G4VIR8_SCHMA Loading...

Actin-like protein

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession G4VIR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 353 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
1M56.2Low88.7Confident243 Ų24353.2 Ų53.2100%1.19732%0.32SS*.  0138.50-83.1176.2-126.700107.2
2A78Confident89Confident99 Ų9949.8 Ų49.882%0.81831%0.305SS*.PPolyproline II helixtrans-63.1141.8172.200000109.3
3S86Confident89.1Confident41 Ų4147.7 Ų47.729%0.28730%0.299SS..PPolyproline II helixtrans-59.1138.7171.941.10000110.1D96S3-D96 WeakPolarHBondContact CB-O 3.43Å; S3-D96 PolarHBondContact OG-O 3.25Å
4P91.4Very high89.5Confident34 Ų3446.8 Ų46.822%0.22130%0.295CS..PPolyproline II helixtrans-60.1140.9176.726.2-34.8000110.4F19 T21 H97P4-F19 HydrophobicContact CB-CB 4.24Å; P4-F19 HydrophobicContact CB-CD1 3.92Å; P4-F19 HydrophobicContact CB-CG 4.39Å; P4-F19 HydrophobicContact CG-CD1 3.82Å; P4-F19 HydrophobicContact CG-CE1 4.25Å; P4-F19 HydrophobicContact CG-CG 4.38Å; P4-T21 HydrophobicContact CB-CG2 4.15Å; P4-H97 PolarHBondContact O-ND1 3.25Å
5T94.2Very high89.9Confident38 Ų3843.7 Ų43.723%0.23328%0.275CS..PPolyproline II helixtrans-80133.5179.1-61.80000109.5F19 S20 N98 I100T5-F19 CarbonylContact O-C 3.55Å; T5-F19 WeakPolarHBondContact O-CA 3.14Å; T5-S20 PolarHBondContact N-OG 3.14Å; T5-S20 PolarHBondContact O-N 2.96Å; T5-N98 HydrophobicContact CG2-CB 4.23Å; T5-N98 WeakPolarHBondContact CG2-O 3.48Å; T5-I100 HydrophobicContact CG2-CD1 3.83Å; T5-I100 HydrophobicContact CG2-CG1 3.83Å
6L94.6Very high90.3Very high4 Ų445.6 Ų45.62%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-81.6131.2172.3-174.862.4000109.2I17 F19 L82 F94 N98 L99 I100L6-I17 HydrophobicContact CD1-CD1 4.14Å; L6-I17 HydrophobicContact CD1-CG1 3.9Å; L6-I17 HydrophobicContact CD2-CD1 4.35Å; L6-I17 HydrophobicContact CG-CD1 4.45Å; L6-I17 HydrophobicContact CG-CG1 4.47Å; L6-F19 HydrophobicContact CB-CD1 4.4Å; L6-F19 HydrophobicContact CB-CE1 4.28Å; L6-F19 HydrophobicContact CD1-CD1 4.31Å; L6-F19 HydrophobicContact CD1-CE1 4.24Å; L6-F19 HydrophobicContact CD1-CZ 4.39Å; L6-L82 HydrophobicContact CD2-CD2 3.9Å; L6-F94 HydrophobicContact CD2-CD1 4.02Å; L6-F94 HydrophobicContact CD2-CE1 4.01Å; L6-N98 PolarHBondContact N-O 2.87Å; L6-L99 HydrophobicContact CB-CD1 4.11Å; L6-L99 HydrophobicContact CD2-CD1 4.07Å; L6-L99 HydrophobicContact CG-CD1 3.94Å; L6-L99 CarbonylContact O-C 3.58Å; L6-L99 WeakPolarHBondContact O-CA 3.27Å; L6-L99 WeakPolarHBondContact O-CD1 3.29Å; L6-I100 PolarHBondContact O-N 2.63Å
7I95.8Very high90.6Very high65 Ų6542.9 Ų42.933%0.33326%0.262SS..EExtended strand (participates in β ladder)trans-115.4126179.1-56.4162.1000107.5I17 G18 I100I7-I17 VanDerWaalsContact O-CA 3.27Å; I7-I17 WeakPolarHBondContact O-CA 3.47Å; I7-I17 WeakPolarHBondContact O-CG1 3.43Å; I7-G18 PolarHBondContact N-O 2.75Å; I7-G18 PolarHBondContact O-N 2.92Å; I7-G18 VanDerWaalsContact O-N 3.08Å; I7-I100 WeakPolarHBondContact CA-O 3.27Å
8L96.7Very high90.8Very high1 Ų140.9 Ų40.91%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-130.5109.2-178.4172.257.6000110.5M10 L15 K16 I17 L78 L99 I100 V101 T102 F119L8-M10 HydrophobicContact CD1-CG 3.96Å; L8-M10 HydrophobicContact CD2-CG 3.72Å; L8-M10 HydrophobicContact CD2-SD 3.89Å; L8-M10 HydrophobicContact CG-CG 3.57Å; L8-M10 HydrophobicContact CG-SD 4.41Å; L8-L15 HydrophobicContact CD1-CD2 4.49Å; L8-K16 CarbonylContact C-O 3.59Å; L8-K16 WeakPolarHBondContact CA-O 3.44Å; L8-I17 HydrophobicContact CB-CD1 4.44Å; L8-I17 HydrophobicContact CB-CG1 4.35Å; L8-I17 HydrophobicContact CD1-CB 3.98Å; L8-I17 HydrophobicContact CD1-CD1 4.05Å; L8-I17 HydrophobicContact CD1-CG1 4.19Å; L8-L78 HydrophobicContact CD1-CD2 4.45Å; L8-L78 HydrophobicContact CD2-CD2 3.8Å; L8-L99 HydrophobicContact CB-CD1 3.86Å; L8-I100 PolarHBondContact N-O 2.93Å; L8-V101 HydrophobicContact CB-CG2 4.3Å; L8-V101 HydrophobicContact CD2-CG2 4.02Å; L8-V101 HydrophobicContact CG-CG2 4.08Å; L8-V101 CarbonylContact O-C 3.38Å; L8-V101 VanDerWaalsContact O-CA 3.26Å; L8-V101 WeakPolarHBondContact O-CA 3.38Å; L8-T102 PolarHBondContact O-N 3.11Å; L8-F119 HydrophobicContact CD2-CE1 4.19Å; L8-F119 HydrophobicContact CD2-CZ 3.77Å
9D95.8Very high91Very high32 Ų3239.1 Ų39.117%0.17124%0.24CC..EExtended strand (participates in β ladder)trans-86.8105165.9-17825.7000109.8G11 L15 K16 T102D9-G11 VanDerWaalsContact C-N 3.33Å; D9-G11 PolarHBondContact O-N 2.95Å; D9-G11 VanDerWaalsContact O-N 3.12Å; D9-L15 WeakPolarHBondContact O-CA 2.89Å; D9-K16 HydrophobicContact CB-CB 4.18Å; D9-K16 HydrophobicContact CB-CD 3.96Å; D9-K16 PolarHBondContact N-O 3.38Å; D9-K16 PolarHBondContact O-N 2.87Å; D9-K16 WeakPolarHBondContact OD2-CD 3.02Å; D9-K16 IonicContact OD2-NZ 3.87Å; D9-K16 PolarHBondContact OD2-NZ 3.42Å; D9-T102 VanDerWaalsContact CA-OG1 3.23Å; D9-T102 WeakPolarHBondContact CA-OG1 3.42Å; D9-T102 HydrophobicContact CB-CG2 4.1Å; D9-T102 WeakPolarHBondContact OD1-CB 3.4Å; D9-T102 WeakPolarHBondContact OD1-CG2 3.49Å; D9-T102 PolarHBondContact OD1-OG1 3.33Å
10M94.4Very high91Very high10 Ų1040.6 Ų40.65%0.04925%0.252CS..EExtended strand (participates in β ladder)trans-85.871.2178.3-63.8-163.4-59.100111.9L8 L15 F63 I68 V101 T102 M115 F119L8-M10 HydrophobicContact CD1-CG 3.96Å; L8-M10 HydrophobicContact CD2-CG 3.72Å; L8-M10 HydrophobicContact CD2-SD 3.89Å; L8-M10 HydrophobicContact CG-CG 3.57Å; L8-M10 HydrophobicContact CG-SD 4.41Å; M10-L15 HydrophobicContact CB-CD2 4.12Å; M10-L15 HydrophobicContact CG-CD2 4.16Å; M10-F63 HydrophobicContact CB-CZ 4.36Å; M10-F63 VanDerWaalsContact O-CZ 3.24Å; M10-F63 WeakPolarHBondContact O-CZ 3.29Å; M10-I68 HydrophobicContact CE-CD1 4.16Å; M10-V101 HydrophobicContact CE-CG2 3.34Å; M10-V101 HydrophobicContact CG-CG2 3.8Å; M10-V101 HydrophobicContact SD-CG2 3.87Å; M10-T102 PolarHBondContact N-OG1 3.29Å; M10-M115 HydrophobicContact CE-CE 3.25Å; M10-M115 HydrophobicContact CE-CG 4.38Å; M10-M115 HydrophobicContact CE-SD 3.75Å; M10-F119 HydrophobicContact CE-CE2 4.25Å; M10-F119 HydrophobicContact SD-CE2 4.36Å; M10-F119 HydrophobicContact SD-CZ 4.04Å
11G92.9Very high91Very high18 Ų1843.5 Ų43.519%0.18627%0.27CS..  trans-75.3148.7176.800000113.1D9 G13 S14 N30D9-G11 VanDerWaalsContact C-N 3.33Å; D9-G11 PolarHBondContact O-N 2.95Å; D9-G11 VanDerWaalsContact O-N 3.12Å; G11-G13 VanDerWaalsContact C-N 3.28Å; G11-G13 PolarHBondContact O-N 3.26Å; G11-S14 CarbonylContact C-O 3.59Å; G11-S14 WeakPolarHBondContact CA-O 3.14Å; G11-S14 PolarHBondContact N-O 2.68Å; G11-N30 WeakPolarHBondContact O-CB 3.39Å; G11-N30 PolarHBondContact O-ND2 3.2Å
12G91.4Very high92.7Very high13 Ų1334.3 Ų34.313%0.13423%0.225CC..SBendtrans-72.1-17179.900000115.3
13G91.5Very high93.4Very high22 Ų2235.1 Ų35.123%0.22722%0.222CC..SBendtrans-104.1-44.417400000112.1G11 N30G11-G13 VanDerWaalsContact C-N 3.28Å; G11-G13 PolarHBondContact O-N 3.26Å; G13-N30 PolarHBondContact O-N 3.17Å
14S94.5Very high93.8Very high35 Ų3540.6 Ų40.625%0.24524%0.243CC..EExtended strand (participates in β ladder)trans-138.6146.9177.356.30000111.6G11 I28G11-S14 CarbonylContact C-O 3.59Å; G11-S14 WeakPolarHBondContact CA-O 3.14Å; G11-S14 PolarHBondContact N-O 2.68Å; S14-I28 CarbonylContact C-O 3.53Å; S14-I28 WeakPolarHBondContact CA-O 3.39Å; S14-I28 WeakPolarHBondContact CB-O 3.33Å
15L95.4Very high93.9Very high0 Ų042.3 Ų42.30%025%0.254CS..EExtended strand (participates in β ladder)trans-88.3138.8166-59.6176.7000108.8L8 D9 M10 I27 I28 N30 I77 L78L8-L15 HydrophobicContact CD1-CD2 4.49Å; D9-L15 WeakPolarHBondContact O-CA 2.89Å; M10-L15 HydrophobicContact CB-CD2 4.12Å; M10-L15 HydrophobicContact CG-CD2 4.16Å; L15-I27 WeakPolarHBondContact O-CA 3.5Å; L15-I28 HydrophobicContact CB-CB 4.41Å; L15-I28 PolarHBondContact N-O 3.07Å; L15-I28 PolarHBondContact O-N 3.39Å; L15-N30 HydrophobicContact CD2-CB 4.13Å; L15-N30 HydrophobicContact CG-CB 3.82Å; L15-I77 HydrophobicContact CD1-CG2 3.54Å; L15-L78 HydrophobicContact CD1-CD2 4.34Å
16K95.7Very high93.9Very high74 Ų7444.6 Ų44.632%0.32226%0.261SS..EExtended strand (participates in β ladder)trans-117.9133.4162.1-53.3114.2-174.1-177.90109.2L8 D9 P25 K26 I27L8-K16 CarbonylContact C-O 3.59Å; L8-K16 WeakPolarHBondContact CA-O 3.44Å; D9-K16 HydrophobicContact CB-CB 4.18Å; D9-K16 HydrophobicContact CB-CD 3.96Å; D9-K16 PolarHBondContact N-O 3.38Å; D9-K16 PolarHBondContact O-N 2.87Å; D9-K16 WeakPolarHBondContact OD2-CD 3.02Å; D9-K16 IonicContact OD2-NZ 3.87Å; D9-K16 PolarHBondContact OD2-NZ 3.42Å; K16-P25 HydrophobicContact CB-CB 4.05Å; K16-P25 HydrophobicContact CB-CG 4.26Å; K16-K26 CarbonylContact C-O 3.57Å; K16-K26 VanDerWaalsContact CA-O 3.31Å; K16-K26 WeakPolarHBondContact CA-O 3.41Å; K16-I27 HydrophobicContact CG-CG1 4.05Å
17I95.5Very high93.9Very high1 Ų149.3 Ų49.31%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-147.8142-174.4-171.4172.8000111.4L6 I7 L8 K26 I28 T81 L82 I85L6-I17 HydrophobicContact CD1-CD1 4.14Å; L6-I17 HydrophobicContact CD1-CG1 3.9Å; L6-I17 HydrophobicContact CD2-CD1 4.35Å; L6-I17 HydrophobicContact CG-CD1 4.45Å; L6-I17 HydrophobicContact CG-CG1 4.47Å; I7-I17 VanDerWaalsContact O-CA 3.27Å; I7-I17 WeakPolarHBondContact O-CA 3.47Å; I7-I17 WeakPolarHBondContact O-CG1 3.43Å; L8-I17 HydrophobicContact CB-CD1 4.44Å; L8-I17 HydrophobicContact CB-CG1 4.35Å; L8-I17 HydrophobicContact CD1-CB 3.98Å; L8-I17 HydrophobicContact CD1-CD1 4.05Å; L8-I17 HydrophobicContact CD1-CG1 4.19Å; I17-K26 HydrophobicContact CG2-CB 4.36Å; I17-K26 PolarHBondContact N-O 2.93Å; I17-K26 PolarHBondContact O-N 3.49Å; I17-I28 HydrophobicContact CG2-CD1 4.17Å; I17-T81 HydrophobicContact CD1-CG2 4.12Å; I17-T81 HydrophobicContact CG2-CG2 3.68Å; I17-L82 HydrophobicContact CD1-CD2 3.56Å; I17-I85 HydrophobicContact CB-CD1 3.88Å; I17-I85 HydrophobicContact CD1-CD1 3.28Å; I17-I85 HydrophobicContact CG1-CD1 3.38Å; I17-I85 HydrophobicContact CG2-CD1 3.32Å; I17-I85 HydrophobicContact CG2-CG1 4.45Å
18G94.3Very high93.8Very high7 Ų746.5 Ų46.57%0.07227%0.271CS..EExtended strand (participates in β ladder)trans-178.2164.7176.700000111.4I7I7-G18 PolarHBondContact N-O 2.75Å; I7-G18 PolarHBondContact O-N 2.92Å; I7-G18 VanDerWaalsContact O-N 3.08Å
19F94.1Very high93.6Very high6 Ų648.6 Ų48.63%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-77.1156170.8-73.3-77000110.7P4 T5 L6 T21 D22 I85 N89 Q91 H97P4-F19 HydrophobicContact CB-CB 4.24Å; P4-F19 HydrophobicContact CB-CD1 3.92Å; P4-F19 HydrophobicContact CB-CG 4.39Å; P4-F19 HydrophobicContact CG-CD1 3.82Å; P4-F19 HydrophobicContact CG-CE1 4.25Å; P4-F19 HydrophobicContact CG-CG 4.38Å; T5-F19 CarbonylContact O-C 3.55Å; T5-F19 WeakPolarHBondContact O-CA 3.14Å; L6-F19 HydrophobicContact CB-CD1 4.4Å; L6-F19 HydrophobicContact CB-CE1 4.28Å; L6-F19 HydrophobicContact CD1-CD1 4.31Å; L6-F19 HydrophobicContact CD1-CE1 4.24Å; L6-F19 HydrophobicContact CD1-CZ 4.39Å; F19-T21 PolarHBondContact O-N 2.86Å; F19-D22 PolarHBondContact N-OD2 3.39Å; F19-D22 WeakPolarHBondContact O-CB 3.24Å; F19-D22 PolarHBondContact O-N 3.16Å; F19-I85 HydrophobicContact CD2-CG2 4.12Å; F19-I85 HydrophobicContact CE2-CG2 3.55Å; F19-I85 HydrophobicContact CZ-CG2 4.33Å; F19-N89 HydrophobicContact CD2-CB 4.2Å; F19-N89 WeakPolarHBondContact CD2-ND2 3.28Å; F19-N89 HydrophobicContact CE2-CB 3.82Å; F19-Q91 HydrophobicContact CE2-CG 4.44Å; F19-Q91 HydrophobicContact CZ-CG 4.18Å; F19-H97 AromaticContact CE1-CE1 3.93Å; F19-H97 AromaticContact CE1-CG 3.95Å; F19-H97 AromaticContact CE1-ND1 3.73Å
20S92.1Very high93.6Very high69 Ų6947 Ų4748%0.48327%0.273SS..THydrogen-bonded Turntrans-59.4-16.9175.6600000114T5T5-S20 PolarHBondContact N-OG 3.14Å; T5-S20 PolarHBondContact O-N 2.96Å
21T91.4Very high93.6Very high102 Ų10247 Ų4763%0.62627%0.274SS*.THydrogen-bonded Turntrans-88.4-13.2175.5480000113.4P4 F19P4-T21 HydrophobicContact CB-CG2 4.15Å; F19-T21 PolarHBondContact O-N 2.86Å
22D91.9Very high93.7Very high49 Ų4946.4 Ų46.426%0.26227%0.267SS..  trans-78.3138.3-176.9-62.9-17.9000110.2F19 H24F19-D22 PolarHBondContact N-OD2 3.39Å; F19-D22 WeakPolarHBondContact O-CB 3.24Å; F19-D22 PolarHBondContact O-N 3.16Å; D22-H24 VanDerWaalsContact C-N 3.34Å; D22-H24 PolarHBondContact O-N 3.48Å
23P92.1Very high93.7Very high117 Ų11746.2 Ų46.276%0.7626%0.262SS*.SBendtrans-70.3-32.4-179.727.3-34.1000112.6
24H93.3Very high93.6Very high155 Ų15549.7 Ų49.772%0.71827%0.271SS*.SBendtrans-140.4141-178.7-61-55.6000110D22D22-H24 VanDerWaalsContact C-N 3.34Å; D22-H24 PolarHBondContact O-N 3.48Å
25P94.1Very high93.2Very high71 Ų7148 Ų4846%0.46126%0.26SS..PPolyproline II helixtrans-73.9151.6175.632.8-35.3000110.5K16K16-P25 HydrophobicContact CB-CB 4.05Å; K16-P25 HydrophobicContact CB-CG 4.26Å
26K94Very high92.5Very high86 Ų8655.4 Ų55.437%0.37429%0.292SS..EExtended strand (participates in β ladder)trans-75129.3165.8-169.8173-179.81740109.2K16 I17 I28 S84K16-K26 CarbonylContact C-O 3.57Å; K16-K26 VanDerWaalsContact CA-O 3.31Å; K16-K26 WeakPolarHBondContact CA-O 3.41Å; I17-K26 HydrophobicContact CG2-CB 4.36Å; I17-K26 PolarHBondContact N-O 2.93Å; I17-K26 PolarHBondContact O-N 3.49Å; K26-I28 HydrophobicContact CD-CD1 4.14Å; K26-I28 HydrophobicContact CD-CG1 4.39Å; K26-I28 HydrophobicContact CG-CD1 4.23Å; K26-I28 HydrophobicContact CG-CG1 4.08Å; K26-S84 PolarHBondContact NZ-OG 3.01Å
27I94.4Very high91.8Very high102 Ų10255.3 Ų55.352%0.52330%0.297SS..EExtended strand (participates in β ladder)trans-101.8128.7178.1-54.5177.9000108.3L15 K16 N46L15-I27 WeakPolarHBondContact O-CA 3.5Å; K16-I27 HydrophobicContact CG-CG1 4.05Å; I27-N46 PolarHBondContact O-ND2 2.92Å
28I94.4Very high91.1Very high7 Ų758.8 Ų58.84%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-132.7136.3-175.7-57.8167.7000109.7S14 L15 I17 K26 N30 N46 T81S14-I28 CarbonylContact C-O 3.53Å; S14-I28 WeakPolarHBondContact CA-O 3.39Å; S14-I28 WeakPolarHBondContact CB-O 3.33Å; L15-I28 HydrophobicContact CB-CB 4.41Å; L15-I28 PolarHBondContact N-O 3.07Å; L15-I28 PolarHBondContact O-N 3.39Å; I17-I28 HydrophobicContact CG2-CD1 4.17Å; K26-I28 HydrophobicContact CD-CD1 4.14Å; K26-I28 HydrophobicContact CD-CG1 4.39Å; K26-I28 HydrophobicContact CG-CD1 4.23Å; K26-I28 HydrophobicContact CG-CG1 4.08Å; I28-N30 PolarHBondContact O-N 3.34Å; I28-N46 VanDerWaalsContact CA-OD1 3.23Å; I28-N46 WeakPolarHBondContact CA-OD1 3.42Å; I28-T81 HydrophobicContact CD1-CG2 3.28Å; I28-T81 WeakPolarHBondContact CD1-OG1 3.31Å
29D93Very high90.5Very high44 Ų4462.3 Ų62.324%0.23535%0.352CS..EExtended strand (participates in β ladder)trans-62125.4172.6-72.8-44.2000110.8S31 G45 N46D29-S31 PolarHBondContact O-N 2.94Å; D29-G45 WeakPolarHBondContact O-CA 3.46Å; D29-N46 PolarHBondContact N-OD1 3.33Å; D29-N46 VanDerWaalsContact N-OD1 3.12Å
30N95.5Very high89.9Confident0 Ų064 Ų640%037%0.371CS..SBendtrans-8557.8-179.7-16315.4000111.2G11 G13 L15 I28 P62 F63 Q74 I77G11-N30 WeakPolarHBondContact O-CB 3.39Å; G11-N30 PolarHBondContact O-ND2 3.2Å; G13-N30 PolarHBondContact O-N 3.17Å; L15-N30 HydrophobicContact CD2-CB 4.13Å; L15-N30 HydrophobicContact CG-CB 3.82Å; I28-N30 PolarHBondContact O-N 3.34Å; N30-P62 WeakPolarHBondContact O-CD 3.45Å; N30-F63 VanDerWaalsContact ND2-CD2 3.3Å; N30-F63 WeakPolarHBondContact ND2-CD2 3.38Å; N30-F63 WeakPolarHBondContact ND2-CE2 3.49Å; N30-Q74 PolarHBondContact ND2-OE1 2.95Å; N30-Q74 PolarHBondContact OD1-NE2 2.64Å; N30-Q74 PolarHBondContact OD1-OE1 2.8Å; N30-I77 WeakPolarHBondContact OD1-CD1 3.36Å
31S94.3Very high89.7Confident10 Ų1066.9 Ų66.97%0.0737%0.371CS..SBendtrans-155.4162-178.4610000112.1D29 F33 G45 V60D29-S31 PolarHBondContact O-N 2.94Å; S31-F33 WeakPolarHBondContact OG-CE2 3.5Å; S31-F33 VanDerWaalsContact OG-CZ 3.27Å; S31-F33 WeakPolarHBondContact OG-CZ 3.35Å; S31-G45 PolarHBondContact O-N 2.87Å; S31-V60 WeakPolarHBondContact CA-O 3.46Å; S31-V60 WeakPolarHBondContact CB-O 3.34Å
32I94.3Very high89.7Confident4 Ų464.8 Ų64.82%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-115.2123.9172.4-62.1-177.5000107.8T42 F43 V44 V60 V73 Q76 I77I32-T42 HydrophobicContact CG2-CG2 3.19Å; I32-F43 WeakPolarHBondContact CA-O 3.25Å; I32-V44 HydrophobicContact CD1-CG2 4.44Å; I32-V44 HydrophobicContact CG1-CG1 4.39Å; I32-V44 HydrophobicContact CG1-CG2 4.33Å; I32-V60 HydrophobicContact CB-CB 4.32Å; I32-V60 PolarHBondContact N-O 3.37Å; I32-V60 PolarHBondContact O-N 2.93Å; I32-V73 HydrophobicContact CD1-CG1 3.92Å; I32-V73 HydrophobicContact CG1-CG1 4.23Å; I32-Q76 HydrophobicContact CD1-CB 3.93Å; I32-Q76 VanDerWaalsContact CD1-OE1 3.22Å; I32-I77 HydrophobicContact CD1-CG1 4.13Å; I32-I77 HydrophobicContact CG1-CD1 4.04Å; I32-I77 HydrophobicContact CG1-CG1 3.7Å
33F91.6Very high89.7Confident9 Ų962.5 Ų62.54%0.03935%0.346CS..EExtended strand (participates in β ladder)trans-101.4133.4176.5-64.6-80.9000110.6S31 T42 F43 I48 L57 F58 C59 Y208S31-F33 WeakPolarHBondContact OG-CE2 3.5Å; S31-F33 VanDerWaalsContact OG-CZ 3.27Å; S31-F33 WeakPolarHBondContact OG-CZ 3.35Å; F33-T42 CarbonylContact O-C 3.56Å; F33-T42 WeakPolarHBondContact O-CA 3.4Å; F33-F43 HydrophobicContact CB-CB 4.46Å; F33-F43 PolarHBondContact N-O 3.1Å; F33-F43 PolarHBondContact O-N 2.9Å; F33-I48 HydrophobicContact CB-CD1 3.7Å; F33-I48 HydrophobicContact CD2-CB 3.96Å; F33-I48 HydrophobicContact CD2-CD1 3.9Å; F33-I48 HydrophobicContact CD2-CG1 3.76Å; F33-I48 HydrophobicContact CE2-CB 4.38Å; F33-I48 HydrophobicContact CE2-CG1 4.2Å; F33-I48 HydrophobicContact CG-CD1 3.86Å; F33-I48 HydrophobicContact CG-CG1 4.18Å; F33-L57 HydrophobicContact CB-CD2 4.26Å; F33-L57 HydrophobicContact CD1-CB 4.1Å; F33-L57 HydrophobicContact CD1-CD1 4.16Å; F33-F58 CarbonylContact C-O 3.51Å; F33-F58 WeakPolarHBondContact CA-O 3.38Å; F33-C59 HydrophobicContact CD1-CB 3.87Å; F33-C59 HydrophobicContact CE1-CB 3.67Å; F33-C59 VanDerWaalsContact CE1-SG 3.55Å; F33-Y208 HydrophobicContact CE1-CD2 4.16Å; F33-Y208 HydrophobicContact CE2-CD2 4.17Å; F33-Y208 HydrophobicContact CE2-CE2 4.4Å; F33-Y208 AromaticContact CZ-CD2 3.57Å; F33-Y208 HydrophobicContact CZ-CD2 3.57Å; F33-Y208 HydrophobicContact CZ-CE2 4.21Å; F33-Y208 HydrophobicContact CZ-CG 4.34Å
34K90.5Very high89.8Confident95 Ų9557.8 Ų57.841%0.41332%0.315SS..EExtended strand (participates in β ladder)trans-112.7120171.1-59.7-172.8178.6-176.10109.1R41 T42 F58K34-R41 WeakPolarHBondContact CA-O 3.48Å; K34-T42 HydrophobicContact CG-CG2 4.39Å; K34-F58 HydrophobicContact CB-CB 4.36Å; K34-F58 PolarHBondContact N-O 2.91Å; K34-F58 PolarHBondContact O-N 3.46Å
35S85.3Confident89.6Confident1 Ų150.5 Ų50.51%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-82.8122.8178173.20000110.8T37 L38 G40 R41S35-T37 VanDerWaalsContact C-N 3.33Å; S35-T37 PolarHBondContact OG-N 3.17Å; S35-T37 PolarHBondContact OG-OG1 3.25Å; S35-L38 WeakPolarHBondContact OG-CB 3.35Å; S35-L38 WeakPolarHBondContact OG-CG 3.12Å; S35-L38 PolarHBondContact OG-N 3.32Å; S35-G40 WeakPolarHBondContact O-CA 3.46Å; S35-G40 PolarHBondContact O-N 3.06Å; S35-R41 PolarHBondContact N-O 2.86Å
36K81.2Confident89.4Confident155 Ų15549.1 Ų49.167%0.67427%0.27SS*.THydrogen-bonded Turntrans-71.8-30172.8-70.3-178.6179.1177.30112.3
37T80.1Confident89.2Confident71 Ų7148 Ų4844%0.43627%0.266SS..THydrogen-bonded Turntrans-80.4-30-176.953.90000112.1S35 G39S35-T37 VanDerWaalsContact C-N 3.33Å; S35-T37 PolarHBondContact OG-N 3.17Å; S35-T37 PolarHBondContact OG-OG1 3.25Å; T37-G39 PolarHBondContact O-N 3.12Å
38L82.1Confident88.7Confident74 Ų7443.2 Ų43.239%0.38724%0.242SC..THydrogen-bonded Turntrans-98.443.7178.6-58.1175.1000112.5S35 G40 R41 F43S35-L38 WeakPolarHBondContact OG-CB 3.35Å; S35-L38 WeakPolarHBondContact OG-CG 3.12Å; S35-L38 PolarHBondContact OG-N 3.32Å; L38-G40 PolarHBondContact O-N 2.99Å; L38-G40 VanDerWaalsContact O-N 3.1Å; L38-R41 HydrophobicContact CB-CB 4.2Å; L38-R41 WeakPolarHBondContact O-CB 3.18Å; L38-R41 PolarHBondContact O-N 2.87Å; L38-F43 HydrophobicContact CD1-CE2 4.3Å; L38-F43 HydrophobicContact CD1-CZ 3.93Å
39G80.8Confident88.2Confident81 Ų8150 Ų5084%0.83527%0.273SS*.THydrogen-bonded Turntrans60.125.8173.300000115.1T37T37-G39 PolarHBondContact O-N 3.12Å
40G81.8Confident87.8Confident41 Ų4153.5 Ų53.542%0.42329%0.288SS..THydrogen-bonded Turntrans83.712.9-178.400000114.8S35 L38 T42S35-G40 WeakPolarHBondContact O-CA 3.46Å; S35-G40 PolarHBondContact O-N 3.06Å; L38-G40 PolarHBondContact O-N 2.99Å; L38-G40 VanDerWaalsContact O-N 3.1Å; G40-T42 PolarHBondContact O-N 3.47Å
41R88.6Confident87.2Confident131 Ų13153.9 Ų53.949%0.49429%0.291SS..  trans-52.3134.5175.1-174.8171.6177.6-174.1-2.6110.5K34 S35 L38 F43K34-R41 WeakPolarHBondContact CA-O 3.48Å; S35-R41 PolarHBondContact N-O 2.86Å; L38-R41 HydrophobicContact CB-CB 4.2Å; L38-R41 WeakPolarHBondContact O-CB 3.18Å; L38-R41 PolarHBondContact O-N 2.87Å; R41-F43 HydrophobicContact CB-CE2 4.17Å; R41-F43 HydrophobicContact CB-CZ 4.3Å; R41-F43 HydrophobicContact CG-CE1 4.28Å; R41-F43 HydrophobicContact CG-CE2 4.01Å; R41-F43 HydrophobicContact CG-CZ 3.81Å
42T91Very high86.5Confident58 Ų5859 Ų5936%0.35632%0.317SS..EExtended strand (participates in β ladder)trans-100.8138.6-178.9-59.40000109.6I32 F33 K34 G40 V44I32-T42 HydrophobicContact CG2-CG2 3.19Å; F33-T42 CarbonylContact O-C 3.56Å; F33-T42 WeakPolarHBondContact O-CA 3.4Å; K34-T42 HydrophobicContact CG-CG2 4.39Å; G40-T42 PolarHBondContact O-N 3.47Å; T42-V44 HydrophobicContact CG2-CG2 4.48Å
43F91.9Very high85.7Confident1 Ų161 Ų610%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-126.6122.8177.1-57.5-87.1000108.1I32 F33 L38 R41 E47 I48 C51I32-F43 WeakPolarHBondContact CA-O 3.25Å; F33-F43 HydrophobicContact CB-CB 4.46Å; F33-F43 PolarHBondContact N-O 3.1Å; F33-F43 PolarHBondContact O-N 2.9Å; L38-F43 HydrophobicContact CD1-CE2 4.3Å; L38-F43 HydrophobicContact CD1-CZ 3.93Å; R41-F43 HydrophobicContact CB-CE2 4.17Å; R41-F43 HydrophobicContact CB-CZ 4.3Å; R41-F43 HydrophobicContact CG-CE1 4.28Å; R41-F43 HydrophobicContact CG-CE2 4.01Å; R41-F43 HydrophobicContact CG-CZ 3.81Å; F43-E47 HydrophobicContact CB-CB 4.15Å; F43-E47 HydrophobicContact CD1-CB 4.4Å; F43-E47 VanDerWaalsContact CD1-O 3.26Å; F43-E47 WeakPolarHBondContact CD1-O 3.47Å; F43-I48 HydrophobicContact CB-CB 4.41Å; F43-I48 HydrophobicContact CB-CD1 4.17Å; F43-I48 HydrophobicContact CD2-CD1 4.25Å; F43-I48 HydrophobicContact CG-CD1 4.26Å; F43-C51 HydrophobicContact CD1-CB 4.24Å; F43-C51 HydrophobicContact CD2-CB 4.32Å; F43-C51 HydrophobicContact CE1-CB 3.83Å; F43-C51 HydrophobicContact CE2-CB 3.95Å; F43-C51 VanDerWaalsContact CE2-SG 3.51Å; F43-C51 HydrophobicContact CG-CB 4.46Å; F43-C51 HydrophobicContact CZ-CB 3.67Å; F43-C51 VanDerWaalsContact CZ-SG 3.55Å
44V92.9Very high85.2Confident18 Ų1861.3 Ų61.311%0.10933%0.33CS..EExtended strand (participates in β ladder)trans-100.6118.6-177.4-176.90000109.7I32 T42 N46 E47 I77 T80I32-V44 HydrophobicContact CD1-CG2 4.44Å; I32-V44 HydrophobicContact CG1-CG1 4.39Å; I32-V44 HydrophobicContact CG1-CG2 4.33Å; T42-V44 HydrophobicContact CG2-CG2 4.48Å; V44-N46 PolarHBondContact O-N 2.98Å; V44-E47 PolarHBondContact N-OE2 3.48Å; V44-E47 WeakPolarHBondContact O-CB 3.39Å; V44-E47 WeakPolarHBondContact O-CG 3.46Å; V44-E47 PolarHBondContact O-N 3.07Å; V44-I77 HydrophobicContact CG1-CB 4.2Å; V44-I77 HydrophobicContact CG1-CG1 3.92Å; V44-I77 HydrophobicContact CG1-CG2 4.5Å; V44-T80 HydrophobicContact CB-CG2 4.39Å; V44-T80 HydrophobicContact CG1-CG2 4.34Å
45G90.3Very high84.7Confident1 Ų158.2 Ų58.21%0.0132%0.32CS..G310 helixtrans52.8-125.6-176.900000112.4D29 S31 E47 I48D29-G45 WeakPolarHBondContact O-CA 3.46Å; S31-G45 PolarHBondContact O-N 2.87Å; G45-E47 PolarHBondContact O-N 2.94Å; G45-E47 VanDerWaalsContact O-N 3.09Å; G45-I48 WeakPolarHBondContact O-CB 3.08Å; G45-I48 VanDerWaalsContact O-CG2 3.31Å; G45-I48 WeakPolarHBondContact O-CG2 3.45Å; G45-I48 PolarHBondContact O-N 3.37Å; G45-I48 VanDerWaalsContact O-N 3.16Å
46N88.5Confident84.4Confident42 Ų4260.3 Ų60.323%0.22534%0.335CS..G310 helixtrans-70.2-5.4-175-624.4000114.2I27 I28 D29 V44 I48 E49I27-N46 PolarHBondContact O-ND2 2.92Å; I28-N46 VanDerWaalsContact CA-OD1 3.23Å; I28-N46 WeakPolarHBondContact CA-OD1 3.42Å; D29-N46 PolarHBondContact N-OD1 3.33Å; D29-N46 VanDerWaalsContact N-OD1 3.12Å; V44-N46 PolarHBondContact O-N 2.98Å; N46-I48 PolarHBondContact O-N 3.31Å; N46-I48 VanDerWaalsContact O-N 3.08Å; N46-E49 WeakPolarHBondContact O-CB 3.47Å; N46-E49 WeakPolarHBondContact O-CG 3.24Å; N46-E49 PolarHBondContact O-N 3.37Å
47E90.5Very high84.6Confident63 Ų6353.9 Ų53.929%0.29431%0.308SS..G310 helixtrans-58.4-19.1167.8-67.1178.3167.800111.9F43 V44 G45 E49 Q50F43-E47 HydrophobicContact CB-CB 4.15Å; F43-E47 HydrophobicContact CD1-CB 4.4Å; F43-E47 VanDerWaalsContact CD1-O 3.26Å; F43-E47 WeakPolarHBondContact CD1-O 3.47Å; V44-E47 PolarHBondContact N-OE2 3.48Å; V44-E47 WeakPolarHBondContact O-CB 3.39Å; V44-E47 WeakPolarHBondContact O-CG 3.46Å; V44-E47 PolarHBondContact O-N 3.07Å; G45-E47 PolarHBondContact O-N 2.94Å; G45-E47 VanDerWaalsContact O-N 3.09Å; E47-E49 PolarHBondContact O-N 3.11Å; E47-Q50 VanDerWaalsContact O-CB 3.28Å; E47-Q50 WeakPolarHBondContact O-CB 3.31Å; E47-Q50 PolarHBondContact O-N 3.19Å
48I84.8Confident85Confident1 Ų156.2 Ų56.21%0.00531%0.312CS..G310 helixtrans-57.2-26.8173.2-164.254.2000113F33 F43 G45 N46 Q50 C51 L54 L57 Y208F33-I48 HydrophobicContact CB-CD1 3.7Å; F33-I48 HydrophobicContact CD2-CB 3.96Å; F33-I48 HydrophobicContact CD2-CD1 3.9Å; F33-I48 HydrophobicContact CD2-CG1 3.76Å; F33-I48 HydrophobicContact CE2-CB 4.38Å; F33-I48 HydrophobicContact CE2-CG1 4.2Å; F33-I48 HydrophobicContact CG-CD1 3.86Å; F33-I48 HydrophobicContact CG-CG1 4.18Å; F43-I48 HydrophobicContact CB-CB 4.41Å; F43-I48 HydrophobicContact CB-CD1 4.17Å; F43-I48 HydrophobicContact CD2-CD1 4.25Å; F43-I48 HydrophobicContact CG-CD1 4.26Å; G45-I48 WeakPolarHBondContact O-CB 3.08Å; G45-I48 VanDerWaalsContact O-CG2 3.31Å; G45-I48 WeakPolarHBondContact O-CG2 3.45Å; G45-I48 PolarHBondContact O-N 3.37Å; G45-I48 VanDerWaalsContact O-N 3.16Å; N46-I48 PolarHBondContact O-N 3.31Å; N46-I48 VanDerWaalsContact O-N 3.08Å; I48-Q50 PolarHBondContact O-N 3.48Å; I48-C51 HydrophobicContact CD1-CB 3.87Å; I48-C51 WeakPolarHBondContact O-CB 3.37Å; I48-C51 PolarHBondContact O-N 2.85Å; I48-L54 HydrophobicContact CD1-CD2 3.7Å; I48-L54 HydrophobicContact CG1-CD2 3.71Å; I48-L57 HydrophobicContact CD1-CD1 3.83Å; I48-L57 HydrophobicContact CD1-CD2 4.15Å; I48-Y208 HydrophobicContact CG2-CE2 4.43Å
49E84Confident85.4Confident150 Ų15054.1 Ų54.170%0.70130%0.304SS*.G310 helixtrans-64.4-22.8174.8-63.4176.7174.500112.5N46 E47N46-E49 WeakPolarHBondContact O-CB 3.47Å; N46-E49 WeakPolarHBondContact O-CG 3.24Å; N46-E49 PolarHBondContact O-N 3.37Å; E47-E49 PolarHBondContact O-N 3.11Å
50Q84.4Confident85.9Confident117 Ų11751.9 Ų51.955%0.54727%0.274SS..G310 helixtrans-82.6-5.2174.5-52.5172.911.100112.3E47 I48 N52E47-Q50 VanDerWaalsContact O-CB 3.28Å; E47-Q50 WeakPolarHBondContact O-CB 3.31Å; E47-Q50 PolarHBondContact O-N 3.19Å; I48-Q50 PolarHBondContact O-N 3.48Å; Q50-N52 PolarHBondContact O-N 3.49Å
51C81.6Confident86.5Confident9 Ų952.3 Ų52.36%0.06127%0.265CS..  trans-82.2107.2178.8-165.90000109.4F43 I48 N53 L54F43-C51 HydrophobicContact CD1-CB 4.24Å; F43-C51 HydrophobicContact CD2-CB 4.32Å; F43-C51 HydrophobicContact CE1-CB 3.83Å; F43-C51 HydrophobicContact CE2-CB 3.95Å; F43-C51 VanDerWaalsContact CE2-SG 3.51Å; F43-C51 HydrophobicContact CG-CB 4.46Å; F43-C51 HydrophobicContact CZ-CB 3.67Å; F43-C51 VanDerWaalsContact CZ-SG 3.55Å; I48-C51 HydrophobicContact CD1-CB 3.87Å; I48-C51 WeakPolarHBondContact O-CB 3.37Å; I48-C51 PolarHBondContact O-N 2.85Å; C51-N53 PolarHBondContact O-N 2.81Å; C51-N53 PolarHBondContact SG-O 3.09Å; C51-L54 HydrophobicContact CB-CD2 3.84Å
52N79.7Confident86.8Confident117 Ų11746 Ų4663%0.62624%0.242SC*.SBendtrans-62.7-28.2179.5-65.1-9.3000112.6Q50 Y249Q50-N52 PolarHBondContact O-N 3.49Å; N52-Y249 WeakPolarHBondContact O-CB 3.42Å; N52-Y249 WeakPolarHBondContact O-CD1 3.16Å
53N79.1Confident86.9Confident47 Ų4744.1 Ų44.125%0.25123%0.228SC..  trans-129.2103.1-177.2-174.9-15.2000111.1C51 S55 Y249C51-N53 PolarHBondContact O-N 2.81Å; C51-N53 PolarHBondContact SG-O 3.09Å; N53-S55 VanDerWaalsContact C-N 3.27Å; N53-S55 PolarHBondContact O-N 2.97Å; N53-S55 VanDerWaalsContact OD1-CB 3.26Å; N53-S55 WeakPolarHBondContact OD1-CB 3.42Å; N53-S55 PolarHBondContact OD1-N 2.88Å; N53-S55 PolarHBondContact OD1-OG 2.77Å; N53-Y249 HydrophobicContact CB-CD2 4.37Å; N53-Y249 HydrophobicContact CB-CG 4.29Å; N53-Y249 WeakPolarHBondContact OD1-CD2 3.44Å; N53-Y249 VanDerWaalsContact OD1-CE2 3.29Å; N53-Y249 WeakPolarHBondContact OD1-CE2 3.36Å
54L81.1Confident86.9Confident15 Ų1550.5 Ų50.58%0.07926%0.256CS..  trans-83.96.2-178.8-51.7167.8000113.7I48 C51 L57 Y208 Y249I48-L54 HydrophobicContact CD1-CD2 3.7Å; I48-L54 HydrophobicContact CG1-CD2 3.71Å; C51-L54 HydrophobicContact CB-CD2 3.84Å; L54-L57 HydrophobicContact CB-CD1 3.89Å; L54-L57 HydrophobicContact CD2-CD1 4.03Å; L54-L57 WeakPolarHBondContact O-CD1 3.21Å; L54-L57 VanDerWaalsContact O-CG 3.26Å; L54-L57 WeakPolarHBondContact O-CG 3.29Å; L54-Y208 HydrophobicContact CD1-CD1 4.16Å; L54-Y208 HydrophobicContact CD1-CE1 4.01Å; L54-Y249 VanDerWaalsContact C-OH 3.23Å; L54-Y249 WeakPolarHBondContact CA-OH 3.43Å; L54-Y249 HydrophobicContact CB-CE1 3.56Å; L54-Y249 VanDerWaalsContact CB-OH 3.3Å; L54-Y249 WeakPolarHBondContact CB-OH 3.43Å; L54-Y249 HydrophobicContact CD1-CE1 4.07Å; L54-Y249 HydrophobicContact CG-CE1 3.74Å
55S78.8Confident86.8Confident29 Ų2957.1 Ų57.120%0.20328%0.283CS..THydrogen-bonded Turntrans-71.7146.617965.50000112.1N53 L57 Y249N53-S55 VanDerWaalsContact C-N 3.27Å; N53-S55 PolarHBondContact O-N 2.97Å; N53-S55 VanDerWaalsContact OD1-CB 3.26Å; N53-S55 WeakPolarHBondContact OD1-CB 3.42Å; N53-S55 PolarHBondContact OD1-N 2.88Å; N53-S55 PolarHBondContact OD1-OG 2.77Å; S55-L57 PolarHBondContact O-N 3.38Å; S55-L57 VanDerWaalsContact O-N 3.15Å; S55-Y249 PolarHBondContact N-OH 3.39Å
56S80.2Confident86.8Confident45 Ų4557.6 Ų57.632%0.31529%0.289SS..THydrogen-bonded Turntrans53.737.5172.1-67.40000114.5E206S56-E206 PolarHBondContact N-OE1 3.37Å; S56-E206 VanDerWaalsContact N-OE1 3.14Å
57L85.5Confident87.1Confident21 Ų2157.8 Ų57.811%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-72136.3175.3-65.8166.4000110.9F33 I48 L54 S55F33-L57 HydrophobicContact CB-CD2 4.26Å; F33-L57 HydrophobicContact CD1-CB 4.1Å; F33-L57 HydrophobicContact CD1-CD1 4.16Å; I48-L57 HydrophobicContact CD1-CD1 3.83Å; I48-L57 HydrophobicContact CD1-CD2 4.15Å; L54-L57 HydrophobicContact CB-CD1 3.89Å; L54-L57 HydrophobicContact CD2-CD1 4.03Å; L54-L57 WeakPolarHBondContact O-CD1 3.21Å; L54-L57 VanDerWaalsContact O-CG 3.26Å; L54-L57 WeakPolarHBondContact O-CG 3.29Å; S55-L57 PolarHBondContact O-N 3.38Å; S55-L57 VanDerWaalsContact O-N 3.15Å
58F87.4Confident87.3Confident119 Ų11955.5 Ų55.552%0.52228%0.276SS..EExtended strand (participates in β ladder)trans-93.1113.3165.4-176.1-106.7000109.3F33 K34 V60F33-F58 CarbonylContact C-O 3.51Å; F33-F58 WeakPolarHBondContact CA-O 3.38Å; K34-F58 HydrophobicContact CB-CB 4.36Å; K34-F58 PolarHBondContact N-O 2.91Å; K34-F58 PolarHBondContact O-N 3.46Å; F58-V60 HydrophobicContact CD1-CG2 3.68Å; F58-V60 HydrophobicContact CE1-CG2 3.43Å; F58-V60 VanDerWaalsContact CE1-CG2 3.43Å; F58-V60 HydrophobicContact CZ-CG2 4.49Å
59C89.8Confident87.7Confident31 Ų3161.2 Ų61.221%0.20931%0.307CS..EExtended strand (participates in β ladder)trans-91.5121.5179.4-175.80000110.4F33F33-C59 HydrophobicContact CD1-CB 3.87Å; F33-C59 HydrophobicContact CE1-CB 3.67Å; F33-C59 VanDerWaalsContact CE1-SG 3.55Å
60V92.2Very high88.2Confident34 Ų3456.6 Ų56.621%0.20629%0.287CS..EExtended strand (participates in β ladder)trans-104.8123.9171.5-176.20000107.9S31 I32 F58 V73S31-V60 WeakPolarHBondContact CA-O 3.46Å; S31-V60 WeakPolarHBondContact CB-O 3.34Å; I32-V60 HydrophobicContact CB-CB 4.32Å; I32-V60 PolarHBondContact N-O 3.37Å; I32-V60 PolarHBondContact O-N 2.93Å; F58-V60 HydrophobicContact CD1-CG2 3.68Å; F58-V60 HydrophobicContact CE1-CG2 3.43Å; F58-V60 VanDerWaalsContact CE1-CG2 3.43Å; F58-V60 HydrophobicContact CZ-CG2 4.49Å; V60-V73 HydrophobicContact CG1-CG1 4.12Å; V60-V73 HydrophobicContact CG1-CG2 3.8Å
61M93.3Very high88.7Confident49 Ų4953.3 Ų53.324%0.24127%0.269CS..  trans-116.6136.3179.4-69.1174-108.400110F63 Y160M61-F63 VanDerWaalsContact C-N 3.29Å; M61-Y160 HydrophobicContact SD-CE1 4.15Å; M61-Y160 PolarHBondContact SD-OH 3.5Å; M61-Y160 VanDerWaalsContact SD-OH 3.37Å
62P95.7Very high89.4Confident0 Ų059.3 Ų59.30%030%0.297CS..SBendtrans-71-28.717324.7-27.2000111.9N30 N69 N70 V73 Q74 I77N30-P62 WeakPolarHBondContact O-CD 3.45Å; P62-N69 PolarHBondContact O-N 2.82Å; P62-N70 WeakPolarHBondContact CB-O 3.35Å; P62-N70 PolarHBondContact O-N 3.41Å; P62-V73 HydrophobicContact CB-CB 4.22Å; P62-V73 HydrophobicContact CB-CG1 3.96Å; P62-V73 HydrophobicContact CG-CG1 4.17Å; P62-Q74 HydrophobicContact CB-CB 3.8Å; P62-Q74 HydrophobicContact CG-CB 4.35Å; P62-I77 HydrophobicContact CG-CD1 3.87Å
63F94Very high90.2Very high17 Ų1754.3 Ų54.38%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-87.9135.7-179.6-80.1-102.6000113M10 N30 M61 Y67 I68 Q74M10-F63 HydrophobicContact CB-CZ 4.36Å; M10-F63 VanDerWaalsContact O-CZ 3.24Å; M10-F63 WeakPolarHBondContact O-CZ 3.29Å; N30-F63 VanDerWaalsContact ND2-CD2 3.3Å; N30-F63 WeakPolarHBondContact ND2-CD2 3.38Å; N30-F63 WeakPolarHBondContact ND2-CE2 3.49Å; M61-F63 VanDerWaalsContact C-N 3.29Å; F63-Y67 CarbonylContact C-O 3.44Å; F63-Y67 VanDerWaalsContact CA-O 3.25Å; F63-Y67 WeakPolarHBondContact CA-O 3.44Å; F63-I68 HydrophobicContact CD1-CG1 4.24Å; F63-I68 HydrophobicContact CD2-CG1 4.11Å; F63-I68 HydrophobicContact CE1-CG1 3.7Å; F63-I68 HydrophobicContact CE2-CD1 4.14Å; F63-I68 HydrophobicContact CE2-CG1 3.52Å; F63-I68 HydrophobicContact CG-CG1 4.44Å; F63-I68 HydrophobicContact CZ-CD1 3.84Å; F63-I68 HydrophobicContact CZ-CG1 3.3Å; F63-Q74 VanDerWaalsContact CE2-OE1 3.3Å
64K91.5Very high91.1Very high135 Ų13552.1 Ų52.159%0.58726%0.258SS*.EExtended strand (participates in β ladder)trans-128.3124.1166.5-170175.8-176.9178.30109.1G66 Y67 N69K64-G66 VanDerWaalsContact C-N 3.26Å; K64-G66 PolarHBondContact O-N 3.48Å; K64-Y67 PolarHBondContact N-O 3Å; K64-Y67 PolarHBondContact O-N 2.99Å; K64-Y67 VanDerWaalsContact O-N 3.11Å; K64-N69 HydrophobicContact CB-CB 4.03Å
65K90.2Very high91.8Very high157 Ų15752.5 Ų52.568%0.68326%0.262SS*.THydrogen-bonded Turntrans47.849.7-179.1-62.3-174.1175.4-172.50111.3Y67 F162K65-Y67 VanDerWaalsContact C-N 3.29Å; K65-Y67 WeakPolarHBondContact O-CD2 3.43Å; K65-Y67 WeakPolarHBondContact O-CE2 3.4Å; K65-Y67 PolarHBondContact O-N 3.28Å; K65-F162 VanDerWaalsContact C-CZ 3.44Å; K65-F162 HydrophobicContact CB-CZ 3.93Å; K65-F162 WeakPolarHBondContact O-CE2 3.42Å; K65-F162 WeakPolarHBondContact O-CZ 3.4Å
66G90.7Very high92.6Very high12 Ų1255 Ų5512%0.12427%0.271CS..THydrogen-bonded Turntrans73.32177.500000117.5K64 P104 S161K64-G66 VanDerWaalsContact C-N 3.26Å; K64-G66 PolarHBondContact O-N 3.48Å; G66-P104 VanDerWaalsContact O-CG 3.26Å; G66-P104 WeakPolarHBondContact O-CG 3.15Å; G66-S161 PolarHBondContact N-OG 3.15Å; G66-S161 VanDerWaalsContact N-OG 3.11Å
67Y94Very high93.4Very high45 Ų4552.9 Ų52.918%0.17626%0.256CS..EExtended strand (participates in β ladder)trans-116.3147.3175.5-57.7-85.8000111.5F63 K64 K65 N69 P104 F108 R180F63-Y67 CarbonylContact C-O 3.44Å; F63-Y67 VanDerWaalsContact CA-O 3.25Å; F63-Y67 WeakPolarHBondContact CA-O 3.44Å; K64-Y67 PolarHBondContact N-O 3Å; K64-Y67 PolarHBondContact O-N 2.99Å; K64-Y67 VanDerWaalsContact O-N 3.11Å; K65-Y67 VanDerWaalsContact C-N 3.29Å; K65-Y67 WeakPolarHBondContact O-CD2 3.43Å; K65-Y67 WeakPolarHBondContact O-CE2 3.4Å; K65-Y67 PolarHBondContact O-N 3.28Å; Y67-N69 PolarHBondContact O-N 3.42Å; Y67-P104 HydrophobicContact CD1-CG 4.33Å; Y67-P104 HydrophobicContact CE1-CB 4.31Å; Y67-F108 AromaticContact CD1-CD2 3.93Å; Y67-F108 HydrophobicContact CD1-CD2 3.93Å; Y67-F108 AromaticContact CD1-CE2 3.75Å; Y67-F108 HydrophobicContact CD1-CE2 3.75Å; Y67-F108 HydrophobicContact CD2-CE2 4.39Å; Y67-F108 HydrophobicContact CE1-CD2 4.11Å; Y67-F108 AromaticContact CE1-CE2 3.75Å; Y67-F108 HydrophobicContact CE1-CE2 3.75Å; Y67-F108 HydrophobicContact CE1-CZ 4.46Å; Y67-F108 HydrophobicContact CE2-CE2 4.42Å; Y67-F108 HydrophobicContact CG-CE2 4.08Å; Y67-R180 PolarHBondContact OH-NH1 3.01Å; Y67-R180 VanDerWaalsContact OH-NH1 3.07Å
68I94.8Very high93.9Very high15 Ų1551.9 Ų51.98%0.07725%0.251CS..EExtended strand (participates in β ladder)trans-69.9114.6171.8-60.2170.7000108M10 F63 W71 Q74 M115M10-I68 HydrophobicContact CE-CD1 4.16Å; F63-I68 HydrophobicContact CD1-CG1 4.24Å; F63-I68 HydrophobicContact CD2-CG1 4.11Å; F63-I68 HydrophobicContact CE1-CG1 3.7Å; F63-I68 HydrophobicContact CE2-CD1 4.14Å; F63-I68 HydrophobicContact CE2-CG1 3.52Å; F63-I68 HydrophobicContact CG-CG1 4.44Å; F63-I68 HydrophobicContact CZ-CD1 3.84Å; F63-I68 HydrophobicContact CZ-CG1 3.3Å; I68-W71 HydrophobicContact CB-CZ2 4.38Å; I68-W71 HydrophobicContact CD1-CE3 4.42Å; I68-W71 HydrophobicContact CD1-CH2 3.52Å; I68-W71 HydrophobicContact CD1-CZ2 3.89Å; I68-W71 HydrophobicContact CD1-CZ3 3.82Å; I68-W71 HydrophobicContact CG2-CD2 3.69Å; I68-W71 HydrophobicContact CG2-CE3 4.06Å; I68-W71 HydrophobicContact CG2-CG 4.02Å; I68-W71 HydrophobicContact CG2-CZ2 4.23Å; I68-W71 HydrophobicContact CG2-CZ3 4.49Å; I68-Q74 HydrophobicContact CD1-CG 4.41Å; I68-Q74 HydrophobicContact CG2-CB 4.39Å; I68-M115 HydrophobicContact CD1-CE 4.45Å
69N92.9Very high94.3Very high121 Ų12149.1 Ų49.165%0.64724%0.241SC*.  trans-104.5-24.1178.1-175.791.6000111.9P62 K64 Y67P62-N69 PolarHBondContact O-N 2.82Å; K64-N69 HydrophobicContact CB-CB 4.03Å; Y67-N69 PolarHBondContact O-N 3.42Å
70N95.5Very high94.4Very high54 Ų5450 Ų5029%0.28925%0.246SC..  trans-130.599.7178.9-172.3-30000109.8P62 E72 V73 Q74P62-N70 WeakPolarHBondContact CB-O 3.35Å; P62-N70 PolarHBondContact O-N 3.41Å; N70-E72 WeakPolarHBondContact OD1-CB 3.06Å; N70-E72 PolarHBondContact OD1-N 2.84Å; N70-E72 VanDerWaalsContact OD1-N 3.08Å; N70-V73 HydrophobicContact CB-CB 4.29Å; N70-V73 HydrophobicContact CB-CG2 4.3Å; N70-V73 WeakPolarHBondContact ND2-CG2 3.18Å; N70-V73 PolarHBondContact OD1-N 3.06Å; N70-Q74 PolarHBondContact O-N 2.91Å
71W95.4Very high94.5Very high47 Ų4748.7 Ų48.718%0.17824%0.238CC..Hα-helixtrans-70-32.9177.8-80.3110.7000112.9I68 V73 Q74 C75 T111 A114 M115 I118I68-W71 HydrophobicContact CB-CZ2 4.38Å; I68-W71 HydrophobicContact CD1-CE3 4.42Å; I68-W71 HydrophobicContact CD1-CH2 3.52Å; I68-W71 HydrophobicContact CD1-CZ2 3.89Å; I68-W71 HydrophobicContact CD1-CZ3 3.82Å; I68-W71 HydrophobicContact CG2-CD2 3.69Å; I68-W71 HydrophobicContact CG2-CE3 4.06Å; I68-W71 HydrophobicContact CG2-CG 4.02Å; I68-W71 HydrophobicContact CG2-CZ2 4.23Å; I68-W71 HydrophobicContact CG2-CZ3 4.49Å; W71-V73 PolarHBondContact O-N 3.3Å; W71-Q74 HydrophobicContact CE3-CB 4.22Å; W71-Q74 HydrophobicContact CE3-CG 4.28Å; W71-Q74 HydrophobicContact CZ3-CG 4.35Å; W71-Q74 CarbonylContact O-C 3.43Å; W71-Q74 WeakPolarHBondContact O-CB 3.42Å; W71-Q74 PolarHBondContact O-N 2.85Å; W71-Q74 VanDerWaalsContact O-N 3.09Å; W71-C75 WeakPolarHBondContact O-CB 3.31Å; W71-C75 PolarHBondContact O-N 2.83Å; W71-C75 PolarHBondContact O-SG 2.79Å; W71-T111 HydrophobicContact CZ2-CG2 3.9Å; W71-A114 HydrophobicContact CZ2-CB 4.1Å; W71-M115 HydrophobicContact CH2-CB 3.67Å; W71-M115 HydrophobicContact CH2-CE 4.07Å; W71-M115 HydrophobicContact CH2-CG 4.02Å; W71-M115 HydrophobicContact CZ2-CB 4.05Å; W71-I118 HydrophobicContact CB-CD1 4.1Å; W71-I118 HydrophobicContact CD2-CD1 3.51Å; W71-I118 HydrophobicContact CE3-CD1 3.21Å; W71-I118 HydrophobicContact CG-CD1 3.93Å; W71-I118 HydrophobicContact CH2-CD1 4.45Å; W71-I118 HydrophobicContact CZ3-CD1 3.74Å
72E95.9Very high94.4Very high136 Ų13646.7 Ų46.764%0.63623%0.228SC*.Hα-helixtrans-59.7-47.2177-174.4-170.7170.500111.1N70 Q74 C75 Q76N70-E72 WeakPolarHBondContact OD1-CB 3.06Å; N70-E72 PolarHBondContact OD1-N 2.84Å; N70-E72 VanDerWaalsContact OD1-N 3.08Å; E72-Q74 VanDerWaalsContact C-N 3.31Å; E72-Q74 PolarHBondContact O-N 2.93Å; E72-C75 PolarHBondContact O-N 2.91Å; E72-Q76 WeakPolarHBondContact O-CG 3.3Å; E72-Q76 PolarHBondContact O-N 2.93Å
73V96.4Very high94.1Very high12 Ų1253.4 Ų53.47%0.07326%0.257CS..Hα-helixtrans-63.2-40.3174.4171.80000110.8I32 V60 P62 N70 W71 Q76 I77I32-V73 HydrophobicContact CD1-CG1 3.92Å; I32-V73 HydrophobicContact CG1-CG1 4.23Å; V60-V73 HydrophobicContact CG1-CG1 4.12Å; V60-V73 HydrophobicContact CG1-CG2 3.8Å; P62-V73 HydrophobicContact CB-CB 4.22Å; P62-V73 HydrophobicContact CB-CG1 3.96Å; P62-V73 HydrophobicContact CG-CG1 4.17Å; N70-V73 HydrophobicContact CB-CB 4.29Å; N70-V73 HydrophobicContact CB-CG2 4.3Å; N70-V73 WeakPolarHBondContact ND2-CG2 3.18Å; N70-V73 PolarHBondContact OD1-N 3.06Å; W71-V73 PolarHBondContact O-N 3.3Å; V73-Q76 PolarHBondContact O-N 2.81Å; V73-I77 HydrophobicContact CG1-CD1 4Å; V73-I77 WeakPolarHBondContact O-CG1 3.26Å; V73-I77 PolarHBondContact O-N 3.02Å; V73-I77 VanDerWaalsContact O-N 3.14Å
74Q97.4Very high93.8Very high0 Ų054.3 Ų54.30%027%0.266CS..Hα-helixtrans-64.2-43178.7-170.559.571.100111.4N30 P62 F63 I68 N70 W71 E72 I77 L78N30-Q74 PolarHBondContact ND2-OE1 2.95Å; N30-Q74 PolarHBondContact OD1-NE2 2.64Å; N30-Q74 PolarHBondContact OD1-OE1 2.8Å; P62-Q74 HydrophobicContact CB-CB 3.8Å; P62-Q74 HydrophobicContact CG-CB 4.35Å; F63-Q74 VanDerWaalsContact CE2-OE1 3.3Å; I68-Q74 HydrophobicContact CD1-CG 4.41Å; I68-Q74 HydrophobicContact CG2-CB 4.39Å; N70-Q74 PolarHBondContact O-N 2.91Å; W71-Q74 HydrophobicContact CE3-CB 4.22Å; W71-Q74 HydrophobicContact CE3-CG 4.28Å; W71-Q74 HydrophobicContact CZ3-CG 4.35Å; W71-Q74 CarbonylContact O-C 3.43Å; W71-Q74 WeakPolarHBondContact O-CB 3.42Å; W71-Q74 PolarHBondContact O-N 2.85Å; W71-Q74 VanDerWaalsContact O-N 3.09Å; E72-Q74 VanDerWaalsContact C-N 3.31Å; E72-Q74 PolarHBondContact O-N 2.93Å; Q74-I77 PolarHBondContact O-N 3.07Å; Q74-L78 HydrophobicContact CG-CD1 4.03Å; Q74-L78 HydrophobicContact CG-CG 4.39Å; Q74-L78 WeakPolarHBondContact O-CB 3.47Å; Q74-L78 VanDerWaalsContact O-CG 3.28Å; Q74-L78 WeakPolarHBondContact O-CG 3.43Å; Q74-L78 PolarHBondContact O-N 3.36Å
75C96.6Very high93.7Very high23 Ų2348.2 Ų48.216%0.15524%0.239CC..Hα-helixtrans-64.9-41.1177.1-68.40000111.4W71 E72 I77 L78 D79 Y123W71-C75 WeakPolarHBondContact O-CB 3.31Å; W71-C75 PolarHBondContact O-N 2.83Å; W71-C75 PolarHBondContact O-SG 2.79Å; E72-C75 PolarHBondContact O-N 2.91Å; C75-I77 VanDerWaalsContact C-N 3.29Å; C75-I77 PolarHBondContact O-N 3.35Å; C75-L78 PolarHBondContact O-N 3.3Å; C75-D79 WeakPolarHBondContact O-CB 3.2Å; C75-D79 VanDerWaalsContact O-CG 3.27Å; C75-D79 PolarHBondContact O-N 2.91Å; C75-Y123 PolarHBondContact O-OH 3.33Å
76Q96.2Very high93.5Very high83 Ų8341.9 Ų41.939%0.38821%0.214SC..Hα-helixtrans-57.5-41.9173.6-73.9176.39.600112.4I32 E72 V73 T80I32-Q76 HydrophobicContact CD1-CB 3.93Å; I32-Q76 VanDerWaalsContact CD1-OE1 3.22Å; E72-Q76 WeakPolarHBondContact O-CG 3.3Å; E72-Q76 PolarHBondContact O-N 2.93Å; V73-Q76 PolarHBondContact O-N 2.81Å; Q76-T80 PolarHBondContact O-N 2.93Å; Q76-T80 PolarHBondContact O-OG1 3.3Å
77I96.7Very high93.2Very high0 Ų049.8 Ų49.80%025%0.245CC..Hα-helixtrans-69.2-44.1177.1-62.2161.6000110.9L15 N30 I32 V44 P62 V73 Q74 C75 T81L15-I77 HydrophobicContact CD1-CG2 3.54Å; N30-I77 WeakPolarHBondContact OD1-CD1 3.36Å; I32-I77 HydrophobicContact CD1-CG1 4.13Å; I32-I77 HydrophobicContact CG1-CD1 4.04Å; I32-I77 HydrophobicContact CG1-CG1 3.7Å; V44-I77 HydrophobicContact CG1-CB 4.2Å; V44-I77 HydrophobicContact CG1-CG1 3.92Å; V44-I77 HydrophobicContact CG1-CG2 4.5Å; P62-I77 HydrophobicContact CG-CD1 3.87Å; V73-I77 HydrophobicContact CG1-CD1 4Å; V73-I77 WeakPolarHBondContact O-CG1 3.26Å; V73-I77 PolarHBondContact O-N 3.02Å; V73-I77 VanDerWaalsContact O-N 3.14Å; Q74-I77 PolarHBondContact O-N 3.07Å; C75-I77 VanDerWaalsContact C-N 3.29Å; C75-I77 PolarHBondContact O-N 3.35Å; I77-T81 WeakPolarHBondContact O-CB 3.33Å; I77-T81 PolarHBondContact O-N 2.94Å; I77-T81 PolarHBondContact O-OG1 3.32Å
78L95.8Very high92.8Very high0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-63.2-43.2178.8-74173.9000111.3L8 L15 Q74 C75 T80 T81 L82 F119 Y123L8-L78 HydrophobicContact CD1-CD2 4.45Å; L8-L78 HydrophobicContact CD2-CD2 3.8Å; L15-L78 HydrophobicContact CD1-CD2 4.34Å; Q74-L78 HydrophobicContact CG-CD1 4.03Å; Q74-L78 HydrophobicContact CG-CG 4.39Å; Q74-L78 WeakPolarHBondContact O-CB 3.47Å; Q74-L78 VanDerWaalsContact O-CG 3.28Å; Q74-L78 WeakPolarHBondContact O-CG 3.43Å; Q74-L78 PolarHBondContact O-N 3.36Å; C75-L78 PolarHBondContact O-N 3.3Å; L78-T80 PolarHBondContact O-N 3.39Å; L78-T81 WeakPolarHBondContact O-CB 3.38Å; L78-T81 PolarHBondContact O-N 3.36Å; L78-L82 HydrophobicContact CB-CD1 4.24Å; L78-L82 WeakPolarHBondContact O-CB 3.36Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 3.33Å; L78-F119 HydrophobicContact CD1-CE1 4.28Å; L78-F119 HydrophobicContact CD1-CZ 4.15Å; L78-Y123 VanDerWaalsContact CB-OH 3.26Å; L78-Y123 WeakPolarHBondContact CB-OH 3.43Å; L78-Y123 HydrophobicContact CD1-CE2 4.3Å
79D94.6Very high92.2Very high61 Ų6154.4 Ų54.433%0.32628%0.277SS..Hα-helixtrans-55.8-51.9177.5-80.2-25.9000112C75 T81 K83 Y123C75-D79 WeakPolarHBondContact O-CB 3.2Å; C75-D79 VanDerWaalsContact O-CG 3.27Å; C75-D79 PolarHBondContact O-N 2.91Å; D79-T81 VanDerWaalsContact C-N 3.32Å; D79-T81 PolarHBondContact O-N 2.85Å; D79-K83 VanDerWaalsContact O-CB 3.25Å; D79-K83 WeakPolarHBondContact O-CB 3.1Å; D79-K83 WeakPolarHBondContact O-CD 3.29Å; D79-K83 WeakPolarHBondContact O-CG 3.37Å; D79-K83 PolarHBondContact O-N 3.38Å; D79-Y123 WeakPolarHBondContact OD1-CE1 3.37Å; D79-Y123 PolarHBondContact OD1-OH 2.99Å
80T93.2Very high91.6Very high49 Ų4953.8 Ų53.830%0.30128%0.282SS..Hα-helixtrans-62.5-42.9178.3-62.50000111V44 Q76 L78 S84V44-T80 HydrophobicContact CB-CG2 4.39Å; V44-T80 HydrophobicContact CG1-CG2 4.34Å; Q76-T80 PolarHBondContact O-N 2.93Å; Q76-T80 PolarHBondContact O-OG1 3.3Å; L78-T80 PolarHBondContact O-N 3.39Å; T80-S84 PolarHBondContact O-N 3.4Å
81T92.9Very high90.6Very high6 Ų654.2 Ų54.24%0.03728%0.282CS..Hα-helixtrans-62.8-51.7180-66.90000112.1I17 I28 I77 L78 D79 S84 I85I17-T81 HydrophobicContact CD1-CG2 4.12Å; I17-T81 HydrophobicContact CG2-CG2 3.68Å; I28-T81 HydrophobicContact CD1-CG2 3.28Å; I28-T81 WeakPolarHBondContact CD1-OG1 3.31Å; I77-T81 WeakPolarHBondContact O-CB 3.33Å; I77-T81 PolarHBondContact O-N 2.94Å; I77-T81 PolarHBondContact O-OG1 3.32Å; L78-T81 WeakPolarHBondContact O-CB 3.38Å; L78-T81 PolarHBondContact O-N 3.36Å; D79-T81 VanDerWaalsContact C-N 3.32Å; D79-T81 PolarHBondContact O-N 2.85Å; T81-S84 WeakPolarHBondContact O-CB 3.2Å; T81-S84 PolarHBondContact O-N 3.1Å; T81-I85 HydrophobicContact CG2-CD1 4.18Å; T81-I85 WeakPolarHBondContact O-CG1 3.42Å; T81-I85 PolarHBondContact O-N 3.06Å; T81-I85 VanDerWaalsContact O-N 3.16Å
82L91.5Very high89.5Confident8 Ų859.9 Ų59.94%0.04232%0.316CS..Hα-helixtrans-68-43.9-175.9-75.3173.9000111L6 I17 L78 S84 I85 V86 F94 Y123L6-L82 HydrophobicContact CD2-CD2 3.9Å; I17-L82 HydrophobicContact CD1-CD2 3.56Å; L78-L82 HydrophobicContact CB-CD1 4.24Å; L78-L82 WeakPolarHBondContact O-CB 3.36Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 3.33Å; L82-S84 PolarHBondContact O-N 3.45Å; L82-I85 PolarHBondContact O-N 3.3Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 2.91Å; L82-F94 HydrophobicContact CB-CE2 3.69Å; L82-F94 HydrophobicContact CB-CZ 3.46Å; L82-F94 VanDerWaalsContact CB-CZ 3.46Å; L82-F94 HydrophobicContact CD1-CE2 4.43Å; L82-F94 HydrophobicContact CD2-CE1 3.8Å; L82-F94 HydrophobicContact CD2-CE2 4.22Å; L82-F94 HydrophobicContact CD2-CZ 3.55Å; L82-F94 HydrophobicContact CG-CE2 4.33Å; L82-F94 HydrophobicContact CG-CZ 4Å; L82-F94 WeakPolarHBondContact O-CZ 3.41Å; L82-Y123 HydrophobicContact CD1-CD1 3.55Å; L82-Y123 HydrophobicContact CD1-CE1 3.4Å; L82-Y123 VanDerWaalsContact CD1-CE1 3.4Å; L82-Y123 HydrophobicContact CD1-CG 4.2Å
83K89.7Confident88.8Confident140 Ų14055.6 Ų55.661%0.60930%0.301SS*.Hα-helixtrans-55.6-40.3172.3-74.6168.4-172.9164.80111.8D79 I85 K87D79-K83 VanDerWaalsContact O-CB 3.25Å; D79-K83 WeakPolarHBondContact O-CB 3.1Å; D79-K83 WeakPolarHBondContact O-CD 3.29Å; D79-K83 WeakPolarHBondContact O-CG 3.37Å; D79-K83 PolarHBondContact O-N 3.38Å; K83-I85 PolarHBondContact O-N 3.46Å; K83-K87 WeakPolarHBondContact O-CB 3.33Å; K83-K87 PolarHBondContact O-N 3.17Å; K83-K87 VanDerWaalsContact O-N 3.17Å
84S88.6Confident88.1Confident36 Ų3656.2 Ų56.225%0.25230%0.303SS..Hα-helixtrans-63.3-39.9175.51780000112.5K26 T80 T81 L82 T88K26-S84 PolarHBondContact NZ-OG 3.01Å; T80-S84 PolarHBondContact O-N 3.4Å; T81-S84 WeakPolarHBondContact O-CB 3.2Å; T81-S84 PolarHBondContact O-N 3.1Å; L82-S84 PolarHBondContact O-N 3.45Å; S84-T88 PolarHBondContact O-N 3.14Å; S84-T88 PolarHBondContact O-OG1 2.99Å; S84-T88 VanDerWaalsContact O-OG1 3.05Å
85I88.7Confident87.6Confident7 Ų758.3 Ų58.34%0.03632%0.317CS..Hα-helixtrans-72.7-41.4-176.6-68.9170.5000111.8I17 F19 T81 L82 K83 K87 T88 N89I17-I85 HydrophobicContact CB-CD1 3.88Å; I17-I85 HydrophobicContact CD1-CD1 3.28Å; I17-I85 HydrophobicContact CG1-CD1 3.38Å; I17-I85 HydrophobicContact CG2-CD1 3.32Å; I17-I85 HydrophobicContact CG2-CG1 4.45Å; F19-I85 HydrophobicContact CD2-CG2 4.12Å; F19-I85 HydrophobicContact CE2-CG2 3.55Å; F19-I85 HydrophobicContact CZ-CG2 4.33Å; T81-I85 HydrophobicContact CG2-CD1 4.18Å; T81-I85 WeakPolarHBondContact O-CG1 3.42Å; T81-I85 PolarHBondContact O-N 3.06Å; T81-I85 VanDerWaalsContact O-N 3.16Å; L82-I85 PolarHBondContact O-N 3.3Å; K83-I85 PolarHBondContact O-N 3.46Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.21Å; I85-T88 PolarHBondContact O-N 3.13Å; I85-N89 WeakPolarHBondContact O-CB 3.41Å; I85-N89 PolarHBondContact O-N 2.99Å; I85-N89 PolarHBondContact O-ND2 3.29Å
86V85.6Confident87.2Confident25 Ų2562.4 Ų62.415%0.15234%0.338CS..Hα-helixtrans-58-45.9175.1169.20000110.1L82 N89 S90 Q91 F94L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 2.91Å; V86-N89 PolarHBondContact O-N 3.2Å; V86-S90 PolarHBondContact O-N 3.3Å; V86-Q91 HydrophobicContact CG1-CB 4.27Å; V86-Q91 WeakPolarHBondContact CG1-O 3.26Å; V86-Q91 PolarHBondContact O-N 2.8Å; V86-F94 HydrophobicContact CB-CZ 4.38Å; V86-F94 HydrophobicContact CG2-CD1 4.27Å; V86-F94 HydrophobicContact CG2-CD2 4.27Å; V86-F94 HydrophobicContact CG2-CE1 3.46Å; V86-F94 VanDerWaalsContact CG2-CE1 3.46Å; V86-F94 HydrophobicContact CG2-CE2 3.45Å; V86-F94 VanDerWaalsContact CG2-CE2 3.45Å; V86-F94 HydrophobicContact CG2-CZ 3.01Å
87K85.8Confident87Confident177 Ų17758.7 Ų58.777%0.7732%0.32SS*.Hα-helixtrans-62.9-44.5177.1-167.8179.7-177.1-179.30112.3K83 I85K83-K87 WeakPolarHBondContact O-CB 3.33Å; K83-K87 PolarHBondContact O-N 3.17Å; K83-K87 VanDerWaalsContact O-N 3.17Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.21Å
88T84.5Confident87Confident106 Ų10662.2 Ų62.265%0.6534%0.339SS*.Hα-helixtrans-65.9-37.2179.5-62.60000112.4S84 I85S84-T88 PolarHBondContact O-N 3.14Å; S84-T88 PolarHBondContact O-OG1 2.99Å; S84-T88 VanDerWaalsContact O-OG1 3.05Å; I85-T88 PolarHBondContact O-N 3.13Å
89N82.1Confident87Confident51 Ų5162.4 Ų62.427%0.27334%0.34SS..THydrogen-bonded Turntrans-95.68.3-177.1-75.2-70000114.4F19 I85 V86 Q91F19-N89 HydrophobicContact CD2-CB 4.2Å; F19-N89 WeakPolarHBondContact CD2-ND2 3.28Å; F19-N89 HydrophobicContact CE2-CB 3.82Å; I85-N89 WeakPolarHBondContact O-CB 3.41Å; I85-N89 PolarHBondContact O-N 2.99Å; I85-N89 PolarHBondContact O-ND2 3.29Å; V86-N89 PolarHBondContact O-N 3.2Å; N89-Q91 HydrophobicContact CB-CG 4.03Å; N89-Q91 PolarHBondContact O-N 2.84Å; N89-Q91 VanDerWaalsContact O-N 3.15Å
90S79.7Confident87.1Confident108 Ų10861.5 Ų61.576%0.75534%0.335SS*.THydrogen-bonded Turntrans51.135.1-177.3-54.90000113.7V86V86-S90 PolarHBondContact O-N 3.3Å
91Q75.8Confident87.3Confident64 Ų6459.2 Ų59.230%0.29932%0.321SS..  trans-86.3157.6174.4-63.5-64.6-40.600109.4F19 V86 N89 H97F19-Q91 HydrophobicContact CE2-CG 4.44Å; F19-Q91 HydrophobicContact CZ-CG 4.18Å; V86-Q91 HydrophobicContact CG1-CB 4.27Å; V86-Q91 WeakPolarHBondContact CG1-O 3.26Å; V86-Q91 PolarHBondContact O-N 2.8Å; N89-Q91 HydrophobicContact CB-CG 4.03Å; N89-Q91 PolarHBondContact O-N 2.84Å; N89-Q91 VanDerWaalsContact O-N 3.15Å; Q91-H97 PolarHBondContact OE1-NE2 2.8Å
92N72.6Confident87.4Confident166 Ų16659.1 Ų59.189%0.88832%0.32SS*.SBendtrans-104.8-25.3175-72.2-23.7000112.8
93S80.3Confident87.6Confident45 Ų4559.7 Ų59.732%0.31532%0.323SS..  trans-156.3159.7-174.2-177.30000110.9S95 H97S93-S95 WeakPolarHBondContact OG-CB 3.18Å; S93-S95 PolarHBondContact OG-N 3.24Å; S93-S95 PolarHBondContact OG-OG 2.84Å; S93-H97 PolarHBondContact O-CD2 3.11Å
94F82.7Confident87.7Confident26 Ų2654.5 Ų54.511%0.11430%0.303CS..SBendtrans-89.6-8.4169.2-61.8-71.6000113.3L6 L82 V86 D96 H97L6-F94 HydrophobicContact CD2-CD1 4.02Å; L6-F94 HydrophobicContact CD2-CE1 4.01Å; L82-F94 HydrophobicContact CB-CE2 3.69Å; L82-F94 HydrophobicContact CB-CZ 3.46Å; L82-F94 VanDerWaalsContact CB-CZ 3.46Å; L82-F94 HydrophobicContact CD1-CE2 4.43Å; L82-F94 HydrophobicContact CD2-CE1 3.8Å; L82-F94 HydrophobicContact CD2-CE2 4.22Å; L82-F94 HydrophobicContact CD2-CZ 3.55Å; L82-F94 HydrophobicContact CG-CE2 4.33Å; L82-F94 HydrophobicContact CG-CZ 4Å; L82-F94 WeakPolarHBondContact O-CZ 3.41Å; V86-F94 HydrophobicContact CB-CZ 4.38Å; V86-F94 HydrophobicContact CG2-CD1 4.27Å; V86-F94 HydrophobicContact CG2-CD2 4.27Å; V86-F94 HydrophobicContact CG2-CE1 3.46Å; V86-F94 VanDerWaalsContact CG2-CE1 3.46Å; V86-F94 HydrophobicContact CG2-CE2 3.45Å; V86-F94 VanDerWaalsContact CG2-CE2 3.45Å; V86-F94 HydrophobicContact CG2-CZ 3.01Å; F94-D96 PolarHBondContact O-N 2.85Å; F94-H97 PolarHBondContact O-N 2.83Å
95S86.2Confident87.7Confident43 Ų4353.6 Ų53.630%0.30129%0.294SS..THydrogen-bonded Turntrans-59.3-24.9-171.456.20000115.1S93 Q124 A126S93-S95 WeakPolarHBondContact OG-CB 3.18Å; S93-S95 PolarHBondContact OG-N 3.24Å; S93-S95 PolarHBondContact OG-OG 2.84Å; S95-Q124 VanDerWaalsContact CA-O 3.23Å; S95-Q124 WeakPolarHBondContact CA-O 3.47Å; S95-A126 WeakPolarHBondContact O-CB 3.43Å
96D88.4Confident87.8Confident109 Ų10957.8 Ų57.858%0.58331%0.313SS*.THydrogen-bonded Turntrans-92.6-7.6-179.8-58.3-33.5000112.5S3 F94S3-D96 WeakPolarHBondContact CB-O 3.43Å; S3-D96 PolarHBondContact OG-O 3.25Å; F94-D96 PolarHBondContact O-N 2.85Å
97H92.1Very high88.2Confident6 Ų657.2 Ų57.23%0.02831%0.309CS..  trans-105.4138.2-170.7-59.9-77.1000111.7P4 F19 Q91 S93 F94 A126P4-H97 PolarHBondContact O-ND1 3.25Å; F19-H97 AromaticContact CE1-CE1 3.93Å; F19-H97 AromaticContact CE1-CG 3.95Å; F19-H97 AromaticContact CE1-ND1 3.73Å; Q91-H97 PolarHBondContact OE1-NE2 2.8Å; S93-H97 PolarHBondContact O-CD2 3.11Å; F94-H97 PolarHBondContact O-N 2.83Å; H97-A126 PolarHBondContact O-N 3.32Å
98N95.5Very high88.6Confident74 Ų7454.3 Ų54.340%0.39630%0.296SS..EExtended strand (participates in β ladder)trans-77.3148.9167-65.5-47.7000110T5 L6 G127T5-N98 HydrophobicContact CG2-CB 4.23Å; T5-N98 WeakPolarHBondContact CG2-O 3.48Å; L6-N98 PolarHBondContact N-O 2.87Å; N98-G127 CarbonylContact C-O 3.57Å; N98-G127 WeakPolarHBondContact CA-O 3.38Å; N98-G127 WeakPolarHBondContact OD1-CA 3.25Å; N98-G127 PolarHBondContact OD1-N 3.28Å
99L96.3Very high89.1Confident3 Ų353.3 Ų53.32%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-116.9126.1177.7177.259000110.9L6 L8 V101 F119 V125 G127 L128 I129L6-L99 HydrophobicContact CB-CD1 4.11Å; L6-L99 HydrophobicContact CD2-CD1 4.07Å; L6-L99 HydrophobicContact CG-CD1 3.94Å; L6-L99 CarbonylContact O-C 3.58Å; L6-L99 WeakPolarHBondContact O-CA 3.27Å; L6-L99 WeakPolarHBondContact O-CD1 3.29Å; L8-L99 HydrophobicContact CB-CD1 3.86Å; L99-V101 HydrophobicContact CD2-CB 4.47Å; L99-V101 HydrophobicContact CG-CB 4.26Å; L99-F119 HydrophobicContact CD2-CB 4.34Å; L99-F119 HydrophobicContact CD2-CD1 3.36Å; L99-F119 HydrophobicContact CD2-CD2 3.97Å; L99-F119 HydrophobicContact CD2-CE1 3.51Å; L99-F119 HydrophobicContact CD2-CE2 4.09Å; L99-F119 HydrophobicContact CD2-CG 3.63Å; L99-F119 HydrophobicContact CD2-CZ 3.89Å; L99-V125 HydrophobicContact CB-CB 4.32Å; L99-V125 HydrophobicContact CB-CG1 4.14Å; L99-V125 HydrophobicContact CB-CG2 4.34Å; L99-V125 HydrophobicContact CD2-CG1 4.21Å; L99-G127 PolarHBondContact N-O 2.93Å; L99-L128 HydrophobicContact CB-CD1 3.95Å; L99-L128 HydrophobicContact CD2-CD1 3.74Å; L99-L128 HydrophobicContact CG-CD1 3.79Å; L99-L128 CarbonylContact O-C 3.57Å; L99-L128 WeakPolarHBondContact O-CA 3.23Å; L99-I129 PolarHBondContact O-N 3.33Å
100I97.1Very high89.7Confident43 Ų4354.6 Ų54.622%0.22131%0.307CS..EExtended strand (participates in β ladder)trans-102.1117.1163.3-62.3171.2000107.4T5 L6 I7 L8 I129 T131 L136T5-I100 HydrophobicContact CG2-CD1 3.83Å; T5-I100 HydrophobicContact CG2-CG1 3.83Å; L6-I100 PolarHBondContact O-N 2.63Å; I7-I100 WeakPolarHBondContact CA-O 3.27Å; L8-I100 PolarHBondContact N-O 2.93Å; I100-I129 CarbonylContact C-O 3.58Å; I100-I129 WeakPolarHBondContact CA-O 3.47Å; I100-I129 HydrophobicContact CG1-CB 4.27Å; I100-T131 HydrophobicContact CG2-CG2 3.97Å; I100-L136 HydrophobicContact CG2-CD2 4.42Å
101V97.2Very high90.4Very high0 Ų050.1 Ų50.10%028%0.275CS..EExtended strand (participates in β ladder)trans-120.3139-177.969.90000111.7L8 M10 L99 M115 F119 L128 I129 R130 T131L8-V101 HydrophobicContact CB-CG2 4.3Å; L8-V101 HydrophobicContact CD2-CG2 4.02Å; L8-V101 HydrophobicContact CG-CG2 4.08Å; L8-V101 CarbonylContact O-C 3.38Å; L8-V101 VanDerWaalsContact O-CA 3.26Å; L8-V101 WeakPolarHBondContact O-CA 3.38Å; M10-V101 HydrophobicContact CE-CG2 3.34Å; M10-V101 HydrophobicContact CG-CG2 3.8Å; M10-V101 HydrophobicContact SD-CG2 3.87Å; L99-V101 HydrophobicContact CD2-CB 4.47Å; L99-V101 HydrophobicContact CG-CB 4.26Å; V101-M115 HydrophobicContact CG1-SD 3.69Å; V101-M115 HydrophobicContact CG2-SD 4.34Å; V101-F119 HydrophobicContact CB-CE2 4.49Å; V101-F119 HydrophobicContact CG1-CE2 4.41Å; V101-F119 HydrophobicContact CG2-CE2 4.06Å; V101-F119 HydrophobicContact CG2-CZ 4.31Å; V101-L128 HydrophobicContact CB-CD1 4.41Å; V101-L128 HydrophobicContact CG1-CD1 3.68Å; V101-I129 PolarHBondContact N-O 2.77Å; V101-R130 HydrophobicContact CG1-CB 4.39Å; V101-R130 HydrophobicContact CG1-CG 3.72Å; V101-R130 CarbonylContact O-C 3.53Å; V101-R130 WeakPolarHBondContact O-CA 3.26Å; V101-T131 PolarHBondContact O-N 3.43Å
102T96.1Very high91.4Very high5 Ų549.9 Ų49.93%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-83.5145.2174.467.50000112.2L8 D9 M10 T131 L136L8-T102 PolarHBondContact O-N 3.11Å; D9-T102 VanDerWaalsContact CA-OG1 3.23Å; D9-T102 WeakPolarHBondContact CA-OG1 3.42Å; D9-T102 HydrophobicContact CB-CG2 4.1Å; D9-T102 WeakPolarHBondContact OD1-CB 3.4Å; D9-T102 WeakPolarHBondContact OD1-CG2 3.49Å; D9-T102 PolarHBondContact OD1-OG1 3.33Å; M10-T102 PolarHBondContact N-OG1 3.29Å; T102-T131 CarbonylContact C-O 3.57Å; T102-T131 VanDerWaalsContact CA-O 3.24Å; T102-T131 WeakPolarHBondContact CA-O 3.48Å; T102-L136 HydrophobicContact CG2-CD1 3.78Å
103E95.1Very high92.5Very high19 Ų1948 Ų489%0.08926%0.259CS..  trans-136.9163.1172.168.1164.8-173.300111.9N107 K112 M115 R130 T131 N132E103-N107 PolarHBondContact OE2-ND2 3.39Å; E103-K112 WeakPolarHBondContact OE1-CE 3.44Å; E103-K112 IonicContact OE1-NZ 3.17Å; E103-K112 PolarHBondContact OE1-NZ 3.5Å; E103-K112 WeakPolarHBondContact OE2-CE 3.45Å; E103-K112 VanDerWaalsContact OE2-CG 3.24Å; E103-K112 WeakPolarHBondContact OE2-CG 3.24Å; E103-M115 HydrophobicContact CB-CE 4.28Å; E103-R130 HydrophobicContact CG-CB 4.34Å; E103-T131 PolarHBondContact N-O 3.2Å; E103-N132 PolarHBondContact O-ND2 3.21Å
104P92.4Very high93.3Very high31 Ų3147 Ų4720%0.20125%0.252CS..  trans-59.8147.1172.4-24.134.7000113.3G66 Y67 F106 N107 N132G66-P104 VanDerWaalsContact O-CG 3.26Å; G66-P104 WeakPolarHBondContact O-CG 3.15Å; Y67-P104 HydrophobicContact CD1-CG 4.33Å; Y67-P104 HydrophobicContact CE1-CB 4.31Å; P104-F106 PolarHBondContact O-N 3.47Å; P104-N107 HydrophobicContact CB-CB 4.28Å; P104-N107 PolarHBondContact O-N 3.01Å; P104-N132 VanDerWaalsContact C-ND2 3.34Å; P104-N132 PolarHBondContact O-ND2 3.48Å
105Y88.7Confident93.9Very high17 Ų1745.8 Ų45.87%0.06725%0.247CC..THydrogen-bonded Turntrans-51.2-34.9-178-61.7-81.5000114.6N132 A134 D157 H164 V166Y105-N132 VanDerWaalsContact CA-ND2 3.31Å; Y105-N132 WeakPolarHBondContact CA-ND2 3.43Å; Y105-N132 HydrophobicContact CD1-CB 3.78Å; Y105-N132 HydrophobicContact CE1-CB 3.64Å; Y105-N132 PolarHBondContact N-ND2 3.29Å; Y105-A134 HydrophobicContact CE1-CB 3.77Å; Y105-A134 WeakPolarHBondContact OH-CB 3.28Å; Y105-A134 PolarHBondContact OH-N 3.41Å; Y105-D157 PolarHBondContact OH-OD2 3.07Å; Y105-H164 HydrophobicContact CD2-CB 4.3Å; Y105-H164 AromaticContact CD2-CD2 3.53Å; Y105-H164 AromaticContact CD2-CG 3.74Å; Y105-H164 AromaticContact CD2-NE2 3.76Å; Y105-H164 HydrophobicContact CE2-CB 3.87Å; Y105-H164 AromaticContact CE2-CD2 3.93Å; Y105-H164 AromaticContact CE2-CG 3.61Å; Y105-H164 AromaticContact CE2-ND1 3.79Å; Y105-V166 HydrophobicContact CD1-CG1 4.33Å; Y105-V166 HydrophobicContact CD1-CG2 4.25Å; Y105-V166 HydrophobicContact CE1-CB 4.4Å; Y105-V166 HydrophobicContact CE1-CG1 3.91Å; Y105-V166 HydrophobicContact CE1-CG2 3.64Å; Y105-V166 HydrophobicContact CE2-CG2 4.15Å
106F90Very high94.4Very high96 Ų9645.9 Ų45.942%0.42124%0.244SC..THydrogen-bonded Turntrans-13053.7-177.7-53.1-68000110.2P104 K175 V178P104-F106 PolarHBondContact O-N 3.47Å; F106-K175 HydrophobicContact CE1-CB 4.24Å; F106-K175 HydrophobicContact CE1-CG 4.46Å; F106-V178 HydrophobicContact CE2-CB 3.84Å; F106-V178 HydrophobicContact CE2-CG1 3.72Å; F106-V178 HydrophobicContact CE2-CG2 4.43Å; F106-V178 HydrophobicContact CZ-CB 3.73Å; F106-V178 HydrophobicContact CZ-CG1 4.1Å; F106-V178 HydrophobicContact CZ-CG2 3.95Å
107N93.2Very high94.9Very high13 Ų1346.1 Ų46.17%0.0724%0.242CC..  trans-67.9149.1179.2-16318.7000111.8E103 P104 T111 K112E103-N107 PolarHBondContact OE2-ND2 3.39Å; P104-N107 HydrophobicContact CB-CB 4.28Å; P104-N107 PolarHBondContact O-N 3.01Å; N107-T111 WeakPolarHBondContact OD1-CB 3.26Å; N107-T111 WeakPolarHBondContact OD1-CG2 3.4Å; N107-K112 HydrophobicContact CB-CG 4.35Å; N107-K112 WeakPolarHBondContact O-CE 3.03Å
108F94.7Very high95.1Very high116 Ų11646.6 Ų46.651%0.50925%0.245SC..  trans-72.5146.5-179.6-60.4-72.8000111.2Y67 S110 T111 K112Y67-F108 AromaticContact CD1-CD2 3.93Å; Y67-F108 HydrophobicContact CD1-CD2 3.93Å; Y67-F108 AromaticContact CD1-CE2 3.75Å; Y67-F108 HydrophobicContact CD1-CE2 3.75Å; Y67-F108 HydrophobicContact CD2-CE2 4.39Å; Y67-F108 HydrophobicContact CE1-CD2 4.11Å; Y67-F108 AromaticContact CE1-CE2 3.75Å; Y67-F108 HydrophobicContact CE1-CE2 3.75Å; Y67-F108 HydrophobicContact CE1-CZ 4.46Å; Y67-F108 HydrophobicContact CE2-CE2 4.42Å; Y67-F108 HydrophobicContact CG-CE2 4.08Å; F108-S110 VanDerWaalsContact C-N 3.28Å; F108-S110 PolarHBondContact O-N 3.34Å; F108-T111 PolarHBondContact O-N 3.15Å; F108-T111 VanDerWaalsContact O-N 3.17Å; F108-K112 WeakPolarHBondContact O-CB 3.25Å; F108-K112 WeakPolarHBondContact O-CG 3.23Å; F108-K112 PolarHBondContact O-N 3.07Å
109S95.4Very high95.1Very high84 Ų8443.2 Ų43.259%0.58723%0.226SC*.Hα-helixtrans-58-40.1177.4-55.20000112.4T111 K112 E113S109-T111 PolarHBondContact O-N 3.17Å; S109-K112 VanDerWaalsContact O-CB 3.28Å; S109-K112 WeakPolarHBondContact O-CB 3.24Å; S109-K112 PolarHBondContact O-N 3.01Å; S109-E113 WeakPolarHBondContact O-CB 2.94Å; S109-E113 WeakPolarHBondContact O-CG 3.48Å; S109-E113 PolarHBondContact O-N 2.82Å
110S95Very high95.1Very high79 Ų7947.5 Ų47.555%0.55225%0.245SC*.Hα-helixtrans-63.6-41.2176.653.40000112.7F108 K112 E113 A114F108-S110 VanDerWaalsContact C-N 3.28Å; F108-S110 PolarHBondContact O-N 3.34Å; S110-K112 VanDerWaalsContact C-N 3.31Å; S110-K112 PolarHBondContact O-N 2.94Å; S110-E113 PolarHBondContact O-N 3.45Å; S110-A114 WeakPolarHBondContact O-CB 3.38Å; S110-A114 PolarHBondContact O-N 3.29Å
111T94.4Very high95.1Very high14 Ų1451.6 Ų51.69%0.08626%0.263CS..Hα-helixtrans-66.5-36.4175.1-51.80000111.3W71 N107 F108 S109 M115W71-T111 HydrophobicContact CZ2-CG2 3.9Å; N107-T111 WeakPolarHBondContact OD1-CB 3.26Å; N107-T111 WeakPolarHBondContact OD1-CG2 3.4Å; F108-T111 PolarHBondContact O-N 3.15Å; F108-T111 VanDerWaalsContact O-N 3.17Å; S109-T111 PolarHBondContact O-N 3.17Å; T111-M115 WeakPolarHBondContact O-CB 3.44Å; T111-M115 PolarHBondContact O-N 2.82Å
112K95.9Very high94.9Very high58 Ų5856.7 Ų56.725%0.25229%0.291SS..Hα-helixtrans-63.9-44174.4-80.6179.4-170.6-156.30112.2E103 N107 F108 S109 S110 N116 R130E103-K112 WeakPolarHBondContact OE1-CE 3.44Å; E103-K112 IonicContact OE1-NZ 3.17Å; E103-K112 PolarHBondContact OE1-NZ 3.5Å; E103-K112 WeakPolarHBondContact OE2-CE 3.45Å; E103-K112 VanDerWaalsContact OE2-CG 3.24Å; E103-K112 WeakPolarHBondContact OE2-CG 3.24Å; N107-K112 HydrophobicContact CB-CG 4.35Å; N107-K112 WeakPolarHBondContact O-CE 3.03Å; F108-K112 WeakPolarHBondContact O-CB 3.25Å; F108-K112 WeakPolarHBondContact O-CG 3.23Å; F108-K112 PolarHBondContact O-N 3.07Å; S109-K112 VanDerWaalsContact O-CB 3.28Å; S109-K112 WeakPolarHBondContact O-CB 3.24Å; S109-K112 PolarHBondContact O-N 3.01Å; S110-K112 VanDerWaalsContact C-N 3.31Å; S110-K112 PolarHBondContact O-N 2.94Å; K112-N116 PolarHBondContact O-N 3.2Å; K112-N116 VanDerWaalsContact O-N 3.15Å; K112-N116 PolarHBondContact O-OD1 2.94Å; K112-R130 VanDerWaalsContact C-NH1 3.31Å; K112-R130 VanDerWaalsContact CB-NH1 3.3Å; K112-R130 PolarHBondContact O-NH1 2.91Å
113E96.5Very high94.8Very high128 Ų12857.6 Ų57.660%0.59829%0.294SS*.Hα-helixtrans-66.1-48.9177.4-74163.2-171.300110.9S109 S110 M115 N116 E117S109-E113 WeakPolarHBondContact O-CB 2.94Å; S109-E113 WeakPolarHBondContact O-CG 3.48Å; S109-E113 PolarHBondContact O-N 2.82Å; S110-E113 PolarHBondContact O-N 3.45Å; E113-M115 VanDerWaalsContact C-N 3.26Å; E113-M115 PolarHBondContact O-N 3.39Å; E113-N116 WeakPolarHBondContact O-CA 3.49Å; E113-N116 WeakPolarHBondContact O-CB 3.32Å; E113-N116 PolarHBondContact O-N 3.35Å; E113-E117 PolarHBondContact O-N 3.31Å
114A96.2Very high94.7Very high22 Ų2262.5 Ų62.518%0.18232%0.317CS..Hα-helixtrans-57.4-39.6175.500000112.3W71 S110 N116 E117 I118W71-A114 HydrophobicContact CZ2-CB 4.1Å; S110-A114 WeakPolarHBondContact O-CB 3.38Å; S110-A114 PolarHBondContact O-N 3.29Å; A114-N116 VanDerWaalsContact C-N 3.34Å; A114-N116 PolarHBondContact O-N 3.44Å; A114-E117 PolarHBondContact O-N 3.35Å; A114-I118 WeakPolarHBondContact O-CB 3.22Å; A114-I118 WeakPolarHBondContact O-CD1 3.37Å; A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.28Å; A114-I118 PolarHBondContact O-N 2.83Å
115M96.4Very high94.9Very high1 Ų161.5 Ų61.51%0.00531%0.31CS..Hα-helixtrans-62-41.3174.7-172.3178.2-61.100112.1M10 I68 W71 V101 E103 T111 E113 F119 R130M10-M115 HydrophobicContact CE-CE 3.25Å; M10-M115 HydrophobicContact CE-CG 4.38Å; M10-M115 HydrophobicContact CE-SD 3.75Å; I68-M115 HydrophobicContact CD1-CE 4.45Å; W71-M115 HydrophobicContact CH2-CB 3.67Å; W71-M115 HydrophobicContact CH2-CE 4.07Å; W71-M115 HydrophobicContact CH2-CG 4.02Å; W71-M115 HydrophobicContact CZ2-CB 4.05Å; V101-M115 HydrophobicContact CG1-SD 3.69Å; V101-M115 HydrophobicContact CG2-SD 4.34Å; E103-M115 HydrophobicContact CB-CE 4.28Å; T111-M115 WeakPolarHBondContact O-CB 3.44Å; T111-M115 PolarHBondContact O-N 2.82Å; E113-M115 VanDerWaalsContact C-N 3.26Å; E113-M115 PolarHBondContact O-N 3.39Å; M115-F119 HydrophobicContact CG-CD2 3.65Å; M115-F119 HydrophobicContact CG-CE2 3.58Å; M115-F119 WeakPolarHBondContact O-CD2 3.28Å; M115-F119 PolarHBondContact O-N 2.88Å; M115-F119 VanDerWaalsContact O-N 3.13Å; M115-F119 HydrophobicContact SD-CE2 4.33Å; M115-R130 HydrophobicContact SD-CG 3.92Å
116N96.7Very high95.2Very high45 Ų4563.4 Ų63.424%0.24133%0.329CS..Hα-helixtrans-66.3-48.3177.6-72.7-4000111.2K112 E113 A114 I118 F119 F120 L128 R130K112-N116 PolarHBondContact O-N 3.2Å; K112-N116 VanDerWaalsContact O-N 3.15Å; K112-N116 PolarHBondContact O-OD1 2.94Å; E113-N116 WeakPolarHBondContact O-CA 3.49Å; E113-N116 WeakPolarHBondContact O-CB 3.32Å; E113-N116 PolarHBondContact O-N 3.35Å; A114-N116 VanDerWaalsContact C-N 3.34Å; A114-N116 PolarHBondContact O-N 3.44Å; N116-I118 PolarHBondContact O-N 2.9Å; N116-F119 PolarHBondContact O-N 2.91Å; N116-F120 HydrophobicContact CB-CD2 4.35Å; N116-F120 WeakPolarHBondContact O-CB 3.48Å; N116-F120 VanDerWaalsContact O-CD2 3.29Å; N116-F120 WeakPolarHBondContact O-CD2 3.39Å; N116-F120 PolarHBondContact O-N 2.97Å; N116-L128 VanDerWaalsContact OD1-CD2 3.29Å; N116-L128 WeakPolarHBondContact OD1-CD2 3.37Å; N116-R130 VanDerWaalsContact CG-NH1 3.28Å; N116-R130 PolarHBondContact ND2-NH1 3.03Å; N116-R130 VanDerWaalsContact ND2-NH1 3.16Å; N116-R130 PolarHBondContact OD1-NE 3.49Å; N116-R130 PolarHBondContact OD1-NH1 3.3Å
117E97.1Very high95.5Very high114 Ų11459.6 Ų59.653%0.53332%0.317SS..Hα-helixtrans-54.3-53.9178.1-174.6-179.8153.700110.4E113 A114 F119 F120 E121E113-E117 PolarHBondContact O-N 3.31Å; A114-E117 PolarHBondContact O-N 3.35Å; E117-F119 PolarHBondContact O-N 3.17Å; E117-F120 PolarHBondContact O-N 2.82Å; E117-E121 HydrophobicContact CG-CG 4.36Å; E117-E121 WeakPolarHBondContact O-CA 3.4Å; E117-E121 WeakPolarHBondContact O-CB 3.41Å; E117-E121 WeakPolarHBondContact O-CG 3.17Å; E117-E121 PolarHBondContact O-N 2.86Å
118I96.3Very high95.6Very high16 Ų1660.5 Ų60.58%0.08232%0.322CS..Iπ-helixtrans-59.1-47.6-179.9-70.8166.1000111.9W71 A114 N116 D122 Y123W71-I118 HydrophobicContact CB-CD1 4.1Å; W71-I118 HydrophobicContact CD2-CD1 3.51Å; W71-I118 HydrophobicContact CE3-CD1 3.21Å; W71-I118 HydrophobicContact CG-CD1 3.93Å; W71-I118 HydrophobicContact CH2-CD1 4.45Å; W71-I118 HydrophobicContact CZ3-CD1 3.74Å; A114-I118 WeakPolarHBondContact O-CB 3.22Å; A114-I118 WeakPolarHBondContact O-CD1 3.37Å; A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.28Å; A114-I118 PolarHBondContact O-N 2.83Å; N116-I118 PolarHBondContact O-N 2.9Å; I118-D122 VanDerWaalsContact O-CB 3.29Å; I118-D122 WeakPolarHBondContact O-CB 3.24Å; I118-D122 PolarHBondContact O-N 2.95Å; I118-D122 VanDerWaalsContact O-N 3.1Å; I118-Y123 HydrophobicContact CG2-CD2 3.77Å; I118-Y123 HydrophobicContact CG2-CE2 3.45Å; I118-Y123 VanDerWaalsContact CG2-CE2 3.45Å; I118-Y123 WeakPolarHBondContact O-CD2 3.22Å; I118-Y123 PolarHBondContact O-N 2.77Å; I118-Y123 VanDerWaalsContact O-N 3.14Å
119F96.5Very high95.7Very high3 Ų359.9 Ų59.91%0.01332%0.323CS..Iπ-helixtrans-72.9-32-177.1-74.6-57.5000114L8 M10 L78 L99 V101 M115 N116 E117 Y123 Q124 V125 L128L8-F119 HydrophobicContact CD2-CE1 4.19Å; L8-F119 HydrophobicContact CD2-CZ 3.77Å; M10-F119 HydrophobicContact CE-CE2 4.25Å; M10-F119 HydrophobicContact SD-CE2 4.36Å; M10-F119 HydrophobicContact SD-CZ 4.04Å; L78-F119 HydrophobicContact CD1-CE1 4.28Å; L78-F119 HydrophobicContact CD1-CZ 4.15Å; L99-F119 HydrophobicContact CD2-CB 4.34Å; L99-F119 HydrophobicContact CD2-CD1 3.36Å; L99-F119 HydrophobicContact CD2-CD2 3.97Å; L99-F119 HydrophobicContact CD2-CE1 3.51Å; L99-F119 HydrophobicContact CD2-CE2 4.09Å; L99-F119 HydrophobicContact CD2-CG 3.63Å; L99-F119 HydrophobicContact CD2-CZ 3.89Å; V101-F119 HydrophobicContact CB-CE2 4.49Å; V101-F119 HydrophobicContact CG1-CE2 4.41Å; V101-F119 HydrophobicContact CG2-CE2 4.06Å; V101-F119 HydrophobicContact CG2-CZ 4.31Å; M115-F119 HydrophobicContact CG-CD2 3.65Å; M115-F119 HydrophobicContact CG-CE2 3.58Å; M115-F119 WeakPolarHBondContact O-CD2 3.28Å; M115-F119 PolarHBondContact O-N 2.88Å; M115-F119 VanDerWaalsContact O-N 3.13Å; M115-F119 HydrophobicContact SD-CE2 4.33Å; N116-F119 PolarHBondContact O-N 2.91Å; E117-F119 PolarHBondContact O-N 3.17Å; F119-Y123 AromaticContact CD1-CD2 3.64Å; F119-Y123 HydrophobicContact CD1-CD2 3.64Å; F119-Y123 HydrophobicContact CD1-CE2 4.34Å; F119-Y123 HydrophobicContact CD1-CG 4.3Å; F119-Y123 HydrophobicContact CE1-CD2 4.04Å; F119-Y123 HydrophobicContact CE1-CE2 4.34Å; F119-Y123 CarbonylContact O-C 3.6Å; F119-Q124 PolarHBondContact O-N 3.28Å; F119-V125 HydrophobicContact CB-CG2 4.12Å; F119-V125 WeakPolarHBondContact O-CG2 3.34Å; F119-V125 PolarHBondContact O-N 2.71Å; F119-L128 HydrophobicContact CB-CD1 4.37Å; F119-L128 HydrophobicContact CB-CD2 4.18Å; F119-L128 HydrophobicContact CD2-CD1 4.12Å; F119-L128 HydrophobicContact CD2-CD2 4.3Å; F119-L128 HydrophobicContact CG-CD1 4.4Å
120F96.8Very high95.7Very high94 Ų9460 Ų6041%0.41231%0.31SS..Iπ-helixtrans-86.6-37.2178.4-77.7-62.3000113.6N116 E117 Q124 V125 L128N116-F120 HydrophobicContact CB-CD2 4.35Å; N116-F120 WeakPolarHBondContact O-CB 3.48Å; N116-F120 VanDerWaalsContact O-CD2 3.29Å; N116-F120 WeakPolarHBondContact O-CD2 3.39Å; N116-F120 PolarHBondContact O-N 2.97Å; E117-F120 PolarHBondContact O-N 2.82Å; F120-Q124 VanDerWaalsContact O-CA 3.27Å; F120-Q124 WeakPolarHBondContact O-CA 3.23Å; F120-V125 HydrophobicContact CD1-CG2 4.2Å; F120-V125 WeakPolarHBondContact CD1-O 3.35Å; F120-V125 HydrophobicContact CE1-CG2 4.22Å; F120-L128 HydrophobicContact CE1-CB 4.44Å; F120-L128 HydrophobicContact CE2-CB 3.83Å; F120-L128 HydrophobicContact CE2-CD2 4.16Å; F120-L128 HydrophobicContact CZ-CB 3.65Å
121E96Very high95.7Very high128 Ų12857.1 Ų57.160%0.59829%0.289SS*.Iπ-helixtrans-88.8-51.3-175.7-58.9-170.4-170.100111.4E117 Q124E117-E121 HydrophobicContact CG-CG 4.36Å; E117-E121 WeakPolarHBondContact O-CA 3.4Å; E117-E121 WeakPolarHBondContact O-CB 3.41Å; E117-E121 WeakPolarHBondContact O-CG 3.17Å; E117-E121 PolarHBondContact O-N 2.86Å; E121-Q124 WeakPolarHBondContact O-CG 3.07Å
122D93.6Very high95.7Very high108 Ų10857.8 Ų57.858%0.57829%0.293SS*.Iπ-helixtrans-80.9-47.9-176.5-59.2-31.9000111.9I118I118-D122 VanDerWaalsContact O-CB 3.29Å; I118-D122 WeakPolarHBondContact O-CB 3.24Å; I118-D122 PolarHBondContact O-N 2.95Å; I118-D122 VanDerWaalsContact O-N 3.1Å
123Y93.5Very high95.5Very high23 Ų2356 Ų569%0.0929%0.287CS..SBendtrans-94.9-10.7-177.2-60.7-69.6000114.3C75 L78 D79 L82 I118 F119 V125C75-Y123 PolarHBondContact O-OH 3.33Å; L78-Y123 VanDerWaalsContact CB-OH 3.26Å; L78-Y123 WeakPolarHBondContact CB-OH 3.43Å; L78-Y123 HydrophobicContact CD1-CE2 4.3Å; D79-Y123 WeakPolarHBondContact OD1-CE1 3.37Å; D79-Y123 PolarHBondContact OD1-OH 2.99Å; L82-Y123 HydrophobicContact CD1-CD1 3.55Å; L82-Y123 HydrophobicContact CD1-CE1 3.4Å; L82-Y123 VanDerWaalsContact CD1-CE1 3.4Å; L82-Y123 HydrophobicContact CD1-CG 4.2Å; I118-Y123 HydrophobicContact CG2-CD2 3.77Å; I118-Y123 HydrophobicContact CG2-CE2 3.45Å; I118-Y123 VanDerWaalsContact CG2-CE2 3.45Å; I118-Y123 WeakPolarHBondContact O-CD2 3.22Å; I118-Y123 PolarHBondContact O-N 2.77Å; I118-Y123 VanDerWaalsContact O-N 3.14Å; F119-Y123 AromaticContact CD1-CD2 3.64Å; F119-Y123 HydrophobicContact CD1-CD2 3.64Å; F119-Y123 HydrophobicContact CD1-CE2 4.34Å; F119-Y123 HydrophobicContact CD1-CG 4.3Å; F119-Y123 HydrophobicContact CE1-CD2 4.04Å; F119-Y123 HydrophobicContact CE1-CE2 4.34Å; F119-Y123 CarbonylContact O-C 3.6Å; Y123-V125 VanDerWaalsContact C-N 3.28Å; Y123-V125 PolarHBondContact O-N 3.24Å
124Q94.3Very high95.3Very high122 Ų12249.9 Ų49.957%0.5726%0.258SS*.  trans56.131.9172.4-57.6-176.3-21.500115.4S95 F119 F120 E121S95-Q124 VanDerWaalsContact CA-O 3.23Å; S95-Q124 WeakPolarHBondContact CA-O 3.47Å; F119-Q124 PolarHBondContact O-N 3.28Å; F120-Q124 VanDerWaalsContact O-CA 3.27Å; F120-Q124 WeakPolarHBondContact O-CA 3.23Å; E121-Q124 WeakPolarHBondContact O-CG 3.07Å
125V95.1Very high95.1Very high10 Ų1052.5 Ų52.56%0.06127%0.266CS..  trans-60.3146-177.8-56.90000112.4L99 F119 F120 Y123 G127 L128L99-V125 HydrophobicContact CB-CB 4.32Å; L99-V125 HydrophobicContact CB-CG1 4.14Å; L99-V125 HydrophobicContact CB-CG2 4.34Å; L99-V125 HydrophobicContact CD2-CG1 4.21Å; F119-V125 HydrophobicContact CB-CG2 4.12Å; F119-V125 WeakPolarHBondContact O-CG2 3.34Å; F119-V125 PolarHBondContact O-N 2.71Å; F120-V125 HydrophobicContact CD1-CG2 4.2Å; F120-V125 WeakPolarHBondContact CD1-O 3.35Å; F120-V125 HydrophobicContact CE1-CG2 4.22Å; Y123-V125 VanDerWaalsContact C-N 3.28Å; Y123-V125 PolarHBondContact O-N 3.24Å; V125-G127 PolarHBondContact O-N 3.26Å; V125-L128 HydrophobicContact CG2-CB 4.38Å
126A95Very high94.9Very high57 Ų5755 Ų5547%0.47128%0.279SS..SBendtrans-64.6-29.8-178.200000113.2S95 H97S95-A126 WeakPolarHBondContact O-CB 3.43Å; H97-A126 PolarHBondContact O-N 3.32Å
127G96.2Very high94.6Very high17 Ų1754.4 Ų54.418%0.17528%0.278CS..EExtended strand (participates in β ladder)trans-167.3151.9-178.300000110.6N98 L99 V125N98-G127 CarbonylContact C-O 3.57Å; N98-G127 WeakPolarHBondContact CA-O 3.38Å; N98-G127 WeakPolarHBondContact OD1-CA 3.25Å; N98-G127 PolarHBondContact OD1-N 3.28Å; L99-G127 PolarHBondContact N-O 2.93Å; V125-G127 PolarHBondContact O-N 3.26Å
128L96.9Very high94.2Very high31 Ų3149.3 Ų49.316%0.16226%0.256CS..EExtended strand (participates in β ladder)trans-132.1125.6-174.1-177.165.5000111.1L99 V101 N116 F119 F120 V125 R130L99-L128 HydrophobicContact CB-CD1 3.95Å; L99-L128 HydrophobicContact CD2-CD1 3.74Å; L99-L128 HydrophobicContact CG-CD1 3.79Å; L99-L128 CarbonylContact O-C 3.57Å; L99-L128 WeakPolarHBondContact O-CA 3.23Å; V101-L128 HydrophobicContact CB-CD1 4.41Å; V101-L128 HydrophobicContact CG1-CD1 3.68Å; N116-L128 VanDerWaalsContact OD1-CD2 3.29Å; N116-L128 WeakPolarHBondContact OD1-CD2 3.37Å; F119-L128 HydrophobicContact CB-CD1 4.37Å; F119-L128 HydrophobicContact CB-CD2 4.18Å; F119-L128 HydrophobicContact CD2-CD1 4.12Å; F119-L128 HydrophobicContact CD2-CD2 4.3Å; F119-L128 HydrophobicContact CG-CD1 4.4Å; F120-L128 HydrophobicContact CE1-CB 4.44Å; F120-L128 HydrophobicContact CE2-CB 3.83Å; F120-L128 HydrophobicContact CE2-CD2 4.16Å; F120-L128 HydrophobicContact CZ-CB 3.65Å; V125-L128 HydrophobicContact CG2-CB 4.38Å; L128-R130 HydrophobicContact CD2-CG 4.48Å; L128-R130 HydrophobicContact CG-CG 4.43Å
129I96.4Very high93.9Very high103 Ų10356 Ų5653%0.52828%0.281SS..EExtended strand (participates in β ladder)trans-116.4120.9168.7-63.2176.8000108L99 I100 V101L99-I129 PolarHBondContact O-N 3.33Å; I100-I129 CarbonylContact C-O 3.58Å; I100-I129 WeakPolarHBondContact CA-O 3.47Å; I100-I129 HydrophobicContact CG1-CB 4.27Å; V101-I129 PolarHBondContact N-O 2.77Å
130R95.9Very high93.5Very high87 Ų8761.6 Ų61.633%0.32831%0.305SS..EExtended strand (participates in β ladder)trans-95133.3169.3-62.6166.5-62.3-171.22.7108.7V101 E103 K112 M115 N116 L128V101-R130 HydrophobicContact CG1-CB 4.39Å; V101-R130 HydrophobicContact CG1-CG 3.72Å; V101-R130 CarbonylContact O-C 3.53Å; V101-R130 WeakPolarHBondContact O-CA 3.26Å; E103-R130 HydrophobicContact CG-CB 4.34Å; K112-R130 VanDerWaalsContact C-NH1 3.31Å; K112-R130 VanDerWaalsContact CB-NH1 3.3Å; K112-R130 PolarHBondContact O-NH1 2.91Å; M115-R130 HydrophobicContact SD-CG 3.92Å; N116-R130 VanDerWaalsContact CG-NH1 3.28Å; N116-R130 PolarHBondContact ND2-NH1 3.03Å; N116-R130 VanDerWaalsContact ND2-NH1 3.16Å; N116-R130 PolarHBondContact OD1-NE 3.49Å; N116-R130 PolarHBondContact OD1-NH1 3.3Å; L128-R130 HydrophobicContact CD2-CG 4.48Å; L128-R130 HydrophobicContact CG-CG 4.43Å
131T94.9Very high93Very high18 Ų1860.7 Ų60.711%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-145.2175.7179.2-166.80000111.3I100 V101 T102 E103 F135 L136I100-T131 HydrophobicContact CG2-CG2 3.97Å; V101-T131 PolarHBondContact O-N 3.43Å; T102-T131 CarbonylContact C-O 3.57Å; T102-T131 VanDerWaalsContact CA-O 3.24Å; T102-T131 WeakPolarHBondContact CA-O 3.48Å; E103-T131 PolarHBondContact N-O 3.2Å; T131-F135 HydrophobicContact CG2-CD1 4.49Å; T131-F135 WeakPolarHBondContact OG1-CB 3.19Å; T131-F135 WeakPolarHBondContact OG1-CD1 3.38Å; T131-F135 WeakPolarHBondContact OG1-CG 3.44Å; T131-L136 HydrophobicContact CG2-CD1 4Å; T131-L136 HydrophobicContact CG2-CD2 3.98Å; T131-L136 HydrophobicContact CG2-CG 3.85Å
132N93.3Very high92.3Very high29 Ų2961.2 Ų61.216%0.15530%0.296CS..  trans-100.9150.1176.4-57.2119.4000110.8E103 P104 Y105 A134 F135 L136E103-N132 PolarHBondContact O-ND2 3.21Å; P104-N132 VanDerWaalsContact C-ND2 3.34Å; P104-N132 PolarHBondContact O-ND2 3.48Å; Y105-N132 VanDerWaalsContact CA-ND2 3.31Å; Y105-N132 WeakPolarHBondContact CA-ND2 3.43Å; Y105-N132 HydrophobicContact CD1-CB 3.78Å; Y105-N132 HydrophobicContact CE1-CB 3.64Å; Y105-N132 PolarHBondContact N-ND2 3.29Å; N132-A134 VanDerWaalsContact C-N 3.28Å; N132-A134 PolarHBondContact O-N 3.06Å; N132-F135 WeakPolarHBondContact O-CB 3.48Å; N132-F135 PolarHBondContact O-N 2.85Å; N132-L136 PolarHBondContact O-N 2.92Å
133P93Very high91.9Very high20 Ų2060 Ų6013%0.1330%0.296CS..Hα-helixtrans-58.1-39179.421.9-32.3000112.4F135 L136 S137 M340P133-F135 VanDerWaalsContact C-N 3.29Å; P133-F135 PolarHBondContact O-N 3.3Å; P133-L136 PolarHBondContact O-N 3.06Å; P133-S137 PolarHBondContact O-N 3.33Å; P133-S137 PolarHBondContact O-OG 3.41Å; P133-M340 HydrophobicContact CB-CE 3.71Å
134A91.5Very high91.5Very high0 Ų065.2 Ų65.20%032%0.321CS..Hα-helixtrans-59.9-35.3174.900000113.6Y105 N132 L136 S137 A138 V155 V166 M168Y105-A134 HydrophobicContact CE1-CB 3.77Å; Y105-A134 WeakPolarHBondContact OH-CB 3.28Å; Y105-A134 PolarHBondContact OH-N 3.41Å; N132-A134 VanDerWaalsContact C-N 3.28Å; N132-A134 PolarHBondContact O-N 3.06Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 3.43Å; A134-S137 PolarHBondContact O-N 3.44Å; A134-A138 VanDerWaalsContact O-CB 3.22Å; A134-A138 WeakPolarHBondContact O-CB 3.43Å; A134-A138 PolarHBondContact O-N 3.21Å; A134-V155 HydrophobicContact CB-CB 3.95Å; A134-V155 HydrophobicContact CB-CG1 3.71Å; A134-V155 HydrophobicContact CB-CG2 4.21Å; A134-V166 HydrophobicContact CB-CB 4.32Å; A134-V166 HydrophobicContact CB-CG1 4.12Å; A134-V166 HydrophobicContact CB-CG2 4.46Å; A134-M168 HydrophobicContact CB-SD 4.27Å
135F91.7Very high90.7Very high76 Ų7661.2 Ų61.233%0.33331%0.307SS..Hα-helixtrans-62.1-44.2178.4173.5-90.2000111T131 N132 P133 A138 Y139 G171T131-F135 HydrophobicContact CG2-CD1 4.49Å; T131-F135 WeakPolarHBondContact OG1-CB 3.19Å; T131-F135 WeakPolarHBondContact OG1-CD1 3.38Å; T131-F135 WeakPolarHBondContact OG1-CG 3.44Å; N132-F135 WeakPolarHBondContact O-CB 3.48Å; N132-F135 PolarHBondContact O-N 2.85Å; P133-F135 VanDerWaalsContact C-N 3.29Å; P133-F135 PolarHBondContact O-N 3.3Å; F135-A138 WeakPolarHBondContact O-CB 3.47Å; F135-A138 PolarHBondContact O-N 3.32Å; F135-Y139 WeakPolarHBondContact O-CB 3.49Å; F135-Y139 PolarHBondContact O-N 3.41Å; F135-G171 VanDerWaalsContact CD2-O 3.3Å; F135-G171 WeakPolarHBondContact CD2-O 3.35Å
136L92.6Very high89.2Confident55 Ų5565.9 Ų65.929%0.28835%0.346SS..Hα-helixtrans-66.7-42.6178.6-63.4177.4000111.6I100 T102 T131 N132 P133 A134 Y139 K140I100-L136 HydrophobicContact CG2-CD2 4.42Å; T102-L136 HydrophobicContact CG2-CD1 3.78Å; T131-L136 HydrophobicContact CG2-CD1 4Å; T131-L136 HydrophobicContact CG2-CD2 3.98Å; T131-L136 HydrophobicContact CG2-CG 3.85Å; N132-L136 PolarHBondContact O-N 2.92Å; P133-L136 PolarHBondContact O-N 3.06Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 3.43Å; L136-Y139 WeakPolarHBondContact O-CB 3.5Å; L136-Y139 PolarHBondContact O-N 2.55Å; L136-K140 PolarHBondContact O-N 2.98Å
137S90Very high87.7Confident31 Ų3170.6 Ų70.622%0.21736%0.358CS..Hα-helixtrans-62.4-47.1175.2-64.40000111.5P133 A134 Y139 K140 Y141 M338 M340P133-S137 PolarHBondContact O-N 3.33Å; P133-S137 PolarHBondContact O-OG 3.41Å; A134-S137 PolarHBondContact O-N 3.44Å; S137-Y139 VanDerWaalsContact C-N 3.27Å; S137-Y139 PolarHBondContact O-N 3.28Å; S137-K140 PolarHBondContact O-N 3.47Å; S137-Y141 PolarHBondContact O-N 3.08Å; S137-M338 WeakPolarHBondContact O-CE 3.48Å; S137-M340 WeakPolarHBondContact OG-CE 3.42Å; S137-M340 PolarHBondContact OG-SD 3.27Å
138A89.3Confident86.1Confident8 Ų876.1 Ų76.17%0.06637%0.374CS..Hα-helixtrans-55.7-44.1175.600000112.3A134 F135 Y141 R142 M168A134-A138 VanDerWaalsContact O-CB 3.22Å; A134-A138 WeakPolarHBondContact O-CB 3.43Å; A134-A138 PolarHBondContact O-N 3.21Å; F135-A138 WeakPolarHBondContact O-CB 3.47Å; F135-A138 PolarHBondContact O-N 3.32Å; A138-Y141 PolarHBondContact O-N 3.37Å; A138-R142 VanDerWaalsContact O-CB 3.28Å; A138-R142 WeakPolarHBondContact O-CB 3.46Å; A138-R142 PolarHBondContact O-N 2.77Å; A138-M168 HydrophobicContact CB-CE 3.15Å; A138-M168 HydrophobicContact CB-SD 3.66Å
139Y89.4Confident84.8Confident156 Ų15680.2 Ų80.261%0.61240%0.395SS*.Hα-helixtrans-61.5-47.9179-178-91.9000110.8F135 L136 S137 R142 S143F135-Y139 WeakPolarHBondContact O-CB 3.49Å; F135-Y139 PolarHBondContact O-N 3.41Å; L136-Y139 WeakPolarHBondContact O-CB 3.5Å; L136-Y139 PolarHBondContact O-N 2.55Å; S137-Y139 VanDerWaalsContact C-N 3.27Å; S137-Y139 PolarHBondContact O-N 3.28Å; Y139-R142 PolarHBondContact O-N 2.82Å; Y139-S143 PolarHBondContact O-N 3.19Å; Y139-S143 PolarHBondContact O-OG 2.88Å
140K88.6Confident84.2Confident120 Ų12076.7 Ų76.752%0.52238%0.38SS..Hα-helixtrans-58.6-51175.3-178.9-178.3176.7-177.40111.8L136 S137 R142 S143 E144L136-K140 PolarHBondContact O-N 2.98Å; S137-K140 PolarHBondContact O-N 3.47Å; K140-R142 VanDerWaalsContact C-N 3.26Å; K140-R142 PolarHBondContact O-N 2.97Å; K140-S143 WeakPolarHBondContact CA-OG 3.27Å; K140-S143 PolarHBondContact O-N 3.4Å; K140-S143 PolarHBondContact O-OG 3.19Å; K140-E144 WeakPolarHBondContact CE-OE1 3.46Å; K140-E144 WeakPolarHBondContact CE-OE2 3.38Å; K140-E144 HydrophobicContact CG-CG 4.42Å; K140-E144 IonicContact NZ-OE1 3.05Å; K140-E144 PolarHBondContact O-N 2.83Å
141Y85.7Confident83.8Confident75 Ų7578.4 Ų78.429%0.29439%0.386SS..Hα-helixtrans-58.4-40.6179.2174-101.3000111.9S137 A138 S143 E144 S145 N336 M338S137-Y141 PolarHBondContact O-N 3.08Å; A138-Y141 PolarHBondContact O-N 3.37Å; Y141-S143 PolarHBondContact O-N 3.2Å; Y141-E144 PolarHBondContact O-N 3.08Å; Y141-S145 WeakPolarHBondContact CD2-OG 3.2Å; Y141-S145 WeakPolarHBondContact CE2-OG 3.3Å; Y141-S145 WeakPolarHBondContact O-CB 3.13Å; Y141-S145 PolarHBondContact O-N 3.09Å; Y141-S145 PolarHBondContact O-OG 2.98Å; Y141-N336 PolarHBondContact OH-OD1 2.96Å; Y141-M338 WeakPolarHBondContact CB-SD 3.47Å; Y141-M338 HydrophobicContact CD1-CG 4.34Å; Y141-M338 HydrophobicContact CD1-SD 3.65Å; Y141-M338 HydrophobicContact CD2-CE 4.4Å; Y141-M338 HydrophobicContact CD2-CG 4.27Å; Y141-M338 HydrophobicContact CD2-SD 4.16Å; Y141-M338 HydrophobicContact CE1-SD 4.46Å; Y141-M338 HydrophobicContact CG-CE 3.94Å; Y141-M338 HydrophobicContact CG-CG 4.14Å; Y141-M338 HydrophobicContact CG-SD 3.47Å
142R82.3Confident83.7Confident140 Ų14079.1 Ų79.153%0.52839%0.387SS..Hα-helixtrans-65.1-36.2175.3-179.3178.7170.9-179.7-3.7112.7A138 Y139 K140A138-R142 VanDerWaalsContact O-CB 3.28Å; A138-R142 WeakPolarHBondContact O-CB 3.46Å; A138-R142 PolarHBondContact O-N 2.77Å; Y139-R142 PolarHBondContact O-N 2.82Å; K140-R142 VanDerWaalsContact C-N 3.26Å; K140-R142 PolarHBondContact O-N 2.97Å
143S84.3Confident83.6Confident82 Ų8278.5 Ų78.557%0.57339%0.385SS*.Hα-helixtrans-74.6-31.2178.358.10000113.7Y139 K140 Y141Y139-S143 PolarHBondContact O-N 3.19Å; Y139-S143 PolarHBondContact O-OG 2.88Å; K140-S143 WeakPolarHBondContact CA-OG 3.27Å; K140-S143 PolarHBondContact O-N 3.4Å; K140-S143 PolarHBondContact O-OG 3.19Å; Y141-S143 PolarHBondContact O-N 3.2Å
144E84.9Confident83.7Confident132 Ų13277.5 Ų77.562%0.61738%0.379SS*.Hα-helixtrans-92-24.4-176.7-68.4178.4167.200113.1K140 Y141 A146K140-E144 WeakPolarHBondContact CE-OE1 3.46Å; K140-E144 WeakPolarHBondContact CE-OE2 3.38Å; K140-E144 HydrophobicContact CG-CG 4.42Å; K140-E144 IonicContact NZ-OE1 3.05Å; K140-E144 PolarHBondContact O-N 2.83Å; Y141-E144 PolarHBondContact O-N 3.08Å; E144-A146 PolarHBondContact O-N 2.85Å
145S77.2Confident83.8Confident39 Ų3977.5 Ų77.527%0.27338%0.379SS..  trans-77.3109.9-177.8-62.10000111.7Y141 Q147Y141-S145 WeakPolarHBondContact CD2-OG 3.2Å; Y141-S145 WeakPolarHBondContact CE2-OG 3.3Å; Y141-S145 WeakPolarHBondContact O-CB 3.13Å; Y141-S145 PolarHBondContact O-N 3.09Å; Y141-S145 PolarHBondContact O-OG 2.98Å; S145-Q147 PolarHBondContact O-N 2.8Å
146A65.1Low84Confident107 Ų10774 Ų7488%0.88436%0.363SS*.SBendtrans-64.3-26.3175.400000113.3E144E144-A146 PolarHBondContact O-N 2.85Å
147Q63.3Low84.2Confident156 Ų15672.1 Ų72.173%0.72935%0.354SS*.SBendtrans-122.7113-178.5-67.9-177.9-9.100110.3S145 L149S145-Q147 PolarHBondContact O-N 2.8Å; Q147-L149 PolarHBondContact O-N 2.83Å
148R62.6Low84.5Confident134 Ų13470.7 Ų70.751%0.50634%0.343SS..  trans-85.595176.1-168.7174.5-174.7-168.9-3.4109.1S150 D170R148-S150 VanDerWaalsContact C-N 3.26Å; R148-S150 WeakPolarHBondContact CG-O 3.34Å; R148-S150 PolarHBondContact O-N 3.36Å; R148-D170 IonicContact NH2-OD1 3.62Å; R148-D170 PolarHBondContact NH2-OD1 3.26Å
149L69.3Low84.8Confident116 Ų11671 Ų7161%0.60735%0.348SS*.  trans-65.4-31.2178-66.3172.7000112.2Q147 A335Q147-L149 PolarHBondContact O-N 2.83Å; L149-A335 HydrophobicContact CB-CB 4.08Å; L149-A335 HydrophobicContact CD1-CB 4.39Å
150S82.4Confident85Confident29 Ų2966.4 Ų66.420%0.20333%0.33CS..  trans-158.4164.1176.4-163.70000112.6R148 Y152 G332 N336R148-S150 VanDerWaalsContact C-N 3.26Å; R148-S150 WeakPolarHBondContact CG-O 3.34Å; R148-S150 PolarHBondContact O-N 3.36Å; S150-Y152 VanDerWaalsContact C-N 3.28Å; S150-Y152 PolarHBondContact OG-N 3.12Å; S150-G332 WeakPolarHBondContact OG-CA 3.37Å; S150-N336 WeakPolarHBondContact CB-ND2 3.32Å; S150-N336 PolarHBondContact N-ND2 3.02Å
151R88.4Confident85.3Confident123 Ų12361.7 Ų61.746%0.46431%0.312SS..SBendtrans-80.4-11.416873.5-179-157.3150-5.2113.5D170R151-D170 WeakPolarHBondContact CB-OD1 3.35Å; R151-D170 WeakPolarHBondContact CD-OD2 3.4Å; R151-D170 IonicContact CZ-OD2 3.45Å; R151-D170 IonicContact NE-OD2 3.67Å; R151-D170 IonicContact NH1-OD2 2.75Å; R151-D170 PolarHBondContact NH1-OD2 3.24Å; R151-D170 PolarHBondContact O-N 2.81Å
152Y91.9Very high85.7Confident34 Ų3459.1 Ų59.113%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-102.9147.5178.2-52-71.6000110.5S150 M168 A169 V329 G332 N336S150-Y152 VanDerWaalsContact C-N 3.28Å; S150-Y152 PolarHBondContact OG-N 3.12Å; Y152-M168 VanDerWaalsContact CA-O 3.24Å; Y152-M168 WeakPolarHBondContact CA-O 3.5Å; Y152-A169 HydrophobicContact CD1-CB 3.6Å; Y152-A169 HydrophobicContact CE1-CB 3.65Å; Y152-V329 HydrophobicContact CD1-CB 4.46Å; Y152-V329 HydrophobicContact CD1-CG1 3.72Å; Y152-V329 HydrophobicContact CD1-CG2 4.28Å; Y152-V329 HydrophobicContact CD2-CG1 4.28Å; Y152-V329 HydrophobicContact CE1-CB 4.46Å; Y152-V329 HydrophobicContact CE1-CG1 4.15Å; Y152-V329 HydrophobicContact CE1-CG2 3.83Å; Y152-V329 HydrophobicContact CE2-CG2 4.37Å; Y152-V329 HydrophobicContact CG-CG1 3.79Å; Y152-G332 VanDerWaalsContact O-O 3.1Å; Y152-N336 PolarHBondContact O-ND2 3Å
153C92Very high86.4Confident15 Ų1552.5 Ų52.510%0.10128%0.278CS..EExtended strand (participates in β ladder)trans-154.9163.8170.3570000110.8M168 N336C153-M168 PolarHBondContact N-O 2.8Å; C153-M168 VanDerWaalsContact N-O 3.07Å; C153-M168 PolarHBondContact O-N 2.92Å; C153-M168 WeakPolarHBondContact SG-CE 3.47Å; C153-N336 CarbonylContact C-O 3.45Å; C153-N336 VanDerWaalsContact CA-O 3.29Å; C153-N336 WeakPolarHBondContact CA-O 3.12Å; C153-N336 HydrophobicContact CB-CB 3.43Å; C153-N336 VanDerWaalsContact CB-CB 3.43Å; C153-N336 WeakPolarHBondContact CB-O 3.42Å
154I94.3Very high87Confident0 Ų049.6 Ų49.60%026%0.255CS..EExtended strand (participates in β ladder)trans-116.1124.3173.3-66.4175.8000108.6I156 I165 L320 M321 L325 A333 N336 F337 M338I154-I156 HydrophobicContact CG2-CG1 4.28Å; I154-I165 HydrophobicContact CG2-CG2 3.56Å; I154-L320 HydrophobicContact CD1-CD2 4Å; I154-M321 HydrophobicContact CD1-CE 4.35Å; I154-M321 HydrophobicContact CD1-CG 4.26Å; I154-M321 HydrophobicContact CD1-SD 3.26Å; I154-M321 WeakPolarHBondContact CD1-SD 3.49Å; I154-L325 HydrophobicContact CD1-CD1 4.29Å; I154-A333 HydrophobicContact CD1-CB 3.92Å; I154-A333 HydrophobicContact CG1-CB 4.04Å; I154-N336 PolarHBondContact N-O 3.01Å; I154-F337 HydrophobicContact CB-CD1 3.94Å; I154-F337 HydrophobicContact CB-CE1 3.8Å; I154-F337 HydrophobicContact CB-CZ 4.42Å; I154-F337 HydrophobicContact CD1-CE1 3.88Å; I154-F337 HydrophobicContact CD1-CZ 3.83Å; I154-F337 HydrophobicContact CG1-CE1 4.41Å; I154-F337 HydrophobicContact CG2-CD1 4.03Å; I154-F337 HydrophobicContact CG2-CE1 3.8Å; I154-M338 PolarHBondContact O-N 2.77Å
155V95Very high87.6Confident0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-99.3122.8170176.30000109.2A134 V166 M168 M338 M340A134-V155 HydrophobicContact CB-CB 3.95Å; A134-V155 HydrophobicContact CB-CG1 3.71Å; A134-V155 HydrophobicContact CB-CG2 4.21Å; V155-V166 HydrophobicContact CB-CB 4.29Å; V155-V166 PolarHBondContact N-O 2.73Å; V155-V166 PolarHBondContact O-N 3.45Å; V155-M168 HydrophobicContact CB-CE 4.37Å; V155-M168 HydrophobicContact CG2-CE 3.22Å; V155-M168 HydrophobicContact CG2-SD 4.09Å; V155-M338 CarbonylContact C-O 3.52Å; V155-M338 WeakPolarHBondContact CA-O 3.41Å; V155-M338 HydrophobicContact CG2-CB 4.01Å; V155-M338 HydrophobicContact CG2-SD 4.1Å; V155-M340 HydrophobicContact CG1-CG 3.86Å; V155-M340 HydrophobicContact CG1-SD 3.54Å; V155-M340 VanDerWaalsContact CG1-SD 3.54Å
156I96.5Very high88.5Confident1 Ų141.5 Ų41.51%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-98.5107.7171.1-60.7164.5000107.1I154 T163 H164 L313 I317 F337 M338 V339 M340 L353I154-I156 HydrophobicContact CG2-CG1 4.28Å; I156-T163 HydrophobicContact CG2-CG2 4.29Å; I156-H164 CarbonylContact C-O 3.58Å; I156-H164 WeakPolarHBondContact CA-O 3.49Å; I156-L313 HydrophobicContact CG2-CD1 3.98Å; I156-L313 HydrophobicContact CG2-CD2 4.11Å; I156-I317 HydrophobicContact CD1-CD1 3.48Å; I156-I317 VanDerWaalsContact CD1-CD1 3.48Å; I156-I317 HydrophobicContact CD1-CG1 4.34Å; I156-I317 HydrophobicContact CG1-CD1 4.21Å; I156-F337 HydrophobicContact CD1-CD1 3.88Å; I156-F337 HydrophobicContact CD1-CE1 4.33Å; I156-M338 PolarHBondContact N-O 2.87Å; I156-V339 HydrophobicContact CB-CG1 4.44Å; I156-V339 HydrophobicContact CD1-CG2 4.39Å; I156-V339 HydrophobicContact CG2-CG1 4.45Å; I156-V339 CarbonylContact O-C 3.54Å; I156-V339 WeakPolarHBondContact O-CA 3.27Å; I156-M340 PolarHBondContact O-N 3.35Å; I156-L353 HydrophobicContact CD1-CD1 3.77Å; I156-L353 HydrophobicContact CD1-CD2 4.38Å
157D95.8Very high89.9Confident17 Ų1736.4 Ų36.49%0.09117%0.171CC..EExtended strand (participates in β ladder)trans-10691.3-179.8177.113.2000109.7Y105 G159 T163 H164 M340Y105-D157 PolarHBondContact OH-OD2 3.07Å; D157-G159 PolarHBondContact O-N 2.76Å; D157-T163 CarbonylContact O-C 3.59Å; D157-T163 VanDerWaalsContact O-CA 3.28Å; D157-T163 WeakPolarHBondContact O-CA 3.32Å; D157-H164 HydrophobicContact CB-CB 4.35Å; D157-H164 PolarHBondContact N-O 2.98Å; D157-H164 PolarHBondContact O-N 3.01Å; D157-M340 HydrophobicContact CB-CG 3.79Å; D157-M340 HydrophobicContact CB-SD 4.11Å
158S96.6Very high91.3Very high0 Ų029 Ų290%014%0.136CC..EExtended strand (participates in β ladder)trans-96.190.4178.5-164.90000110.9T163 M340 G341 G342 N343S158-T163 PolarHBondContact OG-OG1 3.25Å; S158-M340 PolarHBondContact N-O 3.35Å; S158-G341 CarbonylContact O-C 3.47Å; S158-G341 VanDerWaalsContact O-C 3.26Å; S158-G341 VanDerWaalsContact O-CA 3.32Å; S158-G341 WeakPolarHBondContact O-CA 3.42Å; S158-G342 PolarHBondContact O-N 3Å; S158-G342 VanDerWaalsContact O-N 3.12Å; S158-N343 PolarHBondContact O-N 2.92Å; S158-N343 VanDerWaalsContact O-N 3.09Å; S158-N343 PolarHBondContact O-ND2 3.33Å; S158-N343 WeakPolarHBondContact OG-CB 3.4Å; S158-N343 PolarHBondContact OG-ND2 3.32Å
159G94.8Very high92.7Very high16 Ų1623.6 Ų23.617%0.16512%0.12CC..  trans-100.7-161.3-173.200000114.6D157 F162 G184 G185 N343D157-G159 PolarHBondContact O-N 2.76Å; G159-F162 PolarHBondContact N-O 3.12Å; G159-G184 WeakPolarHBondContact O-CA 3.22Å; G159-G185 PolarHBondContact O-N 3.4Å; G159-N343 PolarHBondContact O-ND2 2.86Å
160Y94.6Very high93.7Very high58 Ų5821.2 Ų21.223%0.22711%0.108CC..SBendtrans-69.8-45.1-177.6179.9-103.3000113.3M61 G184 G185 K186M61-Y160 HydrophobicContact SD-CE1 4.15Å; M61-Y160 PolarHBondContact SD-OH 3.5Å; M61-Y160 VanDerWaalsContact SD-OH 3.37Å; Y160-G184 CarbonylContact O-C 3.56Å; Y160-G185 PolarHBondContact O-N 3.4Å; Y160-K186 HydrophobicContact CD1-CB 4.36Å; Y160-K186 HydrophobicContact CD2-CB 4.43Å; Y160-K186 HydrophobicContact CE1-CB 3.91Å; Y160-K186 HydrophobicContact CE1-CD 3.89Å; Y160-K186 HydrophobicContact CE1-CG 4.29Å; Y160-K186 HydrophobicContact CE2-CB 3.99Å; Y160-K186 WeakPolarHBondContact O-CB 3.5Å; Y160-K186 PolarHBondContact O-N 2.91Å
161S94.4Very high93.8Very high21 Ų2120.8 Ų20.815%0.14711%0.108CC..SBendtrans-95.3-31.1-175.8-68.20000114.1G66 T182G66-S161 PolarHBondContact N-OG 3.15Å; G66-S161 VanDerWaalsContact N-OG 3.11Å; S161-T182 VanDerWaalsContact O-O 3.08Å
162F94.6Very high94Very high22 Ų2220.7 Ų20.710%0.09612%0.117CC..  trans-151.8166.4-169.6-58.5-58.6000110.8K65 G159 H164 R180 L181 V183K65-F162 VanDerWaalsContact C-CZ 3.44Å; K65-F162 HydrophobicContact CB-CZ 3.93Å; K65-F162 WeakPolarHBondContact O-CE2 3.42Å; K65-F162 WeakPolarHBondContact O-CZ 3.4Å; G159-F162 PolarHBondContact N-O 3.12Å; F162-H164 AromaticContact CD2-CE1 3.94Å; F162-R180 HydrophobicContact CB-CG 4.06Å; F162-R180 HydrophobicContact CD1-CG 4.3Å; F162-R180 HydrophobicContact CG-CG 4.1Å; F162-L181 WeakPolarHBondContact CB-O 3.42Å; F162-V183 CarbonylContact C-O 3.26Å
163T96.1Very high94Very high1 Ų120.6 Ų20.61%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-113.9124.7162.8-57.50000109.4I156 D157 S158 L181 V183 L313I156-T163 HydrophobicContact CG2-CG2 4.29Å; D157-T163 CarbonylContact O-C 3.59Å; D157-T163 VanDerWaalsContact O-CA 3.28Å; D157-T163 WeakPolarHBondContact O-CA 3.32Å; S158-T163 PolarHBondContact OG-OG1 3.25Å; T163-L181 PolarHBondContact N-O 3.09Å; T163-L181 PolarHBondContact O-N 3.47Å; T163-V183 PolarHBondContact N-O 3.43Å; T163-V183 VanDerWaalsContact N-O 3.15Å; T163-V183 PolarHBondContact OG1-O 3.03Å; T163-L313 HydrophobicContact CG2-CD1 3.79Å; T163-L313 HydrophobicContact CG2-CD2 4.25Å
164H96.4Very high94.1Very high21 Ų2121.3 Ų21.310%0.09712%0.121CC..EExtended strand (participates in β ladder)trans-108.8143.1176.5-62.384.9000110.8Y105 I156 D157 F162 V166 I179 R180Y105-H164 HydrophobicContact CD2-CB 4.3Å; Y105-H164 AromaticContact CD2-CD2 3.53Å; Y105-H164 AromaticContact CD2-CG 3.74Å; Y105-H164 AromaticContact CD2-NE2 3.76Å; Y105-H164 HydrophobicContact CE2-CB 3.87Å; Y105-H164 AromaticContact CE2-CD2 3.93Å; Y105-H164 AromaticContact CE2-CG 3.61Å; Y105-H164 AromaticContact CE2-ND1 3.79Å; I156-H164 CarbonylContact C-O 3.58Å; I156-H164 WeakPolarHBondContact CA-O 3.49Å; D157-H164 HydrophobicContact CB-CB 4.35Å; D157-H164 PolarHBondContact N-O 2.98Å; D157-H164 PolarHBondContact O-N 3.01Å; F162-H164 AromaticContact CD2-CE1 3.94Å; H164-V166 HydrophobicContact CB-CG2 3.81Å; H164-I179 CarbonylContact C-O 3.6Å; H164-I179 WeakPolarHBondContact CA-O 3.35Å; H164-R180 WeakPolarHBondContact NE2-CD 3.44Å; H164-R180 WeakPolarHBondContact NE2-CG 3.38Å
165I97.1Very high94.1Very high0 Ų028.3 Ų28.30%015%0.152CC..EExtended strand (participates in β ladder)trans-114.8114.4169.6-54160.4000105.9I154 P167 V178 I179 L313 A316 I317 L320I154-I165 HydrophobicContact CG2-CG2 3.56Å; I165-P167 WeakPolarHBondContact O-CD 3.32Å; I165-V178 WeakPolarHBondContact O-CA 3.43Å; I165-I179 HydrophobicContact CB-CB 4.33Å; I165-I179 HydrophobicContact CD1-CB 4.34Å; I165-I179 HydrophobicContact CD1-CG2 4.38Å; I165-I179 PolarHBondContact N-O 2.85Å; I165-I179 PolarHBondContact O-N 3.05Å; I165-L313 HydrophobicContact CD1-CD1 3.94Å; I165-L313 HydrophobicContact CG1-CD1 3.91Å; I165-A316 HydrophobicContact CD1-CB 3.24Å; I165-I317 HydrophobicContact CD1-CG1 3.83Å; I165-I317 HydrophobicContact CG1-CG1 4.26Å; I165-I317 HydrophobicContact CG2-CG1 4.31Å; I165-L320 HydrophobicContact CB-CD2 4.49Å; I165-L320 HydrophobicContact CG2-CD2 3.43Å; I165-L320 VanDerWaalsContact CG2-CD2 3.43Å
166V96.2Very high94.1Very high0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-122.595.9-165.1-172.40000108.8Y105 A134 V155 H164 M168 V173 V178Y105-V166 HydrophobicContact CD1-CG1 4.33Å; Y105-V166 HydrophobicContact CD1-CG2 4.25Å; Y105-V166 HydrophobicContact CE1-CB 4.4Å; Y105-V166 HydrophobicContact CE1-CG1 3.91Å; Y105-V166 HydrophobicContact CE1-CG2 3.64Å; Y105-V166 HydrophobicContact CE2-CG2 4.15Å; A134-V166 HydrophobicContact CB-CB 4.32Å; A134-V166 HydrophobicContact CB-CG1 4.12Å; A134-V166 HydrophobicContact CB-CG2 4.46Å; V155-V166 HydrophobicContact CB-CB 4.29Å; V155-V166 PolarHBondContact N-O 2.73Å; V155-V166 PolarHBondContact O-N 3.45Å; H164-V166 HydrophobicContact CB-CG2 3.81Å; V166-M168 HydrophobicContact CG1-CG 4.2Å; V166-V173 HydrophobicContact CG1-CB 4.34Å; V166-V173 HydrophobicContact CG1-CG1 3.66Å; V166-V173 HydrophobicContact CG1-CG2 3.87Å; V166-V178 HydrophobicContact CG1-CG2 4.25Å; V166-V178 HydrophobicContact CG2-CG1 4.24Å
167P95.8Very high94.1Very high1 Ų136.4 Ų36.41%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-69.7137.8171.3-1429.6000109.7I165 M174 F177 L320 L325I165-P167 WeakPolarHBondContact O-CD 3.32Å; P167-M174 HydrophobicContact CB-CB 4.27Å; P167-M174 HydrophobicContact CB-SD 4.09Å; P167-M174 WeakPolarHBondContact O-CB 3.38Å; P167-M174 PolarHBondContact O-N 3.09Å; P167-F177 HydrophobicContact CB-CB 4.43Å; P167-F177 WeakPolarHBondContact CD-O 3.14Å; P167-F177 HydrophobicContact CG-CB 3.8Å; P167-F177 WeakPolarHBondContact CG-O 3.35Å; P167-L320 HydrophobicContact CG-CD1 3.9Å; P167-L320 HydrophobicContact CG-CD2 3.7Å; P167-L320 HydrophobicContact CG-CG 4.32Å; P167-L325 HydrophobicContact CB-CD2 4.01Å; P167-L325 HydrophobicContact CG-CD2 4.18Å
168M93Very high94.1Very high0 Ų036.5 Ų36.50%020%0.195CC..EExtended strand (participates in β ladder)trans-130.5146.4178.9-59.1-175.3-55.500111A134 A138 Y152 C153 V155 V166 L172 V173A134-M168 HydrophobicContact CB-SD 4.27Å; A138-M168 HydrophobicContact CB-CE 3.15Å; A138-M168 HydrophobicContact CB-SD 3.66Å; Y152-M168 VanDerWaalsContact CA-O 3.24Å; Y152-M168 WeakPolarHBondContact CA-O 3.5Å; C153-M168 PolarHBondContact N-O 2.8Å; C153-M168 VanDerWaalsContact N-O 3.07Å; C153-M168 PolarHBondContact O-N 2.92Å; C153-M168 WeakPolarHBondContact SG-CE 3.47Å; V155-M168 HydrophobicContact CB-CE 4.37Å; V155-M168 HydrophobicContact CG2-CE 3.22Å; V155-M168 HydrophobicContact CG2-SD 4.09Å; V166-M168 HydrophobicContact CG1-CG 4.2Å; M168-L172 CarbonylContact C-O 3.51Å; M168-L172 WeakPolarHBondContact CA-O 3.46Å; M168-L172 WeakPolarHBondContact CB-O 3.43Å; M168-V173 HydrophobicContact CG-CG2 4.33Å; M168-V173 HydrophobicContact SD-CG2 4.49Å
169A92.3Very high94.1Very high21 Ų2137.3 Ų37.317%0.17420%0.199CC..EExtended strand (participates in β ladder)trans-128.1123.4174.300000108.6Y152 G171 L172 M174Y152-A169 HydrophobicContact CD1-CB 3.6Å; Y152-A169 HydrophobicContact CE1-CB 3.65Å; A169-G171 PolarHBondContact O-N 2.89Å; A169-G171 VanDerWaalsContact O-N 3.1Å; A169-L172 PolarHBondContact N-O 3.29Å; A169-L172 WeakPolarHBondContact O-CB 3.46Å; A169-L172 PolarHBondContact O-N 3.1Å; A169-M174 HydrophobicContact CB-CG 3.97Å; A169-M174 HydrophobicContact CB-SD 3.98Å
170D88.8Confident94.1Very high65 Ų6542 Ų4235%0.34821%0.212SC..THydrogen-bonded Turntrans54.530.1-179.7-70.6-55.8000114.1R148 R151 L172R148-D170 IonicContact NH2-OD1 3.62Å; R148-D170 PolarHBondContact NH2-OD1 3.26Å; R151-D170 WeakPolarHBondContact CB-OD1 3.35Å; R151-D170 WeakPolarHBondContact CD-OD2 3.4Å; R151-D170 IonicContact CZ-OD2 3.45Å; R151-D170 IonicContact NE-OD2 3.67Å; R151-D170 IonicContact NH1-OD2 2.75Å; R151-D170 PolarHBondContact NH1-OD2 3.24Å; R151-D170 PolarHBondContact O-N 2.81Å; D170-L172 VanDerWaalsContact C-N 3.3Å
171G85.9Confident94.2Very high21 Ų2139.6 Ų39.622%0.21620%0.202CC..THydrogen-bonded Turntrans82.41.5-177.500000114.5F135 A169F135-G171 VanDerWaalsContact CD2-O 3.3Å; F135-G171 WeakPolarHBondContact CD2-O 3.35Å; A169-G171 PolarHBondContact O-N 2.89Å; A169-G171 VanDerWaalsContact O-N 3.1Å
172L90.9Very high94.2Very high121 Ų12141.1 Ų41.163%0.63421%0.211SC*.EExtended strand (participates in β ladder)trans-100.5140.2174.8-61.3174.3000110.6M168 A169 D170 M174M168-L172 CarbonylContact C-O 3.51Å; M168-L172 WeakPolarHBondContact CA-O 3.46Å; M168-L172 WeakPolarHBondContact CB-O 3.43Å; A169-L172 PolarHBondContact N-O 3.29Å; A169-L172 WeakPolarHBondContact O-CB 3.46Å; A169-L172 PolarHBondContact O-N 3.1Å; D170-L172 VanDerWaalsContact C-N 3.3Å; L172-M174 PolarHBondContact O-N 3.02Å
173V93.2Very high94.2Very high32 Ų3240.2 Ų40.219%0.19421%0.207CC..EExtended strand (participates in β ladder)trans-70.3127.4177.5176.80000110.6V166 M168 K175 V178V166-V173 HydrophobicContact CG1-CB 4.34Å; V166-V173 HydrophobicContact CG1-CG1 3.66Å; V166-V173 HydrophobicContact CG1-CG2 3.87Å; M168-V173 HydrophobicContact CG-CG2 4.33Å; M168-V173 HydrophobicContact SD-CG2 4.49Å; V173-K175 VanDerWaalsContact C-N 3.34Å; V173-K175 HydrophobicContact CG1-CG 4.39Å; V173-K175 PolarHBondContact O-N 3.21Å; V173-V178 HydrophobicContact CG1-CG2 3.56Å
174M94.7Very high94.2Very high29 Ų2940.2 Ų40.214%0.14321%0.207CC..  trans-81.681.1172.6-57.7176.357.100109.4P167 A169 L172 D176 F177 L325 V329P167-M174 HydrophobicContact CB-CB 4.27Å; P167-M174 HydrophobicContact CB-SD 4.09Å; P167-M174 WeakPolarHBondContact O-CB 3.38Å; P167-M174 PolarHBondContact O-N 3.09Å; A169-M174 HydrophobicContact CB-CG 3.97Å; A169-M174 HydrophobicContact CB-SD 3.98Å; L172-M174 PolarHBondContact O-N 3.02Å; M174-D176 VanDerWaalsContact C-N 3.3Å; M174-D176 PolarHBondContact O-N 3.43Å; M174-D176 VanDerWaalsContact O-N 3.14Å; M174-F177 HydrophobicContact CB-CD2 3.74Å; M174-F177 HydrophobicContact CB-CE2 4.49Å; M174-F177 HydrophobicContact CE-CD2 3.66Å; M174-F177 HydrophobicContact CE-CE2 3.69Å; M174-F177 HydrophobicContact CE-CG 4.31Å; M174-F177 HydrophobicContact CE-CZ 4.41Å; M174-F177 PolarHBondContact O-N 3.48Å; M174-L325 HydrophobicContact CE-CD2 3.93Å; M174-V329 HydrophobicContact CE-CG1 4.29Å; M174-V329 HydrophobicContact CE-CG2 4.32Å; M174-V329 HydrophobicContact SD-CG1 4.22Å
175K93.6Very high94.2Very high147 Ų14739.2 Ų39.264%0.63920%0.203SC*.G310 helixtrans-50.6-41.7-167.8-65.6179.6-177.8176.80114.6F106 V173 F177 V178F106-K175 HydrophobicContact CE1-CB 4.24Å; F106-K175 HydrophobicContact CE1-CG 4.46Å; V173-K175 VanDerWaalsContact C-N 3.34Å; V173-K175 HydrophobicContact CG1-CG 4.39Å; V173-K175 PolarHBondContact O-N 3.21Å; K175-F177 PolarHBondContact O-N 3.05Å; K175-F177 VanDerWaalsContact O-N 3.12Å; K175-V178 PolarHBondContact O-N 2.83Å
176D94.5Very high94.1Very high131 Ų13142.7 Ų42.770%0.70122%0.218SC*.G310 helixtrans-68.3-11.7-177-56-37.7000114.1M174 R324M174-D176 VanDerWaalsContact C-N 3.3Å; M174-D176 PolarHBondContact O-N 3.43Å; M174-D176 VanDerWaalsContact O-N 3.14Å; D176-R324 PolarHBondContact O-NH2 2.87Å
177F96.3Very high94Very high41 Ų4143.9 Ų43.918%0.1822%0.224CC..G310 helixtrans-115.12-175.3-51.5-87.3000112.9P167 M174 K175 I179 L320 R324 L325 P326P167-F177 HydrophobicContact CB-CB 4.43Å; P167-F177 WeakPolarHBondContact CD-O 3.14Å; P167-F177 HydrophobicContact CG-CB 3.8Å; P167-F177 WeakPolarHBondContact CG-O 3.35Å; M174-F177 HydrophobicContact CB-CD2 3.74Å; M174-F177 HydrophobicContact CB-CE2 4.49Å; M174-F177 HydrophobicContact CE-CD2 3.66Å; M174-F177 HydrophobicContact CE-CE2 3.69Å; M174-F177 HydrophobicContact CE-CG 4.31Å; M174-F177 HydrophobicContact CE-CZ 4.41Å; M174-F177 PolarHBondContact O-N 3.48Å; K175-F177 PolarHBondContact O-N 3.05Å; K175-F177 VanDerWaalsContact O-N 3.12Å; F177-I179 PolarHBondContact O-N 2.74Å; F177-L320 HydrophobicContact CB-CD1 4.06Å; F177-L320 VanDerWaalsContact O-CD1 3.25Å; F177-L320 WeakPolarHBondContact O-CD1 3.25Å; F177-R324 HydrophobicContact CD1-CB 4.34Å; F177-R324 WeakPolarHBondContact CD1-O 3.37Å; F177-R324 WeakPolarHBondContact CE1-O 3.48Å; F177-L325 HydrophobicContact CB-CD2 3.93Å; F177-L325 HydrophobicContact CD1-CD2 3.87Å; F177-L325 HydrophobicContact CG-CD2 3.86Å; F177-P326 HydrophobicContact CE1-CG 4.4Å; F177-P326 HydrophobicContact CZ-CG 4.1Å
178V96.5Very high94.1Very high19 Ų1943.9 Ų43.912%0.11522%0.224CC..  trans-71.1130.4175.9-179.50000109.6F106 I165 V166 V173 K175F106-V178 HydrophobicContact CE2-CB 3.84Å; F106-V178 HydrophobicContact CE2-CG1 3.72Å; F106-V178 HydrophobicContact CE2-CG2 4.43Å; F106-V178 HydrophobicContact CZ-CB 3.73Å; F106-V178 HydrophobicContact CZ-CG1 4.1Å; F106-V178 HydrophobicContact CZ-CG2 3.95Å; I165-V178 WeakPolarHBondContact O-CA 3.43Å; V166-V178 HydrophobicContact CG1-CG2 4.25Å; V166-V178 HydrophobicContact CG2-CG1 4.24Å; V173-V178 HydrophobicContact CG1-CG2 3.56Å; K175-V178 PolarHBondContact O-N 2.83Å
179I96.7Very high94.3Very high17 Ų1744.1 Ų44.19%0.08723%0.225CC..EExtended strand (participates in β ladder)trans-110.7137.7173.9-60.7179000108.4H164 I165 F177 L181 M311 A316 Y319 L320H164-I179 CarbonylContact C-O 3.6Å; H164-I179 WeakPolarHBondContact CA-O 3.35Å; I165-I179 HydrophobicContact CB-CB 4.33Å; I165-I179 HydrophobicContact CD1-CB 4.34Å; I165-I179 HydrophobicContact CD1-CG2 4.38Å; I165-I179 PolarHBondContact N-O 2.85Å; I165-I179 PolarHBondContact O-N 3.05Å; F177-I179 PolarHBondContact O-N 2.74Å; I179-L181 HydrophobicContact CG2-CD2 4.12Å; I179-M311 HydrophobicContact CG2-SD 4.08Å; I179-A316 HydrophobicContact CG2-CB 4.41Å; I179-Y319 HydrophobicContact CD1-CD1 3.96Å; I179-Y319 HydrophobicContact CD1-CE1 4.42Å; I179-L320 HydrophobicContact CD1-CB 3.8Å; I179-L320 HydrophobicContact CD1-CD1 4.32Å
180R95.3Very high94.4Very high115 Ų11546.3 Ų46.343%0.43423%0.234SC..EExtended strand (participates in β ladder)trans-120.1125.2172.9-177.7-176.973-167.9-0.6109.5Y67 F162 H164Y67-R180 PolarHBondContact OH-NH1 3.01Å; Y67-R180 VanDerWaalsContact OH-NH1 3.07Å; F162-R180 HydrophobicContact CB-CG 4.06Å; F162-R180 HydrophobicContact CD1-CG 4.3Å; F162-R180 HydrophobicContact CG-CG 4.1Å; H164-R180 WeakPolarHBondContact NE2-CD 3.44Å; H164-R180 WeakPolarHBondContact NE2-CG 3.38Å
181L95.9Very high94.8Very high6 Ų647 Ų473%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-97.7142.2169.4-51.8179.9000109.4F162 T163 I179 V183 M311 L313 A316F162-L181 WeakPolarHBondContact CB-O 3.42Å; T163-L181 PolarHBondContact N-O 3.09Å; T163-L181 PolarHBondContact O-N 3.47Å; I179-L181 HydrophobicContact CG2-CD2 4.12Å; L181-V183 VanDerWaalsContact C-N 3.3Å; L181-M311 HydrophobicContact CD2-CG 3.8Å; L181-M311 HydrophobicContact CD2-SD 4Å; L181-L313 HydrophobicContact CD1-CB 4.1Å; L181-L313 HydrophobicContact CD1-CD1 4.15Å; L181-A316 HydrophobicContact CD1-CB 4.07Å; L181-A316 HydrophobicContact CD2-CB 4.08Å; L181-A316 HydrophobicContact CG-CB 4.5Å
182T94Very high95.3Very high54 Ų5446 Ų4633%0.33122%0.222SC..SBendtrans-69.5-31-178.9-54.10000111.5S161 G184 I187 Y308 E310S161-T182 VanDerWaalsContact O-O 3.08Å; T182-G184 PolarHBondContact O-N 2.99Å; T182-I187 HydrophobicContact CG2-CD1 4.11Å; T182-I187 WeakPolarHBondContact O-CD1 3.2Å; T182-Y308 HydrophobicContact CG2-CD1 4.45Å; T182-Y308 HydrophobicContact CG2-CE1 4.28Å; T182-E310 WeakPolarHBondContact CA-OE1 3.07Å; T182-E310 VanDerWaalsContact CB-OE1 3.23Å; T182-E310 WeakPolarHBondContact CB-OE1 3.29Å; T182-E310 WeakPolarHBondContact CB-OE2 3.26Å; T182-E310 VanDerWaalsContact N-CD 3.26Å; T182-E310 PolarHBondContact N-OE1 3.17Å; T182-E310 PolarHBondContact N-OE2 3.35Å; T182-E310 PolarHBondContact OG1-OE2 3.2Å
183V95.8Very high95.5Very high3 Ų340.8 Ų40.82%0.01819%0.194CC..  trans-67.4120.8-179.5-176.10000112.2F162 T163 L181 L188 L299 I300 P303 Y308 E310F162-V183 CarbonylContact C-O 3.26Å; T163-V183 PolarHBondContact N-O 3.43Å; T163-V183 VanDerWaalsContact N-O 3.15Å; T163-V183 PolarHBondContact OG1-O 3.03Å; L181-V183 VanDerWaalsContact C-N 3.3Å; V183-L188 HydrophobicContact CG1-CD2 3.92Å; V183-L299 HydrophobicContact CG1-CB 4.48Å; V183-I300 HydrophobicContact CG1-CG1 3.95Å; V183-P303 HydrophobicContact CG2-CB 3.68Å; V183-Y308 HydrophobicContact CG2-CD2 4.47Å; V183-E310 PolarHBondContact N-OE1 3.01Å
184G95.4Very high95.6Very high0 Ų045 Ų450%021%0.212CC..  trans-141-179170.200000111.1G159 Y160 T182 K186 I187 L188G159-G184 WeakPolarHBondContact O-CA 3.22Å; Y160-G184 CarbonylContact O-C 3.56Å; T182-G184 PolarHBondContact O-N 2.99Å; G184-K186 PolarHBondContact O-N 3.14Å; G184-I187 PolarHBondContact O-N 2.77Å; G184-L188 PolarHBondContact O-N 3.32Å
185G96Very high95.6Very high1 Ų143.9 Ų43.91%0.0121%0.207CC..Hα-helixtrans-55.9-31.3-172.300000114.8G159 Y160 L188 T189 K214 N343G159-G185 PolarHBondContact O-N 3.4Å; Y160-G185 PolarHBondContact O-N 3.4Å; G185-L188 WeakPolarHBondContact O-CB 3.39Å; G185-L188 PolarHBondContact O-N 2.75Å; G185-T189 PolarHBondContact O-N 2.74Å; G185-T189 PolarHBondContact O-OG1 2.91Å; G185-K214 PolarHBondContact O-NZ 3.44Å; G185-N343 WeakPolarHBondContact CA-OD1 3.14Å; G185-N343 PolarHBondContact N-ND2 3.41Å
186K95Very high95.6Very high72 Ų7236.9 Ų36.931%0.31318%0.177SC..Hα-helixtrans-62.6-43.8176-178.5173-177.91640112.8Y160 G184 L188 T189 N190Y160-K186 HydrophobicContact CD1-CB 4.36Å; Y160-K186 HydrophobicContact CD2-CB 4.43Å; Y160-K186 HydrophobicContact CE1-CB 3.91Å; Y160-K186 HydrophobicContact CE1-CD 3.89Å; Y160-K186 HydrophobicContact CE1-CG 4.29Å; Y160-K186 HydrophobicContact CE2-CB 3.99Å; Y160-K186 WeakPolarHBondContact O-CB 3.5Å; Y160-K186 PolarHBondContact O-N 2.91Å; G184-K186 PolarHBondContact O-N 3.14Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-T189 PolarHBondContact O-N 3.2Å; K186-N190 PolarHBondContact O-N 3.03Å
187I95.6Very high95.6Very high26 Ų2631.9 Ų31.913%0.13315%0.152CC..Hα-helixtrans-65.4-40178.6-73.1167.7000109.5T182 G184 N190 R191 Y308T182-I187 HydrophobicContact CG2-CD1 4.11Å; T182-I187 WeakPolarHBondContact O-CD1 3.2Å; G184-I187 PolarHBondContact O-N 2.77Å; I187-N190 PolarHBondContact O-N 2.83Å; I187-R191 WeakPolarHBondContact O-CB 3.42Å; I187-R191 PolarHBondContact O-N 2.93Å; I187-Y308 HydrophobicContact CD1-CE1 4.29Å; I187-Y308 HydrophobicContact CD1-CE2 4.38Å; I187-Y308 HydrophobicContact CG2-CE2 3.94Å
188L97.6Very high95.3Very high0 Ų039.7 Ų39.70%018%0.182CC..Hα-helixtrans-62.5-46.7176.3-55-170000112V183 G184 G185 K186 N190 R191 L192 K214 V296 L299 I300 F346V183-L188 HydrophobicContact CG1-CD2 3.92Å; G184-L188 PolarHBondContact O-N 3.32Å; G185-L188 WeakPolarHBondContact O-CB 3.39Å; G185-L188 PolarHBondContact O-N 2.75Å; K186-L188 VanDerWaalsContact C-N 3.29Å; L188-N190 VanDerWaalsContact C-N 3.33Å; L188-N190 PolarHBondContact O-N 3.37Å; L188-R191 PolarHBondContact O-N 2.84Å; L188-L192 PolarHBondContact O-N 3.19Å; L188-K214 HydrophobicContact CB-CD 3.99Å; L188-V296 HydrophobicContact CB-CG1 3.91Å; L188-V296 HydrophobicContact CD2-CG1 4.45Å; L188-V296 WeakPolarHBondContact CD2-O 3.39Å; L188-V296 VanDerWaalsContact O-CG1 3.23Å; L188-V296 WeakPolarHBondContact O-CG1 3.42Å; L188-L299 HydrophobicContact CD2-CB 3.91Å; L188-L299 HydrophobicContact CD2-CD1 4.4Å; L188-I300 HydrophobicContact CD1-CD1 3.86Å; L188-I300 HydrophobicContact CD1-CG1 4.09Å; L188-I300 HydrophobicContact CD2-CG1 4.33Å; L188-F346 HydrophobicContact CD1-CE2 3.79Å; L188-F346 HydrophobicContact CD1-CZ 4.35Å
189T96.4Very high94.8Very high5 Ų544.9 Ų44.93%0.03120%0.199CC..Hα-helixtrans-59.8-44.4176.7-57.50000111G185 K186 R191 L192 I193 N211 K214G185-T189 PolarHBondContact O-N 2.74Å; G185-T189 PolarHBondContact O-OG1 2.91Å; K186-T189 PolarHBondContact O-N 3.2Å; T189-R191 PolarHBondContact O-N 3.01Å; T189-L192 PolarHBondContact O-N 2.79Å; T189-I193 HydrophobicContact CG2-CD1 4.07Å; T189-I193 VanDerWaalsContact O-CG1 3.3Å; T189-I193 WeakPolarHBondContact O-CG1 3.43Å; T189-I193 PolarHBondContact O-N 2.85Å; T189-N211 HydrophobicContact CG2-CB 3.97Å; T189-N211 PolarHBondContact OG1-OD1 2.79Å; T189-K214 PolarHBondContact OG1-NZ 2.91Å
190N95.1Very high94Very high68 Ų6848.2 Ų48.236%0.36421%0.214SC..Hα-helixtrans-62.1-42.2175.9-73.1-3.4000112.3K186 I187 L188 L192 I193 E194K186-N190 PolarHBondContact O-N 3.03Å; I187-N190 PolarHBondContact O-N 2.83Å; L188-N190 VanDerWaalsContact C-N 3.33Å; L188-N190 PolarHBondContact O-N 3.37Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 2.96Å; N190-I193 WeakPolarHBondContact O-CB 3.31Å; N190-I193 PolarHBondContact O-N 3.3Å; N190-E194 WeakPolarHBondContact O-CG 3.2Å; N190-E194 PolarHBondContact O-N 2.73Å
191R95.9Very high93.6Very high79 Ų7946.2 Ų46.230%0.29821%0.212SC..Hα-helixtrans-63-41178-177.269.2-178.593.3-3.1112I187 L188 T189 E194 A195 V296 L299I187-R191 WeakPolarHBondContact O-CB 3.42Å; I187-R191 PolarHBondContact O-N 2.93Å; L188-R191 PolarHBondContact O-N 2.84Å; T189-R191 PolarHBondContact O-N 3.01Å; R191-E194 PolarHBondContact O-N 3.44Å; R191-A195 WeakPolarHBondContact O-CB 3.36Å; R191-A195 PolarHBondContact O-N 3.02Å; R191-V296 HydrophobicContact CB-CG1 4.33Å; R191-V296 HydrophobicContact CG-CG2 4.04Å; R191-L299 HydrophobicContact CB-CD1 3.89Å; R191-L299 HydrophobicContact CG-CD1 3.63Å
192L97.1Very high93.2Very high0 Ų050 Ų500%023%0.232CC..Hα-helixtrans-63.1-46.1175.8-177.363.5000110.7L188 T189 N190 E194 A195 V196 M210 K214 L289 E292 V296L188-L192 PolarHBondContact O-N 3.19Å; T189-L192 PolarHBondContact O-N 2.79Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 2.96Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 3Å; L192-A195 PolarHBondContact O-N 2.95Å; L192-V196 HydrophobicContact CD1-CG2 3.97Å; L192-V196 HydrophobicContact CG-CG2 4.29Å; L192-V196 WeakPolarHBondContact O-CB 3.36Å; L192-V196 VanDerWaalsContact O-CG2 3.31Å; L192-V196 WeakPolarHBondContact O-CG2 3.18Å; L192-V196 PolarHBondContact O-N 3.41Å; L192-M210 HydrophobicContact CD2-CE 3.75Å; L192-M210 HydrophobicContact CG-CE 3.72Å; L192-K214 HydrophobicContact CD2-CB 3.62Å; L192-K214 HydrophobicContact CD2-CG 4.33Å; L192-L289 HydrophobicContact CD1-CD2 4.07Å; L192-E292 HydrophobicContact CD1-CB 3.92Å; L192-V296 HydrophobicContact CB-CG1 4.33Å; L192-V296 HydrophobicContact CB-CG2 4.26Å; L192-V296 HydrophobicContact CD1-CG2 4.25Å
193I96.1Very high93Very high11 Ų1147.5 Ų47.56%0.05622%0.217CC..Hα-helixtrans-54.7-48.5175.2-72.6164.4000110.7T189 N190 V196 S197 R204 I207 M210T189-I193 HydrophobicContact CG2-CD1 4.07Å; T189-I193 VanDerWaalsContact O-CG1 3.3Å; T189-I193 WeakPolarHBondContact O-CG1 3.43Å; T189-I193 PolarHBondContact O-N 2.85Å; N190-I193 WeakPolarHBondContact O-CB 3.31Å; N190-I193 PolarHBondContact O-N 3.3Å; I193-V196 PolarHBondContact O-N 2.94Å; I193-S197 WeakPolarHBondContact O-CB 3.21Å; I193-S197 PolarHBondContact O-N 3.35Å; I193-S197 PolarHBondContact O-OG 3.35Å; I193-R204 HydrophobicContact CG2-CB 4.34Å; I193-R204 HydrophobicContact CG2-CG 4.01Å; I193-I207 HydrophobicContact CD1-CB 4.44Å; I193-I207 HydrophobicContact CD1-CG1 4.14Å; I193-M210 HydrophobicContact CD1-CB 4.09Å; I193-M210 HydrophobicContact CG1-CB 3.57Å; I193-M210 HydrophobicContact CG1-CG 3.76Å
194E95Very high92.7Very high121 Ų12155.1 Ų55.157%0.56525%0.245SC*.Hα-helixtrans-61.8-46.6178.8-72.8171.6-176.700112N190 R191 L192 V196 Y198N190-E194 WeakPolarHBondContact O-CG 3.2Å; N190-E194 PolarHBondContact O-N 2.73Å; R191-E194 PolarHBondContact O-N 3.44Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 3Å; E194-V196 PolarHBondContact O-N 3.34Å; E194-Y198 WeakPolarHBondContact O-CB 3.49Å; E194-Y198 PolarHBondContact O-N 3.21Å; E194-Y198 VanDerWaalsContact O-N 3.09Å
195A93.9Very high92.3Very high5 Ų557.8 Ų57.84%0.04126%0.264CS..Hα-helixtrans-62.3-44.3-179.800000112.1R191 L192 R199 E292R191-A195 WeakPolarHBondContact O-CB 3.36Å; R191-A195 PolarHBondContact O-N 3.02Å; L192-A195 PolarHBondContact O-N 2.95Å; A195-R199 WeakPolarHBondContact O-CG 3.37Å; A195-R199 PolarHBondContact O-N 3.21Å; A195-E292 HydrophobicContact CB-CG 3.79Å
196V94.3Very high91.9Very high0 Ų059 Ų590%027%0.27CS..Hα-helixtrans-70.8-44.4-179.9173.30000111.3L192 I193 E194 Y198 R199 H200 L201 V203 M210 L287 L289L192-V196 HydrophobicContact CD1-CG2 3.97Å; L192-V196 HydrophobicContact CG-CG2 4.29Å; L192-V196 WeakPolarHBondContact O-CB 3.36Å; L192-V196 VanDerWaalsContact O-CG2 3.31Å; L192-V196 WeakPolarHBondContact O-CG2 3.18Å; L192-V196 PolarHBondContact O-N 3.41Å; I193-V196 PolarHBondContact O-N 2.94Å; E194-V196 PolarHBondContact O-N 3.34Å; V196-Y198 PolarHBondContact O-N 3.27Å; V196-R199 PolarHBondContact O-N 3.39Å; V196-R199 VanDerWaalsContact O-N 3.14Å; V196-H200 HydrophobicContact CG1-CB 4.35Å; V196-H200 PolarHBondContact O-N 2.95Å; V196-L201 PolarHBondContact O-N 3.09Å; V196-V203 HydrophobicContact CB-CG2 3.94Å; V196-V203 HydrophobicContact CG1-CG1 4.34Å; V196-V203 HydrophobicContact CG1-CG2 3.64Å; V196-M210 HydrophobicContact CB-CE 4.31Å; V196-M210 HydrophobicContact CG1-CE 4.46Å; V196-M210 HydrophobicContact CG2-CE 3.95Å; V196-L287 HydrophobicContact CG1-CD1 3.85Å; V196-L287 HydrophobicContact CG1-CD2 3.69Å; V196-L287 HydrophobicContact CG1-CG 4.32Å; V196-L289 HydrophobicContact CG2-CD2 3.54Å
197S93.6Very high91.6Very high27 Ų2758.8 Ų58.819%0.18927%0.271CS..Hα-helixtrans-63.6-32.2-179.2-56.60000112.8I193 L201 V203I193-S197 WeakPolarHBondContact O-CB 3.21Å; I193-S197 PolarHBondContact O-N 3.35Å; I193-S197 PolarHBondContact O-OG 3.35Å; S197-L201 VanDerWaalsContact CA-O 3.25Å; S197-L201 WeakPolarHBondContact CA-O 3.45Å; S197-V203 WeakPolarHBondContact OG-CG2 2.89Å; S197-V203 PolarHBondContact OG-N 2.88Å; S197-V203 VanDerWaalsContact OG-N 3.14Å
198Y89.8Confident91.4Very high204 Ų20459.6 Ų59.680%0.827%0.273SS*.Hα-helixtrans-74.1-31.7176.4-174.4-97.9000113.3E194 V196E194-Y198 WeakPolarHBondContact O-CB 3.49Å; E194-Y198 PolarHBondContact O-N 3.21Å; E194-Y198 VanDerWaalsContact O-N 3.09Å; V196-Y198 PolarHBondContact O-N 3.27Å
199R85.9Confident91.1Very high128 Ų12859.9 Ų59.948%0.48327%0.274SS..Hα-helixtrans-105-31.9-169.3-69.1-176.2177.5122.76.7115.2A195 V196 E292A195-R199 WeakPolarHBondContact O-CG 3.37Å; A195-R199 PolarHBondContact O-N 3.21Å; V196-R199 PolarHBondContact O-N 3.39Å; V196-R199 VanDerWaalsContact O-N 3.14Å; R199-E292 WeakPolarHBondContact CD-OE1 3.39Å; R199-E292 IonicContact CZ-OE1 2.91Å; R199-E292 IonicContact NE-OE1 2.87Å; R199-E292 IonicContact NH1-OE1 3.71Å; R199-E292 PolarHBondContact NH1-OE1 3.45Å
200H80.3Confident90.9Very high87 Ų8759.7 Ų59.740%0.40327%0.273SS..THydrogen-bonded Turntrans-125.6-73-165.3-60.499000112.2V196 L287 R288V196-H200 HydrophobicContact CG1-CB 4.35Å; V196-H200 PolarHBondContact O-N 2.95Å; H200-L287 HydrophobicContact CB-CD2 4.39Å; H200-R288 PolarHBondContact CE1-O 2.94Å; H200-R288 PolarHBondContact NE2-O 3.22Å; H200-R288 VanDerWaalsContact NE2-O 3.11Å
201L86Confident90.9Very high73 Ų7358.1 Ų58.138%0.38227%0.265SS..  trans-145.5135.4-171177.267.9000108.1V196 S197 V203 L246 L287V196-L201 PolarHBondContact O-N 3.09Å; S197-L201 VanDerWaalsContact CA-O 3.25Å; S197-L201 WeakPolarHBondContact CA-O 3.45Å; L201-V203 HydrophobicContact CB-CG1 4.37Å; L201-V203 HydrophobicContact CD2-CG1 4.14Å; L201-V203 HydrophobicContact CG-CG1 4.19Å; L201-V203 PolarHBondContact O-N 3.41Å; L201-L246 HydrophobicContact CD2-CD1 3.76Å; L201-L287 HydrophobicContact CB-CD2 4.03Å; L201-L287 HydrophobicContact CD2-CD2 4.38Å
202D88.4Confident90.8Very high86 Ų8655.5 Ų55.546%0.4626%0.256SS..  trans-64.3105.3174.2-1734.8000109.9R204D202-R204 WeakPolarHBondContact OD1-CB 3.23Å; D202-R204 WeakPolarHBondContact OD1-CG 3.37Å; D202-R204 IonicContact OD1-CZ 3.01Å; D202-R204 PolarHBondContact OD1-N 3.26Å; D202-R204 VanDerWaalsContact OD1-N 3.16Å; D202-R204 IonicContact OD1-NE 2.8Å; D202-R204 PolarHBondContact OD1-NE 3.14Å; D202-R204 IonicContact OD1-NH2 3.49Å; D202-R204 IonicContact OD2-CZ 2.74Å; D202-R204 IonicContact OD2-NE 3.69Å; D202-R204 PolarHBondContact OD2-NE 3.48Å; D202-R204 IonicContact OD2-NH2 3.82Å; D202-R204 PolarHBondContact OD2-NH2 3.25Å
203V89.7Confident90.8Very high2 Ų255.5 Ų55.51%0.01226%0.256CS..  trans-114.118.6-178.8-67.90000111.3V196 S197 L201 S205 E206 M210 L287V196-V203 HydrophobicContact CB-CG2 3.94Å; V196-V203 HydrophobicContact CG1-CG1 4.34Å; V196-V203 HydrophobicContact CG1-CG2 3.64Å; S197-V203 WeakPolarHBondContact OG-CG2 2.89Å; S197-V203 PolarHBondContact OG-N 2.88Å; S197-V203 VanDerWaalsContact OG-N 3.14Å; L201-V203 HydrophobicContact CB-CG1 4.37Å; L201-V203 HydrophobicContact CD2-CG1 4.14Å; L201-V203 HydrophobicContact CG-CG1 4.19Å; L201-V203 PolarHBondContact O-N 3.41Å; V203-S205 PolarHBondContact O-N 3.08Å; V203-E206 HydrophobicContact CB-CB 4.23Å; V203-E206 HydrophobicContact CB-CG 4.48Å; V203-E206 PolarHBondContact O-N 3.21Å; V203-M210 HydrophobicContact CB-CG 3.98Å; V203-M210 HydrophobicContact CB-SD 4.02Å; V203-M210 HydrophobicContact CG1-SD 4.23Å; V203-M210 HydrophobicContact CG2-CE 4.32Å; V203-M210 HydrophobicContact CG2-CG 3.92Å; V203-M210 HydrophobicContact CG2-SD 3.86Å; V203-L287 HydrophobicContact CG1-CD2 4.44Å
204R89.1Confident90.8Very high162 Ų16255.2 Ų55.261%0.61125%0.254SS*.THydrogen-bonded Turntrans-63.2-26.1-177.8-67.8176.7-53.5105.88.9113.9I193 D202 E206I193-R204 HydrophobicContact CG2-CB 4.34Å; I193-R204 HydrophobicContact CG2-CG 4.01Å; D202-R204 WeakPolarHBondContact OD1-CB 3.23Å; D202-R204 WeakPolarHBondContact OD1-CG 3.37Å; D202-R204 IonicContact OD1-CZ 3.01Å; D202-R204 PolarHBondContact OD1-N 3.26Å; D202-R204 VanDerWaalsContact OD1-N 3.16Å; D202-R204 IonicContact OD1-NE 2.8Å; D202-R204 PolarHBondContact OD1-NE 3.14Å; D202-R204 IonicContact OD1-NH2 3.49Å; D202-R204 IonicContact OD2-CZ 2.74Å; D202-R204 IonicContact OD2-NE 3.69Å; D202-R204 PolarHBondContact OD2-NE 3.48Å; D202-R204 IonicContact OD2-NH2 3.82Å; D202-R204 PolarHBondContact OD2-NH2 3.25Å; R204-E206 VanDerWaalsContact C-N 3.33Å
205S86.4Confident90.9Very high56 Ų5654.9 Ų54.939%0.39225%0.252SS..THydrogen-bonded Turntrans-82.6-11.7173.552.10000113.5V203 I207V203-S205 PolarHBondContact O-N 3.08Å; S205-I207 PolarHBondContact O-N 3.12Å
206E88.6Confident91.1Very high28 Ų2857.3 Ų57.313%0.13127%0.265CS..  trans-101.545-166.8-54.5-47.6129.800112S56 V203 R204 Y208 I209 M210S56-E206 PolarHBondContact N-OE1 3.37Å; S56-E206 VanDerWaalsContact N-OE1 3.14Å; V203-E206 HydrophobicContact CB-CB 4.23Å; V203-E206 HydrophobicContact CB-CG 4.48Å; V203-E206 PolarHBondContact O-N 3.21Å; R204-E206 VanDerWaalsContact C-N 3.33Å; E206-Y208 VanDerWaalsContact C-N 3.31Å; E206-Y208 PolarHBondContact O-N 3.33Å; E206-I209 HydrophobicContact CB-CB 4.39Å; E206-I209 HydrophobicContact CB-CD1 4.18Å; E206-I209 HydrophobicContact CG-CD1 4.46Å; E206-I209 PolarHBondContact O-N 3.44Å; E206-I209 VanDerWaalsContact OE2-CD1 3.3Å; E206-I209 WeakPolarHBondContact OE2-CD1 3.28Å; E206-M210 HydrophobicContact CB-CG 4.45Å; E206-M210 WeakPolarHBondContact O-CB 3.11Å; E206-M210 VanDerWaalsContact O-CG 3.28Å; E206-M210 WeakPolarHBondContact O-CG 3.49Å; E206-M210 PolarHBondContact O-N 3.46Å
207I89.7Confident91.2Very high67 Ų6757.4 Ų57.434%0.34427%0.265SS..Hα-helixtrans-58-43.4-172.1-59.2171.8000112I193 S205 M210 N211I193-I207 HydrophobicContact CD1-CB 4.44Å; I193-I207 HydrophobicContact CD1-CG1 4.14Å; S205-I207 PolarHBondContact O-N 3.12Å; I207-M210 PolarHBondContact O-N 3.01Å; I207-N211 PolarHBondContact O-N 3.47Å
208Y89.4Confident91.4Very high43 Ų4356.2 Ų56.217%0.16926%0.257CS..Hα-helixtrans-64-49-178.7-178.3-99.8000111.5F33 I48 L54 E206 M210 N211 Q212F33-Y208 HydrophobicContact CE1-CD2 4.16Å; F33-Y208 HydrophobicContact CE2-CD2 4.17Å; F33-Y208 HydrophobicContact CE2-CE2 4.4Å; F33-Y208 AromaticContact CZ-CD2 3.57Å; F33-Y208 HydrophobicContact CZ-CD2 3.57Å; F33-Y208 HydrophobicContact CZ-CE2 4.21Å; F33-Y208 HydrophobicContact CZ-CG 4.34Å; I48-Y208 HydrophobicContact CG2-CE2 4.43Å; L54-Y208 HydrophobicContact CD1-CD1 4.16Å; L54-Y208 HydrophobicContact CD1-CE1 4.01Å; E206-Y208 VanDerWaalsContact C-N 3.31Å; E206-Y208 PolarHBondContact O-N 3.33Å; Y208-M210 VanDerWaalsContact C-N 3.33Å; Y208-M210 PolarHBondContact O-N 2.9Å; Y208-N211 PolarHBondContact O-N 3.38Å; Y208-Q212 PolarHBondContact O-N 3.38Å; Y208-Q212 PolarHBondContact OH-NE2 3.25Å
209I91.4Very high91.8Very high6 Ų648.3 Ų48.33%0.03123%0.226CC..Hα-helixtrans-64.2-41179.7-56169.1000110.4E206 N211 Q212 C213 L246 P247 Y249E206-I209 HydrophobicContact CB-CB 4.39Å; E206-I209 HydrophobicContact CB-CD1 4.18Å; E206-I209 HydrophobicContact CG-CD1 4.46Å; E206-I209 PolarHBondContact O-N 3.44Å; E206-I209 VanDerWaalsContact OE2-CD1 3.3Å; E206-I209 WeakPolarHBondContact OE2-CD1 3.28Å; I209-N211 VanDerWaalsContact C-N 3.3Å; I209-N211 PolarHBondContact O-N 3.17Å; I209-Q212 WeakPolarHBondContact O-CB 3.39Å; I209-Q212 PolarHBondContact O-N 3.03Å; I209-C213 WeakPolarHBondContact O-CB 3.21Å; I209-C213 PolarHBondContact O-N 3.04Å; I209-L246 HydrophobicContact CG2-CD2 3.69Å; I209-P247 HydrophobicContact CD1-CG 3.79Å; I209-P247 HydrophobicContact CG1-CG 4.17Å; I209-P247 HydrophobicContact CG2-CG 4.22Å; I209-Y249 WeakPolarHBondContact CD1-OH 3.31Å
210M93.9Very high92.4Very high0 Ų042.3 Ų42.30%020%0.204CC..Hα-helixtrans-70.3-26.7179.5-68-51.4-55.200112.8L192 I193 V196 V203 E206 I207 Y208 C213 K214 L287L192-M210 HydrophobicContact CD2-CE 3.75Å; L192-M210 HydrophobicContact CG-CE 3.72Å; I193-M210 HydrophobicContact CD1-CB 4.09Å; I193-M210 HydrophobicContact CG1-CB 3.57Å; I193-M210 HydrophobicContact CG1-CG 3.76Å; V196-M210 HydrophobicContact CB-CE 4.31Å; V196-M210 HydrophobicContact CG1-CE 4.46Å; V196-M210 HydrophobicContact CG2-CE 3.95Å; V203-M210 HydrophobicContact CB-CG 3.98Å; V203-M210 HydrophobicContact CB-SD 4.02Å; V203-M210 HydrophobicContact CG1-SD 4.23Å; V203-M210 HydrophobicContact CG2-CE 4.32Å; V203-M210 HydrophobicContact CG2-CG 3.92Å; V203-M210 HydrophobicContact CG2-SD 3.86Å; E206-M210 HydrophobicContact CB-CG 4.45Å; E206-M210 WeakPolarHBondContact O-CB 3.11Å; E206-M210 VanDerWaalsContact O-CG 3.28Å; E206-M210 WeakPolarHBondContact O-CG 3.49Å; E206-M210 PolarHBondContact O-N 3.46Å; I207-M210 PolarHBondContact O-N 3.01Å; Y208-M210 VanDerWaalsContact C-N 3.33Å; Y208-M210 PolarHBondContact O-N 2.9Å; M210-C213 HydrophobicContact CE-CB 4.26Å; M210-C213 HydrophobicContact SD-CB 4.41Å; M210-K214 WeakPolarHBondContact O-CB 3.4Å; M210-K214 PolarHBondContact O-N 3.5Å; M210-L287 HydrophobicContact CE-CD1 4.05Å; M210-L287 HydrophobicContact SD-CD1 3.72Å
211N94.5Very high93.2Very high36 Ų3638.2 Ų38.219%0.19319%0.185CC..Hα-helixtrans-67.3-45169.3-171.770000111.7T189 I207 Y208 I209 C213 K214 E215T189-N211 HydrophobicContact CG2-CB 3.97Å; T189-N211 PolarHBondContact OG1-OD1 2.79Å; I207-N211 PolarHBondContact O-N 3.47Å; Y208-N211 PolarHBondContact O-N 3.38Å; I209-N211 VanDerWaalsContact C-N 3.3Å; I209-N211 PolarHBondContact O-N 3.17Å; N211-C213 VanDerWaalsContact C-N 3.35Å; N211-K214 WeakPolarHBondContact O-CB 3.3Å; N211-K214 PolarHBondContact O-N 3.01Å; N211-K214 WeakPolarHBondContact OD1-CE 3.44Å; N211-K214 PolarHBondContact OD1-NZ 3.16Å; N211-K214 VanDerWaalsContact OD1-NZ 3.09Å; N211-E215 PolarHBondContact ND2-OE1 2.99Å; N211-E215 WeakPolarHBondContact O-CG 3.25Å; N211-E215 PolarHBondContact O-N 3.27Å
212Q94Very high93.7Very high23 Ų2339.1 Ų39.111%0.10719%0.193CC..Hα-helixtrans-61.2-45.6174.9-65.8-179.7-34.100111.2Y208 I209 K214 E215 D216Y208-Q212 PolarHBondContact O-N 3.38Å; Y208-Q212 PolarHBondContact OH-NE2 3.25Å; I209-Q212 WeakPolarHBondContact O-CB 3.39Å; I209-Q212 PolarHBondContact O-N 3.03Å; Q212-K214 VanDerWaalsContact C-N 3.33Å; Q212-K214 PolarHBondContact O-N 3.45Å; Q212-E215 PolarHBondContact O-N 3.42Å; Q212-E215 VanDerWaalsContact O-N 3.16Å; Q212-D216 WeakPolarHBondContact O-CB 3.44Å; Q212-D216 PolarHBondContact O-N 3.03Å
213C95.8Very high94Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-55.2-48.9175.9-176.50000111.4I209 M210 N211 E215 D216 V217 Y244 L289I209-C213 WeakPolarHBondContact O-CB 3.21Å; I209-C213 PolarHBondContact O-N 3.04Å; M210-C213 HydrophobicContact CE-CB 4.26Å; M210-C213 HydrophobicContact SD-CB 4.41Å; N211-C213 VanDerWaalsContact C-N 3.35Å; C213-E215 PolarHBondContact O-N 3.23Å; C213-D216 PolarHBondContact O-N 3.27Å; C213-V217 WeakPolarHBondContact O-CG2 3.01Å; C213-V217 PolarHBondContact O-N 2.94Å; C213-Y244 HydrophobicContact CB-CD1 4.04Å; C213-Y244 HydrophobicContact CB-CE1 3.7Å; C213-Y244 HydrophobicContact CB-CE2 4.34Å; C213-Y244 HydrophobicContact CB-CG 4.47Å; C213-Y244 VanDerWaalsContact SG-CD1 3.59Å; C213-L289 WeakPolarHBondContact SG-CD1 3.48Å
214K97.6Very high94.4Very high6 Ų640.7 Ų40.73%0.02620%0.2CC..Hα-helixtrans-55.2-50.2175.2-179.4-157.864.5173.30111.4G185 L188 T189 L192 M210 N211 Q212 D216 V217 C218 F346G185-K214 PolarHBondContact O-NZ 3.44Å; L188-K214 HydrophobicContact CB-CD 3.99Å; T189-K214 PolarHBondContact OG1-NZ 2.91Å; L192-K214 HydrophobicContact CD2-CB 3.62Å; L192-K214 HydrophobicContact CD2-CG 4.33Å; M210-K214 WeakPolarHBondContact O-CB 3.4Å; M210-K214 PolarHBondContact O-N 3.5Å; N211-K214 WeakPolarHBondContact O-CB 3.3Å; N211-K214 PolarHBondContact O-N 3.01Å; N211-K214 WeakPolarHBondContact OD1-CE 3.44Å; N211-K214 PolarHBondContact OD1-NZ 3.16Å; N211-K214 VanDerWaalsContact OD1-NZ 3.09Å; Q212-K214 VanDerWaalsContact C-N 3.33Å; Q212-K214 PolarHBondContact O-N 3.45Å; K214-D216 VanDerWaalsContact C-N 3.28Å; K214-D216 PolarHBondContact O-N 3.15Å; K214-V217 PolarHBondContact O-N 2.91Å; K214-C218 HydrophobicContact CG-CB 4.27Å; K214-C218 WeakPolarHBondContact O-CB 3.29Å; K214-C218 PolarHBondContact O-N 3.17Å; K214-F346 HydrophobicContact CD-CZ 3.99Å; K214-F346 HydrophobicContact CG-CE1 4.26Å; K214-F346 HydrophobicContact CG-CZ 3.96Å
215E96.8Very high94.7Very high113 Ų11341.5 Ų41.553%0.52820%0.203SC..Hα-helixtrans-63.4-34.2-179.5-71170.4-166.500112.6N211 Q212 C213N211-E215 PolarHBondContact ND2-OE1 2.99Å; N211-E215 WeakPolarHBondContact O-CG 3.25Å; N211-E215 PolarHBondContact O-N 3.27Å; Q212-E215 PolarHBondContact O-N 3.42Å; Q212-E215 VanDerWaalsContact O-N 3.16Å; C213-E215 PolarHBondContact O-N 3.23Å
216D96.8Very high95.2Very high56 Ų5643 Ų4330%0.29920%0.204SC..Hα-helixtrans-77.5-34.3-179.6-68-20.7000113.4Q212 C213 K214 Y244 R254 V257Q212-D216 WeakPolarHBondContact O-CB 3.44Å; Q212-D216 PolarHBondContact O-N 3.03Å; C213-D216 PolarHBondContact O-N 3.27Å; K214-D216 VanDerWaalsContact C-N 3.28Å; K214-D216 PolarHBondContact O-N 3.15Å; D216-Y244 HydrophobicContact CB-CE2 3.78Å; D216-Y244 VanDerWaalsContact OD2-CE2 3.29Å; D216-Y244 WeakPolarHBondContact OD2-CE2 3.26Å; D216-Y244 PolarHBondContact OD2-OH 3.13Å; D216-R254 IonicContact OD1-CZ 2.77Å; D216-R254 IonicContact OD1-NH1 3.33Å; D216-R254 PolarHBondContact OD1-NH1 3.28Å; D216-R254 IonicContact OD1-NH2 3.29Å; D216-R254 PolarHBondContact OD1-NH2 3.43Å; D216-R254 IonicContact OD2-CZ 2.7Å; D216-R254 IonicContact OD2-NH1 2.75Å; D216-R254 PolarHBondContact OD2-NH1 3.39Å; D216-R254 IonicContact OD2-NH2 2.91Å; D216-R254 PolarHBondContact OD2-NH2 2.85Å; D216-V257 HydrophobicContact CB-CG2 4.09Å
217V96.8Very high95.7Very high2 Ų242.9 Ų42.91%0.01220%0.204CC..Hα-helixtrans-113.6-27.7-167.4-58.40000114.9C213 K214 Y244 V257 L289 R293C213-V217 WeakPolarHBondContact O-CG2 3.01Å; C213-V217 PolarHBondContact O-N 2.94Å; K214-V217 PolarHBondContact O-N 2.91Å; V217-Y244 HydrophobicContact CG1-CD2 3.62Å; V217-Y244 HydrophobicContact CG1-CE2 4.26Å; V217-Y244 HydrophobicContact CG1-CG 4.42Å; V217-V257 HydrophobicContact CG1-CG2 3.67Å; V217-L289 HydrophobicContact CB-CD1 4.21Å; V217-L289 HydrophobicContact CG1-CD1 4.14Å; V217-L289 HydrophobicContact CG2-CD1 3.5Å; V217-L289 VanDerWaalsContact CG2-CD1 3.5Å; V217-R293 HydrophobicContact CB-CG 4.43Å; V217-R293 HydrophobicContact CG2-CG 4.4Å; V217-R293 VanDerWaalsContact O-CZ 3.3Å; V217-R293 PolarHBondContact O-NE 3.21Å; V217-R293 PolarHBondContact O-NH2 3.06Å
218C98.1Very high96Very high3 Ų341.3 Ų41.32%0.0220%0.196CC..  trans-82.3152.6-172.9-69.30000111.5K214 R293 P297 F346K214-C218 HydrophobicContact CG-CB 4.27Å; K214-C218 WeakPolarHBondContact O-CB 3.29Å; K214-C218 PolarHBondContact O-N 3.17Å; C218-R293 CarbonylContact C-O 3.56Å; C218-R293 WeakPolarHBondContact CA-O 3.22Å; C218-R293 VanDerWaalsContact CB-O 3.31Å; C218-R293 WeakPolarHBondContact CB-O 3.3Å; C218-P297 HydrophobicContact CB-CG 3.69Å; C218-F346 HydrophobicContact CB-CD1 4.14Å; C218-F346 HydrophobicContact CB-CE1 3.64Å; C218-F346 HydrophobicContact CB-CZ 4.3Å; C218-F346 WeakPolarHBondContact O-CD1 3.42Å
219Y98.1Very high96.4Very high38 Ų3845.8 Ų45.815%0.14922%0.216CC..  trans-153159.8178.567.4-85.3000109.5D227 R293 F294 P297 P347Y219-D227 VanDerWaalsContact CE2-OD2 3.3Å; Y219-D227 WeakPolarHBondContact CE2-OD2 2.96Å; Y219-D227 PolarHBondContact OH-OD2 3.05Å; Y219-R293 HydrophobicContact CD1-CB 4.13Å; Y219-R293 HydrophobicContact CE1-CB 3.84Å; Y219-R293 PolarHBondContact N-O 3.2Å; Y219-F294 HydrophobicContact CD2-CB 4.46Å; Y219-F294 HydrophobicContact CE1-CB 4.24Å; Y219-F294 HydrophobicContact CE2-CB 3.94Å; Y219-F294 WeakPolarHBondContact O-CA 3.38Å; Y219-F294 WeakPolarHBondContact OH-CD1 3.34Å; Y219-P297 WeakPolarHBondContact O-CG 3.42Å; Y219-P347 WeakPolarHBondContact CB-O 3.34Å
220V98.1Very high96.6Very high2 Ų247.2 Ų47.21%0.01222%0.224CC..  trans-90.4125.3173.7174.60000108.6P297 F301 F346 P347 F349 R352V220-P297 HydrophobicContact CG2-CB 3.88Å; V220-F301 HydrophobicContact CB-CE2 4.45Å; V220-F301 HydrophobicContact CG1-CD2 4.41Å; V220-F301 HydrophobicContact CG1-CE2 3.52Å; V220-F301 HydrophobicContact CG1-CZ 3.93Å; V220-F301 HydrophobicContact CG2-CE2 4.01Å; V220-F346 HydrophobicContact CG2-CB 4.03Å; V220-P347 PolarHBondContact N-O 3.06Å; V220-F349 HydrophobicContact CG2-CB 4.11Å; V220-F349 HydrophobicContact CG2-CD2 3.81Å; V220-F349 HydrophobicContact CG2-CG 4.41Å; V220-R352 HydrophobicContact CG1-CB 3.53Å; V220-R352 HydrophobicContact CG1-CG 3.62Å
221S97.5Very high96.7Very high1 Ų147.7 Ų47.71%0.00723%0.227CC..  trans-78.9135.8178.2-172.30000111D223 F224 D227S221-D223 PolarHBondContact OG-N 2.84Å; S221-D223 PolarHBondContact OG-O 2.86Å; S221-F224 PolarHBondContact OG-N 3.27Å; S221-D227 VanDerWaalsContact CB-OD2 3.25Å; S221-D227 WeakPolarHBondContact CB-OD2 3.41Å; S221-D227 PolarHBondContact OG-OD2 2.78Å
222T96Very high96.7Very high91 Ų9155 Ų5556%0.55825%0.252SS*.SBendtrans-83-27.4171.252.70000112E351T222-E351 HydrophobicContact CG2-CB 3.96Å
223D96.4Very high96.7Very high83 Ų8355.7 Ų55.744%0.44426%0.259SS..SBendtrans-132.388.6172.1-174.4-16.9000110.2S221 W225 Q226 D227S221-D223 PolarHBondContact OG-N 2.84Å; S221-D223 PolarHBondContact OG-O 2.86Å; D223-W225 VanDerWaalsContact C-N 3.28Å; D223-W225 PolarHBondContact O-N 2.87Å; D223-W225 PolarHBondContact OD1-N 3.49Å; D223-Q226 HydrophobicContact CB-CB 3.98Å; D223-Q226 PolarHBondContact O-N 2.99Å; D223-Q226 PolarHBondContact OD1-N 3.19Å; D223-Q226 WeakPolarHBondContact OD2-CB 3.35Å; D223-D227 PolarHBondContact O-N 3.34Å
224F96.3Very high96.3Very high38 Ų3862 Ų6217%0.16729%0.293CS..Hα-helixtrans-55.2-40.7-177.3-179.2-90.9000113.2S221 M228 F294 T295 E298S221-F224 PolarHBondContact OG-N 3.27Å; F224-M228 WeakPolarHBondContact O-CB 3.44Å; F224-M228 PolarHBondContact O-N 3.12Å; F224-F294 AromaticContact CD2-CD2 3.85Å; F224-F294 HydrophobicContact CD2-CD2 3.85Å; F224-F294 AromaticContact CD2-CE2 3.98Å; F224-F294 HydrophobicContact CD2-CE2 3.98Å; F224-F294 AromaticContact CE2-CD2 3.89Å; F224-F294 HydrophobicContact CE2-CD2 3.89Å; F224-F294 AromaticContact CE2-CE2 3.83Å; F224-F294 HydrophobicContact CE2-CE2 3.83Å; F224-F294 HydrophobicContact CZ-CE2 4.34Å; F224-T295 HydrophobicContact CE2-CG2 3.87Å; F224-T295 HydrophobicContact CZ-CG2 4.02Å; F224-E298 HydrophobicContact CD2-CB 4.33Å; F224-E298 HydrophobicContact CD2-CG 3.8Å; F224-E298 HydrophobicContact CE2-CB 4.12Å; F224-E298 HydrophobicContact CE2-CG 3.8Å
225W97.1Very high95.6Very high180 Ų18067.1 Ų67.168%0.68232%0.317SS*.Hα-helixtrans-75.1-35.8-175.3-66.6112.4000111.8D223 M228 K229D223-W225 VanDerWaalsContact C-N 3.28Å; D223-W225 PolarHBondContact O-N 2.87Å; D223-W225 PolarHBondContact OD1-N 3.49Å; W225-M228 PolarHBondContact O-N 3.29Å; W225-K229 WeakPolarHBondContact O-CG 3.09Å; W225-K229 PolarHBondContact O-N 2.98Å
226Q97Very high94.9Very high86 Ų8672 Ų7240%0.40234%0.337SS..Hα-helixtrans-65.8-44.9173.1-178.158.219.200111.3D223 M228 K229 I230D223-Q226 HydrophobicContact CB-CB 3.98Å; D223-Q226 PolarHBondContact O-N 2.99Å; D223-Q226 PolarHBondContact OD1-N 3.19Å; D223-Q226 WeakPolarHBondContact OD2-CB 3.35Å; Q226-M228 VanDerWaalsContact C-N 3.28Å; Q226-M228 PolarHBondContact O-N 2.91Å; Q226-K229 WeakPolarHBondContact O-CB 3.27Å; Q226-K229 PolarHBondContact O-N 3.32Å; Q226-K229 VanDerWaalsContact O-N 3.09Å; Q226-I230 HydrophobicContact CG-CD1 4.21Å; Q226-I230 WeakPolarHBondContact O-CG1 3.46Å; Q226-I230 PolarHBondContact O-N 2.8Å
227D97.5Very high94.4Very high27 Ų2772.7 Ų72.714%0.14435%0.345CS..Hα-helixtrans-61.9-38.7175.1-82.61.8000111.6Y219 S221 D223 K229 I230 S231 I240 F294Y219-D227 VanDerWaalsContact CE2-OD2 3.3Å; Y219-D227 WeakPolarHBondContact CE2-OD2 2.96Å; Y219-D227 PolarHBondContact OH-OD2 3.05Å; S221-D227 VanDerWaalsContact CB-OD2 3.25Å; S221-D227 WeakPolarHBondContact CB-OD2 3.41Å; S221-D227 PolarHBondContact OG-OD2 2.78Å; D223-D227 PolarHBondContact O-N 3.34Å; D227-K229 VanDerWaalsContact C-N 3.32Å; D227-K229 PolarHBondContact O-N 3.28Å; D227-I230 PolarHBondContact O-N 3.49Å; D227-S231 WeakPolarHBondContact O-CB 3.44Å; D227-S231 PolarHBondContact O-N 3Å; D227-I240 HydrophobicContact CB-CD1 3.72Å; D227-I240 WeakPolarHBondContact O-CD1 3.44Å; D227-F294 HydrophobicContact CB-CD1 4.12Å; D227-F294 HydrophobicContact CB-CD2 4.2Å; D227-F294 HydrophobicContact CB-CE1 3.93Å; D227-F294 HydrophobicContact CB-CE2 4.02Å; D227-F294 HydrophobicContact CB-CG 4.27Å; D227-F294 HydrophobicContact CB-CZ 3.9Å
228M97.2Very high94.2Very high33 Ų3373.2 Ų73.216%0.16335%0.348CS..Hα-helixtrans-62-38.4173.8-163.463.7173.400112.3F224 W225 Q226 S231 R232 N291 F294F224-M228 WeakPolarHBondContact O-CB 3.44Å; F224-M228 PolarHBondContact O-N 3.12Å; W225-M228 PolarHBondContact O-N 3.29Å; Q226-M228 VanDerWaalsContact C-N 3.28Å; Q226-M228 PolarHBondContact O-N 2.91Å; M228-S231 PolarHBondContact O-OG 3.14Å; M228-R232 WeakPolarHBondContact O-CG 3.21Å; M228-R232 PolarHBondContact O-N 2.68Å; M228-N291 HydrophobicContact SD-CB 4.22Å; M228-F294 HydrophobicContact CB-CZ 4.38Å; M228-F294 HydrophobicContact SD-CE2 4.41Å; M228-F294 HydrophobicContact SD-CZ 4.06Å
229K97Very high93.9Very high138 Ų13876.5 Ų76.560%0.637%0.371SS*.Hα-helixtrans-65.7-45.3173.9-70.9170.1-173.7170.30111.9W225 Q226 D227 S231 R232 S233W225-K229 WeakPolarHBondContact O-CG 3.09Å; W225-K229 PolarHBondContact O-N 2.98Å; Q226-K229 WeakPolarHBondContact O-CB 3.27Å; Q226-K229 PolarHBondContact O-N 3.32Å; Q226-K229 VanDerWaalsContact O-N 3.09Å; D227-K229 VanDerWaalsContact C-N 3.32Å; D227-K229 PolarHBondContact O-N 3.28Å; K229-S231 VanDerWaalsContact C-N 3.31Å; K229-S231 PolarHBondContact O-N 2.97Å; K229-R232 PolarHBondContact O-N 3.32Å; K229-S233 PolarHBondContact O-N 3.32Å
230I96.3Very high93.8Very high36 Ų3675 Ų7519%0.18537%0.366CS..Hα-helixtrans-61.6-42.3178.2-65.3166.8000110.4Q226 D227 R232 S233 I240Q226-I230 HydrophobicContact CG-CD1 4.21Å; Q226-I230 WeakPolarHBondContact O-CG1 3.46Å; Q226-I230 PolarHBondContact O-N 2.8Å; D227-I230 PolarHBondContact O-N 3.49Å; I230-R232 PolarHBondContact O-N 3.09Å; I230-S233 VanDerWaalsContact O-CB 3.25Å; I230-S233 WeakPolarHBondContact O-CB 3.23Å; I230-S233 PolarHBondContact O-N 3.47Å; I230-S233 PolarHBondContact O-OG 3.42Å; I230-I240 HydrophobicContact CB-CD1 3.77Å; I230-I240 HydrophobicContact CB-CG1 4.4Å; I230-I240 HydrophobicContact CG2-CD1 3.8Å; I230-I240 HydrophobicContact CG2-CG1 3.87Å
231S95.1Very high93.6Very high9 Ų976.6 Ų76.66%0.06337%0.374CS..Hα-helixtrans-61.9-26.817978.70000113.4D227 M228 K229 N238 N290D227-S231 WeakPolarHBondContact O-CB 3.44Å; D227-S231 PolarHBondContact O-N 3Å; M228-S231 PolarHBondContact O-OG 3.14Å; K229-S231 VanDerWaalsContact C-N 3.31Å; K229-S231 PolarHBondContact O-N 2.97Å; S231-N238 PolarHBondContact O-ND2 3.04Å; S231-N290 WeakPolarHBondContact CA-OD1 3.31Å; S231-N290 WeakPolarHBondContact CB-OD1 3.43Å; S231-N290 PolarHBondContact O-ND2 2.96Å
232R94.8Very high93.5Very high189 Ų18980.1 Ų80.171%0.71339%0.387SS*.THydrogen-bonded Turntrans-89-8.7176.6-68.4173.4-178.8-179.71113.3M228 K229 I230M228-R232 WeakPolarHBondContact O-CG 3.21Å; M228-R232 PolarHBondContact O-N 2.68Å; K229-R232 PolarHBondContact O-N 3.32Å; I230-R232 PolarHBondContact O-N 3.09Å
233S93.2Very high93.3Very high39 Ų3976.5 Ų76.527%0.27336%0.364SS..SBendtrans-72.6167.5179.780.10000111.5K229 I230 S237 N238K229-S233 PolarHBondContact O-N 3.32Å; I230-S233 VanDerWaalsContact O-CB 3.25Å; I230-S233 WeakPolarHBondContact O-CB 3.23Å; I230-S233 PolarHBondContact O-N 3.47Å; I230-S233 PolarHBondContact O-OG 3.42Å; S233-S237 VanDerWaalsContact CB-OG 3.25Å; S233-S237 WeakPolarHBondContact CB-OG 3.2Å; S233-S237 PolarHBondContact OG-OG 3.25Å; S233-N238 WeakPolarHBondContact OG-CA 3.37Å; S233-N238 PolarHBondContact OG-N 3.4Å
234N88.7Confident93.2Very high133 Ų13372.6 Ų72.671%0.71134%0.343SS*.  trans-59.6153.7177.9-68.1-30.2000111.4K236 S237 N238N234-K236 PolarHBondContact O-N 2.91Å; N234-S237 PolarHBondContact N-OG 3.49Å; N234-S237 PolarHBondContact O-N 3.49Å; N234-S237 PolarHBondContact O-OG 2.97Å; N234-N238 WeakPolarHBondContact O-CB 3.35Å; N234-N238 PolarHBondContact O-N 3.4Å
235Q81.7Confident93Very high112 Ų11270.9 Ų70.952%0.52334%0.336SS..THydrogen-bonded Turntrans-52.4-33.8-176.5-172.5172.6-3.500113.9L241Q235-L241 HydrophobicContact CG-CD2 3.84Å
236K82.9Confident92.7Very high217 Ų21763.1 Ų63.194%0.94331%0.307SS*.THydrogen-bonded Turntrans-71.7-28.5178.4-63.6-172.6179.1-176.10114.1N234N234-K236 PolarHBondContact O-N 2.91Å
237S87.3Confident92.2Very high69 Ų6959.2 Ų59.248%0.48329%0.29SS..THydrogen-bonded Turntrans-99.6-9.9179.654.40000113.1S233 N234 S239S233-S237 VanDerWaalsContact CB-OG 3.25Å; S233-S237 WeakPolarHBondContact CB-OG 3.2Å; S233-S237 PolarHBondContact OG-OG 3.25Å; N234-S237 PolarHBondContact N-OG 3.49Å; N234-S237 PolarHBondContact O-N 3.49Å; N234-S237 PolarHBondContact O-OG 2.97Å; S237-S239 PolarHBondContact O-N 2.85Å
238N92.4Very high91.4Very high14 Ų1459.6 Ų59.68%0.07529%0.292CS..  trans-8591.6-176.7-173.2-12.4000110.6S231 S233 N234 I240 L241 N290S231-N238 PolarHBondContact O-ND2 3.04Å; S233-N238 WeakPolarHBondContact OG-CA 3.37Å; S233-N238 PolarHBondContact OG-N 3.4Å; N234-N238 WeakPolarHBondContact O-CB 3.35Å; N234-N238 PolarHBondContact O-N 3.4Å; N238-I240 PolarHBondContact O-N 3.44Å; N238-I240 WeakPolarHBondContact OD1-CA 3.3Å; N238-I240 WeakPolarHBondContact OD1-CB 3.44Å; N238-I240 PolarHBondContact OD1-N 3.48Å; N238-L241 HydrophobicContact CB-CB 4.35Å; N238-L241 PolarHBondContact OD1-N 2.7Å; N238-N290 PolarHBondContact ND2-ND2 2.79Å; N238-N290 PolarHBondContact ND2-OD1 2.8Å
239S92.2Very high90.2Very high72 Ų7260 Ų6050%0.50329%0.292SS..SBendtrans-70.1-15.1175.756.60000114S237 R242S237-S239 PolarHBondContact O-N 2.85Å; S239-R242 PolarHBondContact O-NH2 3.4Å
240I94.9Very high89Confident5 Ų558.6 Ų58.63%0.02630%0.295CS..SBendtrans-84.3-34.5-177.8-63.1172.9000111D227 I230 N238 R242 N290 R293 F294D227-I240 HydrophobicContact CB-CD1 3.72Å; D227-I240 WeakPolarHBondContact O-CD1 3.44Å; I230-I240 HydrophobicContact CB-CD1 3.77Å; I230-I240 HydrophobicContact CB-CG1 4.4Å; I230-I240 HydrophobicContact CG2-CD1 3.8Å; I230-I240 HydrophobicContact CG2-CG1 3.87Å; N238-I240 PolarHBondContact O-N 3.44Å; N238-I240 WeakPolarHBondContact OD1-CA 3.3Å; N238-I240 WeakPolarHBondContact OD1-CB 3.44Å; N238-I240 PolarHBondContact OD1-N 3.48Å; I240-R242 PolarHBondContact O-N 3.41Å; I240-N290 VanDerWaalsContact CG2-O 3.29Å; I240-N290 WeakPolarHBondContact CG2-O 3.28Å; I240-R293 WeakPolarHBondContact O-CD 3.4Å; I240-R293 PolarHBondContact O-NH1 2.95Å; I240-F294 HydrophobicContact CD1-CD1 4.33Å; I240-F294 HydrophobicContact CD1-CE1 3.91Å; I240-F294 HydrophobicContact CG2-CD1 4.04Å; I240-F294 HydrophobicContact CG2-CE1 4Å
241L94.8Very high87.9Confident36 Ų3663.1 Ų63.119%0.18832%0.319CS..  trans-57.8127.2177.3-17969.3000110.8Q235 N238 R288 L289 N290Q235-L241 HydrophobicContact CG-CD2 3.84Å; N238-L241 HydrophobicContact CB-CB 4.35Å; N238-L241 PolarHBondContact OD1-N 2.7Å; L241-R288 HydrophobicContact CD1-CB 4.37Å; L241-L289 WeakPolarHBondContact CA-O 3.42Å; L241-N290 HydrophobicContact CD1-CB 4Å
242R93.9Very high87.1Confident75 Ų7563.6 Ų63.628%0.28332%0.321SS..EExtended strand (participates in β ladder)trans-133.5145.6172.7-62.4-64.9161.7149-3.6110.7S239 I240 V257 L289 R293S239-R242 PolarHBondContact O-NH2 3.4Å; I240-R242 PolarHBondContact O-N 3.41Å; R242-V257 HydrophobicContact CB-CG1 4.07Å; R242-V257 HydrophobicContact CG-CG1 4.34Å; R242-L289 PolarHBondContact N-O 2.88Å; R242-L289 PolarHBondContact O-N 2.91Å; R242-R293 VanDerWaalsContact CG-NH1 3.28Å
243E93.5Very high86.3Confident16 Ų1659.6 Ų59.68%0.07531%0.311CS..EExtended strand (participates in β ladder)trans-99.8122.8172.2-70.9-165.8156.800108.3R258 V263 V286 L287 R288E243-R258 HydrophobicContact CB-CB 4.14Å; E243-R258 PolarHBondContact O-N 3.02Å; E243-R258 IonicContact OE2-NH1 3.52Å; E243-V263 WeakPolarHBondContact OE2-CG2 3.36Å; E243-V286 HydrophobicContact CB-CG1 3.64Å; E243-V286 HydrophobicContact CG-CG1 3.98Å; E243-L287 CarbonylContact C-O 3.46Å; E243-L287 WeakPolarHBondContact CA-O 3.37Å; E243-R288 HydrophobicContact CG-CG 4.12Å; E243-R288 IonicContact OE1-CZ 3.3Å; E243-R288 IonicContact OE1-NE 3.45Å; E243-R288 PolarHBondContact OE1-NE 2.96Å; E243-R288 IonicContact OE1-NH2 3.58Å; E243-R288 PolarHBondContact OE1-NH2 3.22Å
244Y94.2Very high86.1Confident0 Ų063.3 Ų63.30%032%0.319CS..EExtended strand (participates in β ladder)trans-106118175.9-168.4-95.5000109.2C213 D216 V217 L246 G255 V257 V286 L287C213-Y244 HydrophobicContact CB-CD1 4.04Å; C213-Y244 HydrophobicContact CB-CE1 3.7Å; C213-Y244 HydrophobicContact CB-CE2 4.34Å; C213-Y244 HydrophobicContact CB-CG 4.47Å; C213-Y244 VanDerWaalsContact SG-CD1 3.59Å; D216-Y244 HydrophobicContact CB-CE2 3.78Å; D216-Y244 VanDerWaalsContact OD2-CE2 3.29Å; D216-Y244 WeakPolarHBondContact OD2-CE2 3.26Å; D216-Y244 PolarHBondContact OD2-OH 3.13Å; V217-Y244 HydrophobicContact CG1-CD2 3.62Å; V217-Y244 HydrophobicContact CG1-CE2 4.26Å; V217-Y244 HydrophobicContact CG1-CG 4.42Å; Y244-L246 HydrophobicContact CD1-CD2 4.07Å; Y244-L246 HydrophobicContact CE1-CD2 4.27Å; Y244-L246 PolarHBondContact O-N 3.32Å; Y244-G255 VanDerWaalsContact OH-C 3.26Å; Y244-G255 PolarHBondContact OH-O 3.26Å; Y244-V257 HydrophobicContact CD2-CG2 4.03Å; Y244-V257 HydrophobicContact CE2-CG2 4.28Å; Y244-V286 CarbonylContact O-C 3.56Å; Y244-V286 WeakPolarHBondContact O-CA 3.46Å; Y244-L287 PolarHBondContact N-O 3.18Å; Y244-L287 PolarHBondContact O-N 3.14Å
245V91.7Very high86.1Confident3 Ų357 Ų572%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-82.9116.7177.2-172.90000107.8G255 Y256 R258 Y285 V286V245-G255 CarbonylContact O-C 3.43Å; V245-G255 WeakPolarHBondContact O-CA 3.47Å; V245-Y256 HydrophobicContact CB-CD1 4.09Å; V245-Y256 HydrophobicContact CB-CE1 3.73Å; V245-Y256 HydrophobicContact CB-CE2 4.31Å; V245-Y256 HydrophobicContact CG1-CE1 3.87Å; V245-Y256 HydrophobicContact CG2-CD2 4.47Å; V245-Y256 HydrophobicContact CG2-CE1 4.15Å; V245-Y256 HydrophobicContact CG2-CE2 3.9Å; V245-Y256 PolarHBondContact N-O 2.62Å; V245-Y256 PolarHBondContact O-N 3.39Å; V245-R258 HydrophobicContact CG2-CB 4.15Å; V245-Y285 CarbonylContact C-O 3.55Å; V245-V286 HydrophobicContact CG2-CG2 4.22Å
246L90.4Very high86.6Confident16 Ų1656.3 Ų56.38%0.08428%0.279CS..PPolyproline II helixtrans-71.7150.5172.5-64.4176.6000110.4L201 I209 Y244 N248 Y285 L287L201-L246 HydrophobicContact CD2-CD1 3.76Å; I209-L246 HydrophobicContact CG2-CD2 3.69Å; Y244-L246 HydrophobicContact CD1-CD2 4.07Å; Y244-L246 HydrophobicContact CE1-CD2 4.27Å; Y244-L246 PolarHBondContact O-N 3.32Å; L246-N248 PolarHBondContact O-N 2.97Å; L246-Y285 VanDerWaalsContact CB-O 3.29Å; L246-Y285 WeakPolarHBondContact CB-O 3.46Å; L246-Y285 PolarHBondContact N-O 2.85Å; L246-L287 HydrophobicContact CD1-CD1 4.19Å; L246-L287 HydrophobicContact CD1-CD2 3.99Å; L246-L287 HydrophobicContact CD1-CG 3.83Å; L246-L287 HydrophobicContact CD2-CD1 3.72Å; L246-L287 HydrophobicContact CD2-CG 4.04Å; L246-L287 HydrophobicContact CG-CD1 4.16Å; L246-L287 HydrophobicContact CG-CG 3.91Å
247P87Confident87.1Confident5 Ų548.4 Ų48.43%0.03225%0.248CC..PPolyproline II helixtrans-64.2134175.328.8-34.9000111.2I209 Y249 V252 H253I209-P247 HydrophobicContact CD1-CG 3.79Å; I209-P247 HydrophobicContact CG1-CG 4.17Å; I209-P247 HydrophobicContact CG2-CG 4.22Å; P247-Y249 HydrophobicContact CB-CD1 4.24Å; P247-Y249 HydrophobicContact CB-CE1 3.78Å; P247-Y249 HydrophobicContact CG-CE1 3.93Å; P247-V252 CarbonylContact C-O 3.58Å; P247-V252 WeakPolarHBondContact CA-O 3.42Å; P247-V252 WeakPolarHBondContact CB-O 3.45Å; P247-H253 WeakPolarHBondContact CB-O 3.15Å
248N79.5Confident87.2Confident35 Ų3546.6 Ų46.619%0.18723%0.231CC..  trans-100.9-5.6173.372.2-1.9000112.5L246 V250 D251 V252 Y285L246-N248 PolarHBondContact O-N 2.97Å; N248-V250 PolarHBondContact O-N 2.82Å; N248-V250 VanDerWaalsContact O-N 3.12Å; N248-V250 PolarHBondContact OD1-N 3.41Å; N248-D251 PolarHBondContact OD1-N 2.67Å; N248-V252 PolarHBondContact N-O 2.88Å; N248-V252 PolarHBondContact OD1-N 3.23Å; N248-V252 PolarHBondContact OD1-O 3.29Å; N248-Y285 HydrophobicContact CB-CD1 4.18Å; N248-Y285 HydrophobicContact CB-CE1 4.08Å
249Y72.9Confident86.9Confident42 Ų4250 Ų5017%0.16525%0.249CC..SBendtrans62.112179.6-50.3-61.1000115.8N52 N53 L54 S55 I209 P247 V252 H253N52-Y249 WeakPolarHBondContact O-CB 3.42Å; N52-Y249 WeakPolarHBondContact O-CD1 3.16Å; N53-Y249 HydrophobicContact CB-CD2 4.37Å; N53-Y249 HydrophobicContact CB-CG 4.29Å; N53-Y249 WeakPolarHBondContact OD1-CD2 3.44Å; N53-Y249 VanDerWaalsContact OD1-CE2 3.29Å; N53-Y249 WeakPolarHBondContact OD1-CE2 3.36Å; L54-Y249 VanDerWaalsContact C-OH 3.23Å; L54-Y249 WeakPolarHBondContact CA-OH 3.43Å; L54-Y249 HydrophobicContact CB-CE1 3.56Å; L54-Y249 VanDerWaalsContact CB-OH 3.3Å; L54-Y249 WeakPolarHBondContact CB-OH 3.43Å; L54-Y249 HydrophobicContact CD1-CE1 4.07Å; L54-Y249 HydrophobicContact CG-CE1 3.74Å; S55-Y249 PolarHBondContact N-OH 3.39Å; I209-Y249 WeakPolarHBondContact CD1-OH 3.31Å; P247-Y249 HydrophobicContact CB-CD1 4.24Å; P247-Y249 HydrophobicContact CB-CE1 3.78Å; P247-Y249 HydrophobicContact CG-CE1 3.93Å; Y249-V252 PolarHBondContact N-O 3.33Å; Y249-H253 PolarHBondContact O-CE1 2.74Å
250V72.6Confident86.4Confident108 Ų10849 Ų4966%0.65524%0.241SC*.SBendtrans-109.9-57.2174.7-179.10000109.2N248N248-V250 PolarHBondContact O-N 2.82Å; N248-V250 VanDerWaalsContact O-N 3.12Å; N248-V250 PolarHBondContact OD1-N 3.41Å
251D72.9Confident85.5Confident131 Ų13154.1 Ų54.170%0.70127%0.268SS*.SBendtrans-114.5-27.3179.4-48.6-59.6000111.6N248N248-D251 PolarHBondContact OD1-N 2.67Å
252V77.1Confident84.5Confident18 Ų1855.2 Ų55.211%0.10928%0.277CS..  trans-118.4105-175.7-1730000108.5P247 N248 Y249 R254 Y256P247-V252 CarbonylContact C-O 3.58Å; P247-V252 WeakPolarHBondContact CA-O 3.42Å; P247-V252 WeakPolarHBondContact CB-O 3.45Å; N248-V252 PolarHBondContact N-O 2.88Å; N248-V252 PolarHBondContact OD1-N 3.23Å; N248-V252 PolarHBondContact OD1-O 3.29Å; Y249-V252 PolarHBondContact N-O 3.33Å; V252-R254 VanDerWaalsContact CG1-O 3.23Å; V252-R254 WeakPolarHBondContact CG1-O 3.41Å; V252-Y256 HydrophobicContact CG1-CD1 3.96Å; V252-Y256 HydrophobicContact CG1-CE1 3.87Å; V252-Y256 HydrophobicContact CG2-CE1 4.08Å
253H79.2Confident82.9Confident106 Ų10652.7 Ų52.749%0.49127%0.269SS..SBendtrans-94-29.2179.1-65-69000113.4P247 Y249P247-H253 WeakPolarHBondContact CB-O 3.15Å; Y249-H253 PolarHBondContact O-CE1 2.74Å
254R87.4Confident81.1Confident117 Ų11756.3 Ų56.344%0.44229%0.293SS..SBendtrans-120.6135.6170.9-173.1-167-179.4-77.45.3108.3D216 V252D216-R254 IonicContact OD1-CZ 2.77Å; D216-R254 IonicContact OD1-NH1 3.33Å; D216-R254 PolarHBondContact OD1-NH1 3.28Å; D216-R254 IonicContact OD1-NH2 3.29Å; D216-R254 PolarHBondContact OD1-NH2 3.43Å; D216-R254 IonicContact OD2-CZ 2.7Å; D216-R254 IonicContact OD2-NH1 2.75Å; D216-R254 PolarHBondContact OD2-NH1 3.39Å; D216-R254 IonicContact OD2-NH2 2.91Å; D216-R254 PolarHBondContact OD2-NH2 2.85Å; V252-R254 VanDerWaalsContact CG1-O 3.23Å; V252-R254 WeakPolarHBondContact CG1-O 3.41Å
255G89.4Confident79.2Confident1 Ų160.1 Ų60.11%0.0132%0.319CS..  trans-62.6159.9175.300000112.6Y244 V245Y244-G255 VanDerWaalsContact OH-C 3.26Å; Y244-G255 PolarHBondContact OH-O 3.26Å; V245-G255 CarbonylContact O-C 3.43Å; V245-G255 WeakPolarHBondContact O-CA 3.47Å
256Y92.8Very high77.2Confident97 Ų9762.5 Ų62.538%0.3833%0.33SS..EExtended strand (participates in β ladder)trans-152.2157.4179.466.8-86.1000112.2V245 V252V245-Y256 HydrophobicContact CB-CD1 4.09Å; V245-Y256 HydrophobicContact CB-CE1 3.73Å; V245-Y256 HydrophobicContact CB-CE2 4.31Å; V245-Y256 HydrophobicContact CG1-CE1 3.87Å; V245-Y256 HydrophobicContact CG2-CD2 4.47Å; V245-Y256 HydrophobicContact CG2-CE1 4.15Å; V245-Y256 HydrophobicContact CG2-CE2 3.9Å; V245-Y256 PolarHBondContact N-O 2.62Å; V245-Y256 PolarHBondContact O-N 3.39Å; V252-Y256 HydrophobicContact CG1-CD1 3.96Å; V252-Y256 HydrophobicContact CG1-CE1 3.87Å; V252-Y256 HydrophobicContact CG2-CE1 4.08Å
257V93.1Very high75.3Confident51 Ų5168 Ų6831%0.30936%0.36SS..EExtended strand (participates in β ladder)trans-79.6121.2174.3-166.80000109.2D216 V217 R242 Y244D216-V257 HydrophobicContact CB-CG2 4.09Å; V217-V257 HydrophobicContact CG1-CG2 3.67Å; R242-V257 HydrophobicContact CB-CG1 4.07Å; R242-V257 HydrophobicContact CG-CG1 4.34Å; Y244-V257 HydrophobicContact CD2-CG2 4.03Å; Y244-V257 HydrophobicContact CE2-CG2 4.28Å
258R90.3Very high73.5Confident31 Ų3172.4 Ų72.412%0.11739%0.39CS..PPolyproline II helixtrans-70.6137174.1-179179-88.5-169.6-16110E243 V245 T262 V263E243-R258 HydrophobicContact CB-CB 4.14Å; E243-R258 PolarHBondContact O-N 3.02Å; E243-R258 IonicContact OE2-NH1 3.52Å; V245-R258 HydrophobicContact CG2-CB 4.15Å; R258-T262 WeakPolarHBondContact CG-OG1 3.3Å; R258-V263 HydrophobicContact CG-CG2 4.3Å
259D85.5Confident71.9Confident84 Ų8473.3 Ų73.345%0.44940%0.399SS..PPolyproline II helixtrans-63.8124.6176-174.1-39.8000109.9N261 T262D259-N261 PolarHBondContact O-N 3.18Å; D259-N261 VanDerWaalsContact O-N 3.14Å; D259-N261 VanDerWaalsContact OD1-CB 3.27Å; D259-N261 WeakPolarHBondContact OD1-CB 3.39Å; D259-N261 PolarHBondContact OD1-N 3.09Å; D259-N261 PolarHBondContact OD1-ND2 3.26Å; D259-T262 HydrophobicContact CB-CG2 4.01Å; D259-T262 PolarHBondContact O-N 3.27Å; D259-T262 VanDerWaalsContact O-N 3.12Å; D259-T262 PolarHBondContact O-OG1 2.92Å
260P81Confident70.6Confident52 Ų5277.4 Ų77.434%0.33842%0.424SS..Hα-helixtrans-54.8-31.9178.8-23.331.2000114.5T262 V263P260-T262 VanDerWaalsContact C-N 3.31Å; P260-T262 PolarHBondContact O-N 3.1Å; P260-V263 PolarHBondContact O-N 2.96Å
261N77.3Confident69.3Low113 Ų11378.4 Ų78.460%0.60443%0.426SS*.Hα-helixtrans-69.8-29.5-177.7-63.8-33.2000112.2D259 V263 V264 S265D259-N261 PolarHBondContact O-N 3.18Å; D259-N261 VanDerWaalsContact O-N 3.14Å; D259-N261 VanDerWaalsContact OD1-CB 3.27Å; D259-N261 WeakPolarHBondContact OD1-CB 3.39Å; D259-N261 PolarHBondContact OD1-N 3.09Å; D259-N261 PolarHBondContact OD1-ND2 3.26Å; N261-V263 VanDerWaalsContact C-N 3.31Å; N261-V263 PolarHBondContact O-N 3.05Å; N261-V264 PolarHBondContact O-N 3.36Å; N261-S265 PolarHBondContact O-N 3.03Å; N261-S265 PolarHBondContact O-OG 2.97Å
262T72.3Confident67.9Low59 Ų5978.5 Ų78.536%0.36242%0.42SS..Hα-helixtrans-64.3-38.2177.359.60000111.5R258 D259 P260 V264 S265 E266R258-T262 WeakPolarHBondContact CG-OG1 3.3Å; D259-T262 HydrophobicContact CB-CG2 4.01Å; D259-T262 PolarHBondContact O-N 3.27Å; D259-T262 VanDerWaalsContact O-N 3.12Å; D259-T262 PolarHBondContact O-OG1 2.92Å; P260-T262 VanDerWaalsContact C-N 3.31Å; P260-T262 PolarHBondContact O-N 3.1Å; T262-V264 VanDerWaalsContact C-N 3.33Å; T262-V264 PolarHBondContact O-N 2.8Å; T262-S265 PolarHBondContact O-N 3.16Å; T262-E266 WeakPolarHBondContact O-CG 3.31Å; T262-E266 PolarHBondContact O-N 3.18Å
263V60.2Low66.6Low21 Ų2182.3 Ų82.313%0.12745%0.447CS..Hα-helixtrans-67-31.4178.8-174.50000112.4E243 R258 P260 N261 N267E243-V263 WeakPolarHBondContact OE2-CG2 3.36Å; R258-V263 HydrophobicContact CG-CG2 4.3Å; P260-V263 PolarHBondContact O-N 2.96Å; N261-V263 VanDerWaalsContact C-N 3.31Å; N261-V263 PolarHBondContact O-N 3.05Å; V263-N267 PolarHBondContact O-ND2 3.14Å; V263-N267 VanDerWaalsContact O-ND2 3.07Å
264V56.7Low65Low93 Ų9385.3 Ų85.356%0.56446%0.461SS*.Hα-helixtrans-75.9-38.2-179.9-172.20000111.2N261 T262 N267 S268N261-V264 PolarHBondContact O-N 3.36Å; T262-V264 VanDerWaalsContact C-N 3.33Å; T262-V264 PolarHBondContact O-N 2.8Å; V264-N267 PolarHBondContact O-N 2.86Å; V264-S268 PolarHBondContact O-OG 2.79Å; V264-S268 VanDerWaalsContact O-OG 3.07Å
265S54.2Low62.8Low79 Ų7983.4 Ų83.455%0.55246%0.458SS*.Hα-helixtrans-67.4-40.7177.8-63.20000112.2N261 T262 N267 S268 S269N261-S265 PolarHBondContact O-N 3.03Å; N261-S265 PolarHBondContact O-OG 2.97Å; T262-S265 PolarHBondContact O-N 3.16Å; S265-N267 VanDerWaalsContact C-N 3.28Å; S265-N267 PolarHBondContact O-N 3.04Å; S265-S268 PolarHBondContact O-N 3.15Å; S265-S269 PolarHBondContact O-N 3.08Å; S265-S269 PolarHBondContact O-OG 2.95Å
266E49.9Very low60.3Low54 Ų5491.1 Ų91.125%0.25249%0.486SS..Hα-helixtrans-63.8-29.2178.2-73.8175.3-175.400113.6T262 S268T262-E266 WeakPolarHBondContact O-CG 3.31Å; T262-E266 PolarHBondContact O-N 3.18Å; E266-S268 VanDerWaalsContact C-N 3.26Å; E266-S268 PolarHBondContact O-N 3.09Å
267N49.2Very low58Low132 Ų13289.3 Ų89.371%0.70649%0.492SS*.THydrogen-bonded Turntrans-78.7-9.5174.5-73.5-42.7000113.4V263 V264 S265V263-N267 PolarHBondContact O-ND2 3.14Å; V263-N267 VanDerWaalsContact O-ND2 3.07Å; V264-N267 PolarHBondContact O-N 2.86Å; S265-N267 VanDerWaalsContact C-N 3.28Å; S265-N267 PolarHBondContact O-N 3.04Å
268S50.9Low55.9Low97 Ų9789.1 Ų89.168%0.67849%0.492SS*.THydrogen-bonded Turntrans-106.8-22.6-175.2-55.70000113.4V264 S265 E266V264-S268 PolarHBondContact O-OG 2.79Å; V264-S268 VanDerWaalsContact O-OG 3.07Å; S265-S268 PolarHBondContact O-N 3.15Å; E266-S268 VanDerWaalsContact C-N 3.26Å; E266-S268 PolarHBondContact O-N 3.09Å
269S45Very low53.8Low53 Ų5389.7 Ų89.737%0.37150%0.498SS..  trans-91.1128.4-179.247.30000113.1S265 D271 Q275S265-S269 PolarHBondContact O-N 3.08Å; S265-S269 PolarHBondContact O-OG 2.95Å; S269-D271 VanDerWaalsContact C-N 3.3Å; S269-D271 PolarHBondContact O-N 3.42Å; S269-Q275 PolarHBondContact OG-OE1 3.29Å
270N46Very low51.9Low128 Ų12891.3 Ų91.368%0.68451%0.506SS*.  trans-8414-178.5-100-33.9000114.6K272N270-K272 WeakPolarHBondContact O-CG 3.15Å; N270-K272 PolarHBondContact O-N 3.23Å; N270-K272 WeakPolarHBondContact OD1-CE 3.39Å
271D44.3Very low50.4Low129 Ų12992.2 Ų92.269%0.6951%0.514SS*.  trans-80.889.6177.1-80.7-25.2000110.8S269S269-D271 VanDerWaalsContact C-N 3.3Å; S269-D271 PolarHBondContact O-N 3.42Å
272K45.2Very low49.3Very low133 Ų13389.2 Ų89.258%0.57850%0.496SS*.  trans-87-1.8-160.8-79.3174.5-176.2174.50117N270 R276N270-K272 WeakPolarHBondContact O-CG 3.15Å; N270-K272 PolarHBondContact O-N 3.23Å; N270-K272 WeakPolarHBondContact OD1-CE 3.39Å; K272-R276 WeakPolarHBondContact O-CB 3.48Å; K272-R276 WeakPolarHBondContact O-CD 3.22Å
273S48.1Very low48.5Very low98 Ų9893 Ų9369%0.68551%0.51SS*.SBendtrans-101.6-57.3-17349.50000113.8
274E46.1Very low48.7Very low169 Ų16994.5 Ų94.579%0.7953%0.529SS*.Hα-helixtrans-81.1-42.9-173.5-70.5-179.6171.400112.8R276 A277 S278E274-R276 VanDerWaalsContact C-N 3.29Å; E274-R276 PolarHBondContact O-N 2.94Å; E274-A277 PolarHBondContact O-N 3.44Å; E274-S278 PolarHBondContact O-N 3.21Å
275Q41.7Very low49.8Very low78 Ų7895.2 Ų95.236%0.36452%0.523SS..Hα-helixtrans-68.1-26.5176.3-78.9-179.9-15.100113.1S269 A277 S278 N279S269-Q275 PolarHBondContact OG-OE1 3.29Å; Q275-A277 VanDerWaalsContact C-N 3.35Å; Q275-S278 WeakPolarHBondContact CA-OG 3.47Å; Q275-S278 PolarHBondContact O-OG 3.18Å; Q275-N279 VanDerWaalsContact O-CB 3.27Å; Q275-N279 WeakPolarHBondContact O-CB 3.3Å; Q275-N279 PolarHBondContact O-N 3.16Å; Q275-N279 PolarHBondContact O-ND2 2.9Å
276R37.3Very low51.4Low162 Ų16292.7 Ų92.761%0.61150%0.504SS*.Hα-helixtrans-73-31.2179.2-143.8174-171.2-168.41111.6K272 E274 L280K272-R276 WeakPolarHBondContact O-CB 3.48Å; K272-R276 WeakPolarHBondContact O-CD 3.22Å; E274-R276 VanDerWaalsContact C-N 3.29Å; E274-R276 PolarHBondContact O-N 2.94Å; R276-L280 WeakPolarHBondContact O-CB 3.36Å; R276-L280 WeakPolarHBondContact O-CD1 3.36Å; R276-L280 WeakPolarHBondContact O-CG 3.1Å; R276-L280 PolarHBondContact O-N 2.99Å
277A43.8Very low53.5Low60 Ų6090.1 Ų90.150%0.49649%0.492SS..Hα-helixtrans-72.8-39.6174.300000112.4E274 Q275 N279 S281E274-A277 PolarHBondContact O-N 3.44Å; Q275-A277 VanDerWaalsContact C-N 3.35Å; A277-N279 VanDerWaalsContact C-N 3.34Å; A277-S281 WeakPolarHBondContact O-CB 3.38Å; A277-S281 PolarHBondContact O-N 2.83Å; A277-S281 PolarHBondContact O-OG 3.23Å
278S49.3Very low55.5Low46 Ų4689.5 Ų89.532%0.32248%0.48SS..Hα-helixtrans-65.2-38.1171.160.90000111.8E274 Q275 S281 Q282E274-S278 PolarHBondContact O-N 3.21Å; Q275-S278 WeakPolarHBondContact CA-OG 3.47Å; Q275-S278 PolarHBondContact O-OG 3.18Å; S278-S281 WeakPolarHBondContact CA-OG 3.42Å; S278-S281 PolarHBondContact O-OG 2.75Å; S278-Q282 WeakPolarHBondContact O-CB 3.43Å; S278-Q282 WeakPolarHBondContact O-CG 3.45Å; S278-Q282 PolarHBondContact O-N 3.3Å; S278-Q282 VanDerWaalsContact O-N 3.14Å
279N46.3Very low57.6Low43 Ų4385 Ų8523%0.2345%0.448CS..Hα-helixtrans-68.6-39.7177.8-72.9-12.5000113.3Q275 A277 Q283Q275-N279 VanDerWaalsContact O-CB 3.27Å; Q275-N279 WeakPolarHBondContact O-CB 3.3Å; Q275-N279 PolarHBondContact O-N 3.16Å; Q275-N279 PolarHBondContact O-ND2 2.9Å; A277-N279 VanDerWaalsContact C-N 3.34Å; N279-Q283 VanDerWaalsContact O-CG 3.32Å; N279-Q283 WeakPolarHBondContact O-CG 3.41Å; N279-Q283 PolarHBondContact O-N 3.45Å
280L46.3Very low60Low119 Ų11984.1 Ų84.162%0.62344%0.439SS*.Hα-helixtrans-70.8-38.4176.5-79.2159.7000112.5R276 Q282R276-L280 WeakPolarHBondContact O-CB 3.36Å; R276-L280 WeakPolarHBondContact O-CD1 3.36Å; R276-L280 WeakPolarHBondContact O-CG 3.1Å; R276-L280 PolarHBondContact O-N 2.99Å; L280-Q282 VanDerWaalsContact C-N 3.34Å
281S49Very low62.4Low71 Ų7179.5 Ų79.550%0.49742%0.415SS..Hα-helixtrans-70.1-29.9178.853.20000112.9A277 S278 Y285A277-S281 WeakPolarHBondContact O-CB 3.38Å; A277-S281 PolarHBondContact O-N 2.83Å; A277-S281 PolarHBondContact O-OG 3.23Å; S278-S281 WeakPolarHBondContact CA-OG 3.42Å; S278-S281 PolarHBondContact O-OG 2.75Å; S281-Y285 WeakPolarHBondContact O-CD2 3.26Å
282Q53.8Low64.8Low49 Ų4973.6 Ų73.623%0.22938%0.383CS..Hα-helixtrans-92-16.2-179.1-68.7-178-9.500114.7S278 L280 G284 Y285 V286S278-Q282 WeakPolarHBondContact O-CB 3.43Å; S278-Q282 WeakPolarHBondContact O-CG 3.45Å; S278-Q282 PolarHBondContact O-N 3.3Å; S278-Q282 VanDerWaalsContact O-N 3.14Å; L280-Q282 VanDerWaalsContact C-N 3.34Å; Q282-G284 PolarHBondContact O-N 2.9Å; Q282-G284 VanDerWaalsContact O-N 3.15Å; Q282-Y285 CarbonylContact O-C 3.6Å; Q282-Y285 WeakPolarHBondContact O-CA 3.13Å; Q282-Y285 PolarHBondContact O-N 3.16Å; Q282-V286 WeakPolarHBondContact O-CG2 3.37Å; Q282-V286 PolarHBondContact O-N 3.45Å
283Q54.8Low67.3Low139 Ų13968.9 Ų68.965%0.6536%0.361SS*.G310 helixtrans-55.7-35.3-177.6-95.5173.57.900114N279 Y285N279-Q283 VanDerWaalsContact O-CG 3.32Å; N279-Q283 WeakPolarHBondContact O-CG 3.41Å; N279-Q283 PolarHBondContact O-N 3.45Å; Q283-Y285 PolarHBondContact O-N 3.39Å
284G64.4Low69.7Low53 Ų5364.2 Ų64.255%0.54633%0.329SS..G310 helixtrans-74.8-10175.900000114.8Q282Q282-G284 PolarHBondContact O-N 2.9Å; Q282-G284 VanDerWaalsContact O-N 3.15Å
285Y80Confident72.1Confident107 Ų10757.9 Ų57.942%0.4230%0.301SS..G310 helixtrans-113.67.9-175.6-62.6-84000112.6V245 L246 N248 S281 Q282 Q283V245-Y285 CarbonylContact C-O 3.55Å; L246-Y285 VanDerWaalsContact CB-O 3.29Å; L246-Y285 WeakPolarHBondContact CB-O 3.46Å; L246-Y285 PolarHBondContact N-O 2.85Å; N248-Y285 HydrophobicContact CB-CD1 4.18Å; N248-Y285 HydrophobicContact CB-CE1 4.08Å; S281-Y285 WeakPolarHBondContact O-CD2 3.26Å; Q282-Y285 CarbonylContact O-C 3.6Å; Q282-Y285 WeakPolarHBondContact O-CA 3.13Å; Q282-Y285 PolarHBondContact O-N 3.16Å; Q283-Y285 PolarHBondContact O-N 3.39Å
286V89.2Confident74.8Confident26 Ų2654.2 Ų54.216%0.15829%0.285CS..EExtended strand (participates in β ladder)trans-111.6120.1-179.6179.30000110.6E243 Y244 V245 Q282E243-V286 HydrophobicContact CB-CG1 3.64Å; E243-V286 HydrophobicContact CG-CG1 3.98Å; Y244-V286 CarbonylContact O-C 3.56Å; Y244-V286 WeakPolarHBondContact O-CA 3.46Å; V245-V286 HydrophobicContact CG2-CG2 4.22Å; Q282-V286 WeakPolarHBondContact O-CG2 3.37Å; Q282-V286 PolarHBondContact O-N 3.45Å
287L92.2Very high77.7Confident1 Ų146.5 Ų46.51%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-90129.4170.1-60-177.8000110.2V196 H200 L201 V203 M210 E243 Y244 L246 L289V196-L287 HydrophobicContact CG1-CD1 3.85Å; V196-L287 HydrophobicContact CG1-CD2 3.69Å; V196-L287 HydrophobicContact CG1-CG 4.32Å; H200-L287 HydrophobicContact CB-CD2 4.39Å; L201-L287 HydrophobicContact CB-CD2 4.03Å; L201-L287 HydrophobicContact CD2-CD2 4.38Å; V203-L287 HydrophobicContact CG1-CD2 4.44Å; M210-L287 HydrophobicContact CE-CD1 4.05Å; M210-L287 HydrophobicContact SD-CD1 3.72Å; E243-L287 CarbonylContact C-O 3.46Å; E243-L287 WeakPolarHBondContact CA-O 3.37Å; Y244-L287 PolarHBondContact N-O 3.18Å; Y244-L287 PolarHBondContact O-N 3.14Å; L246-L287 HydrophobicContact CD1-CD1 4.19Å; L246-L287 HydrophobicContact CD1-CD2 3.99Å; L246-L287 HydrophobicContact CD1-CG 3.83Å; L246-L287 HydrophobicContact CD2-CD1 3.72Å; L246-L287 HydrophobicContact CD2-CG 4.04Å; L246-L287 HydrophobicContact CG-CD1 4.16Å; L246-L287 HydrophobicContact CG-CG 3.91Å; L287-L289 HydrophobicContact CB-CG 4.5Å
288R92Very high80.2Confident119 Ų11943.9 Ų43.945%0.44923%0.233SC..EExtended strand (participates in β ladder)trans-93.2114.6171.4-71.1-177.4167.4174.20.1109H200 L241 E243H200-R288 PolarHBondContact CE1-O 2.94Å; H200-R288 PolarHBondContact NE2-O 3.22Å; H200-R288 VanDerWaalsContact NE2-O 3.11Å; L241-R288 HydrophobicContact CD1-CB 4.37Å; E243-R288 HydrophobicContact CG-CG 4.12Å; E243-R288 IonicContact OE1-CZ 3.3Å; E243-R288 IonicContact OE1-NE 3.45Å; E243-R288 PolarHBondContact OE1-NE 2.96Å; E243-R288 IonicContact OE1-NH2 3.58Å; E243-R288 PolarHBondContact OE1-NH2 3.22Å
289L94.8Very high82.5Confident1 Ų142 Ų421%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-113.9125.8-178.7-65169.2000109L192 V196 C213 V217 L241 R242 L287 E292 R293L192-L289 HydrophobicContact CD1-CD2 4.07Å; V196-L289 HydrophobicContact CG2-CD2 3.54Å; C213-L289 WeakPolarHBondContact SG-CD1 3.48Å; V217-L289 HydrophobicContact CB-CD1 4.21Å; V217-L289 HydrophobicContact CG1-CD1 4.14Å; V217-L289 HydrophobicContact CG2-CD1 3.5Å; V217-L289 VanDerWaalsContact CG2-CD1 3.5Å; L241-L289 WeakPolarHBondContact CA-O 3.42Å; R242-L289 PolarHBondContact N-O 2.88Å; R242-L289 PolarHBondContact O-N 2.91Å; L287-L289 HydrophobicContact CB-CG 4.5Å; L289-E292 HydrophobicContact CD2-CB 4.3Å; L289-R293 HydrophobicContact CB-CG 3.89Å
290N95.1Very high84.9Confident35 Ų3540 Ų4019%0.18721%0.209CC..SBendtrans-126.3-102.5-175.5-170.211000108.8S231 N238 I240 L241 E292 R293S231-N290 WeakPolarHBondContact CA-OD1 3.31Å; S231-N290 WeakPolarHBondContact CB-OD1 3.43Å; S231-N290 PolarHBondContact O-ND2 2.96Å; N238-N290 PolarHBondContact ND2-ND2 2.79Å; N238-N290 PolarHBondContact ND2-OD1 2.8Å; I240-N290 VanDerWaalsContact CG2-O 3.29Å; I240-N290 WeakPolarHBondContact CG2-O 3.28Å; L241-N290 HydrophobicContact CD1-CB 4Å; N290-E292 PolarHBondContact N-OE2 3.25Å; N290-E292 PolarHBondContact O-N 3.33Å; N290-R293 WeakPolarHBondContact O-CB 3.26Å; N290-R293 WeakPolarHBondContact O-CG 3.28Å; N290-R293 PolarHBondContact O-N 2.72Å
291N96.3Very high87.4Confident32 Ų3234.6 Ų34.617%0.17118%0.18CC..THydrogen-bonded Turntrans-67.7-21.2-179.167.2-40.9000113M228 R293 F294 T295M228-N291 HydrophobicContact SD-CB 4.22Å; N291-R293 PolarHBondContact O-N 2.94Å; N291-R293 VanDerWaalsContact O-N 3.13Å; N291-F294 HydrophobicContact CB-CE1 3.93Å; N291-F294 HydrophobicContact CB-CZ 3.85Å; N291-F294 PolarHBondContact O-N 3.45Å; N291-T295 VanDerWaalsContact C-OG1 3.32Å; N291-T295 HydrophobicContact CB-CG2 4.15Å; N291-T295 VanDerWaalsContact O-CB 3.29Å; N291-T295 WeakPolarHBondContact O-CB 3.5Å; N291-T295 WeakPolarHBondContact O-CG2 3.45Å; N291-T295 PolarHBondContact O-N 2.68Å; N291-T295 PolarHBondContact O-OG1 2.98Å
292E96.3Very high89.6Confident4 Ų435 Ų352%0.01917%0.174CC..Hα-helixtrans-56-29.7174.4-59.682.5-178.300112.2L192 A195 R199 L289 N290 F294 T295 V296L192-E292 HydrophobicContact CD1-CB 3.92Å; A195-E292 HydrophobicContact CB-CG 3.79Å; R199-E292 WeakPolarHBondContact CD-OE1 3.39Å; R199-E292 IonicContact CZ-OE1 2.91Å; R199-E292 IonicContact NE-OE1 2.87Å; R199-E292 IonicContact NH1-OE1 3.71Å; R199-E292 PolarHBondContact NH1-OE1 3.45Å; L289-E292 HydrophobicContact CD2-CB 4.3Å; N290-E292 PolarHBondContact N-OE2 3.25Å; N290-E292 PolarHBondContact O-N 3.33Å; E292-F294 VanDerWaalsContact C-N 3.29Å; E292-F294 PolarHBondContact O-N 3.01Å; E292-T295 WeakPolarHBondContact CA-OG1 3.37Å; E292-V296 HydrophobicContact CB-CG2 4.42Å; E292-V296 VanDerWaalsContact O-CB 3.3Å; E292-V296 WeakPolarHBondContact O-CB 3.25Å; E292-V296 VanDerWaalsContact O-CG2 3.3Å; E292-V296 WeakPolarHBondContact O-CG2 2.96Å; E292-V296 PolarHBondContact O-N 3.27Å
293R97.4Very high91.6Very high35 Ų3532.8 Ų32.813%0.13216%0.164CC..Hα-helixtrans-61.7-35.7-176.7-63.5-179.265.5-141.6-9.6112.9V217 C218 Y219 I240 R242 L289 N290 N291 P297V217-R293 HydrophobicContact CB-CG 4.43Å; V217-R293 HydrophobicContact CG2-CG 4.4Å; V217-R293 VanDerWaalsContact O-CZ 3.3Å; V217-R293 PolarHBondContact O-NE 3.21Å; V217-R293 PolarHBondContact O-NH2 3.06Å; C218-R293 CarbonylContact C-O 3.56Å; C218-R293 WeakPolarHBondContact CA-O 3.22Å; C218-R293 VanDerWaalsContact CB-O 3.31Å; C218-R293 WeakPolarHBondContact CB-O 3.3Å; Y219-R293 HydrophobicContact CD1-CB 4.13Å; Y219-R293 HydrophobicContact CE1-CB 3.84Å; Y219-R293 PolarHBondContact N-O 3.2Å; I240-R293 WeakPolarHBondContact O-CD 3.4Å; I240-R293 PolarHBondContact O-NH1 2.95Å; R242-R293 VanDerWaalsContact CG-NH1 3.28Å; L289-R293 HydrophobicContact CB-CG 3.89Å; N290-R293 WeakPolarHBondContact O-CB 3.26Å; N290-R293 WeakPolarHBondContact O-CG 3.28Å; N290-R293 PolarHBondContact O-N 2.72Å; N291-R293 PolarHBondContact O-N 2.94Å; N291-R293 VanDerWaalsContact O-N 3.13Å; R293-P297 WeakPolarHBondContact O-CD 3.16Å
294F97.7Very high93.5Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-112.1-29178.864.9-91.8000113.7Y219 F224 D227 M228 I240 N291 E292 V296 E298Y219-F294 HydrophobicContact CD2-CB 4.46Å; Y219-F294 HydrophobicContact CE1-CB 4.24Å; Y219-F294 HydrophobicContact CE2-CB 3.94Å; Y219-F294 WeakPolarHBondContact O-CA 3.38Å; Y219-F294 WeakPolarHBondContact OH-CD1 3.34Å; F224-F294 AromaticContact CD2-CD2 3.85Å; F224-F294 HydrophobicContact CD2-CD2 3.85Å; F224-F294 AromaticContact CD2-CE2 3.98Å; F224-F294 HydrophobicContact CD2-CE2 3.98Å; F224-F294 AromaticContact CE2-CD2 3.89Å; F224-F294 HydrophobicContact CE2-CD2 3.89Å; F224-F294 AromaticContact CE2-CE2 3.83Å; F224-F294 HydrophobicContact CE2-CE2 3.83Å; F224-F294 HydrophobicContact CZ-CE2 4.34Å; D227-F294 HydrophobicContact CB-CD1 4.12Å; D227-F294 HydrophobicContact CB-CD2 4.2Å; D227-F294 HydrophobicContact CB-CE1 3.93Å; D227-F294 HydrophobicContact CB-CE2 4.02Å; D227-F294 HydrophobicContact CB-CG 4.27Å; D227-F294 HydrophobicContact CB-CZ 3.9Å; M228-F294 HydrophobicContact CB-CZ 4.38Å; M228-F294 HydrophobicContact SD-CE2 4.41Å; M228-F294 HydrophobicContact SD-CZ 4.06Å; I240-F294 HydrophobicContact CD1-CD1 4.33Å; I240-F294 HydrophobicContact CD1-CE1 3.91Å; I240-F294 HydrophobicContact CG2-CD1 4.04Å; I240-F294 HydrophobicContact CG2-CE1 4Å; N291-F294 HydrophobicContact CB-CE1 3.93Å; N291-F294 HydrophobicContact CB-CZ 3.85Å; N291-F294 PolarHBondContact O-N 3.45Å; E292-F294 VanDerWaalsContact C-N 3.29Å; E292-F294 PolarHBondContact O-N 3.01Å; F294-V296 VanDerWaalsContact C-N 3.32Å; F294-V296 PolarHBondContact O-N 3.44Å; F294-E298 WeakPolarHBondContact O-CB 3.39Å; F294-E298 PolarHBondContact O-N 3.06Å; F294-E298 VanDerWaalsContact O-N 3.08Å
295T97.2Very high94.8Very high35 Ų3531.9 Ų31.922%0.21516%0.156CC..Hα-helixtrans-70-27.6178580000113.1F224 N291 E292F224-T295 HydrophobicContact CE2-CG2 3.87Å; F224-T295 HydrophobicContact CZ-CG2 4.02Å; N291-T295 VanDerWaalsContact C-OG1 3.32Å; N291-T295 HydrophobicContact CB-CG2 4.15Å; N291-T295 VanDerWaalsContact O-CB 3.29Å; N291-T295 WeakPolarHBondContact O-CB 3.5Å; N291-T295 WeakPolarHBondContact O-CG2 3.45Å; N291-T295 PolarHBondContact O-N 2.68Å; N291-T295 PolarHBondContact O-OG1 2.98Å; E292-T295 WeakPolarHBondContact CA-OG1 3.37Å
296V97.5Very high95.3Very high2 Ų229.5 Ų29.51%0.01215%0.152CC..THydrogen-bonded Turntrans-70-55.1175.5170.60000110.7L188 R191 L192 E292 F294 E298 L299L188-V296 HydrophobicContact CB-CG1 3.91Å; L188-V296 HydrophobicContact CD2-CG1 4.45Å; L188-V296 WeakPolarHBondContact CD2-O 3.39Å; L188-V296 VanDerWaalsContact O-CG1 3.23Å; L188-V296 WeakPolarHBondContact O-CG1 3.42Å; R191-V296 HydrophobicContact CB-CG1 4.33Å; R191-V296 HydrophobicContact CG-CG2 4.04Å; L192-V296 HydrophobicContact CB-CG1 4.33Å; L192-V296 HydrophobicContact CB-CG2 4.26Å; L192-V296 HydrophobicContact CD1-CG2 4.25Å; E292-V296 HydrophobicContact CB-CG2 4.42Å; E292-V296 VanDerWaalsContact O-CB 3.3Å; E292-V296 WeakPolarHBondContact O-CB 3.25Å; E292-V296 VanDerWaalsContact O-CG2 3.3Å; E292-V296 WeakPolarHBondContact O-CG2 2.96Å; E292-V296 PolarHBondContact O-N 3.27Å; F294-V296 VanDerWaalsContact C-N 3.32Å; F294-V296 PolarHBondContact O-N 3.44Å; V296-E298 PolarHBondContact O-N 3.37Å; V296-L299 WeakPolarHBondContact O-CB 3.33Å; V296-L299 WeakPolarHBondContact O-CG 3.41Å; V296-L299 PolarHBondContact O-N 3.21Å
297P97.6Very high95.4Very high0 Ų030.8 Ų30.80%017%0.171CC..G310 helixtrans-59.1-28.1173.9-27.537.1000114.7C218 Y219 V220 R293 L299 I300 F346C218-P297 HydrophobicContact CB-CG 3.69Å; Y219-P297 WeakPolarHBondContact O-CG 3.42Å; V220-P297 HydrophobicContact CG2-CB 3.88Å; R293-P297 WeakPolarHBondContact O-CD 3.16Å; P297-L299 PolarHBondContact O-N 2.98Å; P297-I300 WeakPolarHBondContact O-CB 3.29Å; P297-I300 PolarHBondContact O-N 2.95Å; P297-F346 HydrophobicContact CB-CD2 4.34Å; P297-F346 HydrophobicContact CB-CE2 4.42Å; P297-F346 HydrophobicContact CG-CD2 4.46Å; P297-F346 HydrophobicContact CG-CE2 4.32Å; P297-F346 HydrophobicContact CG-CZ 4.36Å
298E97.3Very high95.4Very high5 Ų534.8 Ų34.82%0.02319%0.186CC..G310 helixtrans-56.2-24.4177.3-166.363-160.800112.7F224 F294 V296 I300 F301 H302 R352F224-E298 HydrophobicContact CD2-CB 4.33Å; F224-E298 HydrophobicContact CD2-CG 3.8Å; F224-E298 HydrophobicContact CE2-CB 4.12Å; F224-E298 HydrophobicContact CE2-CG 3.8Å; F294-E298 WeakPolarHBondContact O-CB 3.39Å; F294-E298 PolarHBondContact O-N 3.06Å; F294-E298 VanDerWaalsContact O-N 3.08Å; V296-E298 PolarHBondContact O-N 3.37Å; E298-I300 PolarHBondContact O-N 3.34Å; E298-I300 VanDerWaalsContact O-N 3.09Å; E298-F301 CarbonylContact O-C 3.6Å; E298-F301 WeakPolarHBondContact O-CA 3.39Å; E298-F301 PolarHBondContact O-N 3.25Å; E298-H302 PolarHBondContact O-N 2.59Å; E298-H302 IonicContact OE1-CE1 2.92Å; E298-H302 PolarHBondContact OE1-CE1 3.06Å; E298-H302 IonicContact OE1-ND1 2.76Å; E298-H302 PolarHBondContact OE1-ND1 3.24Å; E298-R352 IonicContact OE1-NH2 3.45Å; E298-R352 PolarHBondContact OE1-NH2 3.41Å
299L97Very high95.5Very high5 Ų537.3 Ų37.33%0.02620%0.204CC..G310 helixtrans-59.7-20.7175.6-64-175.3000114.4V183 L188 R191 V296 P297 F301 P303 D305 V306V183-L299 HydrophobicContact CG1-CB 4.48Å; L188-L299 HydrophobicContact CD2-CB 3.91Å; L188-L299 HydrophobicContact CD2-CD1 4.4Å; R191-L299 HydrophobicContact CB-CD1 3.89Å; R191-L299 HydrophobicContact CG-CD1 3.63Å; V296-L299 WeakPolarHBondContact O-CB 3.33Å; V296-L299 WeakPolarHBondContact O-CG 3.41Å; V296-L299 PolarHBondContact O-N 3.21Å; P297-L299 PolarHBondContact O-N 2.98Å; L299-F301 PolarHBondContact O-N 3.23Å; L299-P303 WeakPolarHBondContact O-CA 3.46Å; L299-D305 HydrophobicContact CD2-CB 4.24Å; L299-V306 HydrophobicContact CD1-CG1 4.06Å; L299-V306 HydrophobicContact CD1-CG2 4Å; L299-V306 HydrophobicContact CD2-CB 4.31Å; L299-V306 HydrophobicContact CD2-CG1 3.58Å; L299-V306 HydrophobicContact CD2-CG2 3.84Å; L299-V306 HydrophobicContact CG-CG1 4.49Å
300I97.4Very high95.5Very high3 Ų339.6 Ų39.62%0.01521%0.214CC..G310 helixtrans-65.7-31.7171.6-65.1179.9000110.7V183 L188 P297 E298 L313 N343 F349V183-I300 HydrophobicContact CG1-CG1 3.95Å; L188-I300 HydrophobicContact CD1-CD1 3.86Å; L188-I300 HydrophobicContact CD1-CG1 4.09Å; L188-I300 HydrophobicContact CD2-CG1 4.33Å; P297-I300 WeakPolarHBondContact O-CB 3.29Å; P297-I300 PolarHBondContact O-N 2.95Å; E298-I300 PolarHBondContact O-N 3.34Å; E298-I300 VanDerWaalsContact O-N 3.09Å; I300-L313 HydrophobicContact CG2-CB 3.74Å; I300-L313 HydrophobicContact CG2-CD2 3.61Å; I300-L313 HydrophobicContact CG2-CG 4.33Å; I300-L313 WeakPolarHBondContact O-CB 3.3Å; I300-L313 PolarHBondContact O-N 2.92Å; I300-N343 HydrophobicContact CD1-CB 3.8Å; I300-F349 HydrophobicContact CD1-CE2 3.79Å; I300-F349 HydrophobicContact CG2-CE2 4.26Å
301F97.5Very high95.6Very high4 Ų440 Ų402%0.01822%0.215CC..THydrogen-bonded Turntrans-99.8-27.4-177-55.3-83.9000112.5V220 E298 L299 G312 L313 T314 F349 R352 L353V220-F301 HydrophobicContact CB-CE2 4.45Å; V220-F301 HydrophobicContact CG1-CD2 4.41Å; V220-F301 HydrophobicContact CG1-CE2 3.52Å; V220-F301 HydrophobicContact CG1-CZ 3.93Å; V220-F301 HydrophobicContact CG2-CE2 4.01Å; E298-F301 CarbonylContact O-C 3.6Å; E298-F301 WeakPolarHBondContact O-CA 3.39Å; E298-F301 PolarHBondContact O-N 3.25Å; L299-F301 PolarHBondContact O-N 3.23Å; F301-G312 WeakPolarHBondContact O-CA 3.38Å; F301-L313 HydrophobicContact CD1-CB 4.25Å; F301-L313 HydrophobicContact CE1-CB 4.36Å; F301-L313 HydrophobicContact CE1-CD2 4.34Å; F301-T314 HydrophobicContact CD1-CG2 3.79Å; F301-T314 HydrophobicContact CE1-CG2 3.94Å; F301-F349 HydrophobicContact CZ-CE2 4.4Å; F301-R352 HydrophobicContact CD1-CG 4.11Å; F301-R352 HydrophobicContact CD2-CG 4.45Å; F301-R352 HydrophobicContact CE1-CB 4.43Å; F301-R352 HydrophobicContact CE1-CG 3.59Å; F301-R352 HydrophobicContact CE2-CG 3.99Å; F301-R352 HydrophobicContact CZ-CB 4.12Å; F301-R352 HydrophobicContact CZ-CG 3.52Å; F301-L353 HydrophobicContact CE1-CD2 4.06Å
302H96.6Very high95.6Very high79 Ų7938.5 Ų38.537%0.36621%0.208SC..  trans-133.267.6179.7-59.799.1000110.9E298 S304 D305E298-H302 PolarHBondContact O-N 2.59Å; E298-H302 IonicContact OE1-CE1 2.92Å; E298-H302 PolarHBondContact OE1-CE1 3.06Å; E298-H302 IonicContact OE1-ND1 2.76Å; E298-H302 PolarHBondContact OE1-ND1 3.24Å; H302-S304 PolarHBondContact O-N 2.78Å; H302-D305 WeakPolarHBondContact O-CB 3.38Å; H302-D305 PolarHBondContact O-N 2.98Å
303P96.1Very high95.7Very high3 Ų338.3 Ų38.32%0.01921%0.207CC..G310 helixtrans-64.6-24.5-178.628.2-37.7000113.1V183 L299 D305 V306 Y308 E310V183-P303 HydrophobicContact CG2-CB 3.68Å; L299-P303 WeakPolarHBondContact O-CA 3.46Å; P303-D305 PolarHBondContact O-N 3.33Å; P303-V306 PolarHBondContact O-N 2.77Å; P303-Y308 CarbonylContact C-O 3.46Å; P303-Y308 WeakPolarHBondContact O-CB 3.25Å; P303-Y308 PolarHBondContact O-N 3.11Å; P303-E310 HydrophobicContact CB-CG 3.98Å; P303-E310 HydrophobicContact CG-CG 3.8Å; P303-E310 VanDerWaalsContact CG-O 3.31Å; P303-E310 WeakPolarHBondContact CG-O 3.47Å
304S94.7Very high95.6Very high62 Ų6239.1 Ų39.143%0.43422%0.215SC..G310 helixtrans-62-25.9177.452.80000113.7H302 V306 G307 Y308H302-S304 PolarHBondContact O-N 2.78Å; S304-V306 PolarHBondContact O-N 2.81Å; S304-V306 VanDerWaalsContact O-N 3.1Å; S304-G307 PolarHBondContact O-N 2.79Å; S304-Y308 VanDerWaalsContact CA-O 3.24Å; S304-Y308 WeakPolarHBondContact CA-O 3.49Å; S304-Y308 PolarHBondContact N-O 2.84Å
305D91.6Very high95.6Very high112 Ų11244.7 Ų44.760%0.59924%0.242SC*.G310 helixtrans-61.2-21.2179.2-73-10.5000113.4L299 H302 P303L299-D305 HydrophobicContact CD2-CB 4.24Å; H302-D305 WeakPolarHBondContact O-CB 3.38Å; H302-D305 PolarHBondContact O-N 2.98Å; P303-D305 PolarHBondContact O-N 3.33Å
306V89.3Confident95.6Very high56 Ų5643 Ų4334%0.33923%0.232SC..G310 helixtrans-119.620.2176-60.80000112.5L299 P303 S304 Y308L299-V306 HydrophobicContact CD1-CG1 4.06Å; L299-V306 HydrophobicContact CD1-CG2 4Å; L299-V306 HydrophobicContact CD2-CB 4.31Å; L299-V306 HydrophobicContact CD2-CG1 3.58Å; L299-V306 HydrophobicContact CD2-CG2 3.84Å; L299-V306 HydrophobicContact CG-CG1 4.49Å; P303-V306 PolarHBondContact O-N 2.77Å; S304-V306 PolarHBondContact O-N 2.81Å; S304-V306 VanDerWaalsContact O-N 3.1Å; V306-Y308 HydrophobicContact CG2-CD2 3.51Å; V306-Y308 HydrophobicContact CG2-CE2 3.65Å
307G91.6Very high95.6Very high54 Ų5443.6 Ų43.656%0.55723%0.234SC*.THydrogen-bonded Turntrans90.43.8170.900000115.9S304 Q309S304-G307 PolarHBondContact O-N 2.79Å; G307-Q309 PolarHBondContact O-N 2.85Å
308Y92.9Very high95.5Very high84 Ų8449.4 Ų49.433%0.32926%0.261SS..  trans-78110.5170.9-64.1-78000109.7T182 V183 I187 P303 S304 V306 E310T182-Y308 HydrophobicContact CG2-CD1 4.45Å; T182-Y308 HydrophobicContact CG2-CE1 4.28Å; V183-Y308 HydrophobicContact CG2-CD2 4.47Å; I187-Y308 HydrophobicContact CD1-CE1 4.29Å; I187-Y308 HydrophobicContact CD1-CE2 4.38Å; I187-Y308 HydrophobicContact CG2-CE2 3.94Å; P303-Y308 CarbonylContact C-O 3.46Å; P303-Y308 WeakPolarHBondContact O-CB 3.25Å; P303-Y308 PolarHBondContact O-N 3.11Å; S304-Y308 VanDerWaalsContact CA-O 3.24Å; S304-Y308 WeakPolarHBondContact CA-O 3.49Å; S304-Y308 PolarHBondContact N-O 2.84Å; V306-Y308 HydrophobicContact CG2-CD2 3.51Å; V306-Y308 HydrophobicContact CG2-CE2 3.65Å; Y308-E310 PolarHBondContact O-N 2.96Å
309Q94.2Very high95.5Very high173 Ų17353.5 Ų53.581%0.80828%0.277SS*.  trans-80.362.1177.8-59.2-60.4-40.400110.8G307G307-Q309 PolarHBondContact O-N 2.85Å
310E95Very high95.5Very high48 Ų4853.2 Ų53.222%0.22428%0.276CS..SBendtrans-134.8166.317566.3-176.5-165.700110.1T182 V183 P303 Y308T182-E310 WeakPolarHBondContact CA-OE1 3.07Å; T182-E310 VanDerWaalsContact CB-OE1 3.23Å; T182-E310 WeakPolarHBondContact CB-OE1 3.29Å; T182-E310 WeakPolarHBondContact CB-OE2 3.26Å; T182-E310 VanDerWaalsContact N-CD 3.26Å; T182-E310 PolarHBondContact N-OE1 3.17Å; T182-E310 PolarHBondContact N-OE2 3.35Å; T182-E310 PolarHBondContact OG1-OE2 3.2Å; V183-E310 PolarHBondContact N-OE1 3.01Å; P303-E310 HydrophobicContact CB-CG 3.98Å; P303-E310 HydrophobicContact CG-CG 3.8Å; P303-E310 VanDerWaalsContact CG-O 3.31Å; P303-E310 WeakPolarHBondContact CG-O 3.47Å; Y308-E310 PolarHBondContact O-N 2.96Å
311M96.4Very high95.4Very high44 Ų4453.3 Ų53.322%0.21728%0.276CS..  trans-75.1152.5-177.887.2-137.9-42.500111I179 L181 E315 A316 Y319I179-M311 HydrophobicContact CG2-SD 4.08Å; L181-M311 HydrophobicContact CD2-CG 3.8Å; L181-M311 HydrophobicContact CD2-SD 4Å; M311-E315 WeakPolarHBondContact CA-OE2 3.46Å; M311-E315 HydrophobicContact CB-CB 4.33Å; M311-E315 HydrophobicContact CB-CG 4.11Å; M311-A316 HydrophobicContact CE-CB 4.41Å; M311-A316 VanDerWaalsContact CG-CA 3.47Å; M311-A316 HydrophobicContact CG-CB 3.3Å; M311-A316 WeakPolarHBondContact SD-CA 3.15Å; M311-A316 HydrophobicContact SD-CB 3.33Å; M311-A316 WeakPolarHBondContact SD-CB 3.44Å; M311-Y319 HydrophobicContact CE-CD1 3.41Å; M311-Y319 VanDerWaalsContact CE-CD1 3.41Å; M311-Y319 HydrophobicContact CE-CE1 4.14Å; M311-Y319 HydrophobicContact CE-CG 3.71Å
312G97.2Very high95.2Very high1 Ų154.8 Ų54.81%0.0129%0.287CS..  trans-66162.216900000113.1F301 T314 E315 A316F301-G312 WeakPolarHBondContact O-CA 3.38Å; G312-T314 PolarHBondContact O-N 3.35Å; G312-E315 PolarHBondContact N-OE2 2.97Å; G312-E315 PolarHBondContact O-N 3.34Å; G312-A316 WeakPolarHBondContact O-CB 3.29Å; G312-A316 PolarHBondContact O-N 2.97Å
313L97.6Very high95.1Very high0 Ų057.4 Ų57.40%030%0.299CS..Hα-helixtrans-56.5-48176.3178.455.7000113.6I156 T163 I165 L181 I300 F301 A316 I317 F349 L353I156-L313 HydrophobicContact CG2-CD1 3.98Å; I156-L313 HydrophobicContact CG2-CD2 4.11Å; T163-L313 HydrophobicContact CG2-CD1 3.79Å; T163-L313 HydrophobicContact CG2-CD2 4.25Å; I165-L313 HydrophobicContact CD1-CD1 3.94Å; I165-L313 HydrophobicContact CG1-CD1 3.91Å; L181-L313 HydrophobicContact CD1-CB 4.1Å; L181-L313 HydrophobicContact CD1-CD1 4.15Å; I300-L313 HydrophobicContact CG2-CB 3.74Å; I300-L313 HydrophobicContact CG2-CD2 3.61Å; I300-L313 HydrophobicContact CG2-CG 4.33Å; I300-L313 WeakPolarHBondContact O-CB 3.3Å; I300-L313 PolarHBondContact O-N 2.92Å; F301-L313 HydrophobicContact CD1-CB 4.25Å; F301-L313 HydrophobicContact CE1-CB 4.36Å; F301-L313 HydrophobicContact CE1-CD2 4.34Å; L313-A316 WeakPolarHBondContact O-CB 3Å; L313-A316 PolarHBondContact O-N 2.9Å; L313-I317 HydrophobicContact CD1-CD1 3.98Å; L313-I317 HydrophobicContact CD1-CG1 4.33Å; L313-I317 HydrophobicContact CG-CD1 4.1Å; L313-I317 WeakPolarHBondContact O-CD1 3.41Å; L313-I317 VanDerWaalsContact O-CG1 3.25Å; L313-I317 WeakPolarHBondContact O-CG1 3.39Å; L313-I317 PolarHBondContact O-N 3.47Å; L313-F349 HydrophobicContact CD2-CE1 4.3Å; L313-F349 HydrophobicContact CD2-CE2 4.37Å; L313-F349 HydrophobicContact CD2-CZ 3.61Å; L313-L353 HydrophobicContact CD2-CD2 3.76Å; L313-L353 HydrophobicContact CG-CD2 3.88Å
314T96.1Very high95.1Very high51 Ų5162 Ų6231%0.31332%0.316SS..Hα-helixtrans-66.8-41.9178.4430000111.9F301 G312 A316 I317 H318 L353F301-T314 HydrophobicContact CD1-CG2 3.79Å; F301-T314 HydrophobicContact CE1-CG2 3.94Å; G312-T314 PolarHBondContact O-N 3.35Å; T314-A316 VanDerWaalsContact C-N 3.31Å; T314-A316 PolarHBondContact O-N 2.98Å; T314-I317 PolarHBondContact O-N 3.44Å; T314-H318 WeakPolarHBondContact O-CB 3.47Å; T314-H318 PolarHBondContact O-N 3.4Å; T314-L353 HydrophobicContact CG2-CD2 4.17Å
315E96.8Very high95.2Very high118 Ų11859.3 Ų59.355%0.55130%0.297SS*.Hα-helixtrans-61-39.9173.9-172.8-175.3-17300111.7M311 G312 H318 Y319M311-E315 WeakPolarHBondContact CA-OE2 3.46Å; M311-E315 HydrophobicContact CB-CB 4.33Å; M311-E315 HydrophobicContact CB-CG 4.11Å; G312-E315 PolarHBondContact N-OE2 2.97Å; G312-E315 PolarHBondContact O-N 3.34Å; E315-H318 PolarHBondContact O-N 3.5Å; E315-Y319 WeakPolarHBondContact O-CB 3.48Å; E315-Y319 PolarHBondContact O-N 3.49Å
316A97.6Very high95.3Very high0 Ų056.9 Ų56.90%029%0.287CS..Hα-helixtrans-64.2-44.6177.900000112I165 I179 L181 M311 G312 L313 T314 H318 L320I165-A316 HydrophobicContact CD1-CB 3.24Å; I179-A316 HydrophobicContact CG2-CB 4.41Å; L181-A316 HydrophobicContact CD1-CB 4.07Å; L181-A316 HydrophobicContact CD2-CB 4.08Å; L181-A316 HydrophobicContact CG-CB 4.5Å; M311-A316 HydrophobicContact CE-CB 4.41Å; M311-A316 VanDerWaalsContact CG-CA 3.47Å; M311-A316 HydrophobicContact CG-CB 3.3Å; M311-A316 WeakPolarHBondContact SD-CA 3.15Å; M311-A316 HydrophobicContact SD-CB 3.33Å; M311-A316 WeakPolarHBondContact SD-CB 3.44Å; G312-A316 WeakPolarHBondContact O-CB 3.29Å; G312-A316 PolarHBondContact O-N 2.97Å; L313-A316 WeakPolarHBondContact O-CB 3Å; L313-A316 PolarHBondContact O-N 2.9Å; T314-A316 VanDerWaalsContact C-N 3.31Å; T314-A316 PolarHBondContact O-N 2.98Å; A316-H318 VanDerWaalsContact C-N 3.34Å; A316-L320 VanDerWaalsContact O-CB 3.31Å; A316-L320 WeakPolarHBondContact O-CB 3.25Å; A316-L320 PolarHBondContact O-N 2.96Å
317I96.6Very high95.5Very high13 Ų1358 Ų587%0.06730%0.303CS..Hα-helixtrans-62.9-46175.5-66.8161.3000109.2I156 I165 L313 T314 Y319 L320 M321 F337 L353I156-I317 HydrophobicContact CD1-CD1 3.48Å; I156-I317 VanDerWaalsContact CD1-CD1 3.48Å; I156-I317 HydrophobicContact CD1-CG1 4.34Å; I156-I317 HydrophobicContact CG1-CD1 4.21Å; I165-I317 HydrophobicContact CD1-CG1 3.83Å; I165-I317 HydrophobicContact CG1-CG1 4.26Å; I165-I317 HydrophobicContact CG2-CG1 4.31Å; L313-I317 HydrophobicContact CD1-CD1 3.98Å; L313-I317 HydrophobicContact CD1-CG1 4.33Å; L313-I317 HydrophobicContact CG-CD1 4.1Å; L313-I317 WeakPolarHBondContact O-CD1 3.41Å; L313-I317 VanDerWaalsContact O-CG1 3.25Å; L313-I317 WeakPolarHBondContact O-CG1 3.39Å; L313-I317 PolarHBondContact O-N 3.47Å; T314-I317 PolarHBondContact O-N 3.44Å; I317-Y319 PolarHBondContact O-N 3.15Å; I317-L320 WeakPolarHBondContact O-CB 3.19Å; I317-L320 PolarHBondContact O-N 2.83Å; I317-M321 HydrophobicContact CG2-CG 4.29Å; I317-M321 WeakPolarHBondContact O-CB 3.08Å; I317-M321 WeakPolarHBondContact O-CG 3.29Å; I317-M321 PolarHBondContact O-N 2.87Å; I317-F337 HydrophobicContact CG2-CE1 3.77Å; I317-F337 HydrophobicContact CG2-CZ 3.9Å; I317-L353 HydrophobicContact CD1-CD2 3.77Å
318H96Very high95.5Very high122 Ų12259.4 Ų59.457%0.56531%0.309SS*.Hα-helixtrans-58.3-51.6177.7-17875.1000111.6T314 E315 A316 L320 M321 S322T314-H318 WeakPolarHBondContact O-CB 3.47Å; T314-H318 PolarHBondContact O-N 3.4Å; E315-H318 PolarHBondContact O-N 3.5Å; A316-H318 VanDerWaalsContact C-N 3.34Å; H318-L320 VanDerWaalsContact C-N 3.32Å; H318-L320 PolarHBondContact O-N 2.82Å; H318-M321 PolarHBondContact O-N 2.86Å; H318-M321 VanDerWaalsContact O-N 3.09Å; H318-S322 WeakPolarHBondContact O-CB 3.41Å; H318-S322 PolarHBondContact O-N 2.71Å; H318-S322 PolarHBondContact O-OG 3.01Å
319Y97.1Very high95.5Very high91 Ų9155.8 Ų55.836%0.35730%0.296SS..Hα-helixtrans-57.9-42.3177.9170.2-109.6000112.7I179 M311 E315 I317 M321 E323 R324I179-Y319 HydrophobicContact CD1-CD1 3.96Å; I179-Y319 HydrophobicContact CD1-CE1 4.42Å; M311-Y319 HydrophobicContact CE-CD1 3.41Å; M311-Y319 VanDerWaalsContact CE-CD1 3.41Å; M311-Y319 HydrophobicContact CE-CE1 4.14Å; M311-Y319 HydrophobicContact CE-CG 3.71Å; E315-Y319 WeakPolarHBondContact O-CB 3.48Å; E315-Y319 PolarHBondContact O-N 3.49Å; I317-Y319 PolarHBondContact O-N 3.15Å; Y319-M321 VanDerWaalsContact C-N 3.34Å; Y319-M321 PolarHBondContact O-N 3.37Å; Y319-E323 HydrophobicContact CD2-CB 3.89Å; Y319-E323 HydrophobicContact CD2-CG 3.69Å; Y319-E323 HydrophobicContact CE2-CB 3.78Å; Y319-E323 HydrophobicContact CE2-CG 3.89Å; Y319-E323 WeakPolarHBondContact O-CB 3.2Å; Y319-E323 PolarHBondContact O-N 3.03Å; Y319-R324 HydrophobicContact CD1-CG 4.17Å; Y319-R324 HydrophobicContact CE1-CG 3.67Å; Y319-R324 HydrophobicContact CE2-CG 4.42Å; Y319-R324 PolarHBondContact O-N 3.12Å
320L97.1Very high95.5Very high0 Ų050.2 Ų50.20%027%0.269CS..Iπ-helixtrans-59.1-46.7174.9174.264.8000111.5I154 I165 P167 F177 I179 A316 I317 H318 R324 L325I154-L320 HydrophobicContact CD1-CD2 4Å; I165-L320 HydrophobicContact CB-CD2 4.49Å; I165-L320 HydrophobicContact CG2-CD2 3.43Å; I165-L320 VanDerWaalsContact CG2-CD2 3.43Å; P167-L320 HydrophobicContact CG-CD1 3.9Å; P167-L320 HydrophobicContact CG-CD2 3.7Å; P167-L320 HydrophobicContact CG-CG 4.32Å; F177-L320 HydrophobicContact CB-CD1 4.06Å; F177-L320 VanDerWaalsContact O-CD1 3.25Å; F177-L320 WeakPolarHBondContact O-CD1 3.25Å; I179-L320 HydrophobicContact CD1-CB 3.8Å; I179-L320 HydrophobicContact CD1-CD1 4.32Å; A316-L320 VanDerWaalsContact O-CB 3.31Å; A316-L320 WeakPolarHBondContact O-CB 3.25Å; A316-L320 PolarHBondContact O-N 2.96Å; I317-L320 WeakPolarHBondContact O-CB 3.19Å; I317-L320 PolarHBondContact O-N 2.83Å; H318-L320 VanDerWaalsContact C-N 3.32Å; H318-L320 PolarHBondContact O-N 2.82Å; L320-R324 HydrophobicContact CD1-CB 4.07Å; L320-R324 PolarHBondContact O-N 2.91Å; L320-L325 HydrophobicContact CD1-CD1 4.29Å; L320-L325 HydrophobicContact CD1-CD2 4.23Å; L320-L325 HydrophobicContact CD1-CG 3.83Å; L320-L325 HydrophobicContact CD2-CD1 4.49Å; L320-L325 HydrophobicContact CG-CD1 4Å; L320-L325 HydrophobicContact CG-CG 4.04Å; L320-L325 PolarHBondContact O-N 2.96Å
321M94.7Very high95.3Very high5 Ų552.2 Ų52.23%0.02529%0.286CS..Iπ-helixtrans-74.2-36.5-175.5-67.4-60.8-78.800112.8I154 I317 H318 Y319 L325 K330 A333 W334I154-M321 HydrophobicContact CD1-CE 4.35Å; I154-M321 HydrophobicContact CD1-CG 4.26Å; I154-M321 HydrophobicContact CD1-SD 3.26Å; I154-M321 WeakPolarHBondContact CD1-SD 3.49Å; I317-M321 HydrophobicContact CG2-CG 4.29Å; I317-M321 WeakPolarHBondContact O-CB 3.08Å; I317-M321 WeakPolarHBondContact O-CG 3.29Å; I317-M321 PolarHBondContact O-N 2.87Å; H318-M321 PolarHBondContact O-N 2.86Å; H318-M321 VanDerWaalsContact O-N 3.09Å; Y319-M321 VanDerWaalsContact C-N 3.34Å; Y319-M321 PolarHBondContact O-N 3.37Å; M321-L325 HydrophobicContact SD-CD1 3.58Å; M321-L325 VanDerWaalsContact SD-CD1 3.58Å; M321-K330 WeakPolarHBondContact CE-O 3.47Å; M321-K330 WeakPolarHBondContact O-CD 3.23Å; M321-K330 WeakPolarHBondContact O-CE 3.44Å; M321-K330 PolarHBondContact O-NZ 3.46Å; M321-A333 HydrophobicContact CE-CB 3.83Å; M321-A333 HydrophobicContact SD-CB 3.96Å; M321-W334 HydrophobicContact CB-CZ2 4.09Å; M321-W334 HydrophobicContact CE-CB 3.95Å; M321-W334 HydrophobicContact CE-CD2 3.5Å; M321-W334 VanDerWaalsContact CE-CD2 3.5Å; M321-W334 VanDerWaalsContact CE-CE2 3.46Å; M321-W334 HydrophobicContact CE-CE3 4.38Å; M321-W334 HydrophobicContact CE-CG 3.26Å; M321-W334 HydrophobicContact CE-CZ2 4.26Å; M321-W334 VanDerWaalsContact CE-NE1 3.28Å; M321-W334 HydrophobicContact CG-CZ2 4.04Å
322S94Very high95Very high35 Ų3550.5 Ų50.525%0.24528%0.279CS..Iπ-helixtrans-84.1-48.1-177.472.60000111.9H318 K330H318-S322 WeakPolarHBondContact O-CB 3.41Å; H318-S322 PolarHBondContact O-N 2.71Å; H318-S322 PolarHBondContact O-OG 3.01Å; S322-K330 PolarHBondContact O-NZ 3.39Å
323E94.8Very high94.7Very high134 Ų13450.5 Ų50.563%0.62628%0.279SS*.Iπ-helixtrans-103.8-34.7-167-55.5-43.1125.200114Y319Y319-E323 HydrophobicContact CD2-CB 3.89Å; Y319-E323 HydrophobicContact CD2-CG 3.69Å; Y319-E323 HydrophobicContact CE2-CB 3.78Å; Y319-E323 HydrophobicContact CE2-CG 3.89Å; Y319-E323 WeakPolarHBondContact O-CB 3.2Å; Y319-E323 PolarHBondContact O-N 3.03Å
324R96.3Very high94.3Very high98 Ų9857.5 Ų57.537%0.3731%0.306SS..Iπ-helixtrans-96.5-49-166.6-65.8-73.6-69.2-99.2-4.4112.8D176 F177 Y319 L320D176-R324 PolarHBondContact O-NH2 2.87Å; F177-R324 HydrophobicContact CD1-CB 4.34Å; F177-R324 WeakPolarHBondContact CD1-O 3.37Å; F177-R324 WeakPolarHBondContact CE1-O 3.48Å; Y319-R324 HydrophobicContact CD1-CG 4.17Å; Y319-R324 HydrophobicContact CE1-CG 3.67Å; Y319-R324 HydrophobicContact CE2-CG 4.42Å; Y319-R324 PolarHBondContact O-N 3.12Å; L320-R324 HydrophobicContact CD1-CB 4.07Å; L320-R324 PolarHBondContact O-N 2.91Å
325L95.5Very high93.9Very high6 Ų657.2 Ų57.23%0.03131%0.309CS..SBendtrans-70.2141.6-174-74.9175.9000112.4I154 P167 M174 F177 L320 M321 V329 K330 A333I154-L325 HydrophobicContact CD1-CD1 4.29Å; P167-L325 HydrophobicContact CB-CD2 4.01Å; P167-L325 HydrophobicContact CG-CD2 4.18Å; M174-L325 HydrophobicContact CE-CD2 3.93Å; F177-L325 HydrophobicContact CB-CD2 3.93Å; F177-L325 HydrophobicContact CD1-CD2 3.87Å; F177-L325 HydrophobicContact CG-CD2 3.86Å; L320-L325 HydrophobicContact CD1-CD1 4.29Å; L320-L325 HydrophobicContact CD1-CD2 4.23Å; L320-L325 HydrophobicContact CD1-CG 3.83Å; L320-L325 HydrophobicContact CD2-CD1 4.49Å; L320-L325 HydrophobicContact CG-CD1 4Å; L320-L325 HydrophobicContact CG-CG 4.04Å; L320-L325 PolarHBondContact O-N 2.96Å; M321-L325 HydrophobicContact SD-CD1 3.58Å; M321-L325 VanDerWaalsContact SD-CD1 3.58Å; L325-V329 HydrophobicContact CD2-CG1 4.27Å; L325-K330 HydrophobicContact CB-CG 4.15Å; L325-K330 WeakPolarHBondContact O-CE 3.49Å; L325-A333 HydrophobicContact CD1-CB 4.1Å
326P95.1Very high93.5Very high61 Ų6151.9 Ų51.940%0.39628%0.284SS..  trans-60143.4173.5-21.632.4000111.8F177 A328 V329 K330F177-P326 HydrophobicContact CE1-CG 4.4Å; F177-P326 HydrophobicContact CZ-CG 4.1Å; P326-A328 PolarHBondContact O-N 3.22Å; P326-V329 HydrophobicContact CB-CG2 4.14Å; P326-V329 HydrophobicContact CG-CG2 4.21Å; P326-V329 WeakPolarHBondContact O-CB 3.34Å; P326-V329 PolarHBondContact O-N 2.63Å; P326-K330 PolarHBondContact O-N 3.14Å
327A93.5Very high93.2Very high80 Ų8055 Ų5566%0.66130%0.298SS*.THydrogen-bonded Turntrans-53.1-35.7-175.600000114.1V329 P331A327-V329 VanDerWaalsContact C-N 3.28Å; A327-V329 PolarHBondContact O-N 3.12Å; A327-P331 WeakPolarHBondContact O-CD 3.15Å
328A92Very high92.9Very high83 Ų8355.7 Ų55.769%0.68630%0.301SS*.THydrogen-bonded Turntrans-70.7-19.3178.300000114.3P326P326-A328 PolarHBondContact O-N 3.22Å
329V93Very high92.8Very high9 Ų952.6 Ų52.66%0.05529%0.29CS..THydrogen-bonded Turntrans-89-34.5-179.1178.40000111Y152 M174 L325 P326 A327 G332 A333Y152-V329 HydrophobicContact CD1-CB 4.46Å; Y152-V329 HydrophobicContact CD1-CG1 3.72Å; Y152-V329 HydrophobicContact CD1-CG2 4.28Å; Y152-V329 HydrophobicContact CD2-CG1 4.28Å; Y152-V329 HydrophobicContact CE1-CB 4.46Å; Y152-V329 HydrophobicContact CE1-CG1 4.15Å; Y152-V329 HydrophobicContact CE1-CG2 3.83Å; Y152-V329 HydrophobicContact CE2-CG2 4.37Å; Y152-V329 HydrophobicContact CG-CG1 3.79Å; M174-V329 HydrophobicContact CE-CG1 4.29Å; M174-V329 HydrophobicContact CE-CG2 4.32Å; M174-V329 HydrophobicContact SD-CG1 4.22Å; L325-V329 HydrophobicContact CD2-CG1 4.27Å; P326-V329 HydrophobicContact CB-CG2 4.14Å; P326-V329 HydrophobicContact CG-CG2 4.21Å; P326-V329 WeakPolarHBondContact O-CB 3.34Å; P326-V329 PolarHBondContact O-N 2.63Å; A327-V329 VanDerWaalsContact C-N 3.28Å; A327-V329 PolarHBondContact O-N 3.12Å; V329-G332 PolarHBondContact O-N 3.14Å; V329-G332 VanDerWaalsContact O-N 3.11Å; V329-A333 HydrophobicContact CG1-CB 4.4Å; V329-A333 PolarHBondContact O-N 3.07Å
330K93.6Very high92.7Very high56 Ų5650 Ų5024%0.24328%0.282CS..Hα-helixtrans-52.5-47.5-170.8-59.7177.5-178.2-166.40114.4M321 S322 L325 P326 G332 A333 W334M321-K330 WeakPolarHBondContact CE-O 3.47Å; M321-K330 WeakPolarHBondContact O-CD 3.23Å; M321-K330 WeakPolarHBondContact O-CE 3.44Å; M321-K330 PolarHBondContact O-NZ 3.46Å; S322-K330 PolarHBondContact O-NZ 3.39Å; L325-K330 HydrophobicContact CB-CG 4.15Å; L325-K330 WeakPolarHBondContact O-CE 3.49Å; P326-K330 PolarHBondContact O-N 3.14Å; K330-G332 VanDerWaalsContact C-N 3.31Å; K330-G332 PolarHBondContact O-N 3.39Å; K330-A333 PolarHBondContact O-N 3.38Å; K330-W334 PolarHBondContact O-N 3.32Å
331P91.1Very high92.5Very high90 Ų9051.2 Ų51.258%0.58430%0.295SS*.Hα-helixtrans-63.9-38.9-178.8-21.634.1000112.3A327 W334 A335A327-P331 WeakPolarHBondContact O-CD 3.15Å; P331-W334 PolarHBondContact O-N 3.49Å; P331-A335 PolarHBondContact O-N 3.07Å
332G89.7Confident92.5Very high8 Ų853.5 Ų53.58%0.08232%0.32CS..Hα-helixtrans-69.9-39.1178.100000113.2S150 Y152 V329 K330 A335S150-G332 WeakPolarHBondContact OG-CA 3.37Å; Y152-G332 VanDerWaalsContact O-O 3.1Å; V329-G332 PolarHBondContact O-N 3.14Å; V329-G332 VanDerWaalsContact O-N 3.11Å; K330-G332 VanDerWaalsContact C-N 3.31Å; K330-G332 PolarHBondContact O-N 3.39Å; G332-A335 PolarHBondContact O-N 3.46Å
333A90.5Very high92.6Very high1 Ų152 Ų521%0.00831%0.309CS..Hα-helixtrans-64.8-41.3173.700000111.7I154 M321 L325 V329 K330 A335 N336I154-A333 HydrophobicContact CD1-CB 3.92Å; I154-A333 HydrophobicContact CG1-CB 4.04Å; M321-A333 HydrophobicContact CE-CB 3.83Å; M321-A333 HydrophobicContact SD-CB 3.96Å; L325-A333 HydrophobicContact CD1-CB 4.1Å; V329-A333 HydrophobicContact CG1-CB 4.4Å; V329-A333 PolarHBondContact O-N 3.07Å; K330-A333 PolarHBondContact O-N 3.38Å; A333-A335 VanDerWaalsContact C-N 3.27Å; A333-A335 PolarHBondContact O-N 3.31Å; A333-N336 PolarHBondContact O-N 2.77Å
334W89.2Confident92.7Very high146 Ų14646.9 Ų46.955%0.55329%0.29SS*.Hα-helixtrans-61.1-35.6175.7-93.6124000113M321 K330 P331 N336 F337M321-W334 HydrophobicContact CB-CZ2 4.09Å; M321-W334 HydrophobicContact CE-CB 3.95Å; M321-W334 HydrophobicContact CE-CD2 3.5Å; M321-W334 VanDerWaalsContact CE-CD2 3.5Å; M321-W334 VanDerWaalsContact CE-CE2 3.46Å; M321-W334 HydrophobicContact CE-CE3 4.38Å; M321-W334 HydrophobicContact CE-CG 3.26Å; M321-W334 HydrophobicContact CE-CZ2 4.26Å; M321-W334 VanDerWaalsContact CE-NE1 3.28Å; M321-W334 HydrophobicContact CG-CZ2 4.04Å; K330-W334 PolarHBondContact O-N 3.32Å; P331-W334 PolarHBondContact O-N 3.49Å; W334-N336 VanDerWaalsContact C-N 3.29Å; W334-N336 PolarHBondContact O-N 2.83Å; W334-F337 HydrophobicContact CD2-CE2 4.29Å; W334-F337 HydrophobicContact CE3-CD2 4.48Å; W334-F337 AromaticContact CE3-CE2 3.46Å; W334-F337 HydrophobicContact CE3-CE2 3.46Å; W334-F337 VanDerWaalsContact CE3-CE2 3.46Å; W334-F337 HydrophobicContact CE3-CZ 4.02Å; W334-F337 AromaticContact CZ3-CE2 3.75Å; W334-F337 HydrophobicContact CZ3-CE2 3.75Å; W334-F337 AromaticContact CZ3-CZ 3.94Å; W334-F337 HydrophobicContact CZ3-CZ 3.94Å
335A88.3Confident92.6Very high46 Ų4647.3 Ų47.338%0.3831%0.306SS..Hα-helixtrans-70.7-23.3-177.600000113.6L149 P331 G332 A333L149-A335 HydrophobicContact CB-CB 4.08Å; L149-A335 HydrophobicContact CD1-CB 4.39Å; P331-A335 PolarHBondContact O-N 3.07Å; G332-A335 PolarHBondContact O-N 3.46Å; A333-A335 VanDerWaalsContact C-N 3.27Å; A333-A335 PolarHBondContact O-N 3.31Å
336N88.9Confident92.7Very high5 Ų547.6 Ų47.63%0.02731%0.307CS..  trans-133.692.5-170.2-60-41.3000111.4Y141 S150 Y152 C153 I154 A333 W334Y141-N336 PolarHBondContact OH-OD1 2.96Å; S150-N336 WeakPolarHBondContact CB-ND2 3.32Å; S150-N336 PolarHBondContact N-ND2 3.02Å; Y152-N336 PolarHBondContact O-ND2 3Å; C153-N336 CarbonylContact C-O 3.45Å; C153-N336 VanDerWaalsContact CA-O 3.29Å; C153-N336 WeakPolarHBondContact CA-O 3.12Å; C153-N336 HydrophobicContact CB-CB 3.43Å; C153-N336 VanDerWaalsContact CB-CB 3.43Å; C153-N336 WeakPolarHBondContact CB-O 3.42Å; I154-N336 PolarHBondContact N-O 3.01Å; A333-N336 PolarHBondContact O-N 2.77Å; W334-N336 VanDerWaalsContact C-N 3.29Å; W334-N336 PolarHBondContact O-N 2.83Å
337F89.6Confident92.9Very high66 Ų6648.8 Ų48.829%0.28932%0.315SS..EExtended strand (participates in β ladder)trans-102.2135.4167.2-80.1-92.7000110.8I154 I156 I317 W334I154-F337 HydrophobicContact CB-CD1 3.94Å; I154-F337 HydrophobicContact CB-CE1 3.8Å; I154-F337 HydrophobicContact CB-CZ 4.42Å; I154-F337 HydrophobicContact CD1-CE1 3.88Å; I154-F337 HydrophobicContact CD1-CZ 3.83Å; I154-F337 HydrophobicContact CG1-CE1 4.41Å; I154-F337 HydrophobicContact CG2-CD1 4.03Å; I154-F337 HydrophobicContact CG2-CE1 3.8Å; I156-F337 HydrophobicContact CD1-CD1 3.88Å; I156-F337 HydrophobicContact CD1-CE1 4.33Å; I317-F337 HydrophobicContact CG2-CE1 3.77Å; I317-F337 HydrophobicContact CG2-CZ 3.9Å; W334-F337 HydrophobicContact CD2-CE2 4.29Å; W334-F337 HydrophobicContact CE3-CD2 4.48Å; W334-F337 AromaticContact CE3-CE2 3.46Å; W334-F337 HydrophobicContact CE3-CE2 3.46Å; W334-F337 VanDerWaalsContact CE3-CE2 3.46Å; W334-F337 HydrophobicContact CE3-CZ 4.02Å; W334-F337 AromaticContact CZ3-CE2 3.75Å; W334-F337 HydrophobicContact CZ3-CE2 3.75Å; W334-F337 AromaticContact CZ3-CZ 3.94Å; W334-F337 HydrophobicContact CZ3-CZ 3.94Å
338M91.6Very high93Very high27 Ų2745.7 Ų45.713%0.13329%0.291CS..EExtended strand (participates in β ladder)trans-123.4132.9172.5-65.5-177.259.200108.6S137 Y141 I154 V155 I156S137-M338 WeakPolarHBondContact O-CE 3.48Å; Y141-M338 WeakPolarHBondContact CB-SD 3.47Å; Y141-M338 HydrophobicContact CD1-CG 4.34Å; Y141-M338 HydrophobicContact CD1-SD 3.65Å; Y141-M338 HydrophobicContact CD2-CE 4.4Å; Y141-M338 HydrophobicContact CD2-CG 4.27Å; Y141-M338 HydrophobicContact CD2-SD 4.16Å; Y141-M338 HydrophobicContact CE1-SD 4.46Å; Y141-M338 HydrophobicContact CG-CE 3.94Å; Y141-M338 HydrophobicContact CG-CG 4.14Å; Y141-M338 HydrophobicContact CG-SD 3.47Å; I154-M338 PolarHBondContact O-N 2.77Å; V155-M338 CarbonylContact C-O 3.52Å; V155-M338 WeakPolarHBondContact CA-O 3.41Å; V155-M338 HydrophobicContact CG2-CB 4.01Å; V155-M338 HydrophobicContact CG2-SD 4.1Å; I156-M338 PolarHBondContact N-O 2.87Å
339V94.2Very high93.3Very high57 Ų5741.7 Ų41.735%0.34526%0.258SS..EExtended strand (participates in β ladder)trans-115.9132.9177.8-166.70000108.6I156 A344 F349 L353I156-V339 HydrophobicContact CB-CG1 4.44Å; I156-V339 HydrophobicContact CD1-CG2 4.39Å; I156-V339 HydrophobicContact CG2-CG1 4.45Å; I156-V339 CarbonylContact O-C 3.54Å; I156-V339 WeakPolarHBondContact O-CA 3.27Å; V339-A344 HydrophobicContact CG1-CB 3.52Å; V339-F349 HydrophobicContact CG1-CD1 3.81Å; V339-F349 HydrophobicContact CG1-CE1 3.46Å; V339-F349 VanDerWaalsContact CG1-CE1 3.46Å; V339-L353 HydrophobicContact CG1-CD1 4.22Å; V339-L353 HydrophobicContact CG2-CD1 3.76Å
340M94.2Very high93.3Very high36 Ų3644.2 Ų44.218%0.17728%0.279CS..EExtended strand (participates in β ladder)trans-145.8170.6-179.668.9175.3-71.700111.6P133 S137 V155 I156 D157 S158P133-M340 HydrophobicContact CB-CE 3.71Å; S137-M340 WeakPolarHBondContact OG-CE 3.42Å; S137-M340 PolarHBondContact OG-SD 3.27Å; V155-M340 HydrophobicContact CG1-CG 3.86Å; V155-M340 HydrophobicContact CG1-SD 3.54Å; V155-M340 VanDerWaalsContact CG1-SD 3.54Å; I156-M340 PolarHBondContact O-N 3.35Å; D157-M340 HydrophobicContact CB-CG 3.79Å; D157-M340 HydrophobicContact CB-SD 4.11Å; S158-M340 PolarHBondContact N-O 3.35Å
341G93.6Very high93.4Very high26 Ų2648 Ų4827%0.26830%0.298SS..SBendtrans97.8170.5-179.900000112.9S158 A344S158-G341 CarbonylContact O-C 3.47Å; S158-G341 VanDerWaalsContact O-C 3.26Å; S158-G341 VanDerWaalsContact O-CA 3.32Å; S158-G341 WeakPolarHBondContact O-CA 3.42Å; G341-A344 WeakPolarHBondContact O-CB 3.41Å; G341-A344 PolarHBondContact O-N 3.48Å
342G93.7Very high93.6Very high54 Ų5447.1 Ų47.156%0.55728%0.283SS*.SBendtrans-67.8-35.1-173.100000114S158 A344 C345S158-G342 PolarHBondContact O-N 3Å; S158-G342 VanDerWaalsContact O-N 3.12Å; G342-A344 VanDerWaalsContact C-N 3.26Å; G342-A344 PolarHBondContact O-N 3.49Å; G342-C345 WeakPolarHBondContact O-CB 3.36Å; G342-C345 PolarHBondContact O-N 3.29Å
343N96.6Very high93.7Very high4 Ų450.8 Ų50.82%0.02130%0.3CS..G310 helixtrans-75.6-20-179.9-48.2-46.8000111.8S158 G159 G185 I300 C345 F346 F349S158-N343 PolarHBondContact O-N 2.92Å; S158-N343 VanDerWaalsContact O-N 3.09Å; S158-N343 PolarHBondContact O-ND2 3.33Å; S158-N343 WeakPolarHBondContact OG-CB 3.4Å; S158-N343 PolarHBondContact OG-ND2 3.32Å; G159-N343 PolarHBondContact O-ND2 2.86Å; G185-N343 WeakPolarHBondContact CA-OD1 3.14Å; G185-N343 PolarHBondContact N-ND2 3.41Å; I300-N343 HydrophobicContact CD1-CB 3.8Å; N343-C345 PolarHBondContact O-N 3.22Å; N343-F346 HydrophobicContact CB-CD2 4.06Å; N343-F346 HydrophobicContact CB-CE2 3.96Å; N343-F346 WeakPolarHBondContact O-CB 3.44Å; N343-F346 WeakPolarHBondContact O-CD2 3.42Å; N343-F346 PolarHBondContact O-N 2.99Å; N343-F346 VanDerWaalsContact O-N 3.14Å; N343-F349 HydrophobicContact CB-CE2 4.46Å; N343-F349 VanDerWaalsContact O-CD2 3.28Å; N343-F349 WeakPolarHBondContact O-CD2 3.27Å
344A95.4Very high93.8Very high26 Ų2653.3 Ų53.322%0.21532%0.315CS..G310 helixtrans-65.2-16.9173.500000112.8V339 G341 G342 F346 F349V339-A344 HydrophobicContact CG1-CB 3.52Å; G341-A344 WeakPolarHBondContact O-CB 3.41Å; G341-A344 PolarHBondContact O-N 3.48Å; G342-A344 VanDerWaalsContact C-N 3.26Å; G342-A344 PolarHBondContact O-N 3.49Å; A344-F346 VanDerWaalsContact C-N 3.26Å; A344-F346 PolarHBondContact O-N 3.2Å; A344-F349 HydrophobicContact CB-CD1 4.28Å; A344-F349 HydrophobicContact CB-CE1 4.33Å
345C96.2Very high94.1Very high106 Ų10648.4 Ų48.472%0.71630%0.302SS*.G310 helixtrans-78-6.6175.3-60.60000113.3G342 N343G342-C345 WeakPolarHBondContact O-CB 3.36Å; G342-C345 PolarHBondContact O-N 3.29Å; N343-C345 PolarHBondContact O-N 3.22Å
346F97.6Very high94.4Very high13 Ų1348.5 Ų48.56%0.05730%0.298CS..SBendtrans-63.4132.1173.4-74.2-51.7000110.4L188 K214 C218 V220 P297 N343 A344 G348 F349L188-F346 HydrophobicContact CD1-CE2 3.79Å; L188-F346 HydrophobicContact CD1-CZ 4.35Å; K214-F346 HydrophobicContact CD-CZ 3.99Å; K214-F346 HydrophobicContact CG-CE1 4.26Å; K214-F346 HydrophobicContact CG-CZ 3.96Å; C218-F346 HydrophobicContact CB-CD1 4.14Å; C218-F346 HydrophobicContact CB-CE1 3.64Å; C218-F346 HydrophobicContact CB-CZ 4.3Å; C218-F346 WeakPolarHBondContact O-CD1 3.42Å; V220-F346 HydrophobicContact CG2-CB 4.03Å; P297-F346 HydrophobicContact CB-CD2 4.34Å; P297-F346 HydrophobicContact CB-CE2 4.42Å; P297-F346 HydrophobicContact CG-CD2 4.46Å; P297-F346 HydrophobicContact CG-CE2 4.32Å; P297-F346 HydrophobicContact CG-CZ 4.36Å; N343-F346 HydrophobicContact CB-CD2 4.06Å; N343-F346 HydrophobicContact CB-CE2 3.96Å; N343-F346 WeakPolarHBondContact O-CB 3.44Å; N343-F346 WeakPolarHBondContact O-CD2 3.42Å; N343-F346 PolarHBondContact O-N 2.99Å; N343-F346 VanDerWaalsContact O-N 3.14Å; A344-F346 VanDerWaalsContact C-N 3.26Å; A344-F346 PolarHBondContact O-N 3.2Å; F346-G348 PolarHBondContact O-N 3.4Å; F346-F349 HydrophobicContact CB-CB 4.28Å; F346-F349 WeakPolarHBondContact O-CB 3.32Å; F346-F349 PolarHBondContact O-N 3.34Å; F346-F349 VanDerWaalsContact O-N 3.12Å
347P97.8Very high94.7Very high86 Ų8651.1 Ų51.156%0.55831%0.314SS*.THydrogen-bonded Turntrans-56.1137.1170.6-22.632.7000110.4Y219 V220 F349Y219-P347 WeakPolarHBondContact CB-O 3.34Å; V220-P347 PolarHBondContact N-O 3.06Å; P347-F349 VanDerWaalsContact C-N 3.29Å; P347-F349 PolarHBondContact O-N 3.37Å
348G96.6Very high95Very high14 Ų1450.1 Ų50.114%0.14432%0.315CS..THydrogen-bonded Turntrans84.1-7-178.300000115F346 E351 R352F346-G348 PolarHBondContact O-N 3.4Å; G348-E351 WeakPolarHBondContact CA-OE2 3.21Å; G348-E351 PolarHBondContact N-OE2 3.36Å; G348-E351 PolarHBondContact O-N 3.07Å; G348-R352 VanDerWaalsContact O-CB 3.26Å; G348-R352 WeakPolarHBondContact O-CB 3.37Å; G348-R352 PolarHBondContact O-N 3.07Å
349F97.4Very high95.3Very high0 Ų051.7 Ų51.70%033%0.327CS..Hα-helixtrans-64.4-46.3-176.2-171.7-82.2000111.8V220 I300 F301 L313 V339 N343 A344 F346 P347 L353V220-F349 HydrophobicContact CG2-CB 4.11Å; V220-F349 HydrophobicContact CG2-CD2 3.81Å; V220-F349 HydrophobicContact CG2-CG 4.41Å; I300-F349 HydrophobicContact CD1-CE2 3.79Å; I300-F349 HydrophobicContact CG2-CE2 4.26Å; F301-F349 HydrophobicContact CZ-CE2 4.4Å; L313-F349 HydrophobicContact CD2-CE1 4.3Å; L313-F349 HydrophobicContact CD2-CE2 4.37Å; L313-F349 HydrophobicContact CD2-CZ 3.61Å; V339-F349 HydrophobicContact CG1-CD1 3.81Å; V339-F349 HydrophobicContact CG1-CE1 3.46Å; V339-F349 VanDerWaalsContact CG1-CE1 3.46Å; N343-F349 HydrophobicContact CB-CE2 4.46Å; N343-F349 VanDerWaalsContact O-CD2 3.28Å; N343-F349 WeakPolarHBondContact O-CD2 3.27Å; A344-F349 HydrophobicContact CB-CD1 4.28Å; A344-F349 HydrophobicContact CB-CE1 4.33Å; F346-F349 HydrophobicContact CB-CB 4.28Å; F346-F349 WeakPolarHBondContact O-CB 3.32Å; F346-F349 PolarHBondContact O-N 3.34Å; F346-F349 VanDerWaalsContact O-N 3.12Å; P347-F349 VanDerWaalsContact C-N 3.29Å; P347-F349 PolarHBondContact O-N 3.37Å; F349-L353 HydrophobicContact CD1-CD1 3.9Å; F349-L353 HydrophobicContact CE1-CD1 3.54Å; F349-L353 HydrophobicContact CE1-CG 4.3Å; F349-L353 HydrophobicContact CZ-CD1 4.47Å; F349-L353 WeakPolarHBondContact O-CG 3.47Å; F349-L353 PolarHBondContact O-N 3.39Å
350A94.1Very high95.3Very high61 Ų6151.3 Ų51.350%0.50433%0.326SS..Hα-helixtrans-72.2-34-18000000111.9R352A350-R352 VanDerWaalsContact C-N 3.32Å
351E95Very high95.4Very high136 Ų13652.5 Ų52.564%0.63634%0.338SS*.Hα-helixtrans-72.6-25.1178.7-62.483.1172.500113T222 G348T222-E351 HydrophobicContact CG2-CB 3.96Å; G348-E351 WeakPolarHBondContact CA-OE2 3.21Å; G348-E351 PolarHBondContact N-OE2 3.36Å; G348-E351 PolarHBondContact O-N 3.07Å
352R94.6Very high95.6Very high72 Ų7254.7 Ų54.727%0.27234%0.343SS..Hα-helixtrans-79-30.917617960.9163.9169.5-3.7112.8V220 E298 F301 G348 A350V220-R352 HydrophobicContact CG1-CB 3.53Å; V220-R352 HydrophobicContact CG1-CG 3.62Å; E298-R352 IonicContact OE1-NH2 3.45Å; E298-R352 PolarHBondContact OE1-NH2 3.41Å; F301-R352 HydrophobicContact CD1-CG 4.11Å; F301-R352 HydrophobicContact CD2-CG 4.45Å; F301-R352 HydrophobicContact CE1-CB 4.43Å; F301-R352 HydrophobicContact CE1-CG 3.59Å; F301-R352 HydrophobicContact CE2-CG 3.99Å; F301-R352 HydrophobicContact CZ-CB 4.12Å; F301-R352 HydrophobicContact CZ-CG 3.52Å; G348-R352 VanDerWaalsContact O-CB 3.26Å; G348-R352 WeakPolarHBondContact O-CB 3.37Å; G348-R352 PolarHBondContact O-N 3.07Å; A350-R352 VanDerWaalsContact C-N 3.32Å
353L92.1Very high95.7Very high84 Ų8454.7 Ų54.744%0.4432%0.324SS..  trans-72.80175-71.6177000110.7I156 F301 L313 T314 I317 V339 F349I156-L353 HydrophobicContact CD1-CD1 3.77Å; I156-L353 HydrophobicContact CD1-CD2 4.38Å; F301-L353 HydrophobicContact CE1-CD2 4.06Å; L313-L353 HydrophobicContact CD2-CD2 3.76Å; L313-L353 HydrophobicContact CG-CD2 3.88Å; T314-L353 HydrophobicContact CG2-CD2 4.17Å; I317-L353 HydrophobicContact CD1-CD2 3.77Å; V339-L353 HydrophobicContact CG1-CD1 4.22Å; V339-L353 HydrophobicContact CG2-CD1 3.76Å; F349-L353 HydrophobicContact CD1-CD1 3.9Å; F349-L353 HydrophobicContact CE1-CD1 3.54Å; F349-L353 HydrophobicContact CE1-CG 4.3Å; F349-L353 HydrophobicContact CZ-CD1 4.47Å; F349-L353 WeakPolarHBondContact O-CG 3.47Å; F349-L353 PolarHBondContact O-N 3.39Å

Retrieved 353 of 353 residues in 202.3 ms (Link to these results)

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