å; Y7-F16 HydrophobicContact CD1-CZ 3.87Å; Y7-F16 HydrophobicContact CD2-CB 3.72Å; Y7-F16 HydrophobicContact CD2-CD1 4.5Å; Y7-F16 HydrophobicContact CD2-CD2 4.28Å; Y7-F16 AromaticContact CD2-CG 3.92Å; Y7-F16 HydrophobicContact CD2-CG 3.92Å; Y7-F16 AromaticContact CE1-CD1 3.59Å; Y7-F16 HydrophobicContact CE1-CD1 3.59Å; Y7-F16 HydrophobicContact CE1-CD2 4.27Å; Y7-F16 AromaticContact CE1-CE1 3.75Å; Y7-F16 HydrophobicContact CE1-CE1 3.75Å; Y7-F16 HydrophobicContact CE1-CE2 4.42Å; Y7-F16 AromaticContact CE1-CG 3.87Å; Y7-F16 HydrophobicContact CE1-CG 3.87Å; Y7-F16 HydrophobicContact CE1-CZ 4.17Å; Y7-F16 HydrophobicContact CE2-CB 3.96Å; Y7-F16 HydrophobicContact CE2-CD1 4.34Å; Y7-F16 HydrophobicContact CE2-CG 4.16Å; Y7-F16 HydrophobicContact CG-CB 3.88Å; Y7-F16 HydrophobicContact CG-CD1 4.21Å; Y7-F16 AromaticContact CG-CD2 3.55Å; Y7-F16 HydrophobicContact CG-CD2 3.55Å; Y7-F16 HydrophobicContact CG-CE2 4.14Å; Y7-F16 AromaticContact CG-CG 3.6Å; Y7-F16 HydrophobicContact CG-CG 3.6Å; Y7-F16 AromaticContact CZ-CD1 3.9Å; Y7-I28 PolarHBondContact OH-O 3.33Å; Y7-G29 VanDerWaalsContact OH-C 3.28Å; Y7-G29 PolarHBondContact OH-O 2.8Å; Y7-G30 PolarHBondContact OH-N 3.35Å; Y7-G30 VanDerWaalsContact OH-N 3.12Å; Y7-F34 AromaticContact CD2-CD1 3.56Å; Y7-F34 HydrophobicContact CD2-CD1 3.56Å; Y7-F34 HydrophobicContact CD2-CD2 4.08Å; Y7-F34 AromaticContact CD2-CE1 3.4Å; Y7-F34 HydrophobicContact CD2-CE1 3.4Å; Y7-F34 VanDerWaalsContact CD2-CE1 3.4Å; Y7-F34 HydrophobicContact CD2-CE2 4.04Å; Y7-F34 AromaticContact CD2-CG 3.88Å; Y7-F34 HydrophobicContact CD2-CG 3.88Å; Y7-F34 AromaticContact CD2-CZ 3.72Å; Y7-F34 HydrophobicContact CD2-CZ 3.72Å; Y7-F34 HydrophobicContact CE2-CD1 4.05Å; Y7-F34 AromaticContact CE2-CE1 3.96Å; Y7-F34 HydrophobicContact CE2-CE1 3.96Å; Y7-F34 HydrophobicContact CG-CE2 4.48Å; Y7-F34 HydrophobicContact CG-CZ 4.46Å
8E87.1Confident91.9Very high104 Ų10448.3 Ų48.349%0.48623%0.233SC..THydrogen-bonded Turntrans52.7-117-174-67.2-64.4140.200111Q6 C31Q6-E8 VanDerWaalsContact CD-O 3.28Å; Q6-E8 WeakPolarHBondContact CG-O 3.4Å; Q6-E8 PolarHBondContact NE2-O 2.92Å; E8-C31 WeakPolarHBondContact OE1-CB 3.4Å; E8-C31 PolarHBondContact OE1-N 3.28Å
9N86.7Confident92.2Very high154 Ų15446.5 Ų46.582%0.82423%0.225SC*.THydrogen-bonded Turntrans-101.514.8174.8-16031.1000113.2Y7Y7-N9 PolarHBondContact O-N 3.35Å; Y7-N9 VanDerWaalsContact O-N 3.11Å
10S91.9Very high92.3Very high29 Ų2944.5 Ų44.520%0.20322%0.216CC..BIsolated β-bridgetrans-108.7136-179.3-173.20000112.3Q6 Y7 E12Q6-S10 VanDerWaalsContact CG-O 3.28Å; Q6-S10 WeakPolarHBondContact CG-O 3.17Å; Y7-S10 PolarHBondContact N-O 3.49Å; Y7-S10 WeakPolarHBondContact O-CA 3.35Å; Y7-S10 WeakPolarHBondContact O-CB 3.3Å; Y7-S10 PolarHBondContact O-N 3.21Å; S10-E12 VanDerWaalsContact C-N 3.3Å; S10-E12 WeakPolarHBondContact OG-CB 3.29Å; S10-E12 PolarHBondContact OG-N 3.43Å; S10-E12 VanDerWaalsContact OG-N 3.08Å
11K91.6Very high92.3Very high72 Ų7243.3 Ų43.331%0.31321%0.21SC..SBendtrans-86-2170.264.8-173.1-176.6172.60113.3V13 N187 G207 I208 D209K11-V13 VanDerWaalsContact C-N 3.27Å; K11-V13 PolarHBondContact O-N 2.91Å; K11-V13 VanDerWaalsContact O-N 3.09Å; K11-N187 HydrophobicContact CD-CB 3.84Å; K11-N187 HydrophobicContact CG-CB 4.31Å; K11-N187 PolarHBondContact NZ-O 3.06Å; K11-N187 VanDerWaalsContact NZ-O 3.1Å; K11-N187 PolarHBondContact O-ND2 3.24Å; K11-G207 WeakPolarHBondContact O-CA 3.45Å; K11-I208 HydrophobicContact CB-CG2 4.2Å; K11-D209 HydrophobicContact CD-CB 3.83Å; K11-D209 WeakPolarHBondContact CD-OD2 3.2Å; K11-D209 IonicContact NZ-OD2 3.94Å; K11-D209 PolarHBondContact NZ-OD2 3.48Å
12E93.9Very high92.7Very high81 Ų8139.9 Ų39.938%0.37920%0.195SC..  trans-88.962-176-62.1-177.7159.500111.1S10 G14 V15 F16 A195S10-E12 VanDerWaalsContact C-N 3.3Å; S10-E12 WeakPolarHBondContact OG-CB 3.29Å; S10-E12 PolarHBondContact OG-N 3.43Å; S10-E12 VanDerWaalsContact OG-N 3.08Å; E12-G14 PolarHBondContact O-N 3.39Å; E12-V15 HydrophobicContact CB-CB 4.24Å; E12-V15 HydrophobicContact CB-CG2 3.77Å; E12-V15 WeakPolarHBondContact O-CB 3.37Å; E12-V15 PolarHBondContact O-N 2.79Å; E12-F16 WeakPolarHBondContact O-CD2 3.43Å; E12-A195 CarbonylContact C-O 3.59Å; E12-A195 WeakPolarHBondContact CA-O 3.2Å; E12-A195 HydrophobicContact CB-CB 4.16Å; E12-A195 HydrophobicContact CG-CB 4.16Å
13V93.6Very high93Very high0 Ų039.4 Ų39.40%019%0.191CC..Hα-helixtrans-56.1-35.9-174.5-64.20000113.3V5 K11 V15 F16 A17 F34 A195 G196 F205V5-V13 HydrophobicContact CB-CG1 4.14Å; V5-V13 VanDerWaalsContact O-CG1 3.23Å; V5-V13 WeakPolarHBondContact O-CG1 3.46Å; K11-V13 VanDerWaalsContact C-N 3.27Å; K11-V13 PolarHBondContact O-N 2.91Å; K11-V13 VanDerWaalsContact O-N 3.09Å; V13-V15 VanDerWaalsContact C-N 3.29Å; V13-V15 PolarHBondContact O-N 3.18Å; V13-F16 CarbonylContact O-C 3.43Å; V13-F16 PolarHBondContact O-N 3.12Å; V13-F16 VanDerWaalsContact O-N 3.11Å; V13-A17 PolarHBondContact O-N 3.42Å; V13-F34 HydrophobicContact CB-CE2 4.39Å; V13-F34 HydrophobicContact CG1-CE2 4.16Å; V13-A195 PolarHBondContact N-O 2.99Å; V13-A195 VanDerWaalsContact N-O 3.09Å; V13-G196 WeakPolarHBondContact CG2-O 3.34Å; V13-F205 WeakPolarHBondContact CG2-O 3.18Å
14G94Very high93.1Very high4 Ų437.4 Ų37.44%0.04118%0.181CC..Hα-helixtrans-80.9-6.1-178.600000115E12 F16 G60 S194 A195 C198E12-G14 PolarHBondContact O-N 3.39Å; G14-F16 VanDerWaalsContact C-N 3.33Å; G14-G60 WeakPolarHBondContact O-CA 3.34Å; G14-S194 CarbonylContact C-O 3.49Å; G14-S194 WeakPolarHBondContact CA-O 3.39Å; G14-A195 PolarHBondContact N-O 3.21Å; G14-C198 WeakPolarHBondContact CA-SG 3.39Å
15V95.2Very high93.2Very high17 Ų1731.7 Ų31.710%0.10316%0.159CC..Hα-helixtrans-70.8-35.7162.7173.30000110.3E12 V13 I58 V59 G60 S61 A195E12-V15 HydrophobicContact CB-CB 4.24Å; E12-V15 HydrophobicContact CB-CG2 3.77Å; E12-V15 WeakPolarHBondContact O-CB 3.37Å; E12-V15 PolarHBondContact O-N 2.79Å; V13-V15 VanDerWaalsContact C-N 3.29Å; V13-V15 PolarHBondContact O-N 3.18Å; V15-I58 HydrophobicContact CG1-CB 3.76Å; V15-I58 HydrophobicContact CG1-CG2 3.44Å; V15-I58 VanDerWaalsContact CG1-CG2 3.44Å; V15-I58 CarbonylContact O-C 2.86Å; V15-I58 WeakPolarHBondContact O-CA 3.48Å; V15-V59 PolarHBondContact O-N 3.38Å; V15-G60 WeakPolarHBondContact O-CA 3.49Å; V15-G60 PolarHBondContact O-N 2.97Å; V15-S61 PolarHBondContact O-N 2.79Å; V15-A195 HydrophobicContact CG2-CB 3.72Å
16F95.4Very high93.2Very high27 Ų2731.3 Ų31.312%0.11816%0.157CC..Hα-helixtrans-102.9-3.5-172.6-54.7-76.6000114.3Y7 E12 V13 G14 G27 R57 I58 V59Y7-F16 HydrophobicContact CD1-CB 4.3Å; Y7-F16 AromaticContact CD1-CD1 3.74Å; Y7-F16 HydrophobicContact CD1-CD1 3.74Å; Y7-F16 AromaticContact CD1-CD2 3.54Å; Y7-F16 HydrophobicContact CD1-CD2 3.54Å; Y7-F16 AromaticContact CD1-CE1 3.89Å; Y7-F16 HydrophobicContact CD1-CE1 3.89Å; Y7-F16 AromaticContact CD1-CE2 3.7Å; Y7-F16 HydrophobicContact CD1-CE2 3.7Å; Y7-F16 AromaticContact CD1-CG 3.57Å; Y7-F16 HydrophobicContact CD1-CG 3.57Å; Y7-F16 AromaticContact CD1-CZ 3.87Å; Y7-F16 HydrophobicContact CD1-CZ 3.87Å; Y7-F16 HydrophobicContact CD2-CB 3.72Å; Y7-F16 HydrophobicContact CD2-CD1 4.5Å; Y7-F16 HydrophobicContact CD2-CD2 4.28Å; Y7-F16 AromaticContact CD2-CG 3.92Å; Y7-F16 HydrophobicContact CD2-CG 3.92Å; Y7-F16 AromaticContact CE1-CD1 3.59Å; Y7-F16 HydrophobicContact CE1-CD1 3.59Å; Y7-F16 HydrophobicContact CE1-CD2 4.27Å; Y7-F16 AromaticContact CE1-CE1 3.75Å; Y7-F16 HydrophobicContact CE1-CE1 3.75Å; Y7-F16 HydrophobicContact CE1-CE2 4.42Å; Y7-F16 AromaticContact CE1-CG 3.87Å; Y7-F16 HydrophobicContact CE1-CG 3.87Å; Y7-F16 HydrophobicContact CE1-CZ 4.17Å; Y7-F16 HydrophobicContact CE2-CB 3.96Å; Y7-F16 HydrophobicContact CE2-CD1 4.34Å; Y7-F16 HydrophobicContact CE2-CG 4.16Å; Y7-F16 HydrophobicContact CG-CB 3.88Å; Y7-F16 HydrophobicContact CG-CD1 4.21Å; Y7-F16 AromaticContact CG-CD2 3.55Å; Y7-F16 HydrophobicContact CG-CD2 3.55Å; Y7-F16 HydrophobicContact CG-CE2 4.14Å; Y7-F16 AromaticContact CG-CG 3.6Å; Y7-F16 HydrophobicContact CG-CG 3.6Å; Y7-F16 AromaticContact CZ-CD1 3.9Å; E12-F16 WeakPolarHBondContact O-CD2 3.43Å; V13-F16 CarbonylContact O-C 3.43Å; V13-F16 PolarHBondContact O-N 3.12Å; V13-F16 VanDerWaalsContact O-N 3.11Å; G14-F16 VanDerWaalsContact C-N 3.33Å; F16-G27 PolarHBondContact O-N 3.07Å; F16-R57 HydrophobicContact CD1-CB 4.4Å; F16-I58 HydrophobicContact CD1-CG2 4.36Å; F16-I58 HydrophobicContact CE1-CG2 3.96Å; F16-V59 WeakPolarHBondContact O-CG2 3.12Å
17A95.2Very high93.3Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-139.4144.5177.800000110.7V13 L25 F34 F38 C198V13-A17 PolarHBondContact O-N 3.42Å; A17-L25 CarbonylContact C-O 3.59Å; A17-L25 WeakPolarHBondContact CA-O 3.39Å; A17-F34 HydrophobicContact CB-CZ 4.3Å; A17-F38 HydrophobicContact CB-CE1 3.89Å; A17-F38 HydrophobicContact CB-CE2 4.49Å; A17-F38 HydrophobicContact CB-CZ 3.67Å; A17-C198 PolarHBondContact O-SG 3.45Å
18R95.4Very high93.5Very high38 Ų3831.2 Ų31.214%0.14316%0.158CC..EExtended strand (participates in β ladder)trans-120.5114.3168.4-17961.369.8-179.60.9107.8T20 C24 L25 G60 T63R18-T20 HydrophobicContact CG-CG2 4.48Å; R18-C24 CarbonylContact O-C 3.37Å; R18-C24 WeakPolarHBondContact O-CA 3.4Å; R18-L25 HydrophobicContact CB-CB 4.25Å; R18-L25 PolarHBondContact N-O 2.7Å; R18-L25 PolarHBondContact O-N 2.86Å; R18-G60 PolarHBondContact NH2-O 3.26Å; R18-T63 VanDerWaalsContact CZ-O 3.27Å; R18-T63 PolarHBondContact NE-O 2.87Å; R18-T63 PolarHBondContact NH2-O 3.19Å
19L95.8Very high93.3Very high13 Ų1328.6 Ų28.67%0.06816%0.159CC..EExtended strand (participates in β ladder)trans-100132178.6-176.462000109.6C24 L42 I46 C198 N200 F205L19-C24 HydrophobicContact CD1-CB 3.79Å; L19-L42 HydrophobicContact CD1-CD1 3.63Å; L19-L42 HydrophobicContact CD1-CD2 4.16Å; L19-I46 HydrophobicContact CD1-CD1 3.89Å; L19-C198 HydrophobicContact CB-CB 3.92Å; L19-N200 HydrophobicContact CD2-CB 3.91Å; L19-N200 HydrophobicContact CG-CB 3.88Å; L19-F205 HydrophobicContact CD2-CD2 3.83Å; L19-F205 HydrophobicContact CD2-CE2 3.89Å
20T95.1Very high93Very high7 Ų722 Ų224%0.04313%0.127CC..  trans-129.7177172.776.80000109.7R18 S22 Y23 I46 G65R18-T20 HydrophobicContact CG-CG2 4.48Å; T20-S22 PolarHBondContact O-N 3.34Å; T20-S22 PolarHBondContact OG1-N 3.48Å; T20-Y23 WeakPolarHBondContact CB-O 3.16Å; T20-Y23 HydrophobicContact CG2-CE1 4.17Å; T20-Y23 HydrophobicContact CG2-CE2 3.98Å; T20-Y23 PolarHBondContact N-O 3.27Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.29Å; T20-Y23 PolarHBondContact OG1-N 3.31Å; T20-Y23 PolarHBondContact OG1-O 2.96Å; T20-I46 VanDerWaalsContact O-CD1 3.3Å; T20-I46 WeakPolarHBondContact O-CD1 3.41Å; T20-G65 WeakPolarHBondContact CG2-O 3.43Å
21N93.2Very high92.7Very high19 Ų1922.6 Ų22.610%0.10213%0.131CC..SBendtrans-77-2.4174.4-74-25000114.2R67 D112 N156 N200 D201 W202N21-R67 HydrophobicContact CB-CB 4.35Å; N21-D112 PolarHBondContact ND2-OD2 2.8Å; N21-N156 PolarHBondContact ND2-ND2 3.1Å; N21-N200 WeakPolarHBondContact OD1-CB 3.4Å; N21-D201 VanDerWaalsContact ND2-CG 3.29Å; N21-D201 PolarHBondContact ND2-OD2 3.38Å; N21-D201 PolarHBondContact OD1-N 3.01Å; N21-D201 VanDerWaalsContact OD1-N 3.12Å; N21-W202 HydrophobicContact CB-CH2 4.39Å; N21-W202 HydrophobicContact CB-CZ3 4.03Å; N21-W202 WeakPolarHBondContact O-CH2 3.36Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.47Å
22S92.6Very high92.4Very high18 Ų1822.4 Ų22.413%0.12614%0.143CC..SBendtrans-132.8-16.5-178-64.60000115.5T20 P47 R67T20-S22 PolarHBondContact O-N 3.34Å; T20-S22 PolarHBondContact OG1-N 3.48Å; S22-P47 WeakPolarHBondContact O-CD 3.41Å; S22-R67 WeakPolarHBondContact OG-CD 3.3Å; S22-R67 WeakPolarHBondContact OG-CG 3.13Å
23Y95.2Very high92.1Very high0 Ų024.9 Ų24.90%016%0.158CC..  trans-159.3158174.360.4-85.1000109.4T20 L25 G65 N66 G69 L70 I88 V92T20-Y23 WeakPolarHBondContact CB-O 3.16Å; T20-Y23 HydrophobicContact CG2-CE1 4.17Å; T20-Y23 HydrophobicContact CG2-CE2 3.98Å; T20-Y23 PolarHBondContact N-O 3.27Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.29Å; T20-Y23 PolarHBondContact OG1-N 3.31Å; T20-Y23 PolarHBondContact OG1-O 2.96Å; Y23-L25 HydrophobicContact CD2-CD2 3.71Å; Y23-L25 HydrophobicContact CD2-CG 3.9Å; Y23-L25 HydrophobicContact CE2-CD1 4.18Å; Y23-L25 HydrophobicContact CE2-CD2 3.98Å; Y23-L25 HydrophobicContact CE2-CG 3.83Å; Y23-G65 WeakPolarHBondContact OH-CA 3.36Å; Y23-N66 WeakPolarHBondContact CE1-O 3.3Å; Y23-G69 PolarHBondContact OH-O 3.5Å; Y23-G69 VanDerWaalsContact OH-O 3.08Å; Y23-L70 HydrophobicContact CE2-CD1 4.13Å; Y23-L70 HydrophobicContact CE2-CD2 4.43Å; Y23-L70 VanDerWaalsContact OH-CB 3.3Å; Y23-L70 WeakPolarHBondContact OH-CB 3.12Å; Y23-L70 WeakPolarHBondContact OH-CD1 3.46Å; Y23-I88 HydrophobicContact CD1-CG2 3.78Å; Y23-I88 HydrophobicContact CD2-CD1 4.1Å; Y23-I88 HydrophobicContact CD2-CG1 4.31Å; Y23-I88 HydrophobicContact CE1-CG2 4.23Å; Y23-I88 HydrophobicContact CE2-CD1 4.2Å; Y23-I88 HydrophobicContact CG-CD1 4.48Å; Y23-I88 HydrophobicContact CG-CG1 4.34Å; Y23-I88 HydrophobicContact CG-CG2 3.98Å; Y23-V92 HydrophobicContact CD1-CG1 4.24Å; Y23-V92 HydrophobicContact CD1-CG2 3.97Å; Y23-V92 HydrophobicContact CE1-CB 4.42Å; Y23-V92 HydrophobicContact CE1-CG1 3.57Å; Y23-V92 HydrophobicContact CE1-CG2 4.02Å
24C95.9Very high91.9Very high0 Ų024.9 Ų24.90%016%0.159CC..EExtended strand (participates in β ladder)trans-121.1127.5170.2-176.90000109R18 L19 F38 L42 I46 P47 V48 V49R18-C24 CarbonylContact O-C 3.37Å; R18-C24 WeakPolarHBondContact O-CA 3.4Å; L19-C24 HydrophobicContact CD1-CB 3.79Å; C24-F38 VanDerWaalsContact SG-CD1 3.57Å; C24-L42 HydrophobicContact CB-CD1 3.73Å; C24-I46 HydrophobicContact CB-CD1 4.31Å; C24-P47 PolarHBondContact N-O 3.42Å; C24-V48 HydrophobicContact CB-CG2 4.41Å; C24-V48 CarbonylContact O-C 3.48Å; C24-V49 PolarHBondContact O-N 2.96Å
25L96.1Very high91.8Very high0 Ų026.2 Ų26.20%016%0.163CC..EExtended strand (participates in β ladder)trans-95.1136.2170.2-52.8-176.7000109.2A17 R18 Y23 V49 T51 V59 T63 L70 L84 I88A17-L25 CarbonylContact C-O 3.59Å; A17-L25 WeakPolarHBondContact CA-O 3.39Å; R18-L25 HydrophobicContact CB-CB 4.25Å; R18-L25 PolarHBondContact N-O 2.7Å; R18-L25 PolarHBondContact O-N 2.86Å; Y23-L25 HydrophobicContact CD2-CD2 3.71Å; Y23-L25 HydrophobicContact CD2-CG 3.9Å; Y23-L25 HydrophobicContact CE2-CD1 4.18Å; Y23-L25 HydrophobicContact CE2-CD2 3.98Å; Y23-L25 HydrophobicContact CE2-CG 3.83Å; L25-V49 WeakPolarHBondContact CA-O 3.22Å; L25-V49 HydrophobicContact CD2-CB 3.93Å; L25-V49 HydrophobicContact CD2-CG1 4.37Å; L25-V49 HydrophobicContact CD2-CG2 4.47Å; L25-T51 HydrophobicContact CB-CG2 4.39Å; L25-V59 HydrophobicContact CB-CG2 4.36Å; L25-T63 HydrophobicContact CD1-CG2 4.47Å; L25-L70 HydrophobicContact CD1-CD1 3.7Å; L25-L70 HydrophobicContact CD1-CD2 3.77Å; L25-L70 HydrophobicContact CD1-CG 4.41Å; L25-L84 HydrophobicContact CD1-CD2 4.41Å; L25-L84 HydrophobicContact CD2-CD2 3.89Å; L25-I88 HydrophobicContact CD2-CD1 3.91Å; L25-I88 HydrophobicContact CD2-CG1 4.39Å
26V95Very high91.6Very high0 Ų028.7 Ų28.70%018%0.181CC..EExtended strand (participates in β ladder)trans-132.1132.8179.7-167.10000109.3F34 Y35 V48 V49 H50 T51V26-F34 HydrophobicContact CG1-CD1 3.79Å; V26-F34 HydrophobicContact CG1-CE1 3.23Å; V26-F34 HydrophobicContact CG1-CZ 4.26Å; V26-Y35 HydrophobicContact CG1-CD1 3.79Å; V26-Y35 HydrophobicContact CG1-CE1 3.69Å; V26-V48 HydrophobicContact CB-CG1 4.46Å; V26-V48 HydrophobicContact CG2-CG1 3.47Å; V26-V48 VanDerWaalsContact CG2-CG1 3.47Å; V26-V49 PolarHBondContact N-O 3.46Å; V26-H50 CarbonylContact O-C 3.32Å; V26-H50 WeakPolarHBondContact O-CA 3.34Å; V26-T51 PolarHBondContact O-N 3.36Å
27G93.4Very high91.4Very high0 Ų028.7 Ų28.70%019%0.186CC..EExtended strand (participates in β ladder)trans-64.4133.3179.600000111.6F16 Y35 T51 R57F16-G27 PolarHBondContact O-N 3.07Å; G27-Y35 PolarHBondContact O-OH 3.45Å; G27-T51 WeakPolarHBondContact CA-O 3.2Å; G27-R57 WeakPolarHBondContact CA-O 3.44Å
28I90.6Very high91.2Very high73 Ų7328.7 Ų28.737%0.37419%0.186SC..THydrogen-bonded Turntrans-64.2155.8173.757.7169.2000112.4Y7 H50 T51 R57Y7-I28 PolarHBondContact OH-O 3.33Å; I28-H50 HydrophobicContact CG2-CB 4.36Å; I28-T51 PolarHBondContact N-O 3.47Å; I28-R57 HydrophobicContact CG1-CG 4.43Å; I28-R57 WeakPolarHBondContact O-CD 3.37Å; I28-R57 WeakPolarHBondContact O-CG 3.3Å
29G83Confident91Very high49 Ų4930 Ų3051%0.50519%0.193SC..THydrogen-bonded Turntrans78.220.1175.500000114.8Y7 Y35Y7-G29 VanDerWaalsContact OH-C 3.28Å; Y7-G29 PolarHBondContact OH-O 2.8Å; G29-Y35 PolarHBondContact N-OH 3.4Å
30G80.5Confident90.7Very high14 Ų1432.4 Ų32.414%0.14422%0.221CC..  trans-83.7171.9161.900000112.8Y7 Y35Y7-G30 PolarHBondContact OH-N 3.35Å; Y7-G30 VanDerWaalsContact OH-N 3.12Å; G30-Y35 PolarHBondContact N-OH 2.96Å; G30-Y35 WeakPolarHBondContact O-CE2 3.32Å; G30-Y35 PolarHBondContact O-OH 3.09Å
31C85.8Confident90.3Very high42 Ų4235.3 Ų35.328%0.28424%0.235SC..  trans-81.1156.3179680000112.2E8 N33 F34 Y35E8-C31 WeakPolarHBondContact OE1-CB 3.4Å; E8-C31 PolarHBondContact OE1-N 3.28Å; C31-N33 PolarHBondContact O-N 2.83Å; C31-N33 VanDerWaalsContact O-N 3.16Å; C31-F34 WeakPolarHBondContact O-CB 3.38Å; C31-F34 PolarHBondContact O-N 2.87Å; C31-Y35 WeakPolarHBondContact O-CD2 3.35Å; C31-Y35 PolarHBondContact O-N 2.95Å
32A86.6Confident90.2Very high69 Ų6934.4 Ų34.457%0.5723%0.23SC*.Hα-helixtrans-55.1-37179.700000112.7F34 Y35 S36A32-F34 VanDerWaalsContact C-N 3.27Å; A32-F34 PolarHBondContact O-N 3.36Å; A32-Y35 PolarHBondContact O-N 3.01Å; A32-S36 WeakPolarHBondContact O-CB 3.29Å; A32-S36 PolarHBondContact O-N 2.66Å; A32-S36 PolarHBondContact O-OG 2.79Å
33N87.7Confident89.7Confident132 Ų13241.9 Ų41.971%0.70626%0.257SS*.Hα-helixtrans-61.3-35.6178.7-65.9-11.9000112.8C31 A37C31-N33 PolarHBondContact O-N 2.83Å; C31-N33 VanDerWaalsContact O-N 3.16Å; N33-A37 PolarHBondContact O-N 3.36Å
34F89Confident89Confident1 Ų149.5 Ų49.50%0.00430%0.297CS..Hα-helixtrans-65.2-50.7177.1-178-108.4000110.4V5 Q6 Y7 V13 A17 V26 C31 A32 A37 F38V5-F34 HydrophobicContact CG1-CD2 3.4Å; V5-F34 VanDerWaalsContact CG1-CD2 3.4Å; V5-F34 HydrophobicContact CG1-CE2 3.76Å; V5-F34 HydrophobicContact CG1-CG 4.4Å; Q6-F34 WeakPolarHBondContact O-CD2 3.43Å; Y7-F34 AromaticContact CD2-CD1 3.56Å; Y7-F34 HydrophobicContact CD2-CD1 3.56Å; Y7-F34 HydrophobicContact CD2-CD2 4.08Å; Y7-F34 AromaticContact CD2-CE1 3.4Å; Y7-F34 HydrophobicContact CD2-CE1 3.4Å; Y7-F34 VanDerWaalsContact CD2-CE1 3.4Å; Y7-F34 HydrophobicContact CD2-CE2 4.04Å; Y7-F34 AromaticContact CD2-CG 3.88Å; Y7-F34 HydrophobicContact CD2-CG 3.88Å; Y7-F34 AromaticContact CD2-CZ 3.72Å; Y7-F34 HydrophobicContact CD2-CZ 3.72Å; Y7-F34 HydrophobicContact CE2-CD1 4.05Å; Y7-F34 AromaticContact CE2-CE1 3.96Å; Y7-F34 HydrophobicContact CE2-CE1 3.96Å; Y7-F34 HydrophobicContact CG-CE2 4.48Å; Y7-F34 HydrophobicContact CG-CZ 4.46Å; V13-F34 HydrophobicContact CB-CE2 4.39Å; V13-F34 HydrophobicContact CG1-CE2 4.16Å; A17-F34 HydrophobicContact CB-CZ 4.3Å; V26-F34 HydrophobicContact CG1-CD1 3.79Å; V26-F34 HydrophobicContact CG1-CE1 3.23Å; V26-F34 HydrophobicContact CG1-CZ 4.26Å; C31-F34 WeakPolarHBondContact O-CB 3.38Å; C31-F34 PolarHBondContact O-N 2.87Å; A32-F34 VanDerWaalsContact C-N 3.27Å; A32-F34 PolarHBondContact O-N 3.36Å; F34-A37 WeakPolarHBondContact O-CB 3.31Å; F34-A37 PolarHBondContact O-N 2.8Å; F34-F38 HydrophobicContact CD2-CE2 4.21Å; F34-F38 HydrophobicContact CE1-CD2 4.4Å; F34-F38 HydrophobicContact CE1-CE2 4.1Å; F34-F38 HydrophobicContact CE2-CD2 4.31Å; F34-F38 AromaticContact CE2-CE2 3.53Å; F34-F38 HydrophobicContact CE2-CE2 3.53Å; F34-F38 HydrophobicContact CE2-CZ 4.38Å; F34-F38 HydrophobicContact CZ-CD2 4.19Å; F34-F38 AromaticContact CZ-CE2 3.47Å; F34-F38 HydrophobicContact CZ-CE2 3.47Å; F34-F38 VanDerWaalsContact CZ-CE2 3.47Å; F34-F38 HydrophobicContact CZ-CZ 4.1Å; F34-F38 WeakPolarHBondContact O-CD2 3.46Å; F34-F38 PolarHBondContact O-N 3.44Å
35Y91.6Very high88.7Confident32 Ų3251.9 Ų51.913%0.12531%0.309CS..Hα-helixtrans-63.9-44.4180-55-49.8000112.2V26 G27 G29 G30 C31 A32 A37 F38 E39 H50V26-Y35 HydrophobicContact CG1-CD1 3.79Å; V26-Y35 HydrophobicContact CG1-CE1 3.69Å; G27-Y35 PolarHBondContact O-OH 3.45Å; G29-Y35 PolarHBondContact N-OH 3.4Å; G30-Y35 PolarHBondContact N-OH 2.96Å; G30-Y35 WeakPolarHBondContact O-CE2 3.32Å; G30-Y35 PolarHBondContact O-OH 3.09Å; C31-Y35 WeakPolarHBondContact O-CD2 3.35Å; C31-Y35 PolarHBondContact O-N 2.95Å; A32-Y35 PolarHBondContact O-N 3.01Å; Y35-A37 PolarHBondContact O-N 3.02Å; Y35-F38 PolarHBondContact O-N 3.43Å; Y35-F38 VanDerWaalsContact O-N 3.09Å; Y35-E39 WeakPolarHBondContact O-CB 3.46Å; Y35-E39 WeakPolarHBondContact O-CG 3.05Å; Y35-E39 PolarHBondContact O-N 3.04Å; Y35-H50 AromaticContact CD1-CE1 3.22Å; Y35-H50 WeakPolarHBondContact CD1-CE1 3.41Å; Y35-H50 AromaticContact CD1-ND1 3.51Å; Y35-H50 AromaticContact CD2-CE1 3.74Å; Y35-H50 AromaticContact CE1-CE1 3.59Å; Y35-H50 AromaticContact CE1-ND1 3.34Å; Y35-H50 VanDerWaalsContact CE1-ND1 3.34Å; Y35-H50 WeakPolarHBondContact CE1-ND1 3.38Å; Y35-H50 AromaticContact CE2-ND1 3.99Å; Y35-H50 AromaticContact CG-CE1 3.3Å; Y35-H50 AromaticContact CG-ND1 3.91Å; Y35-H50 AromaticContact CZ-CE1 3.97Å; Y35-H50 AromaticContact CZ-ND1 3.58Å
36S91.4Very high88.5Confident69 Ų6952.2 Ų52.248%0.48331%0.311SS..Hα-helixtrans-58.9-31.7177.4-61.60000112.8A32 G40A32-S36 WeakPolarHBondContact O-CB 3.29Å; A32-S36 PolarHBondContact O-N 2.66Å; A32-S36 PolarHBondContact O-OG 2.79Å; S36-G40 WeakPolarHBondContact O-CA 3.44Å; S36-G40 PolarHBondContact O-N 3.05Å
37A90.7Very high88.5Confident27 Ų2754.6 Ų54.622%0.22333%0.326CS..Hα-helixtrans-68.2-42.1176.700000112V5 N33 F34 Y35 F205V5-A37 HydrophobicContact CG1-CB 3.97Å; V5-A37 HydrophobicContact CG2-CB 3.86Å; N33-A37 PolarHBondContact O-N 3.36Å; F34-A37 WeakPolarHBondContact O-CB 3.31Å; F34-A37 PolarHBondContact O-N 2.8Å; Y35-A37 PolarHBondContact O-N 3.02Å; A37-F205 WeakPolarHBondContact O-CE1 3.47Å
38F91.1Very high88.5Confident0 Ų055.6 Ų55.60%033%0.333CS..Hα-helixtrans-71.8-49.8176.3-80.6-98.2000111.3V5 A17 C24 F34 Y35 G40 E41 L42 V48 F205V5-F38 HydrophobicContact CG1-CE2 4.35Å; A17-F38 HydrophobicContact CB-CE1 3.89Å; A17-F38 HydrophobicContact CB-CE2 4.49Å; A17-F38 HydrophobicContact CB-CZ 3.67Å; C24-F38 VanDerWaalsContact SG-CD1 3.57Å; F34-F38 HydrophobicContact CD2-CE2 4.21Å; F34-F38 HydrophobicContact CE1-CD2 4.4Å; F34-F38 HydrophobicContact CE1-CE2 4.1Å; F34-F38 HydrophobicContact CE2-CD2 4.31Å; F34-F38 AromaticContact CE2-CE2 3.53Å; F34-F38 HydrophobicContact CE2-CE2 3.53Å; F34-F38 HydrophobicContact CE2-CZ 4.38Å; F34-F38 HydrophobicContact CZ-CD2 4.19Å; F34-F38 AromaticContact CZ-CE2 3.47Å; F34-F38 HydrophobicContact CZ-CE2 3.47Å; F34-F38 VanDerWaalsContact CZ-CE2 3.47Å; F34-F38 HydrophobicContact CZ-CZ 4.1Å; F34-F38 WeakPolarHBondContact O-CD2 3.46Å; F34-F38 PolarHBondContact O-N 3.44Å; Y35-F38 PolarHBondContact O-N 3.43Å; Y35-F38 VanDerWaalsContact O-N 3.09Å; F38-G40 VanDerWaalsContact C-N 3.3Å; F38-G40 PolarHBondContact O-N 3.03Å; F38-E41 PolarHBondContact O-N 2.86Å; F38-L42 HydrophobicContact CB-CD1 4.35Å; F38-L42 HydrophobicContact CD1-CD1 3.96Å; F38-L42 WeakPolarHBondContact O-CB 3.19Å; F38-L42 VanDerWaalsContact O-CG 3.24Å; F38-L42 WeakPolarHBondContact O-CG 3.42Å; F38-L42 PolarHBondContact O-N 2.98Å; F38-V48 HydrophobicContact CB-CG1 4.3Å; F38-F205 HydrophobicContact CB-CZ 4.48Å; F38-F205 HydrophobicContact CD1-CD1 4.43Å; F38-F205 AromaticContact CD1-CD2 3.75Å; F38-F205 HydrophobicContact CD1-CD2 3.75Å; F38-F205 HydrophobicContact CD1-CE1 4.29Å; F38-F205 AromaticContact CD1-CE2 3.6Å; F38-F205 HydrophobicContact CD1-CE2 3.6Å; F38-F205 HydrophobicContact CD1-CG 4.16Å; F38-F205 AromaticContact CD1-CZ 3.87Å; F38-F205 HydrophobicContact CD1-CZ 3.87Å; F38-F205 HydrophobicContact CD2-CD1 4.41Å; F38-F205 HydrophobicContact CD2-CE1 4.5Å; F38-F205 HydrophobicContact CE1-CB 4.13Å; F38-F205 HydrophobicContact CE1-CD1 4.3Å; F38-F205 AromaticContact CE1-CD2 3.33Å; F38-F205 HydrophobicContact CE1-CD2 3.33Å; F38-F205 AromaticContact CE1-CE2 3.71Å; F38-F205 HydrophobicContact CE1-CE2 3.71Å; F38-F205 AromaticContact CE1-CG 3.65Å; F38-F205 HydrophobicContact CE1-CG 3.65Å; F38-F205 HydrophobicContact CE1-CZ 4.31Å; F38-F205 HydrophobicContact CE2-CB 4.33Å; F38-F205 HydrophobicContact CE2-CD1 4.25Å; F38-F205 HydrophobicContact CE2-CG 4.14Å; F38-F205 HydrophobicContact CG-CE1 4.26Å; F38-F205 HydrophobicContact CG-CE2 4.34Å; F38-F205 HydrophobicContact CG-CZ 4.17Å; F38-F205 HydrophobicContact CZ-CB 3.73Å; F38-F205 HydrophobicContact CZ-CD1 4.2Å; F38-F205 AromaticContact CZ-CD2 3.83Å; F38-F205 HydrophobicContact CZ-CD2 3.83Å; F38-F205 AromaticContact CZ-CG 3.64Å; F38-F205 HydrophobicContact CZ-CG 3.64Å
39E91.1Very high88.7Confident64 Ų6452.4 Ų52.430%0.29932%0.316SS..Hα-helixtrans-61.2-39.9-179.9-69.6173.5178.900111.1Y35 E41 L42 Y43 V48 H50Y35-E39 WeakPolarHBondContact O-CB 3.46Å; Y35-E39 WeakPolarHBondContact O-CG 3.05Å; Y35-E39 PolarHBondContact O-N 3.04Å; E39-E41 PolarHBondContact O-N 3.15Å; E39-L42 PolarHBondContact O-N 2.88Å; E39-Y43 WeakPolarHBondContact O-CB 3.45Å; E39-Y43 PolarHBondContact O-N 2.89Å; E39-V48 HydrophobicContact CG-CB 4.07Å; E39-V48 HydrophobicContact CG-CG1 4.17Å; E39-V48 HydrophobicContact CG-CG2 4.15Å; E39-H50 IonicContact OE1-CE1 3.19Å; E39-H50 IonicContact OE1-NE2 2.93Å; E39-H50 PolarHBondContact OE1-NE2 3.46Å
40G89.5Confident89.2Confident64 Ų6452.8 Ų52.866%0.6631%0.305SS*.Hα-helixtrans-58.5-30.8179.300000114.8S36 F38S36-G40 WeakPolarHBondContact O-CA 3.44Å; S36-G40 PolarHBondContact O-N 3.05Å; F38-G40 VanDerWaalsContact C-N 3.3Å; F38-G40 PolarHBondContact O-N 3.03Å
41E87.1Confident89.9Confident69 Ų6952.3 Ų52.332%0.32230%0.299SS..Hα-helixtrans-100-24178.4-64.2-65.4135.400113.8L3 F38 E39 F205L3-E41 HydrophobicContact CD1-CG 3.29Å; F38-E41 PolarHBondContact O-N 2.86Å; E39-E41 PolarHBondContact O-N 3.15Å; E41-F205 HydrophobicContact CB-CZ 4.06Å; E41-F205 HydrophobicContact CG-CE1 4.33Å; E41-F205 HydrophobicContact CG-CZ 4.34Å
42L89.7Confident90.3Very high0 Ų051.2 Ų51.20%029%0.292CS..Hα-helixtrans-108.7-25.2-167.8-61.8178.5000114.3L19 C24 F38 E39 D44 I45 I46 V48 W202 C203 F205L19-L42 HydrophobicContact CD1-CD1 3.63Å; L19-L42 HydrophobicContact CD1-CD2 4.16Å; C24-L42 HydrophobicContact CB-CD1 3.73Å; F38-L42 HydrophobicContact CB-CD1 4.35Å; F38-L42 HydrophobicContact CD1-CD1 3.96Å; F38-L42 WeakPolarHBondContact O-CB 3.19Å; F38-L42 VanDerWaalsContact O-CG 3.24Å; F38-L42 WeakPolarHBondContact O-CG 3.42Å; F38-L42 PolarHBondContact O-N 2.98Å; E39-L42 PolarHBondContact O-N 2.88Å; L42-D44 PolarHBondContact O-N 2.87Å; L42-I45 PolarHBondContact O-N 2.93Å; L42-I46 HydrophobicContact CB-CG1 3.95Å; L42-I46 HydrophobicContact CD1-CD1 4.24Å; L42-I46 HydrophobicContact CD1-CG1 4.42Å; L42-I46 HydrophobicContact CD2-CD1 3.9Å; L42-I46 HydrophobicContact CD2-CG1 4.01Å; L42-I46 HydrophobicContact CG-CD1 4.48Å; L42-I46 HydrophobicContact CG-CG1 4.35Å; L42-I46 PolarHBondContact O-N 3.02Å; L42-V48 HydrophobicContact CB-CG2 3.8Å; L42-V48 HydrophobicContact CD1-CG2 4.03Å; L42-W202 HydrophobicContact CD2-CZ2 4.38Å; L42-C203 VanDerWaalsContact CD2-SG 3.58Å; L42-F205 HydrophobicContact CD1-CE2 3.96Å; L42-F205 HydrophobicContact CD1-CZ 4.17Å; L42-F205 HydrophobicContact CD2-CE2 4.45Å; L42-F205 HydrophobicContact CG-CE2 4.26Å; L42-F205 HydrophobicContact CG-CZ 4.15Å
43Y82Confident90.7Very high175 Ų17547.9 Ų47.969%0.68627%0.265SS*.THydrogen-bonded Turntrans-55.2-35.3-164.3-174.6-96.1000114.3E39E39-Y43 WeakPolarHBondContact O-CB 3.45Å; E39-Y43 PolarHBondContact O-N 2.89Å
44D82Confident91Very high159 Ų15942.8 Ų42.885%0.8524%0.241SC*.THydrogen-bonded Turntrans-82.7-11.2-179.3-66.9-28.2000114.1L42L42-D44 PolarHBondContact O-N 2.87Å
45I88Confident91.1Very high50 Ų5048.9 Ų48.926%0.25627%0.274SS..THydrogen-bonded Turntrans-115.1-49.5-171.5-49.2175.1000111.1L42 W202 L236L42-I45 PolarHBondContact O-N 2.93Å; I45-W202 HydrophobicContact CB-CZ2 4.31Å; I45-W202 HydrophobicContact CG2-CH2 4.11Å; I45-W202 HydrophobicContact CG2-CZ2 3.69Å; I45-L236 HydrophobicContact CG2-CD1 3.98Å
46I92.9Very high91.2Very high7 Ų749.9 Ų49.94%0.03629%0.285CS..SBendtrans-139.3146.3-177.563.4175.8000111.6L19 T20 C24 L42 W202L19-I46 HydrophobicContact CD1-CD1 3.89Å; T20-I46 VanDerWaalsContact O-CD1 3.3Å; T20-I46 WeakPolarHBondContact O-CD1 3.41Å; C24-I46 HydrophobicContact CB-CD1 4.31Å; L42-I46 HydrophobicContact CB-CG1 3.95Å; L42-I46 HydrophobicContact CD1-CD1 4.24Å; L42-I46 HydrophobicContact CD1-CG1 4.42Å; L42-I46 HydrophobicContact CD2-CD1 3.9Å; L42-I46 HydrophobicContact CD2-CG1 4.01Å; L42-I46 HydrophobicContact CG-CD1 4.48Å; L42-I46 HydrophobicContact CG-CG1 4.35Å; L42-I46 PolarHBondContact O-N 3.02Å; I46-W202 HydrophobicContact CD1-CH2 4.31Å; I46-W202 HydrophobicContact CD1-CZ2 3.94Å; I46-W202 HydrophobicContact CG1-CZ2 4.24Å; I46-W202 HydrophobicContact CG2-CH2 3.87Å; I46-W202 HydrophobicContact CG2-CZ2 3.97Å
47P94Very high91.2Very high50 Ų5053 Ų5333%0.32529%0.286SS..  trans-66.4135.7176.226.4-34.3000111.9S22 C24 V49 P89S22-P47 WeakPolarHBondContact O-CD 3.41Å; C24-P47 PolarHBondContact N-O 3.42Å; P47-V49 HydrophobicContact CB-CG2 4.41Å; P47-P89 HydrophobicContact CG-CG 4.15Å
48V93.9Very high91.3Very high22 Ų2254.8 Ų54.813%0.13329%0.291CS..EExtended strand (participates in β ladder)trans-98.4108.5170-1760000108.4C24 V26 F38 E39 L42C24-V48 HydrophobicContact CB-CG2 4.41Å; C24-V48 CarbonylContact O-C 3.48Å; V26-V48 HydrophobicContact CB-CG1 4.46Å; V26-V48 HydrophobicContact CG2-CG1 3.47Å; V26-V48 VanDerWaalsContact CG2-CG1 3.47Å; F38-V48 HydrophobicContact CB-CG1 4.3Å; E39-V48 HydrophobicContact CG-CB 4.07Å; E39-V48 HydrophobicContact CG-CG1 4.17Å; E39-V48 HydrophobicContact CG-CG2 4.15Å; L42-V48 HydrophobicContact CB-CG2 3.8Å; L42-V48 HydrophobicContact CD1-CG2 4.03Å
49V94.5Very high91.5Very high5 Ų554.8 Ų54.83%0.0329%0.291CS..EExtended strand (participates in β ladder)trans-102.4113.3-173-175.50000110.1C24 L25 V26 P47 T51 I88C24-V49 PolarHBondContact O-N 2.96Å; L25-V49 WeakPolarHBondContact CA-O 3.22Å; L25-V49 HydrophobicContact CD2-CB 3.93Å; L25-V49 HydrophobicContact CD2-CG1 4.37Å; L25-V49 HydrophobicContact CD2-CG2 4.47Å; V26-V49 PolarHBondContact N-O 3.46Å; P47-V49 HydrophobicContact CB-CG2 4.41Å; V49-T51 PolarHBondContact O-N 2.92Å; V49-I88 HydrophobicContact CG2-CG1 4.16Å
50H94.5Very high91.7Very high58 Ų5851.8 Ų51.827%0.26928%0.277SS..EExtended strand (participates in β ladder)trans-79.4115.7174.2-62.1-115.6000109.1V26 I28 Y35 E39 H83V26-H50 CarbonylContact O-C 3.32Å; V26-H50 WeakPolarHBondContact O-CA 3.34Å; I28-H50 HydrophobicContact CG2-CB 4.36Å; Y35-H50 AromaticContact CD1-CE1 3.22Å; Y35-H50 WeakPolarHBondContact CD1-CE1 3.41Å; Y35-H50 AromaticContact CD1-ND1 3.51Å; Y35-H50 AromaticContact CD2-CE1 3.74Å; Y35-H50 AromaticContact CE1-CE1 3.59Å; Y35-H50 AromaticContact CE1-ND1 3.34Å; Y35-H50 VanDerWaalsContact CE1-ND1 3.34Å; Y35-H50 WeakPolarHBondContact CE1-ND1 3.38Å; Y35-H50 AromaticContact CE2-ND1 3.99Å; Y35-H50 AromaticContact CG-CE1 3.3Å; Y35-H50 AromaticContact CG-ND1 3.91Å; Y35-H50 AromaticContact CZ-CE1 3.97Å; Y35-H50 AromaticContact CZ-ND1 3.58Å; E39-H50 IonicContact OE1-CE1 3.19Å; E39-H50 IonicContact OE1-NE2 2.93Å; E39-H50 PolarHBondContact OE1-NE2 3.46Å; H50-H83 PolarHBondContact O-NE2 2.98Å
51T94.6Very high91.9Very high4 Ų449.3 Ų49.33%0.02525%0.25CC..EExtended strand (participates in β ladder)trans-147.1160-175-164.30000112.8L25 V26 G27 I28 V49 I53 V59 L84L25-T51 HydrophobicContact CB-CG2 4.39Å; V26-T51 PolarHBondContact O-N 3.36Å; G27-T51 WeakPolarHBondContact CA-O 3.2Å; I28-T51 PolarHBondContact N-O 3.47Å; V49-T51 PolarHBondContact O-N 2.92Å; T51-I53 HydrophobicContact CG2-CD1 4.48Å; T51-I53 HydrophobicContact CG2-CG1 4.46Å; T51-V59 HydrophobicContact CG2-CG1 3.98Å; T51-V59 WeakPolarHBondContact O-CG1 3.29Å; T51-L84 HydrophobicContact CG2-CD2 4Å
52S95.2Very high92.3Very high18 Ų1846.9 Ų46.913%0.12624%0.239CC..  trans-104.6159.6157.357.80000109.7C56 E80S52-C56 WeakPolarHBondContact CA-O 3.41Å; S52-C56 WeakPolarHBondContact CB-O 3.42Å; S52-E80 VanDerWaalsContact CB-OE1 3.28Å; S52-E80 WeakPolarHBondContact CB-OE1 3.49Å; S52-E80 WeakPolarHBondContact O-CG 3.43Å; S52-E80 PolarHBondContact OG-OE1 3.08Å
53I94.8Very high92.6Very high0 Ų046.9 Ų46.90%024%0.239CC..BIsolated β-bridgetrans-131.6121.1172.7-62.2-70.2000107T51 N55 C56 V59 L62 T63 V72 P73 T76 E80 L84T51-I53 HydrophobicContact CG2-CD1 4.48Å; T51-I53 HydrophobicContact CG2-CG1 4.46Å; I53-N55 PolarHBondContact O-N 2.85Å; I53-C56 PolarHBondContact N-O 3.46Å; I53-C56 WeakPolarHBondContact O-CA 3.37Å; I53-C56 VanDerWaalsContact O-CB 3.28Å; I53-C56 WeakPolarHBondContact O-CB 3.45Å; I53-C56 PolarHBondContact O-N 2.96Å; I53-V59 HydrophobicContact CB-CG1 4.44Å; I53-V59 HydrophobicContact CG1-CB 4.15Å; I53-V59 HydrophobicContact CG1-CG1 3.85Å; I53-L62 HydrophobicContact CB-CB 4.41Å; I53-L62 HydrophobicContact CB-CD1 4.19Å; I53-L62 HydrophobicContact CG2-CB 3.87Å; I53-L62 HydrophobicContact CG2-CD1 4.02Å; I53-L62 WeakPolarHBondContact O-CD1 3.46Å; I53-T63 HydrophobicContact CB-CG2 4.36Å; I53-T63 HydrophobicContact CD1-CG2 3.83Å; I53-T63 HydrophobicContact CG1-CG2 3.64Å; I53-T63 HydrophobicContact CG2-CG2 4.06Å; I53-V72 HydrophobicContact CD1-CG1 4.06Å; I53-P73 HydrophobicContact CG2-CG 3.67Å; I53-T76 HydrophobicContact CD1-CG2 4.27Å; I53-E80 PolarHBondContact N-OE1 3.03Å; I53-L84 HydrophobicContact CD1-CD1 3.86Å
54A92.7Very high93.3Very high25 Ų2538.6 Ų38.621%0.20721%0.206CC..THydrogen-bonded Turntrans55.737.9-174.200000112.6C56 M75 E80A54-C56 PolarHBondContact O-N 2.73Å; A54-C56 VanDerWaalsContact O-N 3.14Å; A54-M75 HydrophobicContact CB-CB 3.63Å; A54-E80 PolarHBondContact N-OE1 2.74Å; A54-E80 PolarHBondContact N-OE2 2.88Å
55N91.9Very high93.8Very high129 Ų12931.3 Ų31.369%0.6917%0.169SC*.THydrogen-bonded Turntrans58.516.7-172.5-59.2-52.7000114.5I53 E80I53-N55 PolarHBondContact O-N 2.85Å; N55-E80 PolarHBondContact N-OE1 2.99Å
56C92.8Very high94.2Very high53 Ų5329.1 Ų29.136%0.35816%0.158SC..BIsolated β-bridgetrans-106.3151.3177.9-71.10000111.3S52 I53 A54 I58 L62S52-C56 WeakPolarHBondContact CA-O 3.41Å; S52-C56 WeakPolarHBondContact CB-O 3.42Å; I53-C56 PolarHBondContact N-O 3.46Å; I53-C56 WeakPolarHBondContact O-CA 3.37Å; I53-C56 VanDerWaalsContact O-CB 3.28Å; I53-C56 WeakPolarHBondContact O-CB 3.45Å; I53-C56 PolarHBondContact O-N 2.96Å; A54-C56 PolarHBondContact O-N 2.73Å; A54-C56 VanDerWaalsContact O-N 3.14Å; C56-I58 HydrophobicContact CB-CG1 3.9Å; C56-L62 HydrophobicContact CB-CD1 3.78Å
57R91.9Very high94.3Very high135 Ų13533.3 Ų33.351%0.50917%0.173SC..SBendtrans-86-13.4177.8-60.4177.6-77.4176.3-2.8113.1F16 G27 I28 V59F16-R57 HydrophobicContact CD1-CB 4.4Å; G27-R57 WeakPolarHBondContact CA-O 3.44Å; I28-R57 HydrophobicContact CG1-CG 4.43Å; I28-R57 WeakPolarHBondContact O-CD 3.37Å; I28-R57 WeakPolarHBondContact O-CG 3.3Å; R57-V59 PolarHBondContact O-N 3.06Å
58I94.3Very high94.3Very high63 Ų6333 Ų3332%0.32317%0.167SC..  trans-80.952.7-175.557159.3000111.7V15 F16 C56 G60 S61 L62V15-I58 HydrophobicContact CG1-CB 3.76Å; V15-I58 HydrophobicContact CG1-CG2 3.44Å; V15-I58 VanDerWaalsContact CG1-CG2 3.44Å; V15-I58 CarbonylContact O-C 2.86Å; V15-I58 WeakPolarHBondContact O-CA 3.48Å; F16-I58 HydrophobicContact CD1-CG2 4.36Å; F16-I58 HydrophobicContact CE1-CG2 3.96Å; C56-I58 HydrophobicContact CB-CG1 3.9Å; I58-G60 PolarHBondContact O-N 3.3Å; I58-S61 PolarHBondContact O-N 3.18Å; I58-L62 HydrophobicContact CD1-CD1 4.19Å; I58-L62 HydrophobicContact CD1-CD2 4.23Å; I58-L62 HydrophobicContact CD1-CG 3.97Å; I58-L62 HydrophobicContact CG1-CD1 3.81Å; I58-L62 HydrophobicContact CG1-CG 3.92Å; I58-L62 WeakPolarHBondContact O-CG 3.1Å; I58-L62 PolarHBondContact O-N 3.43Å; I58-L62 VanDerWaalsContact O-N 3.1Å
59V95.1Very high94.4Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-60.9-33.4-172.7-57.80000112V15 F16 L25 T51 I53 R57 L62 T63V15-V59 PolarHBondContact O-N 3.38Å; F16-V59 WeakPolarHBondContact O-CG2 3.12Å; L25-V59 HydrophobicContact CB-CG2 4.36Å; T51-V59 HydrophobicContact CG2-CG1 3.98Å; T51-V59 WeakPolarHBondContact O-CG1 3.29Å; I53-V59 HydrophobicContact CB-CG1 4.44Å; I53-V59 HydrophobicContact CG1-CB 4.15Å; I53-V59 HydrophobicContact CG1-CG1 3.85Å; R57-V59 PolarHBondContact O-N 3.06Å; V59-L62 PolarHBondContact O-N 2.94Å; V59-T63 WeakPolarHBondContact O-CB 3.35Å; V59-T63 WeakPolarHBondContact O-CG2 3.46Å; V59-T63 PolarHBondContact O-N 3.47Å; V59-T63 PolarHBondContact O-OG1 3.13Å
60G94.4Very high94.5Very high1 Ų131.7 Ų31.71%0.0116%0.16CC..Hα-helixtrans-64.7-48.617700000111.9G14 V15 R18 I58 L62 T63G14-G60 WeakPolarHBondContact O-CA 3.34Å; V15-G60 WeakPolarHBondContact O-CA 3.49Å; V15-G60 PolarHBondContact O-N 2.97Å; R18-G60 PolarHBondContact NH2-O 3.26Å; I58-G60 PolarHBondContact O-N 3.3Å; G60-L62 VanDerWaalsContact C-N 3.32Å; G60-L62 PolarHBondContact O-N 2.76Å; G60-T63 VanDerWaalsContact O-O 3.08Å
61S94.7Very high94.6Very high13 Ų1329 Ų299%0.09115%0.147CC..Hα-helixtrans-68.3-29178.6-61.60000114V15 I58 A103 G105V15-S61 PolarHBondContact O-N 2.79Å; I58-S61 PolarHBondContact O-N 3.18Å; S61-A103 CarbonylContact O-C 3.55Å; S61-G105 WeakPolarHBondContact O-CA 3.31Å; S61-G105 PolarHBondContact O-N 2.81Å
62L95.4Very high94.6Very high18 Ų1828.8 Ų28.89%0.09415%0.146CC..Hα-helixtrans-89.1-24.9-176.2-67.9178.1000113.9I53 C56 I58 V59 G60 P73I53-L62 HydrophobicContact CB-CB 4.41Å; I53-L62 HydrophobicContact CB-CD1 4.19Å; I53-L62 HydrophobicContact CG2-CB 3.87Å; I53-L62 HydrophobicContact CG2-CD1 4.02Å; I53-L62 WeakPolarHBondContact O-CD1 3.46Å; C56-L62 HydrophobicContact CB-CD1 3.78Å; I58-L62 HydrophobicContact CD1-CD1 4.19Å; I58-L62 HydrophobicContact CD1-CD2 4.23Å; I58-L62 HydrophobicContact CD1-CG 3.97Å; I58-L62 HydrophobicContact CG1-CD1 3.81Å; I58-L62 HydrophobicContact CG1-CG 3.92Å; I58-L62 WeakPolarHBondContact O-CG 3.1Å; I58-L62 PolarHBondContact O-N 3.43Å; I58-L62 VanDerWaalsContact O-N 3.1Å; V59-L62 PolarHBondContact O-N 2.94Å; G60-L62 VanDerWaalsContact C-N 3.32Å; G60-L62 PolarHBondContact O-N 2.76Å; L62-P73 HydrophobicContact CB-CG 4.36Å; L62-P73 WeakPolarHBondContact O-CD 3.39Å
63T95.6Very high94.6Very high0 Ų028.2 Ų28.20%014%0.142CC..  trans-114151.6-173.666.40000112R18 L25 I53 V59 G60 V72 G105R18-T63 VanDerWaalsContact CZ-O 3.27Å; R18-T63 PolarHBondContact NE-O 2.87Å; R18-T63 PolarHBondContact NH2-O 3.19Å; L25-T63 HydrophobicContact CD1-CG2 4.47Å; I53-T63 HydrophobicContact CB-CG2 4.36Å; I53-T63 HydrophobicContact CD1-CG2 3.83Å; I53-T63 HydrophobicContact CG1-CG2 3.64Å; I53-T63 HydrophobicContact CG2-CG2 4.06Å; V59-T63 WeakPolarHBondContact O-CB 3.35Å; V59-T63 WeakPolarHBondContact O-CG2 3.46Å; V59-T63 PolarHBondContact O-N 3.47Å; V59-T63 PolarHBondContact O-OG1 3.13Å; G60-T63 VanDerWaalsContact O-O 3.08Å; T63-V72 HydrophobicContact CG2-CG1 4.02Å; T63-G105 WeakPolarHBondContact O-CA 3.46Å
64V95.4Very high94.5Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-130137.6168.462.70000108.5L71 L104 I108 C110 L133V64-L71 HydrophobicContact CG1-CB 3.72Å; V64-L71 HydrophobicContact CG1-CD1 3.93Å; V64-L71 HydrophobicContact CG1-CG 4.24Å; V64-L71 PolarHBondContact N-O 2.87Å; V64-L71 PolarHBondContact O-N 3.39Å; V64-L104 HydrophobicContact CB-CB 4.42Å; V64-L104 HydrophobicContact CG1-CB 3.99Å; V64-L104 HydrophobicContact CG1-CD1 4.41Å; V64-I108 HydrophobicContact CB-CB 4.5Å; V64-I108 HydrophobicContact CB-CG2 4.47Å; V64-I108 HydrophobicContact CG1-CD1 4.09Å; V64-I108 HydrophobicContact CG2-CB 4.16Å; V64-I108 HydrophobicContact CG2-CG2 3.69Å; V64-C110 HydrophobicContact CG2-CB 4.44Å; V64-C110 WeakPolarHBondContact CG2-SG 3.41Å; V64-L133 HydrophobicContact CG1-CD1 4.49Å; V64-L133 HydrophobicContact CG2-CD1 4.23Å
65G94.1Very high94.5Very high7 Ų739 Ų397%0.07219%0.191CC..EExtended strand (participates in β ladder)trans-166.2160.8-178.200000112.4T20 Y23 G69T20-G65 WeakPolarHBondContact CG2-O 3.43Å; Y23-G65 WeakPolarHBondContact OH-CA 3.36Å; G65-G69 CarbonylContact C-O 3.57Å; G65-G69 WeakPolarHBondContact CA-O 3.24Å
66N95.5Very high94.5Very high3 Ų333 Ų332%0.01616%0.159CC..  trans-142.5-167.5178.871.4-1.9000108.7Y23 H68 G69 N111 D112 L133 V135Y23-N66 WeakPolarHBondContact CE1-O 3.3Å; N66-H68 PolarHBondContact O-N 2.83Å; N66-H68 WeakPolarHBondContact OD1-CA 3.47Å; N66-H68 WeakPolarHBondContact OD1-CB 3.46Å; N66-H68 PolarHBondContact OD1-N 2.91Å; N66-G69 PolarHBondContact N-O 2.97Å; N66-G69 PolarHBondContact OD1-N 3.2Å; N66-N111 PolarHBondContact ND2-O 2.88Å; N66-N111 VanDerWaalsContact ND2-O 3.16Å; N66-D112 WeakPolarHBondContact CB-OD1 3.33Å; N66-L133 PolarHBondContact ND2-O 3.18Å; N66-L133 PolarHBondContact OD1-O 3.48Å; N66-V135 VanDerWaalsContact ND2-CG1 3.33Å; N66-V135 WeakPolarHBondContact ND2-CG1 3.37Å
67R94.5Very high94.7Very high95 Ų9532.5 Ų32.536%0.35815%0.154SC..SBendtrans-60.3-24.1178172155.376.992.813114.5N21 S22 D112N21-R67 HydrophobicContact CB-CB 4.35Å; S22-R67 WeakPolarHBondContact OG-CD 3.3Å; S22-R67 WeakPolarHBondContact OG-CG 3.13Å; R67-D112 VanDerWaalsContact CB-OD1 3.29Å; R67-D112 WeakPolarHBondContact CB-OD1 3.43Å; R67-D112 PolarHBondContact N-OD1 2.97Å; R67-D112 IonicContact NE-OD2 2.91Å
68H95Very high94.8Very high44 Ų4431.6 Ų31.620%0.20416%0.16CC..SBendtrans-95.7-30.1-172.1-58.2-60.3000113.3N66 V92 K93 L133 N134N66-H68 PolarHBondContact O-N 2.83Å; N66-H68 WeakPolarHBondContact OD1-CA 3.47Å; N66-H68 WeakPolarHBondContact OD1-CB 3.46Å; N66-H68 PolarHBondContact OD1-N 2.91Å; H68-V92 WeakPolarHBondContact O-CA 3.45Å; H68-K93 PolarHBondContact O-N 2.87Å; H68-L133 WeakPolarHBondContact CB-O 3.46Å; H68-L133 PolarHBondContact CD2-O 3.09Å; H68-N134 HydrophobicContact CB-CB 4.17Å
69G95.3Very high94.8Very high0 Ų036.6 Ų36.60%018%0.182CC..EExtended strand (participates in β ladder)trans-162.2166.3-175.500000115.3Y23 G65 N66 K93 L133Y23-G69 PolarHBondContact OH-O 3.5Å; Y23-G69 VanDerWaalsContact OH-O 3.08Å; G65-G69 CarbonylContact C-O 3.57Å; G65-G69 WeakPolarHBondContact CA-O 3.24Å; N66-G69 PolarHBondContact N-O 2.97Å; N66-G69 PolarHBondContact OD1-N 3.2Å; G69-K93 CarbonylContact C-O 3.53Å; G69-K93 WeakPolarHBondContact CA-O 3.28Å; G69-L133 WeakPolarHBondContact O-CD2 3.46Å
70L96.8Very high94.8Very high0 Ų037.1 Ų37.10%018%0.184CC..EExtended strand (participates in β ladder)trans-128.6123.3174.3179.763.2000109.3Y23 L25 V72 L84 I88 V92 K93 I94 R95Y23-L70 HydrophobicContact CE2-CD1 4.13Å; Y23-L70 HydrophobicContact CE2-CD2 4.43Å; Y23-L70 VanDerWaalsContact OH-CB 3.3Å; Y23-L70 WeakPolarHBondContact OH-CB 3.12Å; Y23-L70 WeakPolarHBondContact OH-CD1 3.46Å; L25-L70 HydrophobicContact CD1-CD1 3.7Å; L25-L70 HydrophobicContact CD1-CD2 3.77Å; L25-L70 HydrophobicContact CD1-CG 4.41Å; L70-V72 HydrophobicContact CD1-CG1 4.47Å; L70-V72 HydrophobicContact CD2-CG1 3.98Å; L70-V72 HydrophobicContact CG-CG1 3.88Å; L70-L84 HydrophobicContact CD2-CD1 4.06Å; L70-L84 HydrophobicContact CD2-CD2 4.13Å; L70-I88 HydrophobicContact CD2-CD1 3.55Å; L70-V92 HydrophobicContact CB-CG1 4.4Å; L70-K93 PolarHBondContact N-O 3.07Å; L70-I94 HydrophobicContact CB-CG1 4.26Å; L70-I94 HydrophobicContact CB-CG2 4.42Å; L70-I94 HydrophobicContact CD2-CG2 4.33Å; L70-I94 WeakPolarHBondContact O-CA 3.44Å; L70-R95 PolarHBondContact O-N 3.46Å
71L96.1Very high94.8Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-101.2132.2168.7-58.7177.8000110V64 R95 V97 L104 I128 L129 V132 L133V64-L71 HydrophobicContact CG1-CB 3.72Å; V64-L71 HydrophobicContact CG1-CD1 3.93Å; V64-L71 HydrophobicContact CG1-CG 4.24Å; V64-L71 PolarHBondContact N-O 2.87Å; V64-L71 PolarHBondContact O-N 3.39Å; L71-R95 WeakPolarHBondContact CA-O 3.2Å; L71-R95 HydrophobicContact CD2-CB 4.06Å; L71-V97 HydrophobicContact CB-CG2 4.12Å; L71-V97 HydrophobicContact CD1-CG2 4.26Å; L71-V97 HydrophobicContact CD2-CG2 3.76Å; L71-V97 HydrophobicContact CG-CG2 4.27Å; L71-L104 HydrophobicContact CB-CD1 3.96Å; L71-I128 HydrophobicContact CD2-CG2 3.92Å; L71-L129 HydrophobicContact CD1-CB 4.06Å; L71-L129 HydrophobicContact CD1-CD1 4.2Å; L71-L129 HydrophobicContact CD1-CG 3.95Å; L71-V132 HydrophobicContact CD2-CB 3.82Å; L71-V132 HydrophobicContact CD2-CG1 3.62Å; L71-V132 HydrophobicContact CD2-CG2 4.02Å; L71-V132 HydrophobicContact CG-CG1 4.33Å; L71-L133 HydrophobicContact CD1-CD1 4.28Å; L71-L133 HydrophobicContact CD1-CG 4.33Å; L71-L133 HydrophobicContact CG-CD2 4.38Å; L71-L133 HydrophobicContact CG-CG 4.42Å
72V95.6Very high94.8Very high0 Ų041.5 Ų41.50%020%0.203CC..EExtended strand (participates in β ladder)trans-124.4150.5177.5-560000109.3I53 T63 L70 T76 L81 L84 R95 R96 V97I53-V72 HydrophobicContact CD1-CG1 4.06Å; T63-V72 HydrophobicContact CG2-CG1 4.02Å; L70-V72 HydrophobicContact CD1-CG1 4.47Å; L70-V72 HydrophobicContact CD2-CG1 3.98Å; L70-V72 HydrophobicContact CG-CG1 3.88Å; V72-T76 HydrophobicContact CB-CG2 4.37Å; V72-T76 WeakPolarHBondContact CB-OG1 3.2Å; V72-T76 HydrophobicContact CG2-CG2 4.11Å; V72-L81 HydrophobicContact CG2-CD1 4.31Å; V72-L84 HydrophobicContact CG1-CD1 3.99Å; V72-R95 PolarHBondContact N-O 3.26Å; V72-R96 HydrophobicContact CG2-CB 4.47Å; V72-R96 HydrophobicContact CG2-CG 3.72Å; V72-R96 CarbonylContact O-C 3.54Å; V72-R96 WeakPolarHBondContact O-CA 3.32Å; V72-V97 PolarHBondContact O-N 2.8Å
73P94.9Very high94.8Very high6 Ų644.2 Ų44.24%0.03922%0.215CC..EExtended strand (participates in β ladder)trans-67.3155.7179.728.6-35000110.9I53 L62 M75 T76I53-P73 HydrophobicContact CG2-CG 3.67Å; L62-P73 HydrophobicContact CB-CG 4.36Å; L62-P73 WeakPolarHBondContact O-CD 3.39Å; P73-M75 PolarHBondContact O-N 3.32Å; P73-M75 VanDerWaalsContact O-N 3.08Å; P73-T76 WeakPolarHBondContact CD-OG1 3.39Å; P73-T76 VanDerWaalsContact O-CB 3.28Å; P73-T76 WeakPolarHBondContact O-CB 3.49Å; P73-T76 PolarHBondContact O-N 3.4Å; P73-T76 PolarHBondContact O-OG1 2.9Å
74M92.6Very high94.8Very high105 Ų10544.2 Ų44.252%0.51722%0.215SC..THydrogen-bonded Turntrans-56.5-27.5179-173.255.5176.700113.7T76 R96 V97 E98M74-T76 PolarHBondContact O-N 3.17Å; M74-R96 HydrophobicContact SD-CB 4.27Å; M74-V97 WeakPolarHBondContact CB-O 3.25Å; M74-V97 PolarHBondContact N-O 3.12Å; M74-E98 HydrophobicContact CB-CB 4.29Å; M74-E98 HydrophobicContact CG-CB 4.38Å
75M91.9Very high94.7Very high146 Ų14650.3 Ų50.372%0.71924%0.238SC*.THydrogen-bonded Turntrans-69.5-6.6177.4-61.3-61.5-70.600114.2A54 P73 T77A54-M75 HydrophobicContact CB-CB 3.63Å; P73-M75 PolarHBondContact O-N 3.32Å; P73-M75 VanDerWaalsContact O-N 3.08Å; M75-T77 PolarHBondContact O-N 2.97Å
76T93.4Very high94.7Very high3 Ų355.6 Ų55.62%0.01827%0.265CS..  trans-66.7127.6177.8-51.20000110.2I53 V72 P73 M74 E80 R96I53-T76 HydrophobicContact CD1-CG2 4.27Å; V72-T76 HydrophobicContact CB-CG2 4.37Å; V72-T76 WeakPolarHBondContact CB-OG1 3.2Å; V72-T76 HydrophobicContact CG2-CG2 4.11Å; P73-T76 WeakPolarHBondContact CD-OG1 3.39Å; P73-T76 VanDerWaalsContact O-CB 3.28Å; P73-T76 WeakPolarHBondContact O-CB 3.49Å; P73-T76 PolarHBondContact O-N 3.4Å; P73-T76 PolarHBondContact O-OG1 2.9Å; M74-T76 PolarHBondContact O-N 3.17Å; T76-E80 HydrophobicContact CG2-CB 3.74Å; T76-R96 PolarHBondContact O-NE 3.02Å; T76-R96 PolarHBondContact O-NH2 3.01Å
77T95.3Very high94.6Very high43 Ų4357.4 Ų57.426%0.26428%0.278SS..  trans-72.4161.2-176.367.40000112.3M75 Q79 E80 L81 R96M75-T77 PolarHBondContact O-N 2.97Å; T77-Q79 VanDerWaalsContact C-N 3.27Å; T77-Q79 PolarHBondContact O-N 3.18Å; T77-E80 PolarHBondContact N-OE2 3.03Å; T77-E80 PolarHBondContact O-N 2.83Å; T77-E80 WeakPolarHBondContact OG1-CB 3.42Å; T77-E80 WeakPolarHBondContact OG1-CG 3.48Å; T77-E80 PolarHBondContact OG1-N 3.4Å; T77-E80 PolarHBondContact OG1-OE2 3.48Å; T77-E80 VanDerWaalsContact OG1-OE2 3.13Å; T77-L81 WeakPolarHBondContact O-CB 3.48Å; T77-L81 PolarHBondContact O-N 2.64Å; T77-R96 PolarHBondContact O-NH2 2.89Å
78D94Very high94.5Very high117 Ų11753.3 Ų53.363%0.62626%0.263SS*.Hα-helixtrans-63.9-33.1175.9-65.2-35000112.8L81 Q82 R96D78-L81 PolarHBondContact O-N 3.07Å; D78-Q82 WeakPolarHBondContact O-CB 3.36Å; D78-Q82 PolarHBondContact O-N 2.69Å; D78-R96 VanDerWaalsContact N-NH2 3.14Å; D78-R96 IonicContact OD1-CZ 3.66Å; D78-R96 IonicContact OD1-NH1 3.78Å; D78-R96 PolarHBondContact OD1-NH1 3.06Å; D78-R96 IonicContact OD1-NH2 2.73Å; D78-R96 PolarHBondContact OD1-NH2 3.43Å
79Q94.9Very high94.4Very high168 Ų16853 Ų5379%0.78527%0.265SS*.Hα-helixtrans-67.3-46.3175.5-66.2-179.3-9.100111.4T77 L81 Q82 H83T77-Q79 VanDerWaalsContact C-N 3.27Å; T77-Q79 PolarHBondContact O-N 3.18Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 3Å; Q79-Q82 PolarHBondContact O-N 3.44Å; Q79-H83 WeakPolarHBondContact O-CB 3.28Å; Q79-H83 PolarHBondContact O-N 2.85Å
80E95.5Very high94.1Very high10 Ų1060.9 Ų60.95%0.04731%0.307CS..Hα-helixtrans-60-44.3174.1-72.5168.8150.300111.1S52 I53 A54 N55 T76 T77 Q82 H83 L84S52-E80 VanDerWaalsContact CB-OE1 3.28Å; S52-E80 WeakPolarHBondContact CB-OE1 3.49Å; S52-E80 WeakPolarHBondContact O-CG 3.43Å; S52-E80 PolarHBondContact OG-OE1 3.08Å; I53-E80 PolarHBondContact N-OE1 3.03Å; A54-E80 PolarHBondContact N-OE1 2.74Å; A54-E80 PolarHBondContact N-OE2 2.88Å; N55-E80 PolarHBondContact N-OE1 2.99Å; T76-E80 HydrophobicContact CG2-CB 3.74Å; T77-E80 PolarHBondContact N-OE2 3.03Å; T77-E80 PolarHBondContact O-N 2.83Å; T77-E80 WeakPolarHBondContact OG1-CB 3.42Å; T77-E80 WeakPolarHBondContact OG1-CG 3.48Å; T77-E80 PolarHBondContact OG1-N 3.4Å; T77-E80 PolarHBondContact OG1-OE2 3.48Å; T77-E80 VanDerWaalsContact OG1-OE2 3.13Å; E80-Q82 PolarHBondContact O-N 2.85Å; E80-H83 WeakPolarHBondContact O-CB 3.45Å; E80-H83 PolarHBondContact O-N 2.84Å; E80-L84 VanDerWaalsContact O-CG 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.15Å; E80-L84 PolarHBondContact O-N 2.85Å
81L94Very high93.8Very high13 Ų1365.8 Ų65.87%0.06833%0.333CS..Hα-helixtrans-64.7-40.3179.6-171.670.7000112.3V72 T77 D78 Q79 H83 L84 R85 I94 R96V72-L81 HydrophobicContact CG2-CD1 4.31Å; T77-L81 WeakPolarHBondContact O-CB 3.48Å; T77-L81 PolarHBondContact O-N 2.64Å; D78-L81 PolarHBondContact O-N 3.07Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 3Å; L81-H83 VanDerWaalsContact C-N 3.35Å; L81-L84 PolarHBondContact O-N 3.24Å; L81-R85 WeakPolarHBondContact O-CG 3.19Å; L81-R85 PolarHBondContact O-N 3.33Å; L81-I94 HydrophobicContact CD1-CG2 3.54Å; L81-R96 VanDerWaalsContact CB-NH2 3.33Å
82Q94.7Very high93.7Very high94 Ų9466.2 Ų66.244%0.43934%0.336SS..Hα-helixtrans-66.1-39.9176.2-171.661.239.400111.4D78 Q79 E80 R85 N86D78-Q82 WeakPolarHBondContact O-CB 3.36Å; D78-Q82 PolarHBondContact O-N 2.69Å; Q79-Q82 PolarHBondContact O-N 3.44Å; E80-Q82 PolarHBondContact O-N 2.85Å; Q82-R85 PolarHBondContact O-N 3.17Å; Q82-N86 PolarHBondContact NE2-OD1 2.98Å; Q82-N86 PolarHBondContact O-N 2.63Å; Q82-N86 PolarHBondContact O-ND2 3.28Å; Q82-N86 PolarHBondContact O-OD1 3.43Å
83H95.4Very high93.6Very high75 Ų7572.3 Ų72.335%0.34736%0.362SS..Hα-helixtrans-59.8-45.7174.7177.761.3000112H50 Q79 E80 L81 R85 N86 S87H50-H83 PolarHBondContact O-NE2 2.98Å; Q79-H83 WeakPolarHBondContact O-CB 3.28Å; Q79-H83 PolarHBondContact O-N 2.85Å; E80-H83 WeakPolarHBondContact O-CB 3.45Å; E80-H83 PolarHBondContact O-N 2.84Å; L81-H83 VanDerWaalsContact C-N 3.35Å; H83-R85 PolarHBondContact O-N 2.82Å; H83-N86 PolarHBondContact O-N 3.32Å; H83-S87 PolarHBondContact CE1-OG 3.22Å; H83-S87 WeakPolarHBondContact O-CB 3.46Å; H83-S87 PolarHBondContact O-N 3.29Å; H83-S87 VanDerWaalsContact O-N 3.12Å; H83-S87 PolarHBondContact O-OG 3.06Å
84L95.3Very high93.6Very high0 Ų073.3 Ų73.30%037%0.367CS..Hα-helixtrans-60.3-45.7175.6-66.7168.1000111.4L25 T51 I53 L70 V72 E80 L81 N86 S87 I88 I94L25-L84 HydrophobicContact CD1-CD2 4.41Å; L25-L84 HydrophobicContact CD2-CD2 3.89Å; T51-L84 HydrophobicContact CG2-CD2 4Å; I53-L84 HydrophobicContact CD1-CD1 3.86Å; L70-L84 HydrophobicContact CD2-CD1 4.06Å; L70-L84 HydrophobicContact CD2-CD2 4.13Å; V72-L84 HydrophobicContact CG1-CD1 3.99Å; E80-L84 VanDerWaalsContact O-CG 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.15Å; E80-L84 PolarHBondContact O-N 2.85Å; L81-L84 PolarHBondContact O-N 3.24Å; L84-N86 VanDerWaalsContact C-N 3.27Å; L84-N86 PolarHBondContact O-N 3.03Å; L84-S87 PolarHBondContact O-N 2.8Å; L84-I88 HydrophobicContact CB-CD1 4.07Å; L84-I88 HydrophobicContact CD2-CD1 3.95Å; L84-I88 VanDerWaalsContact O-CB 3.29Å; L84-I88 WeakPolarHBondContact O-CB 3.16Å; L84-I88 VanDerWaalsContact O-CG1 3.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.38Å; L84-I88 PolarHBondContact O-N 3.24Å; L84-I94 HydrophobicContact CB-CD1 3.92Å
85R93.6Very high93.7Very high127 Ų12774 Ų7448%0.47936%0.364SS..Hα-helixtrans-61.6-33.2177.7-76.2176.4176.1163.4-0.5113.7L81 Q82 H83 I94L81-R85 WeakPolarHBondContact O-CG 3.19Å; L81-R85 PolarHBondContact O-N 3.33Å; Q82-R85 PolarHBondContact O-N 3.17Å; H83-R85 PolarHBondContact O-N 2.82Å; R85-I94 HydrophobicContact CG-CD1 3.89Å
86N94.1Very high93.8Very high118 Ų11870 Ų7063%0.63134%0.341SS*.Hα-helixtrans-80.8-19.7179.5-66.7-11.8000112.9Q82 H83 L84Q82-N86 PolarHBondContact NE2-OD1 2.98Å; Q82-N86 PolarHBondContact O-N 2.63Å; Q82-N86 PolarHBondContact O-ND2 3.28Å; Q82-N86 PolarHBondContact O-OD1 3.43Å; H83-N86 PolarHBondContact O-N 3.32Å; L84-N86 VanDerWaalsContact C-N 3.27Å; L84-N86 PolarHBondContact O-N 3.03Å
87S93.2Very high93.8Very high41 Ų4170 Ų7029%0.28734%0.341SS..Hα-helixtrans-110.7-23.5-169.1-51.70000113.8H83 L84H83-S87 PolarHBondContact CE1-OG 3.22Å; H83-S87 WeakPolarHBondContact O-CB 3.46Å; H83-S87 PolarHBondContact O-N 3.29Å; H83-S87 VanDerWaalsContact O-N 3.12Å; H83-S87 PolarHBondContact O-OG 3.06Å; L84-S87 PolarHBondContact O-N 2.8Å
88I93.7Very high93.6Very high9 Ų975.5 Ų75.55%0.04636%0.363CS..SBendtrans-93.6149.8179.2-63.6176.8000109.1Y23 L25 V49 L70 L84 V92 I94Y23-I88 HydrophobicContact CD1-CG2 3.78Å; Y23-I88 HydrophobicContact CD2-CD1 4.1Å; Y23-I88 HydrophobicContact CD2-CG1 4.31Å; Y23-I88 HydrophobicContact CE1-CG2 4.23Å; Y23-I88 HydrophobicContact CE2-CD1 4.2Å; Y23-I88 HydrophobicContact CG-CD1 4.48Å; Y23-I88 HydrophobicContact CG-CG1 4.34Å; Y23-I88 HydrophobicContact CG-CG2 3.98Å; L25-I88 HydrophobicContact CD2-CD1 3.91Å; L25-I88 HydrophobicContact CD2-CG1 4.39Å; V49-I88 HydrophobicContact CG2-CG1 4.16Å; L70-I88 HydrophobicContact CD2-CD1 3.55Å; L84-I88 HydrophobicContact CB-CD1 4.07Å; L84-I88 HydrophobicContact CD2-CD1 3.95Å; L84-I88 VanDerWaalsContact O-CB 3.29Å; L84-I88 WeakPolarHBondContact O-CB 3.16Å; L84-I88 VanDerWaalsContact O-CG1 3.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.38Å; L84-I88 PolarHBondContact O-N 3.24Å; I88-V92 HydrophobicContact CG2-CB 3.55Å; I88-V92 HydrophobicContact CG2-CG1 3.76Å; I88-V92 HydrophobicContact CG2-CG2 3.74Å; I88-I94 HydrophobicContact CB-CD1 4.42Å; I88-I94 HydrophobicContact CD1-CD1 4.02Å
89P92.4Very high93.4Very high39 Ų3970.8 Ų70.825%0.25334%0.338SS..  trans-55.6141.4176.7-27.136.9000113.7P47 N91 V92P47-P89 HydrophobicContact CG-CG 4.15Å; P89-N91 WeakPolarHBondContact CB-OD1 3.28Å; P89-N91 PolarHBondContact O-N 3.43Å; P89-N91 VanDerWaalsContact O-N 3.09Å; P89-V92 HydrophobicContact CB-CG2 4.24Å; P89-V92 WeakPolarHBondContact O-CB 3.33Å; P89-V92 PolarHBondContact O-N 3.01Å
90D88.9Confident93.1Very high164 Ų16473.5 Ų73.588%0.87734%0.341SS*.THydrogen-bonded Turntrans-60.9-23-174.7-67.5-37.3000114.3V92D90-V92 PolarHBondContact O-N 3.16Å
91N90.3Very high92.6Very high103 Ų10375.4 Ų75.455%0.55135%0.351SS*.THydrogen-bonded Turntrans-74.6-11.7177.165.8-69.4000113.1P89P89-N91 WeakPolarHBondContact CB-OD1 3.28Å; P89-N91 PolarHBondContact O-N 3.43Å; P89-N91 VanDerWaalsContact O-N 3.09Å
92V93.5Very high92Very high10 Ų1077.9 Ų77.96%0.06137%0.369CS..SBendtrans-88.5117.7-179.2-1780000109.7Y23 H68 L70 I88 P89 D90 I94Y23-V92 HydrophobicContact CD1-CG1 4.24Å; Y23-V92 HydrophobicContact CD1-CG2 3.97Å; Y23-V92 HydrophobicContact CE1-CB 4.42Å; Y23-V92 HydrophobicContact CE1-CG1 3.57Å; Y23-V92 HydrophobicContact CE1-CG2 4.02Å; H68-V92 WeakPolarHBondContact O-CA 3.45Å; L70-V92 HydrophobicContact CB-CG1 4.4Å; I88-V92 HydrophobicContact CG2-CB 3.55Å; I88-V92 HydrophobicContact CG2-CG1 3.76Å; I88-V92 HydrophobicContact CG2-CG2 3.74Å; P89-V92 HydrophobicContact CB-CG2 4.24Å; P89-V92 WeakPolarHBondContact O-CB 3.33Å; P89-V92 PolarHBondContact O-N 3.01Å; D90-V92 PolarHBondContact O-N 3.16Å; V92-I94 PolarHBondContact O-N 3.48Å
93K94.6Very high91.7Very high128 Ų12874.7 Ų74.756%0.55736%0.359SS*.EExtended strand (participates in β ladder)trans-76.3121.9176.8-65.6176.9-171.4170.40110.3H68 G69 L70 N131 V132H68-K93 PolarHBondContact O-N 2.87Å; G69-K93 CarbonylContact C-O 3.53Å; G69-K93 WeakPolarHBondContact CA-O 3.28Å; L70-K93 PolarHBondContact N-O 3.07Å; K93-N131 PolarHBondContact NZ-O 3.12Å; K93-V132 HydrophobicContact CB-CG1 3.99Å; K93-V132 WeakPolarHBondContact O-CG1 3.1Å
94I95Very high91.7Very high27 Ų2771.1 Ų71.114%0.13834%0.343CS..EExtended strand (participates in β ladder)trans-106.6125177.1-50.3172.3000109.8L70 L81 L84 R85 I88 V92L70-I94 HydrophobicContact CB-CG1 4.26Å; L70-I94 HydrophobicContact CB-CG2 4.42Å; L70-I94 HydrophobicContact CD2-CG2 4.33Å; L70-I94 WeakPolarHBondContact O-CA 3.44Å; L81-I94 HydrophobicContact CD1-CG2 3.54Å; L84-I94 HydrophobicContact CB-CD1 3.92Å; R85-I94 HydrophobicContact CG-CD1 3.89Å; I88-I94 HydrophobicContact CB-CD1 4.42Å; I88-I94 HydrophobicContact CD1-CD1 4.02Å; V92-I94 PolarHBondContact O-N 3.48Å
95R94.3Very high91.6Very high119 Ų11971.2 Ų71.245%0.44934%0.343SS..EExtended strand (participates in β ladder)trans-137.8139.9179.7-174157.4176.5172.8-0.3112.5L70 L71 V72 I128 V132L70-R95 PolarHBondContact O-N 3.46Å; L71-R95 WeakPolarHBondContact CA-O 3.2Å; L71-R95 HydrophobicContact CD2-CB 4.06Å; V72-R95 PolarHBondContact N-O 3.26Å; R95-I128 HydrophobicContact CG-CG2 4.19Å; R95-V132 HydrophobicContact CB-CG2 3.9Å; R95-V132 HydrophobicContact CG-CG2 4.44Å
96R94.3Very high91.6Very high62 Ų6267.4 Ų67.423%0.23433%0.332CS..EExtended strand (participates in β ladder)trans-80.7139.1167.8-72.1-177.1-173.1150.97.1110V72 M74 T76 T77 D78 L81V72-R96 HydrophobicContact CG2-CB 4.47Å; V72-R96 HydrophobicContact CG2-CG 3.72Å; V72-R96 CarbonylContact O-C 3.54Å; V72-R96 WeakPolarHBondContact O-CA 3.32Å; M74-R96 HydrophobicContact SD-CB 4.27Å; T76-R96 PolarHBondContact O-NE 3.02Å; T76-R96 PolarHBondContact O-NH2 3.01Å; T77-R96 PolarHBondContact O-NH2 2.89Å; D78-R96 VanDerWaalsContact N-NH2 3.14Å; D78-R96 IonicContact OD1-CZ 3.66Å; D78-R96 IonicContact OD1-NH1 3.78Å; D78-R96 PolarHBondContact OD1-NH1 3.06Å; D78-R96 IonicContact OD1-NH2 2.73Å; D78-R96 PolarHBondContact OD1-NH2 3.43Å; L81-R96 VanDerWaalsContact CB-NH2 3.33Å
97V92.6Very high91.6Very high2 Ų262 Ų621%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-120.7127.2177.9-176.80000109.3L71 V72 M74 E99 L104 T125 I128L71-V97 HydrophobicContact CB-CG2 4.12Å; L71-V97 HydrophobicContact CD1-CG2 4.26Å; L71-V97 HydrophobicContact CD2-CG2 3.76Å; L71-V97 HydrophobicContact CG-CG2 4.27Å; V72-V97 PolarHBondContact O-N 2.8Å; M74-V97 WeakPolarHBondContact CB-O 3.25Å; M74-V97 PolarHBondContact N-O 3.12Å; V97-E99 HydrophobicContact CG1-CB 3.91Å; V97-E99 PolarHBondContact O-N 3.33Å; V97-L104 HydrophobicContact CB-CD1 4.46Å; V97-T125 HydrophobicContact CG1-CG2 3.59Å; V97-I128 HydrophobicContact CG2-CG2 3.98Å
98E91.2Very high91.7Very high159 Ų15960 Ų6074%0.74329%0.29SS*.  trans-88.199.7167.3-173.6170.9-174.600108.2M74M74-E98 HydrophobicContact CB-CB 4.29Å; M74-E98 HydrophobicContact CG-CB 4.38Å
99E90.3Very high91.8Very high19 Ų1959.9 Ų59.99%0.08929%0.29CS..  trans-133.6135.9-178.7174.551.3-108.400108V97 L101 L104 L121 D122 T125V97-E99 HydrophobicContact CG1-CB 3.91Å; V97-E99 PolarHBondContact O-N 3.33Å; E99-L101 HydrophobicContact CG-CB 4.1Å; E99-L101 PolarHBondContact O-N 3.38Å; E99-L101 PolarHBondContact OE1-N 2.87Å; E99-L101 VanDerWaalsContact OE1-N 3.1Å; E99-L104 HydrophobicContact CB-CD2 4.24Å; E99-L104 HydrophobicContact CG-CD2 4.26Å; E99-L121 HydrophobicContact CG-CD1 4.14Å; E99-L121 WeakPolarHBondContact OE2-CD1 3.44Å; E99-D122 WeakPolarHBondContact OE2-CB 3.39Å; E99-D122 PolarHBondContact OE2-N 2.96Å; E99-T125 HydrophobicContact CB-CG2 4.43Å; E99-T125 HydrophobicContact CG-CG2 4.39Å; E99-T125 WeakPolarHBondContact OE2-CB 3.28Å; E99-T125 PolarHBondContact OE2-OG1 2.97Å
100R87.9Confident91.9Very high225 Ų22558.8 Ų58.885%0.84928%0.283SS*.SBendtrans-61.8-39.2177.5174.9-178.7149.6158-6.6110.4S102R100-S102 VanDerWaalsContact C-N 3.26Å; R100-S102 PolarHBondContact O-N 3.03Å
101L85.9Confident92.2Very high50 Ų5051.4 Ų51.426%0.26224%0.243SC..SBendtrans-80.771.3173.3-58.7177000110.7E99 A103 V107 H118E99-L101 HydrophobicContact CG-CB 4.1Å; E99-L101 PolarHBondContact O-N 3.38Å; E99-L101 PolarHBondContact OE1-N 2.87Å; E99-L101 VanDerWaalsContact OE1-N 3.1Å; L101-A103 PolarHBondContact O-N 2.77Å; L101-V107 HydrophobicContact CB-CG1 4.01Å; L101-V107 HydrophobicContact CB-CG2 4.34Å; L101-V107 HydrophobicContact CD1-CG1 4.04Å; L101-H118 HydrophobicContact CD1-CB 4.33Å
102S79.9Confident92.4Very high65 Ų6546.8 Ų46.846%0.45522%0.219SC..  trans-60.2-22.4-168.961.10000116.1R100 L104R100-S102 VanDerWaalsContact C-N 3.26Å; R100-S102 PolarHBondContact O-N 3.03Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 2.8Å
103A90.3Very high92.5Very high27 Ų2753.1 Ų53.122%0.22324%0.243CC..  trans-83.271.1176.100000110.8S61 L101 G105 N106 V107S61-A103 CarbonylContact O-C 3.55Å; L101-A103 PolarHBondContact O-N 2.77Å; A103-G105 PolarHBondContact O-N 3.5Å; A103-G105 VanDerWaalsContact O-N 3.1Å; A103-N106 HydrophobicContact CB-CB 4.16Å; A103-N106 WeakPolarHBondContact O-CB 3.49Å; A103-N106 PolarHBondContact O-N 2.89Å; A103-V107 PolarHBondContact O-N 2.82Å
104L93.4Very high92.5Very high0 Ų047.5 Ų47.50%022%0.219CC..Hα-helixtrans-51.1-39.2-174.8-60.7177.9000112.4V64 L71 V97 E99 S102 N106 V107 I108V64-L104 HydrophobicContact CB-CB 4.42Å; V64-L104 HydrophobicContact CG1-CB 3.99Å; V64-L104 HydrophobicContact CG1-CD1 4.41Å; L71-L104 HydrophobicContact CB-CD1 3.96Å; V97-L104 HydrophobicContact CB-CD1 4.46Å; E99-L104 HydrophobicContact CB-CD2 4.24Å; E99-L104 HydrophobicContact CG-CD2 4.26Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 2.8Å; L104-N106 VanDerWaalsContact C-N 3.25Å; L104-N106 PolarHBondContact O-N 3.39Å; L104-V107 WeakPolarHBondContact O-CG2 3.34Å; L104-V107 PolarHBondContact O-N 3.16Å; L104-I108 HydrophobicContact CB-CD1 4.31Å; L104-I108 HydrophobicContact CD2-CD1 4.19Å; L104-I108 WeakPolarHBondContact O-CB 3.41Å; L104-I108 PolarHBondContact O-N 3.12Å
105G93.2Very high92.6Very high1 Ų146.2 Ų46.21%0.0121%0.212CC..Hα-helixtrans-68.3-18.8-179.900000115.5S61 T63 A103 G149S61-G105 WeakPolarHBondContact O-CA 3.31Å; S61-G105 PolarHBondContact O-N 2.81Å; T63-G105 WeakPolarHBondContact O-CA 3.46Å; A103-G105 PolarHBondContact O-N 3.5Å; A103-G105 VanDerWaalsContact O-N 3.1Å; G105-G149 CarbonylContact O-C 3.47Å; G105-G149 WeakPolarHBondContact O-CA 3.2Å
106N94.5Very high92.6Very high47 Ų4740.6 Ų40.625%0.25119%0.191SC..Hα-helixtrans-91.9-25.1176.7-66-4000111.9A103 L104 L147 G149 T150A103-N106 HydrophobicContact CB-CB 4.16Å; A103-N106 WeakPolarHBondContact O-CB 3.49Å; A103-N106 PolarHBondContact O-N 2.89Å; L104-N106 VanDerWaalsContact C-N 3.25Å; L104-N106 PolarHBondContact O-N 3.39Å; N106-L147 CarbonylContact O-C 3.53Å; N106-G149 CarbonylContact O-C 3.59Å; N106-G149 WeakPolarHBondContact O-CA 3.41Å; N106-G149 PolarHBondContact O-N 2.72Å; N106-T150 PolarHBondContact O-N 3.38Å; N106-T150 PolarHBondContact O-OG1 3.5Å
107V94.2Very high92.7Very high4 Ų437.6 Ų37.62%0.02418%0.18CC..Hα-helixtrans-99.4-16.8-178-67.90000113.6L101 A103 L104 H118 L147 V148L101-V107 HydrophobicContact CB-CG1 4.01Å; L101-V107 HydrophobicContact CB-CG2 4.34Å; L101-V107 HydrophobicContact CD1-CG1 4.04Å; A103-V107 PolarHBondContact O-N 2.82Å; L104-V107 WeakPolarHBondContact O-CG2 3.34Å; L104-V107 PolarHBondContact O-N 3.16Å; V107-H118 HydrophobicContact CB-CB 3.99Å; V107-H118 HydrophobicContact CG1-CB 4.36Å; V107-H118 PolarHBondContact O-N 2.91Å; V107-L147 HydrophobicContact CG1-CD2 3.78Å; V107-V148 WeakPolarHBondContact O-CG2 3.36Å
108I95.7Very high92.8Very high0 Ų038 Ų380%018%0.181CC..EExtended strand (participates in β ladder)trans-128.2133.2-178.2-59.6151.1000109.2V64 L104 A115 L116 V117 L129 G149V64-I108 HydrophobicContact CB-CB 4.5Å; V64-I108 HydrophobicContact CB-CG2 4.47Å; V64-I108 HydrophobicContact CG1-CD1 4.09Å; V64-I108 HydrophobicContact CG2-CB 4.16Å; V64-I108 HydrophobicContact CG2-CG2 3.69Å; L104-I108 HydrophobicContact CB-CD1 4.31Å; L104-I108 HydrophobicContact CD2-CD1 4.19Å; L104-I108 WeakPolarHBondContact O-CB 3.41Å; L104-I108 PolarHBondContact O-N 3.12Å; I108-A115 HydrophobicContact CG2-CB 4.43Å; I108-L116 WeakPolarHBondContact CA-O 3.45Å; I108-V117 HydrophobicContact CG1-CB 4.44Å; I108-V117 HydrophobicContact CG1-CG1 4.06Å; I108-V117 HydrophobicContact CG2-CG1 4.17Å; I108-L129 HydrophobicContact CD1-CD1 3.64Å; I108-L129 HydrophobicContact CG1-CD1 4.05Å; I108-L129 HydrophobicContact CG2-CD1 3.84Å; I108-G149 WeakPolarHBondContact O-CA 3.33Å
109S95.3Very high92.8Very high7 Ų732.4 Ų32.45%0.04916%0.159CC..EExtended strand (participates in β ladder)trans-121.2129.1166.2-163.70000108.5A115 L116 V152 M154S109-A115 CarbonylContact O-C 3.5Å; S109-A115 WeakPolarHBondContact O-CA 3.45Å; S109-L116 PolarHBondContact N-O 2.74Å; S109-L116 PolarHBondContact O-N 3.33Å; S109-V152 WeakPolarHBondContact CB-O 3.12Å; S109-V152 PolarHBondContact OG-O 3.22Å; S109-M154 WeakPolarHBondContact OG-CE 3.33Å
110C95Very high92.9Very high16 Ų1638.7 Ų38.711%0.10819%0.188CC..EExtended strand (participates in β ladder)trans-138.6150.3-176.866.40000112.4V64 V114 A115 L133 M154V64-C110 HydrophobicContact CG2-CB 4.44Å; V64-C110 WeakPolarHBondContact CG2-SG 3.41Å; C110-V114 WeakPolarHBondContact CA-O 3.5Å; C110-A115 HydrophobicContact CB-CB 3.74Å; C110-L133 HydrophobicContact CB-CD1 4.49Å; C110-M154 VanDerWaalsContact C-SD 3.54Å
111N94.9Very high93.1Very high8 Ų828.1 Ų28.14%0.04315%0.148CC..  trans-109.9-161.2160.268.414.7000109.3N66 Y113 V114 M154 S155 N156N66-N111 PolarHBondContact ND2-O 2.88Å; N66-N111 VanDerWaalsContact ND2-O 3.16Å; N111-Y113 VanDerWaalsContact C-N 3.27Å; N111-Y113 PolarHBondContact O-N 3.06Å; N111-Y113 PolarHBondContact OD1-N 3.24Å; N111-V114 PolarHBondContact N-O 3.49Å; N111-V114 PolarHBondContact OD1-N 2.93Å; N111-V114 PolarHBondContact OD1-O 2.87Å; N111-V114 VanDerWaalsContact OD1-O 3.09Å; N111-M154 HydrophobicContact CB-CG 4.07Å; N111-M154 HydrophobicContact CB-SD 4.2Å; N111-S155 PolarHBondContact ND2-O 2.9Å; N111-N156 WeakPolarHBondContact CB-OD1 3Å
112D94.4Very high93.4Very high6 Ų629.7 Ų29.73%0.03216%0.157CC..SBendtrans-78.4-9.6-179.2-67.5-26.9000113.6N21 N66 R67 N156N21-D112 PolarHBondContact ND2-OD2 2.8Å; N66-D112 WeakPolarHBondContact CB-OD1 3.33Å; R67-D112 VanDerWaalsContact CB-OD1 3.29Å; R67-D112 WeakPolarHBondContact CB-OD1 3.43Å; R67-D112 PolarHBondContact N-OD1 2.97Å; R67-D112 IonicContact NE-OD2 2.91Å; D112-N156 WeakPolarHBondContact CB-OD1 3.46Å; D112-N156 PolarHBondContact N-OD1 3.29Å; D112-N156 PolarHBondContact OD2-ND2 2.98Å
113Y95.1Very high94Very high144 Ų14434.2 Ų34.257%0.56517%0.169SC*.SBendtrans-120.5-33.4-173-57.9-76.4000113.9N111 V135 E136 N156N111-Y113 VanDerWaalsContact C-N 3.27Å; N111-Y113 PolarHBondContact O-N 3.06Å; N111-Y113 PolarHBondContact OD1-N 3.24Å; Y113-V135 CarbonylContact O-C 3.56Å; Y113-V135 VanDerWaalsContact O-CA 3.27Å; Y113-V135 WeakPolarHBondContact O-CA 3.28Å; Y113-V135 WeakPolarHBondContact O-CB 3.45Å; Y113-E136 PolarHBondContact O-N 3.33Å; Y113-N156 WeakPolarHBondContact CD2-OD1 3.49Å; Y113-N156 HydrophobicContact CE2-CB 4.13Å
114V95.7Very high94.1Very high10 Ų1039.6 Ų39.66%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-138.7143.5-170.2-177.90000110.3C110 N111 E136 F138 L177C110-V114 WeakPolarHBondContact CA-O 3.5Å; N111-V114 PolarHBondContact N-O 3.49Å; N111-V114 PolarHBondContact OD1-N 2.93Å; N111-V114 PolarHBondContact OD1-O 2.87Å; N111-V114 VanDerWaalsContact OD1-O 3.09Å; V114-E136 CarbonylContact C-O 3.51Å; V114-E136 WeakPolarHBondContact CA-O 3.5Å; V114-F138 HydrophobicContact CG1-CD2 3.36Å; V114-F138 HydrophobicContact CG1-CE2 3.48Å; V114-F138 VanDerWaalsContact CG1-CE2 3.48Å; V114-F138 HydrophobicContact CG2-CE2 4.29Å; V114-L177 HydrophobicContact CB-CD2 4.06Å; V114-L177 HydrophobicContact CG1-CD2 3.6Å
115A96.3Very high94Very high0 Ų039.8 Ų39.80%019%0.19CC..EExtended strand (participates in β ladder)trans-124.4129.4169.500000111.3I108 S109 C110 V117 L129 V135 E136 I137 F138I108-A115 HydrophobicContact CG2-CB 4.43Å; S109-A115 CarbonylContact O-C 3.5Å; S109-A115 WeakPolarHBondContact O-CA 3.45Å; C110-A115 HydrophobicContact CB-CB 3.74Å; A115-V117 HydrophobicContact CB-CG1 4.4Å; A115-L129 HydrophobicContact CB-CD2 3.64Å; A115-V135 HydrophobicContact CB-CB 4.47Å; A115-V135 HydrophobicContact CB-CG2 3.62Å; A115-E136 PolarHBondContact N-O 3.13Å; A115-I137 WeakPolarHBondContact O-CA 3.43Å; A115-F138 PolarHBondContact O-N 3.38Å
116L95.4Very high94Very high0 Ų041.8 Ų41.80%020%0.2CC..EExtended strand (participates in β ladder)trans-89.6129.9164.8-57.3-177.3000108.7I108 S109 F138 V148 V152 M154 V173 L177I108-L116 WeakPolarHBondContact CA-O 3.45Å; S109-L116 PolarHBondContact N-O 2.74Å; S109-L116 PolarHBondContact O-N 3.33Å; L116-F138 WeakPolarHBondContact CA-O 3.38Å; L116-F138 HydrophobicContact CD2-CB 3.92Å; L116-V148 HydrophobicContact CB-CB 4.31Å; L116-V148 HydrophobicContact CB-CG2 4.16Å; L116-V148 WeakPolarHBondContact O-CG2 3.36Å; L116-V152 HydrophobicContact CD1-CG1 4.24Å; L116-V152 HydrophobicContact CD1-CG2 4.4Å; L116-M154 HydrophobicContact CB-CE 4.2Å; L116-M154 HydrophobicContact CD1-CE 3.61Å; L116-M154 HydrophobicContact CG-CE 3.66Å; L116-V173 HydrophobicContact CD1-CG1 4.14Å; L116-L177 HydrophobicContact CD1-CD1 4.33Å; L116-L177 HydrophobicContact CD1-CD2 4.19Å; L116-L177 HydrophobicContact CD2-CD2 3.89Å; L116-L177 HydrophobicContact CG-CD2 3.92Å
117V95.6Very high94Very high0 Ų045.5 Ų45.50%022%0.215CC..EExtended strand (participates in β ladder)trans-127.5155.8-176.1-55.50000112.1I108 A115 L121 L129 I137 F138 R139 C140I108-V117 HydrophobicContact CG1-CB 4.44Å; I108-V117 HydrophobicContact CG1-CG1 4.06Å; I108-V117 HydrophobicContact CG2-CG1 4.17Å; A115-V117 HydrophobicContact CB-CG1 4.4Å; V117-L121 HydrophobicContact CB-CD2 3.83Å; V117-L121 HydrophobicContact CG1-CD2 4.01Å; V117-L121 HydrophobicContact CG2-CD2 4.16Å; V117-L129 HydrophobicContact CG1-CD1 4.15Å; V117-I137 HydrophobicContact CB-CG2 4.2Å; V117-I137 HydrophobicContact CG1-CG2 3.62Å; V117-I137 HydrophobicContact CG2-CG2 3.45Å; V117-I137 VanDerWaalsContact CG2-CG2 3.45Å; V117-F138 PolarHBondContact N-O 3.19Å; V117-R139 HydrophobicContact CG2-CB 4.41Å; V117-R139 HydrophobicContact CG2-CG 3.63Å; V117-C140 PolarHBondContact O-N 3.01Å
118H94.5Very high94Very high10 Ų1046 Ų465%0.04622%0.217CC..  trans-55.4135.4172.1-171.3-84.2000111.2L101 V107 E120 L121 V146L101-H118 HydrophobicContact CD1-CB 4.33Å; V107-H118 HydrophobicContact CB-CB 3.99Å; V107-H118 HydrophobicContact CG1-CB 4.36Å; V107-H118 PolarHBondContact O-N 2.91Å; H118-E120 IonicContact CE1-OE2 3.5Å; H118-E120 WeakPolarHBondContact ND1-CB 3.17Å; H118-E120 PolarHBondContact ND1-N 3.25Å; H118-E120 PolarHBondContact O-N 3.08Å; H118-E120 VanDerWaalsContact O-N 3.16Å; H118-L121 VanDerWaalsContact O-CB 3.25Å; H118-L121 WeakPolarHBondContact O-CB 3.41Å; H118-L121 PolarHBondContact O-N 2.95Å; H118-V146 PolarHBondContact CD2-O 2.88Å; H118-V146 VanDerWaalsContact NE2-CB 3.29Å; H118-V146 WeakPolarHBondContact NE2-CB 3.33Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.42Å
119P91.7Very high94Very high42 Ų4246 Ų4627%0.27322%0.217SC..THydrogen-bonded Turntrans-59.1-31.2-177.1-26.534.1000114.8L121 R139 T141P119-L121 VanDerWaalsContact C-N 3.35Å; P119-R139 PolarHBondContact O-NH1 2.99Å; P119-T141 HydrophobicContact CG-CG2 3.65Å
120E91.4Very high93.9Very high150 Ų15050.6 Ų50.670%0.70124%0.238SC*.THydrogen-bonded Turntrans-92.416.2178.6-48.7-177.9154.900113.6H118H118-E120 IonicContact CE1-OE2 3.5Å; H118-E120 WeakPolarHBondContact ND1-CB 3.17Å; H118-E120 PolarHBondContact ND1-N 3.25Å; H118-E120 PolarHBondContact O-N 3.08Å; H118-E120 VanDerWaalsContact O-N 3.16Å
121L92.1Very high93.9Very high3 Ų354.7 Ų54.72%0.01626%0.259CS..  trans-63139175.4-16874.5000110.7E99 V117 H118 P119 T125 R139E99-L121 HydrophobicContact CG-CD1 4.14Å; E99-L121 WeakPolarHBondContact OE2-CD1 3.44Å; V117-L121 HydrophobicContact CB-CD2 3.83Å; V117-L121 HydrophobicContact CG1-CD2 4.01Å; V117-L121 HydrophobicContact CG2-CD2 4.16Å; H118-L121 VanDerWaalsContact O-CB 3.25Å; H118-L121 WeakPolarHBondContact O-CB 3.41Å; H118-L121 PolarHBondContact O-N 2.95Å; P119-L121 VanDerWaalsContact C-N 3.35Å; L121-T125 HydrophobicContact CD1-CG2 3.87Å; L121-T125 HydrophobicContact CD2-CG2 4.06Å; L121-T125 HydrophobicContact CG-CG2 4.05Å; L121-R139 PolarHBondContact O-NH1 3.35Å; L121-R139 PolarHBondContact O-NH2 3.43Å
122D92.9Very high94Very high83 Ų8354.7 Ų54.744%0.44426%0.26SS..  trans-64.1141.7178.5-75.2-26.1000111E99 E124 T125 E126E99-D122 WeakPolarHBondContact OE2-CB 3.39Å; E99-D122 PolarHBondContact OE2-N 2.96Å; D122-E124 VanDerWaalsContact C-N 3.26Å; D122-E124 PolarHBondContact O-N 3.02Å; D122-T125 WeakPolarHBondContact O-CB 3.48Å; D122-T125 PolarHBondContact O-N 3.17Å; D122-T125 VanDerWaalsContact O-N 3.17Å; D122-E126 PolarHBondContact O-N 2.81Å
123K91.7Very high94Very high160 Ų16054.4 Ų54.470%0.69626%0.258SS*.Hα-helixtrans-63.1-34-178.5-69-174.8178-175.80112.4E126 E127K123-E126 WeakPolarHBondContact O-CB 3.3Å; K123-E126 PolarHBondContact O-N 2.64Å; K123-E127 WeakPolarHBondContact O-CG 3.2Å; K123-E127 PolarHBondContact O-N 2.89Å
124E92.7Very high94Very high141 Ų14152.8 Ų52.866%0.65926%0.259SS*.Hα-helixtrans-64.4-43.8175.3-175.9175179.700111D122 E126 E127 I128D122-E124 VanDerWaalsContact C-N 3.26Å; D122-E124 PolarHBondContact O-N 3.02Å; E124-E126 VanDerWaalsContact C-N 3.3Å; E124-E126 PolarHBondContact O-N 3.08Å; E124-E127 PolarHBondContact O-N 3.39Å; E124-I128 HydrophobicContact CG-CD1 4.19Å; E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.36Å; E124-I128 PolarHBondContact O-N 3.1Å
125T91.9Very high94Very high3 Ų352.5 Ų52.52%0.01826%0.257CS..Hα-helixtrans-61.1-40.3174.4-57.10000111.6V97 E99 L121 D122 I128 L129V97-T125 HydrophobicContact CG1-CG2 3.59Å; E99-T125 HydrophobicContact CB-CG2 4.43Å; E99-T125 HydrophobicContact CG-CG2 4.39Å; E99-T125 WeakPolarHBondContact OE2-CB 3.28Å; E99-T125 PolarHBondContact OE2-OG1 2.97Å; L121-T125 HydrophobicContact CD1-CG2 3.87Å; L121-T125 HydrophobicContact CD2-CG2 4.06Å; L121-T125 HydrophobicContact CG-CG2 4.05Å; D122-T125 WeakPolarHBondContact O-CB 3.48Å; D122-T125 PolarHBondContact O-N 3.17Å; D122-T125 VanDerWaalsContact O-N 3.17Å; T125-I128 PolarHBondContact O-N 3.22Å; T125-L129 VanDerWaalsContact O-CB 3.3Å; T125-L129 WeakPolarHBondContact O-CB 3.43Å; T125-L129 PolarHBondContact O-N 2.92Å
126E93Very high94Very high44 Ų4458.5 Ų58.521%0.20629%0.285CS..Hα-helixtrans-60-49.1175.4-175.4174.5163.900112D122 K123 E124 I128 L129 Q130 I137 R139D122-E126 PolarHBondContact O-N 2.81Å; K123-E126 WeakPolarHBondContact O-CB 3.3Å; K123-E126 PolarHBondContact O-N 2.64Å; E124-E126 VanDerWaalsContact C-N 3.3Å; E124-E126 PolarHBondContact O-N 3.08Å; E126-I128 VanDerWaalsContact C-N 3.31Å; E126-I128 PolarHBondContact O-N 2.96Å; E126-L129 WeakPolarHBondContact O-CB 3.47Å; E126-L129 PolarHBondContact O-N 3.26Å; E126-L129 VanDerWaalsContact O-N 3.13Å; E126-Q130 PolarHBondContact O-N 3.14Å; E126-I137 HydrophobicContact CB-CD1 4.34Å; E126-I137 HydrophobicContact CG-CB 4.24Å; E126-I137 HydrophobicContact CG-CD1 3.5Å; E126-I137 VanDerWaalsContact CG-CD1 3.5Å; E126-I137 HydrophobicContact CG-CG1 4.46Å; E126-I137 HydrophobicContact CG-CG2 3.96Å; E126-I137 WeakPolarHBondContact O-CD1 3.45Å; E126-R139 IonicContact OE2-CZ 3.69Å; E126-R139 IonicContact OE2-NE 2.65Å; E126-R139 PolarHBondContact OE2-NE 3.1Å; E126-R139 IonicContact OE2-NH2 2.84Å; E126-R139 PolarHBondContact OE2-NH2 3.49Å
127E94.9Very high94Very high125 Ų12559.6 Ų59.658%0.58429%0.291SS*.Hα-helixtrans-61.1-40.4176.5-71.8177.2-165.700112K123 E124 L129 N131K123-E127 WeakPolarHBondContact O-CG 3.2Å; K123-E127 PolarHBondContact O-N 2.89Å; E124-E127 PolarHBondContact O-N 3.39Å; E127-L129 VanDerWaalsContact C-N 3.32Å; E127-N131 WeakPolarHBondContact O-CB 3.42Å; E127-N131 VanDerWaalsContact O-CG 3.27Å; E127-N131 PolarHBondContact O-N 2.83Å; E127-N131 VanDerWaalsContact O-N 3.12Å; E127-N131 PolarHBondContact O-ND2 2.78Å
128I94.4Very high93.9Very high13 Ų1362.2 Ų62.27%0.06730%0.303CS..Hα-helixtrans-62.4-44.1175.3-68.8167.7000110.3L71 R95 V97 E124 T125 E126 N131 V132L71-I128 HydrophobicContact CD2-CG2 3.92Å; R95-I128 HydrophobicContact CG-CG2 4.19Å; V97-I128 HydrophobicContact CG2-CG2 3.98Å; E124-I128 HydrophobicContact CG-CD1 4.19Å; E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.36Å; E124-I128 PolarHBondContact O-N 3.1Å; T125-I128 PolarHBondContact O-N 3.22Å; E126-I128 VanDerWaalsContact C-N 3.31Å; E126-I128 PolarHBondContact O-N 2.96Å; I128-N131 PolarHBondContact O-N 3.02Å; I128-V132 HydrophobicContact CG2-CG2 4Å; I128-V132 VanDerWaalsContact O-CB 3.31Å; I128-V132 WeakPolarHBondContact O-CB 3.34Å; I128-V132 VanDerWaalsContact O-CG2 3.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.27Å; I128-V132 PolarHBondContact O-N 3.11Å
129L94.3Very high93.9Very high0 Ų066.5 Ų66.50%032%0.318CS..Hα-helixtrans-62.8-47-178.6-167.6153.5000111.6L71 I108 A115 V117 T125 E126 E127 N131 V132 L133 V135 I137L71-L129 HydrophobicContact CD1-CB 4.06Å; L71-L129 HydrophobicContact CD1-CD1 4.2Å; L71-L129 HydrophobicContact CD1-CG 3.95Å; I108-L129 HydrophobicContact CD1-CD1 3.64Å; I108-L129 HydrophobicContact CG1-CD1 4.05Å; I108-L129 HydrophobicContact CG2-CD1 3.84Å; A115-L129 HydrophobicContact CB-CD2 3.64Å; V117-L129 HydrophobicContact CG1-CD1 4.15Å; T125-L129 VanDerWaalsContact O-CB 3.3Å; T125-L129 WeakPolarHBondContact O-CB 3.43Å; T125-L129 PolarHBondContact O-N 2.92Å; E126-L129 WeakPolarHBondContact O-CB 3.47Å; E126-L129 PolarHBondContact O-N 3.26Å; E126-L129 VanDerWaalsContact O-N 3.13Å; E127-L129 VanDerWaalsContact C-N 3.32Å; L129-N131 VanDerWaalsContact C-N 3.3Å; L129-N131 PolarHBondContact O-N 2.96Å; L129-V132 PolarHBondContact O-N 3.2Å; L129-L133 HydrophobicContact CD1-CD1 4.44Å; L129-L133 HydrophobicContact CD2-CD1 3.98Å; L129-L133 HydrophobicContact CG-CD1 3.83Å; L129-L133 HydrophobicContact CG-CG 4.34Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 PolarHBondContact O-N 2.92Å; L129-V135 HydrophobicContact CD2-CG2 3.49Å; L129-V135 VanDerWaalsContact CD2-CG2 3.49Å; L129-I137 HydrophobicContact CB-CD1 3.87Å; L129-I137 HydrophobicContact CD2-CD1 3.5Å; L129-I137 VanDerWaalsContact CD2-CD1 3.5Å; L129-I137 HydrophobicContact CD2-CG1 3.71Å; L129-I137 HydrophobicContact CG-CD1 4.21Å
130Q95.1Very high93.7Very high105 Ų10565.4 Ų65.449%0.49131%0.311SS..Hα-helixtrans-60.8-41.5178.2-176.2171-13.900111E126 N134 I137E126-Q130 PolarHBondContact O-N 3.14Å; Q130-N134 WeakPolarHBondContact O-CA 3.47Å; Q130-N134 PolarHBondContact O-N 2.94Å; Q130-I137 HydrophobicContact CB-CD1 3.8Å; Q130-I137 HydrophobicContact CB-CG1 4.45Å
131N94.8Very high93.6Very high102 Ų10261.5 Ų61.555%0.54530%0.298SS..Hα-helixtrans-75.7-34.6-177.9-74.2-47.2000114.4K93 E127 I128 L129K93-N131 PolarHBondContact NZ-O 3.12Å; E127-N131 WeakPolarHBondContact O-CB 3.42Å; E127-N131 VanDerWaalsContact O-CG 3.27Å; E127-N131 PolarHBondContact O-N 2.83Å; E127-N131 VanDerWaalsContact O-N 3.12Å; E127-N131 PolarHBondContact O-ND2 2.78Å; I128-N131 PolarHBondContact O-N 3.02Å; L129-N131 VanDerWaalsContact C-N 3.3Å; L129-N131 PolarHBondContact O-N 2.96Å
132V95.3Very high93.4Very high8 Ų861.5 Ų61.55%0.04830%0.298CS..Hα-helixtrans-86.5-48-176.1173.90000111.1L71 K93 R95 I128 L129L71-V132 HydrophobicContact CD2-CB 3.82Å; L71-V132 HydrophobicContact CD2-CG1 3.62Å; L71-V132 HydrophobicContact CD2-CG2 4.02Å; L71-V132 HydrophobicContact CG-CG1 4.33Å; K93-V132 HydrophobicContact CB-CG1 3.99Å; K93-V132 WeakPolarHBondContact O-CG1 3.1Å; R95-V132 HydrophobicContact CB-CG2 3.9Å; R95-V132 HydrophobicContact CG-CG2 4.44Å; I128-V132 HydrophobicContact CG2-CG2 4Å; I128-V132 VanDerWaalsContact O-CB 3.31Å; I128-V132 WeakPolarHBondContact O-CB 3.34Å; I128-V132 VanDerWaalsContact O-CG2 3.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.27Å; I128-V132 PolarHBondContact O-N 3.11Å; L129-V132 PolarHBondContact O-N 3.2Å
133L95.1Very high93.1Very high0 Ų058.4 Ų58.40%028%0.284CS..Hα-helixtrans-85.2-14.1-179.4-57.7-171.6000112.5V64 N66 H68 G69 L71 C110 L129 V135V64-L133 HydrophobicContact CG1-CD1 4.49Å; V64-L133 HydrophobicContact CG2-CD1 4.23Å; N66-L133 PolarHBondContact ND2-O 3.18Å; N66-L133 PolarHBondContact OD1-O 3.48Å; H68-L133 WeakPolarHBondContact CB-O 3.46Å; H68-L133 PolarHBondContact CD2-O 3.09Å; G69-L133 WeakPolarHBondContact O-CD2 3.46Å; L71-L133 HydrophobicContact CD1-CD1 4.28Å; L71-L133 HydrophobicContact CD1-CG 4.33Å; L71-L133 HydrophobicContact CG-CD2 4.38Å; L71-L133 HydrophobicContact CG-CG 4.42Å; C110-L133 HydrophobicContact CB-CD1 4.49Å; L129-L133 HydrophobicContact CD1-CD1 4.44Å; L129-L133 HydrophobicContact CD2-CD1 3.98Å; L129-L133 HydrophobicContact CG-CD1 3.83Å; L129-L133 HydrophobicContact CG-CG 4.34Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 PolarHBondContact O-N 2.92Å; L133-V135 HydrophobicContact CB-CG1 4.24Å; L133-V135 HydrophobicContact CB-CG2 3.86Å; L133-V135 WeakPolarHBondContact O-CG1 3.07Å; L133-V135 PolarHBondContact O-N 2.99Å
134N95.7Very high92.9Very high109 Ų10958.1 Ų58.158%0.58329%0.29SS*.  trans56.846.7-179.5-167.257.8000112.8H68 Q130H68-N134 HydrophobicContact CB-CB 4.17Å; Q130-N134 WeakPolarHBondContact O-CA 3.47Å; Q130-N134 PolarHBondContact O-N 2.94Å
135V95.8Very high92.8Very high5 Ų553.6 Ų53.63%0.0327%0.271CS..  trans-127.8151.6-175.9-63.30000111.7N66 Y113 A115 L129 L133N66-V135 VanDerWaalsContact ND2-CG1 3.33Å; N66-V135 WeakPolarHBondContact ND2-CG1 3.37Å; Y113-V135 CarbonylContact O-C 3.56Å; Y113-V135 VanDerWaalsContact O-CA 3.27Å; Y113-V135 WeakPolarHBondContact O-CA 3.28Å; Y113-V135 WeakPolarHBondContact O-CB 3.45Å; A115-V135 HydrophobicContact CB-CB 4.47Å; A115-V135 HydrophobicContact CB-CG2 3.62Å; L129-V135 HydrophobicContact CD2-CG2 3.49Å; L129-V135 VanDerWaalsContact CD2-CG2 3.49Å; L133-V135 HydrophobicContact CB-CG1 4.24Å; L133-V135 HydrophobicContact CB-CG2 3.86Å; L133-V135 WeakPolarHBondContact O-CG1 3.07Å; L133-V135 PolarHBondContact O-N 2.99Å
136E95.4Very high92.8Very high126 Ų12656.4 Ų56.459%0.58929%0.288SS*.EExtended strand (participates in β ladder)trans-73.5142.1166.9-64.3-171.3173.800110.5Y113 V114 A115 F138Y113-E136 PolarHBondContact O-N 3.33Å; V114-E136 CarbonylContact C-O 3.51Å; V114-E136 WeakPolarHBondContact CA-O 3.5Å; A115-E136 PolarHBondContact N-O 3.13Å; E136-F138 HydrophobicContact CB-CE2 4.13Å; E136-F138 HydrophobicContact CB-CZ 4.32Å
137I95.2Very high92.8Very high22 Ų2257.3 Ų57.311%0.11329%0.293CS..EExtended strand (participates in β ladder)trans-112.5128-173.4-59.2177.6000110.3A115 V117 E126 L129 Q130A115-I137 WeakPolarHBondContact O-CA 3.43Å; V117-I137 HydrophobicContact CB-CG2 4.2Å; V117-I137 HydrophobicContact CG1-CG2 3.62Å; V117-I137 HydrophobicContact CG2-CG2 3.45Å; V117-I137 VanDerWaalsContact CG2-CG2 3.45Å; E126-I137 HydrophobicContact CB-CD1 4.34Å; E126-I137 HydrophobicContact CG-CB 4.24Å; E126-I137 HydrophobicContact CG-CD1 3.5Å; E126-I137 VanDerWaalsContact CG-CD1 3.5Å; E126-I137 HydrophobicContact CG-CG1 4.46Å; E126-I137 HydrophobicContact CG-CG2 3.96Å; E126-I137 WeakPolarHBondContact O-CD1 3.45Å; L129-I137 HydrophobicContact CB-CD1 3.87Å; L129-I137 HydrophobicContact CD2-CD1 3.5Å; L129-I137 VanDerWaalsContact CD2-CD1 3.5Å; L129-I137 HydrophobicContact CD2-CG1 3.71Å; L129-I137 HydrophobicContact CG-CD1 4.21Å; Q130-I137 HydrophobicContact CB-CD1 3.8Å; Q130-I137 HydrophobicContact CB-CG1 4.45Å
138F94.8Very high92.7Very high56 Ų5651.4 Ų51.425%0.24627%0.266CS..EExtended strand (participates in β ladder)trans-121.6123.6172.7-58-74.3000110.9V114 A115 L116 V117 E136 L176V114-F138 HydrophobicContact CG1-CD2 3.36Å; V114-F138 HydrophobicContact CG1-CE2 3.48Å; V114-F138 VanDerWaalsContact CG1-CE2 3.48Å; V114-F138 HydrophobicContact CG2-CE2 4.29Å; A115-F138 PolarHBondContact O-N 3.38Å; L116-F138 WeakPolarHBondContact CA-O 3.38Å; L116-F138 HydrophobicContact CD2-CB 3.92Å; V117-F138 PolarHBondContact N-O 3.19Å; E136-F138 HydrophobicContact CB-CE2 4.13Å; E136-F138 HydrophobicContact CB-CZ 4.32Å; F138-L176 HydrophobicContact CB-CD1 4.45Å; F138-L176 HydrophobicContact CD1-CD2 3.88Å; F138-L176 HydrophobicContact CD2-CB 4.36Å; F138-L176 HydrophobicContact CE1-CD2 3.99Å; F138-L176 HydrophobicContact CG-CD2 4.21Å; F138-L176 HydrophobicContact CZ-CD2 4.41Å
139R92.9Very high92.7Very high99 Ų9950.9 Ų50.937%0.37426%0.263SS..EExtended strand (participates in β ladder)trans-82.5113.1170.2-69.4173.4-178.2-126.5-0.2108.1V117 P119 L121 E126V117-R139 HydrophobicContact CG2-CB 4.41Å; V117-R139 HydrophobicContact CG2-CG 3.63Å; P119-R139 PolarHBondContact O-NH1 2.99Å; L121-R139 PolarHBondContact O-NH1 3.35Å; L121-R139 PolarHBondContact O-NH2 3.43Å; E126-R139 IonicContact OE2-CZ 3.69Å; E126-R139 IonicContact OE2-NE 2.65Å; E126-R139 PolarHBondContact OE2-NE 3.1Å; E126-R139 IonicContact OE2-NH2 2.84Å; E126-R139 PolarHBondContact OE2-NH2 3.49Å
140C87.8Confident92.7Very high19 Ų1951.5 Ų51.513%0.12827%0.267CS..  trans-142.9166.6179.372.70000111.8V117 V148V117-C140 PolarHBondContact O-N 3.01Å; C140-V148 VanDerWaalsContact O-CG1 3.25Å; C140-V148 WeakPolarHBondContact O-CG1 3.32Å
141T89.7Confident92.8Very high69 Ų6948.3 Ų48.342%0.42325%0.251SS..  trans-117.9150.3168.258.70000108.9P119 N145 V146P119-T141 HydrophobicContact CG-CG2 3.65Å; T141-N145 WeakPolarHBondContact CA-O 3.33Å; T141-N145 WeakPolarHBondContact CB-O 3.38Å; T141-V146 HydrophobicContact CG2-CG1 4.13Å
142I88.2Confident92.8Very high2 Ų243.5 Ų43.51%0.0123%0.226CC..BIsolated β-bridgetrans-125118.1-177.3-59.5-71.5000108.5N144 N145 V148 V152 V161 H162 V173I142-N144 PolarHBondContact O-N 3.09Å; I142-N145 PolarHBondContact N-O 3.29Å; I142-N145 VanDerWaalsContact O-CB 3.31Å; I142-N145 WeakPolarHBondContact O-CB 3.3Å; I142-N145 PolarHBondContact O-N 2.94Å; I142-N145 PolarHBondContact O-ND2 2.91Å; I142-V148 HydrophobicContact CG1-CG1 4.08Å; I142-V152 HydrophobicContact CB-CG2 4.35Å; I142-V152 HydrophobicContact CD1-CG2 4.16Å; I142-V152 HydrophobicContact CG1-CG2 3.64Å; I142-V152 HydrophobicContact CG2-CG2 4.3Å; I142-V161 HydrophobicContact CG2-CB 4.29Å; I142-H162 HydrophobicContact CG2-CB 4.03Å; I142-V173 HydrophobicContact CD1-CG2 3.36Å
143A87.4Confident92.8Very high19 Ų1943.7 Ų43.716%0.15723%0.226CC..THydrogen-bonded Turntrans50.843.5-174.200000112.3N145 H162A143-N145 PolarHBondContact O-N 2.73Å; A143-N145 PolarHBondContact O-ND2 3.45Å; A143-N145 VanDerWaalsContact O-ND2 3.14Å; A143-H162 HydrophobicContact CB-CB 4.21Å
144N86.7Confident92.8Very high153 Ų15344.2 Ų44.282%0.81823%0.229SC*.THydrogen-bonded Turntrans61.115-173.8-58.5-43000115.7I142I142-N144 PolarHBondContact O-N 3.09Å
145N90.7Very high92.8Very high47 Ų4739.2 Ų39.225%0.25120%0.203SC..BIsolated β-bridgetrans-98.9137.9172.9-62-73.9000111.2T141 I142 A143 Y151T141-N145 WeakPolarHBondContact CA-O 3.33Å; T141-N145 WeakPolarHBondContact CB-O 3.38Å; I142-N145 PolarHBondContact N-O 3.29Å; I142-N145 VanDerWaalsContact O-CB 3.31Å; I142-N145 WeakPolarHBondContact O-CB 3.3Å; I142-N145 PolarHBondContact O-N 2.94Å; I142-N145 PolarHBondContact O-ND2 2.91Å; A143-N145 PolarHBondContact O-N 2.73Å; A143-N145 PolarHBondContact O-ND2 3.45Å; A143-N145 VanDerWaalsContact O-ND2 3.14Å; N145-Y151 HydrophobicContact CB-CD2 3.43Å; N145-Y151 VanDerWaalsContact CB-CD2 3.43Å; N145-Y151 HydrophobicContact CB-CE2 3.44Å; N145-Y151 VanDerWaalsContact CB-CE2 3.44Å; N145-Y151 HydrophobicContact CB-CG 4.43Å
146V91.4Very high92.7Very high62 Ų6240 Ų4038%0.37621%0.207SC..SBendtrans-85.9-22.1178.7-61.30000113H118 T141 V148H118-V146 PolarHBondContact CD2-O 2.88Å; H118-V146 VanDerWaalsContact NE2-CB 3.29Å; H118-V146 WeakPolarHBondContact NE2-CB 3.33Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.42Å; T141-V146 HydrophobicContact CG2-CG1 4.13Å; V146-V148 VanDerWaalsContact C-N 3.27Å; V146-V148 PolarHBondContact O-N 2.99Å
147L92.9Very high92.6Very high63 Ų6336.7 Ų36.733%0.3319%0.191SC..  trans-80.669.3-179.6-63.1-178.5000111.6N106 V107 G149 T150 Y151N106-L147 CarbonylContact O-C 3.53Å; V107-L147 HydrophobicContact CG1-CD2 3.78Å; L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 3.17Å; L147-T150 WeakPolarHBondContact O-CB 3.44Å; L147-T150 PolarHBondContact O-N 3.27Å; L147-Y151 HydrophobicContact CB-CD2 4.18Å; L147-Y151 HydrophobicContact CB-CE2 4.09Å; L147-Y151 WeakPolarHBondContact O-CD2 3.44Å; L147-Y151 PolarHBondContact O-N 2.93Å
148V93Very high92.6Very high0 Ų035.6 Ų35.60%019%0.186CC..Hα-helixtrans-60.1-34.3-177.2-63.30000112.8V107 L116 C140 I142 V146 T150 Y151 V152V107-V148 WeakPolarHBondContact O-CG2 3.36Å; L116-V148 HydrophobicContact CB-CB 4.31Å; L116-V148 HydrophobicContact CB-CG2 4.16Å; L116-V148 WeakPolarHBondContact O-CG2 3.36Å; C140-V148 VanDerWaalsContact O-CG1 3.25Å; C140-V148 WeakPolarHBondContact O-CG1 3.32Å; I142-V148 HydrophobicContact CG1-CG1 4.08Å; V146-V148 VanDerWaalsContact C-N 3.27Å; V146-V148 PolarHBondContact O-N 2.99Å; V148-T150 VanDerWaalsContact C-N 3.29Å; V148-T150 PolarHBondContact O-N 3.39Å; V148-Y151 PolarHBondContact O-N 3.42Å; V148-V152 VanDerWaalsContact O-CB 3.31Å; V148-V152 WeakPolarHBondContact O-CB 3.27Å; V148-V152 WeakPolarHBondContact O-CG2 3.26Å; V148-V152 PolarHBondContact O-N 3.22Å
149G93.6Very high92.7Very high2 Ų233 Ų332%0.02117%0.174CC..Hα-helixtrans-63.6-31.6174.500000113.6G105 N106 I108 L147 S194G105-G149 CarbonylContact O-C 3.47Å; G105-G149 WeakPolarHBondContact O-CA 3.2Å; N106-G149 CarbonylContact O-C 3.59Å; N106-G149 WeakPolarHBondContact O-CA 3.41Å; N106-G149 PolarHBondContact O-N 2.72Å; I108-G149 WeakPolarHBondContact O-CA 3.33Å; L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 3.17Å; G149-S194 WeakPolarHBondContact O-CB 3.44Å; G149-S194 PolarHBondContact O-OG 3.1Å
150T95.4Very high92.9Very high13 Ų1328.3 Ų28.38%0.0816%0.157CC..Hα-helixtrans-72.9-38.3175.8-57.20000112.4N106 L147 V148 V192 L193 S194N106-T150 PolarHBondContact O-N 3.38Å; N106-T150 PolarHBondContact O-OG1 3.5Å; L147-T150 WeakPolarHBondContact O-CB 3.44Å; L147-T150 PolarHBondContact O-N 3.27Å; V148-T150 VanDerWaalsContact C-N 3.29Å; V148-T150 PolarHBondContact O-N 3.39Å; T150-V192 HydrophobicContact CG2-CB 4.46Å; T150-V192 HydrophobicContact CG2-CG1 3.54Å; T150-L193 PolarHBondContact O-N 2.91Å; T150-L193 VanDerWaalsContact O-N 3.16Å; T150-S194 VanDerWaalsContact CA-OG 3.28Å; T150-S194 WeakPolarHBondContact CA-OG 3.48Å; T150-S194 PolarHBondContact O-N 2.82Å; T150-S194 PolarHBondContact O-OG 3.11Å
151Y95.9Very high93.3Very high39 Ų3927.5 Ų27.515%0.15315%0.151CC..Hα-helixtrans-108.7-1.7-164.8-65.1-56.9000114.8N145 L147 V148 V161 H162 N191 L193N145-Y151 HydrophobicContact CB-CD2 3.43Å; N145-Y151 VanDerWaalsContact CB-CD2 3.43Å; N145-Y151 HydrophobicContact CB-CE2 3.44Å; N145-Y151 VanDerWaalsContact CB-CE2 3.44Å; N145-Y151 HydrophobicContact CB-CG 4.43Å; L147-Y151 HydrophobicContact CB-CD2 4.18Å; L147-Y151 HydrophobicContact CB-CE2 4.09Å; L147-Y151 WeakPolarHBondContact O-CD2 3.44Å; L147-Y151 PolarHBondContact O-N 2.93Å; V148-Y151 PolarHBondContact O-N 3.42Å; Y151-V161 CarbonylContact O-C 3.56Å; Y151-V161 WeakPolarHBondContact O-CA 3.23Å; Y151-H162 AromaticContact CD1-CD2 3.47Å; Y151-H162 VanDerWaalsContact CD1-CD2 3.47Å; Y151-H162 WeakPolarHBondContact CD1-CD2 3.34Å; Y151-H162 AromaticContact CE1-CD2 3.77Å; Y151-H162 PolarHBondContact O-N 2.83Å; Y151-N191 WeakPolarHBondContact CD1-O 3.01Å; Y151-L193 WeakPolarHBondContact O-CD1 3.49Å
152V95.5Very high93.6Very high1 Ų124.5 Ų24.51%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-130.5127175.8-173.30000109.2S109 L116 I142 V148 M154 L160 V161S109-V152 WeakPolarHBondContact CB-O 3.12Å; S109-V152 PolarHBondContact OG-O 3.22Å; L116-V152 HydrophobicContact CD1-CG1 4.24Å; L116-V152 HydrophobicContact CD1-CG2 4.4Å; I142-V152 HydrophobicContact CB-CG2 4.35Å; I142-V152 HydrophobicContact CD1-CG2 4.16Å; I142-V152 HydrophobicContact CG1-CG2 3.64Å; I142-V152 HydrophobicContact CG2-CG2 4.3Å; V148-V152 VanDerWaalsContact O-CB 3.31Å; V148-V152 WeakPolarHBondContact O-CB 3.27Å; V148-V152 WeakPolarHBondContact O-CG2 3.26Å; V148-V152 PolarHBondContact O-N 3.22Å; V152-M154 HydrophobicContact CB-CE 4.49Å; V152-M154 HydrophobicContact CG1-CE 3.6Å; V152-L160 WeakPolarHBondContact CA-O 3.15Å; V152-V161 HydrophobicContact CG1-CG1 4.07Å; V152-V161 HydrophobicContact CG2-CG1 4.06Å
153V96.2Very high93.9Very high11 Ų1126.5 Ų26.57%0.06715%0.145CC..EExtended strand (participates in β ladder)trans-117.4124.7168.5176.60000107.4A159 L160 L193 S194 V197 V199 F222V153-A159 CarbonylContact O-C 3.07Å; V153-A159 WeakPolarHBondContact O-CA 3.38Å; V153-L160 PolarHBondContact N-O 3.06Å; V153-L160 PolarHBondContact O-N 3.39Å; V153-L193 HydrophobicContact CG2-CB 3.76Å; V153-S194 VanDerWaalsContact CG2-CA 3.44Å; V153-V197 HydrophobicContact CB-CG1 4.24Å; V153-V197 HydrophobicContact CG1-CG1 4.1Å; V153-V197 HydrophobicContact CG2-CG1 3.92Å; V153-V199 HydrophobicContact CG1-CB 4.44Å; V153-V199 HydrophobicContact CG1-CG1 3.43Å; V153-V199 VanDerWaalsContact CG1-CG1 3.43Å; V153-F222 HydrophobicContact CG1-CZ 4.09Å; V153-F222 WeakPolarHBondContact O-CZ 3.46Å
154M94.8Very high94.2Very high11 Ų1131.7 Ų31.75%0.05417%0.171CC..EExtended strand (participates in β ladder)trans-131.4154-175.965.8-178.271.600112S109 C110 N111 L116 V152 A159 L177S109-M154 WeakPolarHBondContact OG-CE 3.33Å; C110-M154 VanDerWaalsContact C-SD 3.54Å; N111-M154 HydrophobicContact CB-CG 4.07Å; N111-M154 HydrophobicContact CB-SD 4.2Å; L116-M154 HydrophobicContact CB-CE 4.2Å; L116-M154 HydrophobicContact CD1-CE 3.61Å; L116-M154 HydrophobicContact CG-CE 3.66Å; V152-M154 HydrophobicContact CB-CE 4.49Å; V152-M154 HydrophobicContact CG1-CE 3.6Å; M154-A159 HydrophobicContact CB-CB 3.7Å; M154-L177 HydrophobicContact CE-CD1 4.02Å; M154-L177 HydrophobicContact CE-CD2 3.99Å; M154-L177 HydrophobicContact SD-CD1 4.42Å; M154-L177 HydrophobicContact SD-CD2 3.99Å
155S94.6Very high94.4Very high5 Ų524.8 Ų24.84%0.03513%0.134CC..  trans-130.7-174167.568.20000108N111 Q157 G158 D201 F222N111-S155 PolarHBondContact ND2-O 2.9Å; S155-Q157 PolarHBondContact O-N 3.05Å; S155-Q157 PolarHBondContact OG-N 3.07Å; S155-Q157 VanDerWaalsContact OG-N 3.1Å; S155-G158 PolarHBondContact N-O 2.87Å; S155-G158 PolarHBondContact OG-N 3.02Å; S155-G158 PolarHBondContact OG-O 2.72Å; S155-D201 WeakPolarHBondContact CB-OD1 3.42Å; S155-F222 WeakPolarHBondContact OG-CD1 3.19Å
156N94.4Very high94.5Very high22 Ų2224.7 Ų24.712%0.11814%0.137CC..SBendtrans-75.4-10.5172.6-58.5-33.9000112.5N21 N111 D112 Y113 V179 D201N21-N156 PolarHBondContact ND2-ND2 3.1Å; N111-N156 WeakPolarHBondContact CB-OD1 3Å; D112-N156 WeakPolarHBondContact CB-OD1 3.46Å; D112-N156 PolarHBondContact N-OD1 3.29Å; D112-N156 PolarHBondContact OD2-ND2 2.98Å; Y113-N156 WeakPolarHBondContact CD2-OD1 3.49Å; Y113-N156 HydrophobicContact CE2-CB 4.13Å; N156-V179 VanDerWaalsContact O-CG1 3.28Å; N156-V179 WeakPolarHBondContact O-CG1 3.49Å; N156-D201 WeakPolarHBondContact CB-OD1 3.36Å; N156-D201 WeakPolarHBondContact CB-OD2 3.39Å; N156-D201 PolarHBondContact N-OD1 2.99Å; N156-D201 PolarHBondContact ND2-OD2 3.27Å
157Q93.3Very high94.5Very high55 Ų5527.8 Ų27.826%0.25715%0.15SC..SBendtrans-99.4-22.7-175.7-63.4-56.4-34.700114.4S155 P180 D201 K223S155-Q157 PolarHBondContact O-N 3.05Å; S155-Q157 PolarHBondContact OG-N 3.07Å; S155-Q157 VanDerWaalsContact OG-N 3.1Å; Q157-P180 WeakPolarHBondContact O-CD 3.34Å; Q157-P180 WeakPolarHBondContact O-CG 3.4Å; Q157-D201 HydrophobicContact CG-CB 4.46Å; Q157-K223 HydrophobicContact CB-CD 4.34Å; Q157-K223 HydrophobicContact CB-CG 4.46Å
158G95.1Very high94.5Very high0 Ų032.4 Ų32.40%017%0.17CC..  trans178172.4-174.200000112S155 P180 F222S155-G158 PolarHBondContact N-O 2.87Å; S155-G158 PolarHBondContact OG-N 3.02Å; S155-G158 PolarHBondContact OG-O 2.72Å; G158-P180 CarbonylContact C-O 3.43Å; G158-P180 VanDerWaalsContact CA-O 3.25Å; G158-P180 WeakPolarHBondContact CA-O 3.18Å; G158-F222 WeakPolarHBondContact O-CD1 3.37Å; G158-F222 WeakPolarHBondContact O-CE1 3.21Å
159A96.9Very high94.4Very high0 Ų034.7 Ų34.70%018%0.182CC..EExtended strand (participates in β ladder)trans-138.1143.7173.500000112.5V153 M154 L177 V179 P180 V181 V182V153-A159 CarbonylContact O-C 3.07Å; V153-A159 WeakPolarHBondContact O-CA 3.38Å; M154-A159 HydrophobicContact CB-CB 3.7Å; A159-L177 HydrophobicContact CB-CD1 3.76Å; A159-V179 HydrophobicContact CB-CG2 4.47Å; A159-P180 PolarHBondContact N-O 2.92Å; A159-V181 HydrophobicContact CB-CG2 4.25Å; A159-V181 WeakPolarHBondContact O-CA 3.45Å; A159-V182 PolarHBondContact O-N 2.72Å
160L97.1Very high94.3Very high1 Ų136.1 Ų36.11%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-105.8126.3173.2-17072.1000108.4V152 V153 V182 V186 L193 V217 I218 F222V152-L160 WeakPolarHBondContact CA-O 3.15Å; V153-L160 PolarHBondContact N-O 3.06Å; V153-L160 PolarHBondContact O-N 3.39Å; L160-V182 WeakPolarHBondContact CA-O 3.38Å; L160-V182 HydrophobicContact CD1-CG1 3.57Å; L160-V186 HydrophobicContact CD2-CG1 4.36Å; L160-L193 HydrophobicContact CB-CD1 4.13Å; L160-L193 HydrophobicContact CD2-CD1 3.95Å; L160-L193 HydrophobicContact CD2-CD2 3.89Å; L160-L193 HydrophobicContact CD2-CG 4.45Å; L160-L193 HydrophobicContact CG-CD1 3.68Å; L160-L193 HydrophobicContact CG-CD2 4.38Å; L160-L193 VanDerWaalsContact O-CD1 3.28Å; L160-L193 WeakPolarHBondContact O-CD1 3.17Å; L160-V217 HydrophobicContact CD1-CG1 4.2Å; L160-I218 HydrophobicContact CD2-CG1 4.17Å; L160-F222 HydrophobicContact CB-CE2 4.15Å; L160-F222 HydrophobicContact CB-CZ 3.87Å
161V96.6Very high94.3Very high2 Ų240.1 Ų40.11%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-119.6165.7-178-630000111.9I142 Y151 V152 S165 Q170 V173 V181 V182 A183 G184 L193I142-V161 HydrophobicContact CG2-CB 4.29Å; Y151-V161 CarbonylContact O-C 3.56Å; Y151-V161 WeakPolarHBondContact O-CA 3.23Å; V152-V161 HydrophobicContact CG1-CG1 4.07Å; V152-V161 HydrophobicContact CG2-CG1 4.06Å; V161-S165 VanDerWaalsContact CG2-OG 3.27Å; V161-S165 WeakPolarHBondContact CG2-OG 3.35Å; V161-Q170 HydrophobicContact CG2-CG 3.92Å; V161-V173 HydrophobicContact CG1-CG1 4.47Å; V161-V181 HydrophobicContact CB-CG1 4.25Å; V161-V181 HydrophobicContact CG1-CG1 3.56Å; V161-V181 HydrophobicContact CG2-CG1 3.62Å; V161-V182 WeakPolarHBondContact CG2-O 3.41Å; V161-V182 PolarHBondContact N-O 3.38Å; V161-A183 HydrophobicContact CG2-CB 4.37Å; V161-A183 WeakPolarHBondContact O-CA 3.28Å; V161-G184 PolarHBondContact O-N 3.38Å; V161-G184 VanDerWaalsContact O-N 3.09Å; V161-L193 VanDerWaalsContact C-CD1 3.41Å; V161-L193 WeakPolarHBondContact O-CD1 3.45Å
162H95.7Very high94.1Very high7 Ų744.1 Ų44.13%0.03223%0.23CC..  trans-45.7136.7179.2-172.3-88.9000112.6I142 A143 Y151 N164 S165 N191I142-H162 HydrophobicContact CG2-CB 4.03Å; A143-H162 HydrophobicContact CB-CB 4.21Å; Y151-H162 AromaticContact CD1-CD2 3.47Å; Y151-H162 VanDerWaalsContact CD1-CD2 3.47Å; Y151-H162 WeakPolarHBondContact CD1-CD2 3.34Å; Y151-H162 AromaticContact CE1-CD2 3.77Å; Y151-H162 PolarHBondContact O-N 2.83Å; H162-N164 PolarHBondContact ND1-N 2.81Å; H162-N164 PolarHBondContact O-N 2.86Å; H162-N164 VanDerWaalsContact O-N 3.08Å; H162-S165 VanDerWaalsContact O-CB 3.3Å; H162-S165 WeakPolarHBondContact O-CB 3.42Å; H162-S165 PolarHBondContact O-N 2.82Å; H162-S165 PolarHBondContact O-OG 2.88Å; H162-N191 WeakPolarHBondContact NE2-CB 3.35Å; H162-N191 PolarHBondContact NE2-ND2 2.78Å
163P93.6Very high93.9Very high43 Ų4344.4 Ų44.428%0.27923%0.231SC..THydrogen-bonded Turntrans-60.7-27.3-173.525-36.5000114.3S165 G184 T185 N191P163-S165 VanDerWaalsContact C-N 3.34Å; P163-G184 VanDerWaalsContact CD-O 3.29Å; P163-G184 WeakPolarHBondContact CD-O 3.46Å; P163-T185 HydrophobicContact CB-CG2 3.78Å; P163-T185 HydrophobicContact CG-CG2 3.81Å; P163-N191 HydrophobicContact CG-CB 3.84Å
164N93.8Very high93.8Very high129 Ų12945.5 Ų45.569%0.6924%0.239SC*.THydrogen-bonded Turntrans-89.38.4177.5-58.2-13.1000113.7H162 S166H162-N164 PolarHBondContact ND1-N 2.81Å; H162-N164 PolarHBondContact O-N 2.86Å; H162-N164 VanDerWaalsContact O-N 3.08Å; N164-S166 PolarHBondContact O-N 3.09Å
165S91.6Very high93.8Very high8 Ų849.5 Ų49.56%0.05626%0.264CS..  trans-63.7130.5174.260.90000109.9V161 H162 P163 Q170 A183V161-S165 VanDerWaalsContact CG2-OG 3.27Å; V161-S165 WeakPolarHBondContact CG2-OG 3.35Å; H162-S165 VanDerWaalsContact O-CB 3.3Å; H162-S165 WeakPolarHBondContact O-CB 3.42Å; H162-S165 PolarHBondContact O-N 2.82Å; H162-S165 PolarHBondContact O-OG 2.88Å; P163-S165 VanDerWaalsContact C-N 3.34Å; S165-Q170 PolarHBondContact O-NE2 2.88Å; S165-Q170 WeakPolarHBondContact OG-CG 3.41Å; S165-Q170 PolarHBondContact OG-NE2 2.77Å; S165-A183 WeakPolarHBondContact OG-CB 3.15Å
166S92.3Very high93.6Very high44 Ų4451.5 Ų51.531%0.30828%0.275SS..  trans-64.4162.817887.20000110.7N164 E168 D169 Q170N164-S166 PolarHBondContact O-N 3.09Å; S166-E168 PolarHBondContact O-N 3.11Å; S166-E168 PolarHBondContact OG-N 3.42Å; S166-D169 PolarHBondContact N-OD2 3.06Å; S166-D169 PolarHBondContact O-N 2.88Å; S166-D169 PolarHBondContact OG-N 2.91Å; S166-D169 PolarHBondContact OG-OD1 3.09Å; S166-Q170 WeakPolarHBondContact O-CG 3.41Å; S166-Q170 PolarHBondContact O-N 3.35Å; S166-Q170 PolarHBondContact O-NE2 3.19Å
167I93Very high93.5Very high127 Ų12750.7 Ų50.765%0.65127%0.27SS*.Hα-helixtrans-64.9-32.6174.5-64.7165.8000110.1Q170 N171I167-Q170 PolarHBondContact O-N 3.08Å; I167-N171 VanDerWaalsContact O-CG 3.23Å; I167-N171 PolarHBondContact O-N 2.93Å; I167-N171 PolarHBondContact O-ND2 3.34Å; I167-N171 VanDerWaalsContact O-ND2 3.14Å
168E91.8Very high93.5Very high160 Ų16055.6 Ų55.675%0.74829%0.293SS*.Hα-helixtrans-65.3-48.3176.1-64171.2-174.600110.3S166 Q170 N171 E172S166-E168 PolarHBondContact O-N 3.11Å; S166-E168 PolarHBondContact OG-N 3.42Å; E168-Q170 VanDerWaalsContact C-N 3.3Å; E168-Q170 PolarHBondContact O-N 3.06Å; E168-N171 PolarHBondContact O-N 2.75Å; E168-N171 VanDerWaalsContact O-N 3.16Å; E168-E172 PolarHBondContact O-N 3.32Å
169D90.6Very high93.5Very high48 Ų4856.4 Ų56.426%0.25730%0.298SS..Hα-helixtrans-58.4-43.4175.7-57.66.8000110.7S166 N171 E172 V173S166-D169 PolarHBondContact N-OD2 3.06Å; S166-D169 PolarHBondContact O-N 2.88Å; S166-D169 PolarHBondContact OG-N 2.91Å; S166-D169 PolarHBondContact OG-OD1 3.09Å; D169-N171 VanDerWaalsContact C-N 3.35Å; D169-N171 PolarHBondContact O-N 2.65Å; D169-E172 PolarHBondContact O-N 3.17Å; D169-V173 WeakPolarHBondContact O-CB 3.38Å; D169-V173 WeakPolarHBondContact O-CG2 3.3Å; D169-V173 PolarHBondContact O-N 2.92Å
170Q93Very high93.4Very high33 Ų3359.2 Ų59.215%0.15432%0.316CS..Hα-helixtrans-62.4-41.5178.5-75.3173.674.200111.9V161 S165 S166 I167 E168 S174 V181 A183V161-Q170 HydrophobicContact CG2-CG 3.92Å; S165-Q170 PolarHBondContact O-NE2 2.88Å; S165-Q170 WeakPolarHBondContact OG-CG 3.41Å; S165-Q170 PolarHBondContact OG-NE2 2.77Å; S166-Q170 WeakPolarHBondContact O-CG 3.41Å; S166-Q170 PolarHBondContact O-N 3.35Å; S166-Q170 PolarHBondContact O-NE2 3.19Å; I167-Q170 PolarHBondContact O-N 3.08Å; E168-Q170 VanDerWaalsContact C-N 3.3Å; E168-Q170 PolarHBondContact O-N 3.06Å; Q170-S174 WeakPolarHBondContact O-CB 3.25Å; Q170-S174 PolarHBondContact O-N 2.9Å; Q170-V181 HydrophobicContact CB-CG1 4.32Å; Q170-V181 HydrophobicContact CG-CG1 4.23Å; Q170-A183 VanDerWaalsContact OE1-N 3.09Å
171N94.3Very high93.3Very high96 Ų9660.1 Ų60.151%0.51332%0.322SS..Hα-helixtrans-69.2-39177.7-71.1-30.3000112.1I167 E168 D169 S174 T175I167-N171 VanDerWaalsContact O-CG 3.23Å; I167-N171 PolarHBondContact O-N 2.93Å; I167-N171 PolarHBondContact O-ND2 3.34Å; I167-N171 VanDerWaalsContact O-ND2 3.14Å; E168-N171 PolarHBondContact O-N 2.75Å; E168-N171 VanDerWaalsContact O-N 3.16Å; D169-N171 VanDerWaalsContact C-N 3.35Å; D169-N171 PolarHBondContact O-N 2.65Å; N171-S174 PolarHBondContact O-N 2.94Å; N171-T175 WeakPolarHBondContact O-CB 3.5Å; N171-T175 PolarHBondContact O-N 3.42Å; N171-T175 PolarHBondContact O-OG1 2.91Å
172E91.8Very high93.3Very high124 Ų12462.1 Ų62.158%0.57933%0.334SS*.Hα-helixtrans-61.4-51.9174.8-175.6177.7178.400110.5E168 D169 S174 T175 L176E168-E172 PolarHBondContact O-N 3.32Å; D169-E172 PolarHBondContact O-N 3.17Å; E172-S174 VanDerWaalsContact C-N 3.3Å; E172-S174 PolarHBondContact O-N 2.78Å; E172-T175 WeakPolarHBondContact O-CB 3.33Å; E172-T175 PolarHBondContact O-N 2.91Å; E172-T175 VanDerWaalsContact O-N 3.1Å; E172-L176 HydrophobicContact CG-CD1 4.5Å; E172-L176 WeakPolarHBondContact O-CG 3.34Å; E172-L176 PolarHBondContact O-N 3.01Å
173V92.3Very high93.3Very high6 Ų663.1 Ų63.14%0.03634%0.343CS..Hα-helixtrans-62.5-38.7178.1177.50000111.1L116 I142 V161 D169 T175 L176 L177 V181L116-V173 HydrophobicContact CD1-CG1 4.14Å; I142-V173 HydrophobicContact CD1-CG2 3.36Å; V161-V173 HydrophobicContact CG1-CG1 4.47Å; D169-V173 WeakPolarHBondContact O-CB 3.38Å; D169-V173 WeakPolarHBondContact O-CG2 3.3Å; D169-V173 PolarHBondContact O-N 2.92Å; V173-T175 VanDerWaalsContact C-N 3.29Å; V173-T175 PolarHBondContact O-N 2.94Å; V173-L176 PolarHBondContact O-N 3.1Å; V173-L177 HydrophobicContact CG1-CD1 3.59Å; V173-L177 HydrophobicContact CG1-CG 4Å; V173-L177 WeakPolarHBondContact O-CB 3.25Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.34Å; V173-L177 PolarHBondContact O-N 3.49Å; V173-V181 HydrophobicContact CB-CG2 4.38Å; V173-V181 HydrophobicContact CG1-CG1 4.47Å; V173-V181 HydrophobicContact CG1-CG2 3.99Å
174S93.7Very high93.4Very high34 Ų3461.7 Ų61.724%0.23834%0.336CS..Hα-helixtrans-63.9-36.3176.3-173.30000112.1Q170 N171 E172 Q178 V179 V181Q170-S174 WeakPolarHBondContact O-CB 3.25Å; Q170-S174 PolarHBondContact O-N 2.9Å; N171-S174 PolarHBondContact O-N 2.94Å; E172-S174 VanDerWaalsContact C-N 3.3Å; E172-S174 PolarHBondContact O-N 2.78Å; S174-Q178 WeakPolarHBondContact O-CA 3.14Å; S174-Q178 PolarHBondContact O-N 2.89Å; S174-V179 WeakPolarHBondContact CA-O 3.4Å; S174-V179 PolarHBondContact OG-O 2.94Å; S174-V181 VanDerWaalsContact CA-CG2 3.47Å
175T93.6Very high93.5Very high95 Ų9557.3 Ų57.358%0.58331%0.314SS*.Hα-helixtrans-70.1-39.1175-54.80000111.4N171 E172 V173 Q178N171-T175 WeakPolarHBondContact O-CB 3.5Å; N171-T175 PolarHBondContact O-N 3.42Å; N171-T175 PolarHBondContact O-OG1 2.91Å; E172-T175 WeakPolarHBondContact O-CB 3.33Å; E172-T175 PolarHBondContact O-N 2.91Å; E172-T175 VanDerWaalsContact O-N 3.1Å; V173-T175 VanDerWaalsContact C-N 3.29Å; V173-T175 PolarHBondContact O-N 2.94Å; T175-Q178 PolarHBondContact O-NE2 3.08Å
176L91.3Very high93.7Very high48 Ų4856.9 Ų56.925%0.25131%0.311SS..Hα-helixtrans-67.3-46.1176.6-67.3174.9000112F138 E172 V173F138-L176 HydrophobicContact CB-CD1 4.45Å; F138-L176 HydrophobicContact CD1-CD2 3.88Å; F138-L176 HydrophobicContact CD2-CB 4.36Å; F138-L176 HydrophobicContact CE1-CD2 3.99Å; F138-L176 HydrophobicContact CG-CD2 4.21Å; F138-L176 HydrophobicContact CZ-CD2 4.41Å; E172-L176 HydrophobicContact CG-CD1 4.5Å; E172-L176 WeakPolarHBondContact O-CG 3.34Å; E172-L176 PolarHBondContact O-N 3.01Å; V173-L176 PolarHBondContact O-N 3.1Å
177L92.2Very high93.9Very high5 Ų555 Ų553%0.02630%0.298CS..Hα-helixtrans-82-14.1-176.1-59.3-179.9000113.5V114 L116 M154 A159 V173 V179 V181V114-L177 HydrophobicContact CB-CD2 4.06Å; V114-L177 HydrophobicContact CG1-CD2 3.6Å; L116-L177 HydrophobicContact CD1-CD1 4.33Å; L116-L177 HydrophobicContact CD1-CD2 4.19Å; L116-L177 HydrophobicContact CD2-CD2 3.89Å; L116-L177 HydrophobicContact CG-CD2 3.92Å; M154-L177 HydrophobicContact CE-CD1 4.02Å; M154-L177 HydrophobicContact CE-CD2 3.99Å; M154-L177 HydrophobicContact SD-CD1 4.42Å; M154-L177 HydrophobicContact SD-CD2 3.99Å; A159-L177 HydrophobicContact CB-CD1 3.76Å; V173-L177 HydrophobicContact CG1-CD1 3.59Å; V173-L177 HydrophobicContact CG1-CG 4Å; V173-L177 WeakPolarHBondContact O-CB 3.25Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.34Å; V173-L177 PolarHBondContact O-N 3.49Å; L177-V179 HydrophobicContact CB-CG2 3.65Å; L177-V179 HydrophobicContact CD1-CG2 4.31Å; L177-V179 PolarHBondContact O-N 2.8Å; L177-V179 VanDerWaalsContact O-N 3.17Å; L177-V181 HydrophobicContact CD1-CG2 4.43Å
178Q92.8Very high94Very high158 Ų15857.7 Ų57.774%0.73830%0.3SS*.THydrogen-bonded Turntrans56.126-174.1-61.8-70.7-46.100113.7S174 T175S174-Q178 WeakPolarHBondContact O-CA 3.14Å; S174-Q178 PolarHBondContact O-N 2.89Å; T175-Q178 PolarHBondContact O-NE2 3.08Å
179V94.8Very high94.1Very high16 Ų1652.3 Ų52.310%0.09729%0.287CS..SBendtrans-132.8155.8178.2-61.60000110N156 A159 S174 L177N156-V179 VanDerWaalsContact O-CG1 3.28Å; N156-V179 WeakPolarHBondContact O-CG1 3.49Å; A159-V179 HydrophobicContact CB-CG2 4.47Å; S174-V179 WeakPolarHBondContact CA-O 3.4Å; S174-V179 PolarHBondContact OG-O 2.94Å; L177-V179 HydrophobicContact CB-CG2 3.65Å; L177-V179 HydrophobicContact CD1-CG2 4.31Å; L177-V179 PolarHBondContact O-N 2.8Å; L177-V179 VanDerWaalsContact O-N 3.17Å
180P95.6Very high94.4Very high59 Ų5951.6 Ų51.638%0.38329%0.286SS..  trans-61.913917526.8-36.4000111Q157 G158 A159 I221Q157-P180 WeakPolarHBondContact O-CD 3.34Å; Q157-P180 WeakPolarHBondContact O-CG 3.4Å; G158-P180 CarbonylContact C-O 3.43Å; G158-P180 VanDerWaalsContact CA-O 3.25Å; G158-P180 WeakPolarHBondContact CA-O 3.18Å; A159-P180 PolarHBondContact N-O 2.92Å; P180-I221 HydrophobicContact CB-CD1 3.82Å; P180-I221 HydrophobicContact CG-CD1 4.14Å; P180-I221 WeakPolarHBondContact O-CD1 3.43Å
181V96Very high94.4Very high21 Ų2152.9 Ų52.913%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-120.1138179.2178.50000109.2A159 V161 Q170 V173 S174 L177A159-V181 HydrophobicContact CB-CG2 4.25Å; A159-V181 WeakPolarHBondContact O-CA 3.45Å; V161-V181 HydrophobicContact CB-CG1 4.25Å; V161-V181 HydrophobicContact CG1-CG1 3.56Å; V161-V181 HydrophobicContact CG2-CG1 3.62Å; Q170-V181 HydrophobicContact CB-CG1 4.32Å; Q170-V181 HydrophobicContact CG-CG1 4.23Å; V173-V181 HydrophobicContact CB-CG2 4.38Å; V173-V181 HydrophobicContact CG1-CG1 4.47Å; V173-V181 HydrophobicContact CG1-CG2 3.99Å; S174-V181 VanDerWaalsContact CA-CG2 3.47Å; L177-V181 HydrophobicContact CD1-CG2 4.43Å
182V96.1Very high94.4Very high44 Ų4450.3 Ų50.327%0.26728%0.282SS..EExtended strand (participates in β ladder)trans-136.4142.3172.478.70000111.2A159 L160 V161 V217 I221A159-V182 PolarHBondContact O-N 2.72Å; L160-V182 WeakPolarHBondContact CA-O 3.38Å; L160-V182 HydrophobicContact CD1-CG1 3.57Å; V161-V182 WeakPolarHBondContact CG2-O 3.41Å; V161-V182 PolarHBondContact N-O 3.38Å; V182-V217 HydrophobicContact CG1-CG1 3.76Å; V182-I221 HydrophobicContact CB-CD1 3.96Å; V182-I221 HydrophobicContact CB-CG1 4.24Å; V182-I221 HydrophobicContact CG1-CB 3.81Å; V182-I221 HydrophobicContact CG1-CD1 3.95Å; V182-I221 HydrophobicContact CG1-CG1 3.68Å; V182-I221 HydrophobicContact CG1-CG2 4.13Å
183A95.6Very high94.6Very high27 Ų2744.4 Ų44.422%0.22325%0.254CS..EExtended strand (participates in β ladder)trans-75.6137.4168.400000110.9V161 S165 Q170V161-A183 HydrophobicContact CG2-CB 4.37Å; V161-A183 WeakPolarHBondContact O-CA 3.28Å; S165-A183 WeakPolarHBondContact OG-CB 3.15Å; Q170-A183 VanDerWaalsContact OE1-N 3.09Å
184G94.9Very high94.7Very high13 Ų1344.8 Ų44.813%0.13426%0.257CS..  trans-165.7-173.7176.900000114.1V161 P163V161-G184 PolarHBondContact O-N 3.38Å; V161-G184 VanDerWaalsContact O-N 3.09Å; P163-G184 VanDerWaalsContact CD-O 3.29Å; P163-G184 WeakPolarHBondContact CD-O 3.46Å
185T96.7Very high94.8Very high37 Ų3743.4 Ų43.423%0.22725%0.248CC..  trans-134165.9-179.959.40000110.7P163 S190 E214P163-T185 HydrophobicContact CB-CG2 3.78Å; P163-T185 HydrophobicContact CG-CG2 3.81Å; T185-S190 WeakPolarHBondContact CA-O 3.19Å; T185-S190 WeakPolarHBondContact CB-O 3.47Å; T185-E214 WeakPolarHBondContact CB-OE1 3.43Å; T185-E214 VanDerWaalsContact O-CG 3.27Å; T185-E214 WeakPolarHBondContact O-CG 3.4Å; T185-E214 PolarHBondContact OG1-OE1 3.16Å
186V96.2Very high94.8Very high0 Ų039 Ų390%022%0.221CC..BIsolated β-bridgetrans-131.4164.5174.5-66.90000109.6L160 R188 G189 S190 L193 V197 E214 I218L160-V186 HydrophobicContact CD2-CG1 4.36Å; V186-R188 VanDerWaalsContact C-N 3.32Å; V186-R188 PolarHBondContact O-N 3.01Å; V186-G189 PolarHBondContact O-N 2.74Å; V186-S190 PolarHBondContact N-O 3.05Å; V186-S190 WeakPolarHBondContact O-CA 3.32Å; V186-S190 WeakPolarHBondContact O-CB 3.45Å; V186-S190 PolarHBondContact O-N 3.29Å; V186-L193 HydrophobicContact CG1-CD2 4.08Å; V186-L193 HydrophobicContact CG2-CD2 4.17Å; V186-V197 HydrophobicContact CG1-CB 4.14Å; V186-V197 HydrophobicContact CG1-CG1 3.85Å; V186-E214 PolarHBondContact N-OE1 3.24Å; V186-I218 HydrophobicContact CG1-CD1 4.1Å
187N96Very high95.1Very high4 Ų436.8 Ų36.82%0.02121%0.209CC..THydrogen-bonded Turntrans55.438.4169.8-75.3-32.8000115.9K11 G196 G207 D209 T210K11-N187 HydrophobicContact CD-CB 3.84Å; K11-N187 HydrophobicContact CG-CB 4.31Å; K11-N187 PolarHBondContact NZ-O 3.06Å; K11-N187 VanDerWaalsContact NZ-O 3.1Å; K11-N187 PolarHBondContact O-ND2 3.24Å; N187-G196 VanDerWaalsContact ND2-CA 3.27Å; N187-G196 WeakPolarHBondContact ND2-CA 3.48Å; N187-G207 VanDerWaalsContact OD1-C 3.25Å; N187-G207 WeakPolarHBondContact OD1-CA 3.25Å; N187-G207 PolarHBondContact OD1-O 3.18Å; N187-D209 HydrophobicContact CB-CB 4.28Å; N187-T210 PolarHBondContact N-OG1 2.87Å; N187-T210 PolarHBondContact OD1-OG1 3.25Å
188R95.3Very high95.2Very high183 Ų18336.9 Ų36.969%0.69121%0.211SC*.THydrogen-bonded Turntrans68.155.5-176-52.5-177.7178.6-171.10.7113.6V186 D209 T211 E214V186-R188 VanDerWaalsContact C-N 3.32Å; V186-R188 PolarHBondContact O-N 3.01Å; R188-D209 HydrophobicContact CG-CB 4.16Å; R188-D209 WeakPolarHBondContact CG-O 3.29Å; R188-T211 HydrophobicContact CB-CG2 4.31Å; R188-T211 HydrophobicContact CG-CG2 3.72Å; R188-E214 PolarHBondContact N-OE1 2.78Å; R188-E214 PolarHBondContact N-OE2 3.13Å; R188-E214 VanDerWaalsContact N-OE2 3.13Å
189G93.8Very high95.3Very high47 Ų4729.9 Ų29.949%0.48518%0.179SC..THydrogen-bonded Turntrans9210.4172.900000114.9V186 N191 E214V186-G189 PolarHBondContact O-N 2.74Å; G189-N191 PolarHBondContact O-N 3.35Å; G189-E214 PolarHBondContact N-OE1 3.06Å
190S96.1Very high95.3Very high34 Ų3429.3 Ų29.324%0.23818%0.175CC..BIsolated β-bridgetrans-66.3132.5170.9-173.10000110.1T185 V186 V192T185-S190 WeakPolarHBondContact CA-O 3.19Å; T185-S190 WeakPolarHBondContact CB-O 3.47Å; V186-S190 PolarHBondContact N-O 3.05Å; V186-S190 WeakPolarHBondContact O-CA 3.32Å; V186-S190 WeakPolarHBondContact O-CB 3.45Å; V186-S190 PolarHBondContact O-N 3.29Å; S190-V192 PolarHBondContact OG-N 3.33Å
191N93.2Very high95.1Very high60 Ų6027.3 Ų27.332%0.32116%0.161SC..SBendtrans-87.9-9173.963.6-25.9000113.2Y151 H162 P163 G189 L193Y151-N191 WeakPolarHBondContact CD1-O 3.01Å; H162-N191 WeakPolarHBondContact NE2-CB 3.35Å; H162-N191 PolarHBondContact NE2-ND2 2.78Å; P163-N191 HydrophobicContact CG-CB 3.84Å; G189-N191 PolarHBondContact O-N 3.35Å; N191-L193 VanDerWaalsContact C-N 3.35Å; N191-L193 PolarHBondContact O-N 3.05Å; N191-L193 VanDerWaalsContact O-N 3.1Å
192V94.9Very high94.8Very high41 Ų4127.6 Ų27.625%0.24816%0.16CC..  trans-83.581.5177.2-170.20000108.3T150 S190 A195 G196T150-V192 HydrophobicContact CG2-CB 4.46Å; T150-V192 HydrophobicContact CG2-CG1 3.54Å; S190-V192 PolarHBondContact OG-N 3.33Å; V192-A195 HydrophobicContact CB-CB 4.25Å; V192-A195 HydrophobicContact CG1-CB 3.45Å; V192-A195 VanDerWaalsContact CG1-CB 3.45Å; V192-G196 PolarHBondContact O-N 2.94Å
193L96Very high94.7Very high0 Ų025.7 Ų25.70%015%0.148CC..Hα-helixtrans-65.4-52.3-168.8-62.9-174000112.4T150 Y151 V153 L160 V161 V186 N191 A195 G196 V197T150-L193 PolarHBondContact O-N 2.91Å; T150-L193 VanDerWaalsContact O-N 3.16Å; Y151-L193 WeakPolarHBondContact O-CD1 3.49Å; V153-L193 HydrophobicContact CG2-CB 3.76Å; L160-L193 HydrophobicContact CB-CD1 4.13Å; L160-L193 HydrophobicContact CD2-CD1 3.95Å; L160-L193 HydrophobicContact CD2-CD2 3.89Å; L160-L193 HydrophobicContact CD2-CG 4.45Å; L160-L193 HydrophobicContact CG-CD1 3.68Å; L160-L193 HydrophobicContact CG-CD2 4.38Å; L160-L193 VanDerWaalsContact O-CD1 3.28Å; L160-L193 WeakPolarHBondContact O-CD1 3.17Å; V161-L193 VanDerWaalsContact C-CD1 3.41Å; V161-L193 WeakPolarHBondContact O-CD1 3.45Å; V186-L193 HydrophobicContact CG1-CD2 4.08Å; V186-L193 HydrophobicContact CG2-CD2 4.17Å; N191-L193 VanDerWaalsContact C-N 3.35Å; N191-L193 PolarHBondContact O-N 3.05Å; N191-L193 VanDerWaalsContact O-N 3.1Å; L193-A195 PolarHBondContact O-N 3.07Å; L193-G196 CarbonylContact O-C 3.58Å; L193-G196 PolarHBondContact O-N 3.4Å; L193-V197 WeakPolarHBondContact O-CG1 3.29Å; L193-V197 PolarHBondContact O-N 3.28Å
194S94.5Very high94.6Very high14 Ų1424.4 Ų24.410%0.09814%0.138CC..Hα-helixtrans-66.7-23.3-175.364.10000113.4G14 G149 T150 V153G14-S194 CarbonylContact C-O 3.49Å; G14-S194 WeakPolarHBondContact CA-O 3.39Å; G149-S194 WeakPolarHBondContact O-CB 3.44Å; G149-S194 PolarHBondContact O-OG 3.1Å; T150-S194 VanDerWaalsContact CA-OG 3.28Å; T150-S194 WeakPolarHBondContact CA-OG 3.48Å; T150-S194 PolarHBondContact O-N 2.82Å; T150-S194 PolarHBondContact O-OG 3.11Å; V153-S194 VanDerWaalsContact CG2-CA 3.44Å
195A95.1Very high94.7Very high6 Ų623.8 Ų23.85%0.0513%0.131CC..Hα-helixtrans-68.3-39.4170.100000111.1E12 V13 G14 V15 V192 L193E12-A195 CarbonylContact C-O 3.59Å; E12-A195 WeakPolarHBondContact CA-O 3.2Å; E12-A195 HydrophobicContact CB-CB 4.16Å; E12-A195 HydrophobicContact CG-CB 4.16Å; V13-A195 PolarHBondContact N-O 2.99Å; V13-A195 VanDerWaalsContact N-O 3.09Å; G14-A195 PolarHBondContact N-O 3.21Å; V15-A195 HydrophobicContact CG2-CB 3.72Å; V192-A195 HydrophobicContact CB-CB 4.25Å; V192-A195 HydrophobicContact CG1-CB 3.45Å; V192-A195 VanDerWaalsContact CG1-CB 3.45Å; L193-A195 PolarHBondContact O-N 3.07Å
196G94.7Very high94.7Very high1 Ų122 Ų221%0.0112%0.12CC..Hα-helixtrans-92.7-14.4-173.400000116.3V13 N187 V192 L193 C206 G207V13-G196 WeakPolarHBondContact CG2-O 3.34Å; N187-G196 VanDerWaalsContact ND2-CA 3.27Å; N187-G196 WeakPolarHBondContact ND2-CA 3.48Å; V192-G196 PolarHBondContact O-N 2.94Å; L193-G196 CarbonylContact O-C 3.58Å; L193-G196 PolarHBondContact O-N 3.4Å; G196-C206 CarbonylContact O-C 3.53Å; G196-C206 WeakPolarHBondContact O-CA 3.43Å; G196-G207 PolarHBondContact O-N 2.77Å
197V96.3Very high94.6Very high2 Ų222 Ų221%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-144.9138.7179.863.30000112.7V153 V186 L193 A204 F205 I218V153-V197 HydrophobicContact CB-CG1 4.24Å; V153-V197 HydrophobicContact CG1-CG1 4.1Å; V153-V197 HydrophobicContact CG2-CG1 3.92Å; V186-V197 HydrophobicContact CG1-CB 4.14Å; V186-V197 HydrophobicContact CG1-CG1 3.85Å; L193-V197 WeakPolarHBondContact O-CG1 3.29Å; L193-V197 PolarHBondContact O-N 3.28Å; V197-A204 HydrophobicContact CG2-CB 4.34Å; V197-F205 WeakPolarHBondContact CA-O 3.2Å; V197-I218 HydrophobicContact CG2-CD1 4.47Å
198C94Very high94.6Very high8 Ų825.1 Ų25.15%0.05414%0.136CC..EExtended strand (participates in β ladder)trans-117.3137.4164.1-77.50000109.1G14 A17 L19 A204 F205G14-C198 WeakPolarHBondContact CA-SG 3.39Å; A17-C198 PolarHBondContact O-SG 3.45Å; L19-C198 HydrophobicContact CB-CB 3.92Å; C198-A204 CarbonylContact O-C 3.52Å; C198-A204 VanDerWaalsContact O-CA 3.27Å; C198-A204 WeakPolarHBondContact O-CA 3.09Å; C198-F205 PolarHBondContact N-O 2.9Å; C198-F205 PolarHBondContact O-N 3.19Å
199V95.7Very high94.6Very high11 Ų1118.9 Ų18.97%0.06712%0.117CC..EExtended strand (participates in β ladder)trans-139.5145.9-175.566.90000110.8V153 A204 F222V153-V199 HydrophobicContact CG1-CB 4.44Å; V153-V199 HydrophobicContact CG1-CG1 3.43Å; V153-V199 VanDerWaalsContact CG1-CG1 3.43Å; V199-A204 HydrophobicContact CB-CB 4.09Å; V199-A204 HydrophobicContact CG2-CB 3.89Å; V199-F222 HydrophobicContact CB-CD2 4.4Å; V199-F222 HydrophobicContact CB-CE2 4.37Å; V199-F222 HydrophobicContact CB-CZ 4.48Å; V199-F222 HydrophobicContact CG1-CD1 4.24Å; V199-F222 HydrophobicContact CG1-CD2 4.5Å; V199-F222 HydrophobicContact CG1-CE1 3.81Å; V199-F222 HydrophobicContact CG1-CE2 4.15Å; V199-F222 HydrophobicContact CG1-CZ 3.78Å; V199-F222 HydrophobicContact CG2-CB 3.97Å; V199-F222 HydrophobicContact CG2-CD1 4Å; V199-F222 HydrophobicContact CG2-CD2 3.76Å; V199-F222 HydrophobicContact CG2-CE1 4.36Å; V199-F222 HydrophobicContact CG2-CE2 4.2Å; V199-F222 HydrophobicContact CG2-CG 3.65Å; V199-F222 HydrophobicContact CG2-CZ 4.48Å
200N93.9Very high94.8Very high3 Ų316.7 Ų16.72%0.0169%0.094CC..  trans-126.5-169.5162.267.213000108.8L19 N21 W202 C203L19-N200 HydrophobicContact CD2-CB 3.91Å; L19-N200 HydrophobicContact CG-CB 3.88Å; N21-N200 WeakPolarHBondContact OD1-CB 3.4Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.27Å; N200-W202 PolarHBondContact O-N 3.48Å; N200-W202 PolarHBondContact OD1-N 3.45Å; N200-W202 VanDerWaalsContact OD1-N 3.08Å; N200-C203 PolarHBondContact N-O 3.2Å; N200-C203 WeakPolarHBondContact OD1-CA 3.28Å; N200-C203 PolarHBondContact OD1-N 2.96Å; N200-C203 PolarHBondContact OD1-O 3.34Å; N200-C203 PolarHBondContact OD1-SG 3.05Å
201D91.7Very high94.8Very high18 Ų1817 Ų1710%0.0969%0.094CC..SBendtrans-71.1-12.2-172.9-66.4-15.4000114.7N21 S155 N156 Q157 F232N21-D201 VanDerWaalsContact ND2-CG 3.29Å; N21-D201 PolarHBondContact ND2-OD2 3.38Å; N21-D201 PolarHBondContact OD1-N 3.01Å; N21-D201 VanDerWaalsContact OD1-N 3.12Å; S155-D201 WeakPolarHBondContact CB-OD1 3.42Å; N156-D201 WeakPolarHBondContact CB-OD1 3.36Å; N156-D201 WeakPolarHBondContact CB-OD2 3.39Å; N156-D201 PolarHBondContact N-OD1 2.99Å; N156-D201 PolarHBondContact ND2-OD2 3.27Å; Q157-D201 HydrophobicContact CG-CB 4.46Å; D201-F232 HydrophobicContact CB-CE1 4.28Å; D201-F232 HydrophobicContact CB-CE2 4.45Å; D201-F232 HydrophobicContact CB-CZ 3.66Å
202W90.7Very high94.8Very high27 Ų2716.1 Ų16.110%0.10210%0.1CC..SBendtrans-126.8-22.3-175.463.690.7000115.1M1 N21 L42 I45 I46 N200 F232M1-W202 PolarHBondContact N-O 3.27Å; N21-W202 HydrophobicContact CB-CH2 4.39Å; N21-W202 HydrophobicContact CB-CZ3 4.03Å; N21-W202 WeakPolarHBondContact O-CH2 3.36Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.47Å; L42-W202 HydrophobicContact CD2-CZ2 4.38Å; I45-W202 HydrophobicContact CB-CZ2 4.31Å; I45-W202 HydrophobicContact CG2-CH2 4.11Å; I45-W202 HydrophobicContact CG2-CZ2 3.69Å; I46-W202 HydrophobicContact CD1-CH2 4.31Å; I46-W202 HydrophobicContact CD1-CZ2 3.94Å; I46-W202 HydrophobicContact CG1-CZ2 4.24Å; I46-W202 HydrophobicContact CG2-CH2 3.87Å; I46-W202 HydrophobicContact CG2-CZ2 3.97Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.27Å; N200-W202 PolarHBondContact O-N 3.48Å; N200-W202 PolarHBondContact OD1-N 3.45Å; N200-W202 VanDerWaalsContact OD1-N 3.08Å; W202-F232 HydrophobicContact CB-CD1 4.37Å; W202-F232 HydrophobicContact CB-CD2 4.18Å; W202-F232 HydrophobicContact CB-CE2 4.46Å; W202-F232 HydrophobicContact CB-CG 4.12Å; W202-F232 HydrophobicContact CD2-CD1 4.41Å; W202-F232 AromaticContact CE3-CD1 3.93Å; W202-F232 HydrophobicContact CE3-CD1 3.93Å; W202-F232 AromaticContact CE3-CE1 3.7Å; W202-F232 HydrophobicContact CE3-CE1 3.7Å; W202-F232 HydrophobicContact CE3-CZ 4.37Å; W202-F232 HydrophobicContact CZ3-CE1 4.28Å
203C93.1Very high94.8Very high3 Ų319.2 Ų19.22%0.0212%0.119CC..  trans-141.9156.5179.373.40000113.1M1 L42 N200M1-C203 WeakPolarHBondContact O-CA 3.47Å; L42-C203 VanDerWaalsContact CD2-SG 3.58Å; N200-C203 PolarHBondContact N-O 3.2Å; N200-C203 WeakPolarHBondContact OD1-CA 3.28Å; N200-C203 PolarHBondContact OD1-N 2.96Å; N200-C203 PolarHBondContact OD1-O 3.34Å; N200-C203 PolarHBondContact OD1-SG 3.05Å
204A94.9Very high94.8Very high0 Ų019.8 Ų19.80%012%0.122CC..EExtended strand (participates in β ladder)trans-132.6146.7169.900000110.4M1 A2 L3 V197 C198 V199 I218 L224M1-A204 PolarHBondContact O-N 3.18Å; A2-A204 CarbonylContact C-O 3.48Å; A2-A204 VanDerWaalsContact CA-O 3.3Å; A2-A204 WeakPolarHBondContact CA-O 3.03Å; A2-A204 HydrophobicContact CB-CB 4.05Å; L3-A204 PolarHBondContact N-O 2.83Å; V197-A204 HydrophobicContact CG2-CB 4.34Å; C198-A204 CarbonylContact O-C 3.52Å; C198-A204 VanDerWaalsContact O-CA 3.27Å; C198-A204 WeakPolarHBondContact O-CA 3.09Å; V199-A204 HydrophobicContact CB-CB 4.09Å; V199-A204 HydrophobicContact CG2-CB 3.89Å; A204-I218 HydrophobicContact CB-CG2 4.07Å; A204-L224 HydrophobicContact CB-CD1 3.47Å; A204-L224 VanDerWaalsContact CB-CD1 3.47Å
205F96.1Very high94.9Very high0 Ų020 Ų200%012%0.121CC..EExtended strand (participates in β ladder)trans-116.1117.1170.6-59.4-83.5000108L3 V5 V13 L19 A37 F38 E41 L42 V197 C198L3-F205 HydrophobicContact CB-CD1 4.16Å; L3-F205 HydrophobicContact CB-CE1 4.49Å; L3-F205 HydrophobicContact CD1-CD1 4.49Å; L3-F205 HydrophobicContact CD1-CE1 4.02Å; L3-F205 WeakPolarHBondContact O-CA 3.47Å; V5-F205 HydrophobicContact CG2-CB 4.36Å; V5-F205 HydrophobicContact CG2-CD1 3.75Å; V13-F205 WeakPolarHBondContact CG2-O 3.18Å; L19-F205 HydrophobicContact CD2-CD2 3.83Å; L19-F205 HydrophobicContact CD2-CE2 3.89Å; A37-F205 WeakPolarHBondContact O-CE1 3.47Å; F38-F205 HydrophobicContact CB-CZ 4.48Å; F38-F205 HydrophobicContact CD1-CD1 4.43Å; F38-F205 AromaticContact CD1-CD2 3.75Å; F38-F205 HydrophobicContact CD1-CD2 3.75Å; F38-F205 HydrophobicContact CD1-CE1 4.29Å; F38-F205 AromaticContact CD1-CE2 3.6Å; F38-F205 HydrophobicContact CD1-CE2 3.6Å; F38-F205 HydrophobicContact CD1-CG 4.16Å; F38-F205 AromaticContact CD1-CZ 3.87Å; F38-F205 HydrophobicContact CD1-CZ 3.87Å; F38-F205 HydrophobicContact CD2-CD1 4.41Å; F38-F205 HydrophobicContact CD2-CE1 4.5Å; F38-F205 HydrophobicContact CE1-CB 4.13Å; F38-F205 HydrophobicContact CE1-CD1 4.3Å; F38-F205 AromaticContact CE1-CD2 3.33Å; F38-F205 HydrophobicContact CE1-CD2 3.33Å; F38-F205 AromaticContact CE1-CE2 3.71Å; F38-F205 HydrophobicContact CE1-CE2 3.71Å; F38-F205 AromaticContact CE1-CG 3.65Å; F38-F205 HydrophobicContact CE1-CG 3.65Å; F38-F205 HydrophobicContact CE1-CZ 4.31Å; F38-F205 HydrophobicContact CE2-CB 4.33Å; F38-F205 HydrophobicContact CE2-CD1 4.25Å; F38-F205 HydrophobicContact CE2-CG 4.14Å; F38-F205 HydrophobicContact CG-CE1 4.26Å; F38-F205 HydrophobicContact CG-CE2 4.34Å; F38-F205 HydrophobicContact CG-CZ 4.17Å; F38-F205 HydrophobicContact CZ-CB 3.73Å; F38-F205 HydrophobicContact CZ-CD1 4.2Å; F38-F205 AromaticContact CZ-CD2 3.83Å; F38-F205 HydrophobicContact CZ-CD2 3.83Å; F38-F205 AromaticContact CZ-CG 3.64Å; F38-F205 HydrophobicContact CZ-CG 3.64Å; E41-F205 HydrophobicContact CB-CZ 4.06Å; E41-F205 HydrophobicContact CG-CE1 4.33Å; E41-F205 HydrophobicContact CG-CZ 4.34Å; L42-F205 HydrophobicContact CD1-CE2 3.96Å; L42-F205 HydrophobicContact CD1-CZ 4.17Å; L42-F205 HydrophobicContact CD2-CE2 4.45Å; L42-F205 HydrophobicContact CG-CE2 4.26Å; L42-F205 HydrophobicContact CG-CZ 4.15Å; V197-F205 WeakPolarHBondContact CA-O 3.2Å; C198-F205 PolarHBondContact N-O 2.9Å; C198-F205 PolarHBondContact O-N 3.19Å
206C95.8Very high94.8Very high0 Ų023.2 Ų23.20%014%0.144CC..EExtended strand (participates in β ladder)trans-110.3152.1-178.4-550000109.4L3 R4 V5 G196 T210L3-C206 PolarHBondContact O-N 3.4Å; R4-C206 CarbonylContact C-O 3.56Å; R4-C206 WeakPolarHBondContact CA-O 3.34Å; V5-C206 PolarHBondContact N-O 3.32Å; G196-C206 CarbonylContact O-C 3.53Å; G196-C206 WeakPolarHBondContact O-CA 3.43Å; C206-T210 HydrophobicContact CB-CG2 4.1Å
207G95.4Very high94.8Very high0 Ų026 Ų260%016%0.16CC..EExtended strand (participates in β ladder)trans-62151.2174.400000112.9V5 K11 N187 G196 D209 T210V5-G207 CarbonylContact O-C 3.55Å; V5-G207 WeakPolarHBondContact O-CA 3.48Å; K11-G207 WeakPolarHBondContact O-CA 3.45Å; N187-G207 VanDerWaalsContact OD1-C 3.25Å; N187-G207 WeakPolarHBondContact OD1-CA 3.25Å; N187-G207 PolarHBondContact OD1-O 3.18Å; G196-G207 PolarHBondContact O-N 2.77Å; G207-D209 PolarHBondContact O-N 2.94Å; G207-T210 WeakPolarHBondContact O-CB 3.49Å; G207-T210 PolarHBondContact O-N 2.71Å; G207-T210 PolarHBondContact O-OG1 2.94Å
208I95Very high94.8Very high69 Ų6925.9 Ų25.935%0.35416%0.16SC..THydrogen-bonded Turntrans-55.3-29.2-173-167.758.5000114.4R4 V5 Q6 K11 T210R4-I208 HydrophobicContact CB-CD1 4.11Å; V5-I208 PolarHBondContact O-N 2.83Å; Q6-I208 HydrophobicContact CB-CB 4.02Å; Q6-I208 HydrophobicContact CB-CG2 4.1Å; Q6-I208 HydrophobicContact CG-CB 4.45Å; Q6-I208 HydrophobicContact CG-CG2 3.96Å; K11-I208 HydrophobicContact CB-CG2 4.2Å; I208-T210 VanDerWaalsContact C-N 3.32Å
209D96.4Very high94.8Very high52 Ų5228.3 Ų28.328%0.27817%0.17SC..THydrogen-bonded Turntrans-79.7-14.2-179.9-83.5-8.3000113.2K11 N187 R188 G207 T211K11-D209 HydrophobicContact CD-CB 3.83Å; K11-D209 WeakPolarHBondContact CD-OD2 3.2Å; K11-D209 IonicContact NZ-OD2 3.94Å; K11-D209 PolarHBondContact NZ-OD2 3.48Å; N187-D209 HydrophobicContact CB-CB 4.28Å; R188-D209 HydrophobicContact CG-CB 4.16Å; R188-D209 WeakPolarHBondContact CG-O 3.29Å; G207-D209 PolarHBondContact O-N 2.94Å; D209-T211 PolarHBondContact O-N 3.42Å
210T96.7Very high94.7Very high1 Ų131.6 Ų31.61%0.00619%0.194CC..  trans-57.6121.4-174.5-550000110.7R4 N187 C206 G207 I208 E214 I215 I218R4-T210 VanDerWaalsContact CZ-O 3.28Å; R4-T210 PolarHBondContact NE-O 3.07Å; R4-T210 PolarHBondContact NH2-O 2.73Å; N187-T210 PolarHBondContact N-OG1 2.87Å; N187-T210 PolarHBondContact OD1-OG1 3.25Å; C206-T210 HydrophobicContact CB-CG2 4.1Å; G207-T210 WeakPolarHBondContact O-CB 3.49Å; G207-T210 PolarHBondContact O-N 2.71Å; G207-T210 PolarHBondContact O-OG1 2.94Å; I208-T210 VanDerWaalsContact C-N 3.32Å; T210-E214 HydrophobicContact CG2-CB 3.58Å; T210-I215 HydrophobicContact CG2-CG1 3.88Å; T210-I218 HydrophobicContact CG2-CD1 4.23Å
211T96.4Very high94.8Very high40 Ų4032.3 Ų32.325%0.24520%0.197CC..  trans-71.2160.8-172.360.50000111.9R188 D209 T213 E214 I215R188-T211 HydrophobicContact CB-CG2 4.31Å; R188-T211 HydrophobicContact CG-CG2 3.72Å; D209-T211 PolarHBondContact O-N 3.42Å; T211-T213 PolarHBondContact O-N 2.95Å; T211-T213 PolarHBondContact OG1-OG1 2.86Å; T211-E214 PolarHBondContact N-OE2 3.1Å; T211-E214 PolarHBondContact O-N 3.48Å; T211-E214 WeakPolarHBondContact OG1-CB 3.13Å; T211-E214 VanDerWaalsContact OG1-CD 3.24Å; T211-E214 WeakPolarHBondContact OG1-CG 3.47Å; T211-E214 PolarHBondContact OG1-N 3.01Å; T211-E214 PolarHBondContact OG1-OE2 3.37Å; T211-I215 WeakPolarHBondContact O-CG1 3.46Å; T211-I215 PolarHBondContact O-N 2.95Å
212G93.8Very high94.9Very high43 Ų4331.4 Ų31.444%0.44319%0.193SC..Hα-helixtrans-59-35.6176.300000112.7I215 S216G212-I215 PolarHBondContact O-N 3.43Å; G212-S216 PolarHBondContact O-N 3.03Å; G212-S216 PolarHBondContact O-OG 2.87Å; G212-S216 VanDerWaalsContact O-OG 3.05Å
213T94.6Very high95Very high105 Ų10533.8 Ų33.864%0.64420%0.204SC*.Hα-helixtrans-66.8-42.9175.744.80000112.5T211 S216 V217T211-T213 PolarHBondContact O-N 2.95Å; T211-T213 PolarHBondContact OG1-OG1 2.86Å; T213-S216 PolarHBondContact O-N 2.91Å; T213-V217 WeakPolarHBondContact O-CG2 3.46Å; T213-V217 PolarHBondContact O-N 3.07Å
214E96.8Very high94.8Very high13 Ų1334.2 Ų34.26%0.06121%0.206CC..Hα-helixtrans-63.9-42.4175.5-70.9166.8147.200110.8T185 V186 R188 G189 T210 T211 S216 V217 I218T185-E214 WeakPolarHBondContact CB-OE1 3.43Å; T185-E214 VanDerWaalsContact O-CG 3.27Å; T185-E214 WeakPolarHBondContact O-CG 3.4Å; T185-E214 PolarHBondContact OG1-OE1 3.16Å; V186-E214 PolarHBondContact N-OE1 3.24Å; R188-E214 PolarHBondContact N-OE1 2.78Å; R188-E214 PolarHBondContact N-OE2 3.13Å; R188-E214 VanDerWaalsContact N-OE2 3.13Å; G189-E214 PolarHBondContact N-OE1 3.06Å; T210-E214 HydrophobicContact CG2-CB 3.58Å; T211-E214 PolarHBondContact N-OE2 3.1Å; T211-E214 PolarHBondContact O-N 3.48Å; T211-E214 WeakPolarHBondContact OG1-CB 3.13Å; T211-E214 VanDerWaalsContact OG1-CD 3.24Å; T211-E214 WeakPolarHBondContact OG1-CG 3.47Å; T211-E214 PolarHBondContact OG1-N 3.01Å; T211-E214 PolarHBondContact OG1-OE2 3.37Å; E214-S216 PolarHBondContact O-N 3.09Å; E214-V217 PolarHBondContact O-N 3.27Å; E214-I218 VanDerWaalsContact O-CG1 3.29Å; E214-I218 WeakPolarHBondContact O-CG1 3.28Å; E214-I218 PolarHBondContact O-N 3.22Å
215I95.3Very high93.7Very high17 Ų1737 Ų379%0.08723%0.234CC..Hα-helixtrans-59.5-46.8175.2-71-174.2000111.3A2 R4 T210 T211 G212 V217 I218 E219A2-I215 HydrophobicContact CB-CG2 4.09Å; R4-I215 HydrophobicContact CG-CD1 3.75Å; R4-I215 VanDerWaalsContact NH2-CD1 3.33Å; T210-I215 HydrophobicContact CG2-CG1 3.88Å; T211-I215 WeakPolarHBondContact O-CG1 3.46Å; T211-I215 PolarHBondContact O-N 2.95Å; G212-I215 PolarHBondContact O-N 3.43Å; I215-V217 PolarHBondContact O-N 3.26Å; I215-I218 PolarHBondContact O-N 3.25Å; I215-I218 VanDerWaalsContact O-N 3.11Å; I215-E219 HydrophobicContact CG2-CG 4.05Å; I215-E219 WeakPolarHBondContact O-CG 3.42Å; I215-E219 PolarHBondContact O-N 3.22Å
216S94.2Very high91.8Very high75 Ų7545.7 Ų45.752%0.52427%0.267SS..Hα-helixtrans-58.6-36.2178.5-60.90000112.7G212 T213 E214 S220G212-S216 PolarHBondContact O-N 3.03Å; G212-S216 PolarHBondContact O-OG 2.87Å; G212-S216 VanDerWaalsContact O-OG 3.05Å; T213-S216 PolarHBondContact O-N 2.91Å; E214-S216 PolarHBondContact O-N 3.09Å; S216-S220 WeakPolarHBondContact O-CB 3.49Å; S216-S220 PolarHBondContact O-N 3.16Å
217V94.6Very high89.7Confident59 Ų5949.9 Ų49.936%0.35829%0.286SS..Hα-helixtrans-67.9-47.2175.4174.50000110.5L160 V182 T213 E214 I215 S220 I221L160-V217 HydrophobicContact CD1-CG1 4.2Å; V182-V217 HydrophobicContact CG1-CG1 3.76Å; T213-V217 WeakPolarHBondContact O-CG2 3.46Å; T213-V217 PolarHBondContact O-N 3.07Å; E214-V217 PolarHBondContact O-N 3.27Å; I215-V217 PolarHBondContact O-N 3.26Å; V217-S220 PolarHBondContact O-N 3.24Å; V217-I221 WeakPolarHBondContact O-CG2 3.31Å; V217-I221 PolarHBondContact O-N 3.39Å
218I95.1Very high87.3Confident0 Ų051.4 Ų51.40%030%0.302CS..Hα-helixtrans-59-49.4178.3-68.1166.3000110.6A2 L160 V186 V197 A204 T210 E214 I215 S220 I221 F222 L224A2-I218 HydrophobicContact CB-CG2 4.28Å; L160-I218 HydrophobicContact CD2-CG1 4.17Å; V186-I218 HydrophobicContact CG1-CD1 4.1Å; V197-I218 HydrophobicContact CG2-CD1 4.47Å; A204-I218 HydrophobicContact CB-CG2 4.07Å; T210-I218 HydrophobicContact CG2-CD1 4.23Å; E214-I218 VanDerWaalsContact O-CG1 3.29Å; E214-I218 WeakPolarHBondContact O-CG1 3.28Å; E214-I218 PolarHBondContact O-N 3.22Å; I215-I218 PolarHBondContact O-N 3.25Å; I215-I218 VanDerWaalsContact O-N 3.11Å; I218-S220 VanDerWaalsContact C-N 3.31Å; I218-S220 PolarHBondContact O-N 3.23Å; I218-I221 WeakPolarHBondContact O-CG2 3.49Å; I218-I221 PolarHBondContact O-N 2.68Å; I218-F222 HydrophobicContact CB-CD2 4.46Å; I218-F222 HydrophobicContact CG2-CD2 3.74Å; I218-F222 HydrophobicContact CG2-CE2 4.06Å; I218-F222 WeakPolarHBondContact O-CB 3.14Å; I218-F222 WeakPolarHBondContact O-CD2 3.38Å; I218-F222 PolarHBondContact O-N 2.81Å; I218-F222 VanDerWaalsContact O-N 3.08Å; I218-L224 HydrophobicContact CG2-CD1 4.3Å
219E94.5Very high84.9Confident59 Ų5952.4 Ų52.428%0.27631%0.313SS..Hα-helixtrans-64-37.7179.2-67.7-170.9141.400112.2A2 I215 K223 L224A2-E219 HydrophobicContact CB-CG 3.65Å; A2-E219 PolarHBondContact N-OE1 3.1Å; I215-E219 HydrophobicContact CG2-CG 4.05Å; I215-E219 WeakPolarHBondContact O-CG 3.42Å; I215-E219 PolarHBondContact O-N 3.22Å; E219-K223 CarbonylContact O-C 3.51Å; E219-K223 WeakPolarHBondContact O-CA 3.29Å; E219-K223 PolarHBondContact O-N 3.41Å; E219-L224 HydrophobicContact CB-CB 4.26Å; E219-L224 HydrophobicContact CG-CB 4.25Å; E219-L224 HydrophobicContact CG-CD1 4.36Å; E219-L224 PolarHBondContact O-N 3.19Å
220S94.1Very high82.6Confident79 Ų7953.6 Ų53.655%0.55233%0.326SS*.Hα-helixtrans-67.5-50.6177.4-175.70000112.3S216 V217 I218 K223S216-S220 WeakPolarHBondContact O-CB 3.49Å; S216-S220 PolarHBondContact O-N 3.16Å; V217-S220 PolarHBondContact O-N 3.24Å; I218-S220 VanDerWaalsContact C-N 3.31Å; I218-S220 PolarHBondContact O-N 3.23Å; S220-K223 PolarHBondContact O-N 3.38Å
221I94.9Very high80.4Confident18 Ų1858.3 Ų58.39%0.09235%0.348CS..Hα-helixtrans-68.7-38.9-174.2-16862.5000112.2P180 V182 V217 I218 K223P180-I221 HydrophobicContact CB-CD1 3.82Å; P180-I221 HydrophobicContact CG-CD1 4.14Å; P180-I221 WeakPolarHBondContact O-CD1 3.43Å; V182-I221 HydrophobicContact CB-CD1 3.96Å; V182-I221 HydrophobicContact CB-CG1 4.24Å; V182-I221 HydrophobicContact CG1-CB 3.81Å; V182-I221 HydrophobicContact CG1-CD1 3.95Å; V182-I221 HydrophobicContact CG1-CG1 3.68Å; V182-I221 HydrophobicContact CG1-CG2 4.13Å; V217-I221 WeakPolarHBondContact O-CG2 3.31Å; V217-I221 PolarHBondContact O-N 3.39Å; I218-I221 WeakPolarHBondContact O-CG2 3.49Å; I218-I221 PolarHBondContact O-N 2.68Å; I221-K223 VanDerWaalsContact C-N 3.29Å
222F94.8Very high78.2Confident0 Ų057.9 Ų57.90%034%0.342CS..THydrogen-bonded Turntrans-89.35177.6-60-61.8000112.8V153 S155 G158 L160 V199 I218 L224V153-F222 HydrophobicContact CG1-CZ 4.09Å; V153-F222 WeakPolarHBondContact O-CZ 3.46Å; S155-F222 WeakPolarHBondContact OG-CD1 3.19Å; G158-F222 WeakPolarHBondContact O-CD1 3.37Å; G158-F222 WeakPolarHBondContact O-CE1 3.21Å; L160-F222 HydrophobicContact CB-CE2 4.15Å; L160-F222 HydrophobicContact CB-CZ 3.87Å; V199-F222 HydrophobicContact CB-CD2 4.4Å; V199-F222 HydrophobicContact CB-CE2 4.37Å; V199-F222 HydrophobicContact CB-CZ 4.48Å; V199-F222 HydrophobicContact CG1-CD1 4.24Å; V199-F222 HydrophobicContact CG1-CD2 4.5Å; V199-F222 HydrophobicContact CG1-CE1 3.81Å; V199-F222 HydrophobicContact CG1-CE2 4.15Å; V199-F222 HydrophobicContact CG1-CZ 3.78Å; V199-F222 HydrophobicContact CG2-CB 3.97Å; V199-F222 HydrophobicContact CG2-CD1 4Å; V199-F222 HydrophobicContact CG2-CD2 3.76Å; V199-F222 HydrophobicContact CG2-CE1 4.36Å; V199-F222 HydrophobicContact CG2-CE2 4.2Å; V199-F222 HydrophobicContact CG2-CG 3.65Å; V199-F222 HydrophobicContact CG2-CZ 4.48Å; I218-F222 HydrophobicContact CB-CD2 4.46Å; I218-F222 HydrophobicContact CG2-CD2 3.74Å; I218-F222 HydrophobicContact CG2-CE2 4.06Å; I218-F222 WeakPolarHBondContact O-CB 3.14Å; I218-F222 WeakPolarHBondContact O-CD2 3.38Å; I218-F222 PolarHBondContact O-N 2.81Å; I218-F222 VanDerWaalsContact O-N 3.08Å; F222-L224 HydrophobicContact CB-CD1 4.17Å; F222-L224 HydrophobicContact CB-CD2 3.93Å; F222-L224 HydrophobicContact CB-CG 3.77Å; F222-L224 PolarHBondContact O-N 2.77Å
223K92.2Very high76.2Confident77 Ų7757.5 Ų57.534%0.33533%0.333SS..THydrogen-bonded Turntrans53.735.6179.2-53.5177.9-164.8158.50113.8Q157 E219 S220 I221Q157-K223 HydrophobicContact CB-CD 4.34Å; Q157-K223 HydrophobicContact CB-CG 4.46Å; E219-K223 CarbonylContact O-C 3.51Å; E219-K223 WeakPolarHBondContact O-CA 3.29Å; E219-K223 PolarHBondContact O-N 3.41Å; S220-K223 PolarHBondContact O-N 3.38Å; I221-K223 VanDerWaalsContact C-N 3.29Å
224L88.5Confident74.3Confident12 Ų1255.9 Ų55.96%0.06332%0.323CS..THydrogen-bonded Turntrans-73.7144.4-178-50.8176.3000110.8A2 A204 I218 E219 F222 R226A2-L224 HydrophobicContact CB-CD1 4.23Å; A204-L224 HydrophobicContact CB-CD1 3.47Å; A204-L224 VanDerWaalsContact CB-CD1 3.47Å; I218-L224 HydrophobicContact CG2-CD1 4.3Å; E219-L224 HydrophobicContact CB-CB 4.26Å; E219-L224 HydrophobicContact CG-CB 4.25Å; E219-L224 HydrophobicContact CG-CD1 4.36Å; E219-L224 PolarHBondContact O-N 3.19Å; F222-L224 HydrophobicContact CB-CD1 4.17Å; F222-L224 HydrophobicContact CB-CD2 3.93Å; F222-L224 HydrophobicContact CB-CG 3.77Å; F222-L224 PolarHBondContact O-N 2.77Å; L224-R226 VanDerWaalsContact C-N 3.29Å; L224-R226 PolarHBondContact O-N 3Å
225G71.8Confident72.2Confident58 Ų5860.2 Ų60.260%0.59834%0.343SS*.THydrogen-bonded Turntrans80-2.3173.200000115.9
226R57.3Low70.3Confident182 Ų18261.9 Ų61.969%0.68735%0.352SS*.SBendtrans-75-29.6171.8-72.5-172.5-179.3174.83.5113.4L224L224-R226 VanDerWaalsContact C-N 3.29Å; L224-R226 PolarHBondContact O-N 3Å
227H50.7Low68.4Low88 Ų8866.5 Ų66.541%0.40736%0.358SS..SBendtrans-112.6123.7177.5-52.393.9000107.1E231H227-E231 WeakPolarHBondContact CA-OE2 3.47Å; H227-E231 HydrophobicContact CB-CB 4.19Å; H227-E231 IonicContact CD2-OE2 3.2Å; H227-E231 PolarHBondContact CD2-OE2 3.29Å; H227-E231 IonicContact CG-OE2 2.74Å
228G45.6Very low66.5Low32 Ų3267.8 Ų67.833%0.3336%0.363SS..  trans-58.3153168.900000109.7S230 E231 F232G228-S230 PolarHBondContact O-N 3.47Å; G228-E231 PolarHBondContact O-N 2.89Å; G228-F232 PolarHBondContact O-N 3.13Å
229P44.9Very low64.6Low91 Ų9170.4 Ų70.459%0.59138%0.381SS*.Hα-helixtrans-53.9-24.817619.2-30.3000112.9S233P229-S233 WeakPolarHBondContact O-CB 3.27Å; P229-S233 PolarHBondContact O-N 3.1Å; P229-S233 PolarHBondContact O-OG 2.78Å
230S47.7Very low62.6Low77 Ų7772.6 Ų72.654%0.53839%0.394SS..Hα-helixtrans-63.9-36.1172.652.40000114.4G228 S233 T234G228-S230 PolarHBondContact O-N 3.47Å; S230-S233 WeakPolarHBondContact CA-OG 3.37Å; S230-S233 PolarHBondContact O-OG 3.01Å; S230-T234 WeakPolarHBondContact O-CB 3.41Å; S230-T234 PolarHBondContact O-N 2.92Å; S230-T234 VanDerWaalsContact O-N 3.15Å; S230-T234 PolarHBondContact O-OG1 3.47Å
231E49.7Very low61.1Low100 Ų10073.3 Ų73.347%0.46739%0.391SS..Hα-helixtrans-75.4-42.7179.2-74.2-179.316500110.5H227 G228 S233 T234 E235H227-E231 WeakPolarHBondContact CA-OE2 3.47Å; H227-E231 HydrophobicContact CB-CB 4.19Å; H227-E231 IonicContact CD2-OE2 3.2Å; H227-E231 PolarHBondContact CD2-OE2 3.29Å; H227-E231 IonicContact CG-OE2 2.74Å; G228-E231 PolarHBondContact O-N 2.89Å; E231-S233 PolarHBondContact O-N 2.84Å; E231-T234 CarbonylContact O-C 3.58Å; E231-T234 WeakPolarHBondContact O-CA 3.43Å; E231-T234 WeakPolarHBondContact O-CB 3.07Å; E231-T234 PolarHBondContact O-N 2.92Å; E231-E235 PolarHBondContact O-N 3.03Å
232F50.9Low59.2Low30 Ų3079 Ų7913%0.13242%0.417CS..Hα-helixtrans-65.8-39.2178.4-135.2-86.1000112.4D201 W202 G228 T234 E235 L236D201-F232 HydrophobicContact CB-CE1 4.28Å; D201-F232 HydrophobicContact CB-CE2 4.45Å; D201-F232 HydrophobicContact CB-CZ 3.66Å; W202-F232 HydrophobicContact CB-CD1 4.37Å; W202-F232 HydrophobicContact CB-CD2 4.18Å; W202-F232 HydrophobicContact CB-CE2 4.46Å; W202-F232 HydrophobicContact CB-CG 4.12Å; W202-F232 HydrophobicContact CD2-CD1 4.41Å; W202-F232 AromaticContact CE3-CD1 3.93Å; W202-F232 HydrophobicContact CE3-CD1 3.93Å; W202-F232 AromaticContact CE3-CE1 3.7Å; W202-F232 HydrophobicContact CE3-CE1 3.7Å; W202-F232 HydrophobicContact CE3-CZ 4.37Å; W202-F232 HydrophobicContact CZ3-CE1 4.28Å; G228-F232 PolarHBondContact O-N 3.13Å; F232-T234 VanDerWaalsContact C-N 3.27Å; F232-T234 PolarHBondContact O-N 3.36Å; F232-E235 PolarHBondContact O-N 3.45Å; F232-L236 HydrophobicContact CD1-CD1 3.87Å; F232-L236 HydrophobicContact CD1-CG 4.18Å; F232-L236 HydrophobicContact CE1-CD1 4.37Å; F232-L236 HydrophobicContact CE1-CG 4.49Å; F232-L236 VanDerWaalsContact O-CB 3.3Å; F232-L236 WeakPolarHBondContact O-CB 3.32Å; F232-L236 WeakPolarHBondContact O-CG 3.14Å; F232-L236 PolarHBondContact O-N 2.96Å
233S52.4Low57.3Low36 Ų3684.4 Ų84.425%0.25245%0.45SS..Hα-helixtrans-66-30171.9540000112.6P229 S230 E231 R237P229-S233 WeakPolarHBondContact O-CB 3.27Å; P229-S233 PolarHBondContact O-N 3.1Å; P229-S233 PolarHBondContact O-OG 2.78Å; S230-S233 WeakPolarHBondContact CA-OG 3.37Å; S230-S233 PolarHBondContact O-OG 3.01Å; E231-S233 PolarHBondContact O-N 2.84Å; S233-R237 VanDerWaalsContact O-CB 3.29Å; S233-R237 WeakPolarHBondContact O-CB 3.33Å; S233-R237 WeakPolarHBondContact O-CG 3.43Å; S233-R237 PolarHBondContact O-N 3.45Å
234T53.5Low55.5Low71 Ų7187.8 Ų87.844%0.43647%0.47SS..Hα-helixtrans-72.8-42.7173.4-55.70000111.1S230 E231 F232 R237 N238S230-T234 WeakPolarHBondContact O-CB 3.41Å; S230-T234 PolarHBondContact O-N 2.92Å; S230-T234 VanDerWaalsContact O-N 3.15Å; S230-T234 PolarHBondContact O-OG1 3.47Å; E231-T234 CarbonylContact O-C 3.58Å; E231-T234 WeakPolarHBondContact O-CA 3.43Å; E231-T234 WeakPolarHBondContact O-CB 3.07Å; E231-T234 PolarHBondContact O-N 2.92Å; F232-T234 VanDerWaalsContact C-N 3.27Å; F232-T234 PolarHBondContact O-N 3.36Å; T234-R237 PolarHBondContact O-N 3.06Å; T234-N238 WeakPolarHBondContact O-CB 3.45Å; T234-N238 PolarHBondContact O-N 2.92Å; T234-N238 PolarHBondContact O-ND2 2.88Å; T234-N238 PolarHBondContact O-OD1 3.2Å
235E54Low53.8Low103 Ų10396.6 Ų96.648%0.48151%0.514SS..Hα-helixtrans-66.9-41.2175-74.6-176.1166.400112.7E231 F232 R237 N238 S239E231-E235 PolarHBondContact O-N 3.03Å; F232-E235 PolarHBondContact O-N 3.45Å; E235-R237 VanDerWaalsContact C-N 3.35Å; E235-N238 PolarHBondContact O-N 3.08Å; E235-S239 WeakPolarHBondContact O-CB 3.33Å; E235-S239 PolarHBondContact O-N 3.28Å; E235-S239 PolarHBondContact O-OG 3.01Å
236L55.3Low52.9Low53 Ų5398.5 Ų98.528%0.27751%0.509SS..Hα-helixtrans-62.4-42.7172.6-84.6166.4000111I45 F232 S239 L240I45-L236 HydrophobicContact CG2-CD1 3.98Å; F232-L236 HydrophobicContact CD1-CD1 3.87Å; F232-L236 HydrophobicContact CD1-CG 4.18Å; F232-L236 HydrophobicContact CE1-CD1 4.37Å; F232-L236 HydrophobicContact CE1-CG 4.49Å; F232-L236 VanDerWaalsContact O-CB 3.3Å; F232-L236 WeakPolarHBondContact O-CB 3.32Å; F232-L236 WeakPolarHBondContact O-CG 3.14Å; F232-L236 PolarHBondContact O-N 2.96Å; L236-S239 WeakPolarHBondContact CA-OG 3.33Å; L236-S239 PolarHBondContact O-OG 2.99Å; L236-L240 VanDerWaalsContact O-CB 3.29Å; L236-L240 WeakPolarHBondContact O-CB 3.4Å; L236-L240 WeakPolarHBondContact O-CD1 3.44Å; L236-L240 WeakPolarHBondContact O-CG 3.19Å; L236-L240 PolarHBondContact O-N 3.1Å
237R54.2Low52.6Low172 Ų17294.1 Ų94.165%0.64950%0.5SS*.Hα-helixtrans-63.8-42.5174-79175.8179.8166.13.3111.7S233 T234 E235 L240 I241S233-R237 VanDerWaalsContact O-CB 3.29Å; S233-R237 WeakPolarHBondContact O-CB 3.33Å; S233-R237 WeakPolarHBondContact O-CG 3.43Å; S233-R237 PolarHBondContact O-N 3.45Å; T234-R237 PolarHBondContact O-N 3.06Å; E235-R237 VanDerWaalsContact C-N 3.35Å; R237-L240 PolarHBondContact O-N 2.93Å; R237-I241 WeakPolarHBondContact O-CB 3.34Å; R237-I241 WeakPolarHBondContact O-CD1 3.27Å; R237-I241 WeakPolarHBondContact O-CG1 3.47Å; R237-I241 PolarHBondContact O-N 3.37Å
238N54.7Low52.7Low85 Ų8594.4 Ų94.446%0.45551%0.505SS..Hα-helixtrans-65.8-44.2179.5-69.2-14.5000111.5T234 E235 L240 I241 E242T234-N238 WeakPolarHBondContact O-CB 3.45Å; T234-N238 PolarHBondContact O-N 2.92Å; T234-N238 PolarHBondContact O-ND2 2.88Å; T234-N238 PolarHBondContact O-OD1 3.2Å; E235-N238 PolarHBondContact O-N 3.08Å; N238-L240 PolarHBondContact O-N 3.34Å; N238-I241 PolarHBondContact O-N 2.94Å; N238-E242 PolarHBondContact O-N 3.14Å
239S54.6Low53.2Low55 Ų5598.1 Ų98.139%0.38552%0.515SS..Hα-helixtrans-66-37.217753.70000112.5E235 L236 E242 T243E235-S239 WeakPolarHBondContact O-CB 3.33Å; E235-S239 PolarHBondContact O-N 3.28Å; E235-S239 PolarHBondContact O-OG 3.01Å; L236-S239 WeakPolarHBondContact CA-OG 3.33Å; L236-S239 PolarHBondContact O-OG 2.99Å; S239-E242 PolarHBondContact O-N 3.29Å; S239-T243 PolarHBondContact O-N 3.43Å; S239-T243 VanDerWaalsContact O-N 3.07Å; S239-T243 PolarHBondContact O-OG1 2.69Å
240L53.5Low53.7Low106 Ų10698.6 Ų98.656%0.55551%0.511SS*.Hα-helixtrans-65.9-36.9172.2-73.4170.2000112.3L236 R237 N238 T243 I244L236-L240 VanDerWaalsContact O-CB 3.29Å; L236-L240 WeakPolarHBondContact O-CB 3.4Å; L236-L240 WeakPolarHBondContact O-CD1 3.44Å; L236-L240 WeakPolarHBondContact O-CG 3.19Å; L236-L240 PolarHBondContact O-N 3.1Å; R237-L240 PolarHBondContact O-N 2.93Å; N238-L240 PolarHBondContact O-N 3.34Å; L240-T243 WeakPolarHBondContact CA-OG1 3.3Å; L240-T243 PolarHBondContact O-N 3.14Å; L240-T243 PolarHBondContact O-OG1 3.16Å; L240-I244 WeakPolarHBondContact O-CD1 3.44Å; L240-I244 VanDerWaalsContact O-CG1 3.3Å; L240-I244 WeakPolarHBondContact O-CG1 3.31Å; L240-I244 PolarHBondContact O-N 3.28Å
241I61.5Low54.1Low94 Ų94100 Ų10048%0.48251%0.509SS..Hα-helixtrans-69.2-42.2175.3-69.8163.3000110.6R237 N238 T243 I244 M245R237-I241 WeakPolarHBondContact O-CB 3.34Å; R237-I241 WeakPolarHBondContact O-CD1 3.27Å; R237-I241 WeakPolarHBondContact O-CG1 3.47Å; R237-I241 PolarHBondContact O-N 3.37Å; N238-I241 PolarHBondContact O-N 2.94Å; I241-T243 PolarHBondContact O-N 3.39Å; I241-I244 PolarHBondContact O-N 3.36Å; I241-I244 VanDerWaalsContact O-N 3.07Å; I241-M245 HydrophobicContact CG2-CE 4.27Å; I241-M245 PolarHBondContact O-N 3.41Å
242E56.1Low54.4Low138 Ų138100 Ų10065%0.64551%0.512SS*.Hα-helixtrans-64.1-28176.5-78.7-178.3174.800112.9N238 S239 I244 M245N238-E242 PolarHBondContact O-N 3.14Å; S239-E242 PolarHBondContact O-N 3.29Å; E242-I244 VanDerWaalsContact C-N 3.29Å; E242-M245 HydrophobicContact CG-CE 4.5Å
243T53.8Low54.7Low113 Ų113105.4 Ų105.469%0.69354%0.541SS*.THydrogen-bonded Turntrans-77.6-14.1174.214.50000113.7S239 L240 I241S239-T243 PolarHBondContact O-N 3.43Å; S239-T243 VanDerWaalsContact O-N 3.07Å; S239-T243 PolarHBondContact O-OG1 2.69Å; L240-T243 WeakPolarHBondContact CA-OG1 3.3Å; L240-T243 PolarHBondContact O-N 3.14Å; L240-T243 PolarHBondContact O-OG1 3.16Å; I241-T243 PolarHBondContact O-N 3.39Å
244I55.6Low54.9Low147 Ų147111.2 Ų111.275%0.75457%0.565SS**THydrogen-bonded Turntrans-96.1-17.5179.2-64.4166000111.8L240 I241 E242L240-I244 WeakPolarHBondContact O-CD1 3.44Å; L240-I244 VanDerWaalsContact O-CG1 3.3Å; L240-I244 WeakPolarHBondContact O-CG1 3.31Å; L240-I244 PolarHBondContact O-N 3.28Å; I241-I244 PolarHBondContact O-N 3.36Å; I241-I244 VanDerWaalsContact O-N 3.07Å; E242-I244 VanDerWaalsContact C-N 3.29Å
245M51.4Low55Low197 Ų197114.8 Ų114.897%0.9758%0.577SS**  trans-87.20174.6-69.7-166.2-65.400112.4I241 E242I241-M245 HydrophobicContact CG2-CE 4.27Å; I241-M245 PolarHBondContact O-N 3.41Å; E242-M245 HydrophobicContact CG-CE 4.5Å

Retrieved 245 of 245 residues in 451.9 ms (Link to these results)

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