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Uridylate-specific endoribonuclease AlphaSync

Endoribonuclease that cleaves single-stranded RNAs at uridylates and releases products that have 2'-3'-cyclic phosphate termini.

AlphaFold DB , UniProt , Accession A0A3Q0KFW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 268 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
1M36.3Very low73Confident244 Ų244103.3 Ų103.3100%1.20255%0.548SS*.  0102.90-69.7175.3166.200107.4K3M1-K3 PolarHBondContact O-N 2.62Å
2S43.5Very low75.1Confident117 Ų11795 Ų9582%0.81850%0.504SS*.PPolyproline II helixtrans-64.6127169.452.80000106.7S4S2-S4 PolarHBondContact O-N 3.22Å; S2-S4 VanDerWaalsContact O-N 3.08Å
3K43.8Very low76.9Confident200 Ų20098.2 Ų98.287%0.8751%0.511SS*.PPolyproline II helixtrans-49.2124167-80.1-179.7174.2-178.20105.9M1 P5M1-K3 PolarHBondContact O-N 2.62Å; K3-P5 VanDerWaalsContact O-N 3.14Å
4S52.6Low78.5Confident73 Ų7392.5 Ų92.551%0.5148%0.48SS..PPolyproline II helixtrans-52.9128.8171.685.40000106S2 D6 K242S2-S4 PolarHBondContact O-N 3.22Å; S2-S4 VanDerWaalsContact O-N 3.08Å; S4-D6 PolarHBondContact O-N 2.62Å; S4-K242 PolarHBondContact OG-NZ 2.81Å
5P61.1Low79.8Confident40 Ų4086.3 Ų86.326%0.2645%0.448SS..PPolyproline II helixtrans-56.1136.8-175.1-21.230.8000108.7K3 K242K3-P5 VanDerWaalsContact O-N 3.14Å; P5-K242 WeakPolarHBondContact O-CD 3.22Å
6D85.2Confident81Confident149 Ų14982.6 Ų82.680%0.79743%0.431SS*.PPolyproline II helixtrans-58.6160.9167.4-69.6-38.7000109.4S4 N8S4-D6 PolarHBondContact O-N 2.62Å; D6-N8 PolarHBondContact O-N 3.09Å
7V94.1Very high82Confident45 Ų4585.5 Ų85.527%0.27344%0.439SS..PPolyproline II helixtrans-56.2130.5177.21750000109.2E9 S12 K242 Q244V7-E9 PolarHBondContact O-N 3.27Å; V7-S12 WeakPolarHBondContact CG1-OG 3.35Å; V7-K242 HydrophobicContact CG2-CB 4.49Å; V7-Q244 HydrophobicContact CG1-CB 4.5Å
8N95.7Very high83Confident58 Ų5880.8 Ų80.831%0.3142%0.415SS..  trans-75.495.1175.2-173.9-40.3000109D6 E10 L11 S12 T241 K242 V243D6-N8 PolarHBondContact O-N 3.09Å; N8-E10 VanDerWaalsContact C-N 3.32Å; N8-E10 PolarHBondContact O-N 3.18Å; N8-E10 PolarHBondContact OD1-N 2.95Å; N8-L11 HydrophobicContact CB-CB 4.29Å; N8-L11 PolarHBondContact O-N 2.78Å; N8-L11 WeakPolarHBondContact OD1-CG 3.41Å; N8-L11 PolarHBondContact OD1-N 2.82Å; N8-S12 VanDerWaalsContact O-CB 3.27Å; N8-S12 WeakPolarHBondContact O-CB 3.44Å; N8-S12 PolarHBondContact O-N 3Å; N8-S12 PolarHBondContact O-OG 3.43Å; N8-T241 HydrophobicContact CB-CG2 4.09Å; N8-K242 PolarHBondContact N-O 2.77Å; N8-V243 HydrophobicContact CB-CG1 4.4Å
9E96.6Very high83.8Confident113 Ų11380.6 Ų80.653%0.52841%0.409SS..Hα-helixtrans-61.8-35.1-175.2-70.3-58.3145.900113.7V7 K13V7-E9 PolarHBondContact O-N 3.27Å; E9-K13 WeakPolarHBondContact O-CB 3.33Å; E9-K13 VanDerWaalsContact O-CG 3.26Å; E9-K13 WeakPolarHBondContact O-CG 3.48Å; E9-K13 PolarHBondContact O-N 3.23Å
10E96.8Very high84.5Confident94 Ų9484.8 Ų84.844%0.43942%0.424SS..Hα-helixtrans-69.6-49.7179.9-180169.8-14500111.4N8 S12 K13 F14 F116 K120N8-E10 VanDerWaalsContact C-N 3.32Å; N8-E10 PolarHBondContact O-N 3.18Å; N8-E10 PolarHBondContact OD1-N 2.95Å; E10-S12 VanDerWaalsContact C-N 3.3Å; E10-S12 PolarHBondContact O-N 2.89Å; E10-K13 PolarHBondContact O-N 2.67Å; E10-F14 PolarHBondContact O-N 3.05Å; E10-F116 HydrophobicContact CG-CZ 4.42Å; E10-K120 VanDerWaalsContact CD-CE 3.47Å; E10-K120 WeakPolarHBondContact OE1-CE 3.24Å; E10-K120 IonicContact OE1-NZ 2.73Å; E10-K120 PolarHBondContact OE1-NZ 3.45Å; E10-K120 WeakPolarHBondContact OE2-CE 3.35Å; E10-K120 IonicContact OE2-NZ 3.49Å; E10-K120 PolarHBondContact OE2-NZ 2.86Å
11L97.6Very high85.1Confident3 Ų381.1 Ų81.12%0.01641%0.407CS..Hα-helixtrans-64.6-38.2176.7-66.9-174.4000110.9N8 K13 F14 F15 F116 V231 L235 T241 V243N8-L11 HydrophobicContact CB-CB 4.29Å; N8-L11 PolarHBondContact O-N 2.78Å; N8-L11 WeakPolarHBondContact OD1-CG 3.41Å; N8-L11 PolarHBondContact OD1-N 2.82Å; L11-K13 VanDerWaalsContact C-N 3.34Å; L11-K13 PolarHBondContact O-N 2.8Å; L11-F14 PolarHBondContact O-N 3.11Å; L11-F15 HydrophobicContact CB-CD2 4.1Å; L11-F15 HydrophobicContact CB-CE2 3.77Å; L11-F15 HydrophobicContact CB-CZ 4.19Å; L11-F15 HydrophobicContact CD1-CE2 4.31Å; L11-F15 HydrophobicContact CD1-CZ 4.37Å; L11-F15 HydrophobicContact CD2-CE1 4.49Å; L11-F15 HydrophobicContact CD2-CZ 4.13Å; L11-F15 HydrophobicContact CG-CE2 4.44Å; L11-F15 HydrophobicContact CG-CZ 4.46Å; L11-F15 VanDerWaalsContact O-CB 3.25Å; L11-F15 WeakPolarHBondContact O-CB 3.49Å; L11-F15 WeakPolarHBondContact O-CD2 3.34Å; L11-F15 WeakPolarHBondContact O-CG 3.31Å; L11-F15 PolarHBondContact O-N 3.35Å; L11-F116 HydrophobicContact CD2-CE1 4.15Å; L11-F116 HydrophobicContact CD2-CZ 4.25Å; L11-V231 HydrophobicContact CD2-CG1 3.9Å; L11-L235 HydrophobicContact CD2-CD1 3.83Å; L11-T241 HydrophobicContact CD1-CG2 3.93Å; L11-V243 HydrophobicContact CB-CG1 3.95Å
12S98.2Very high88.1Confident4 Ų470.1 Ų70.13%0.02835%0.353CS..Hα-helixtrans-56.9-46.6174.3-60.50000112V7 N8 E10 T16 V243 Q244V7-S12 WeakPolarHBondContact CG1-OG 3.35Å; N8-S12 VanDerWaalsContact O-CB 3.27Å; N8-S12 WeakPolarHBondContact O-CB 3.44Å; N8-S12 PolarHBondContact O-N 3Å; N8-S12 PolarHBondContact O-OG 3.43Å; E10-S12 VanDerWaalsContact C-N 3.3Å; E10-S12 PolarHBondContact O-N 2.89Å; S12-T16 VanDerWaalsContact O-CB 3.28Å; S12-T16 WeakPolarHBondContact O-CB 3.41Å; S12-T16 PolarHBondContact O-N 3.05Å; S12-T16 PolarHBondContact O-OG1 3.15Å; S12-V243 VanDerWaalsContact OG-CA 3.31Å; S12-V243 WeakPolarHBondContact OG-CA 3.45Å; S12-Q244 WeakPolarHBondContact CA-O 3.21Å; S12-Q244 WeakPolarHBondContact CB-O 3.2Å; S12-Q244 PolarHBondContact OG-N 3.08Å
13K98.4Very high90.6Very high137 Ų13771.2 Ų71.260%0.59635%0.345SS*.Hα-helixtrans-63.9-43.8176.1-73.9170-172.4175.70111.9E9 E10 L11 K17E9-K13 WeakPolarHBondContact O-CB 3.33Å; E9-K13 VanDerWaalsContact O-CG 3.26Å; E9-K13 WeakPolarHBondContact O-CG 3.48Å; E9-K13 PolarHBondContact O-N 3.23Å; E10-K13 PolarHBondContact O-N 2.67Å; L11-K13 VanDerWaalsContact C-N 3.34Å; L11-K13 PolarHBondContact O-N 2.8Å; K13-K17 WeakPolarHBondContact O-CG 3.48Å; K13-K17 PolarHBondContact O-N 3.18Å
14F98.7Very high93.2Very high18 Ų1863.4 Ų63.48%0.07931%0.313CS..Hα-helixtrans-68.8-47-178.9-178.4-113.8000112.2E10 L11 T16 K17 L18 F116 V231E10-F14 PolarHBondContact O-N 3.05Å; L11-F14 PolarHBondContact O-N 3.11Å; F14-T16 VanDerWaalsContact C-N 3.32Å; F14-T16 PolarHBondContact O-N 3.13Å; F14-K17 WeakPolarHBondContact O-CA 3.38Å; F14-K17 VanDerWaalsContact O-CB 3.3Å; F14-K17 WeakPolarHBondContact O-CB 3.34Å; F14-K17 PolarHBondContact O-N 2.74Å; F14-L18 HydrophobicContact CD1-CD1 4.24Å; F14-L18 HydrophobicContact CD1-CG 4.44Å; F14-L18 HydrophobicContact CE1-CD1 3.6Å; F14-L18 HydrophobicContact CE1-CD2 4.25Å; F14-L18 HydrophobicContact CE1-CG 3.94Å; F14-L18 HydrophobicContact CE2-CD2 4.19Å; F14-L18 HydrophobicContact CE2-CG 4.41Å; F14-L18 HydrophobicContact CZ-CD1 3.97Å; F14-L18 HydrophobicContact CZ-CD2 3.74Å; F14-L18 HydrophobicContact CZ-CG 3.91Å; F14-L18 PolarHBondContact O-N 3.28Å; F14-F116 HydrophobicContact CB-CE1 4.47Å; F14-F116 HydrophobicContact CB-CE2 4.17Å; F14-F116 HydrophobicContact CB-CZ 4.12Å; F14-F116 AromaticContact CD1-CD1 3.54Å; F14-F116 HydrophobicContact CD1-CD1 3.54Å; F14-F116 HydrophobicContact CD1-CD2 4.37Å; F14-F116 AromaticContact CD1-CE1 3.64Å; F14-F116 HydrophobicContact CD1-CE1 3.64Å; F14-F116 HydrophobicContact CD1-CE2 4.47Å; F14-F116 AromaticContact CD1-CG 3.92Å; F14-F116 HydrophobicContact CD1-CG 3.92Å; F14-F116 HydrophobicContact CD1-CZ 4.13Å; F14-F116 HydrophobicContact CD2-CB 4.13Å; F14-F116 HydrophobicContact CD2-CD1 4.27Å; F14-F116 AromaticContact CD2-CD2 3.71Å; F14-F116 HydrophobicContact CD2-CD2 3.71Å; F14-F116 HydrophobicContact CD2-CE2 4.16Å; F14-F116 AromaticContact CD2-CG 3.78Å; F14-F116 HydrophobicContact CD2-CG 3.78Å; F14-F116 HydrophobicContact CE1-CB 3.99Å; F14-F116 AromaticContact CE1-CD1 3.47Å; F14-F116 HydrophobicContact CE1-CD1 3.47Å; F14-F116 VanDerWaalsContact CE1-CD1 3.47Å; F14-F116 HydrophobicContact CE1-CE1 4.05Å; F14-F116 AromaticContact CE1-CG 3.77Å; F14-F116 HydrophobicContact CE1-CG 3.77Å; F14-F116 HydrophobicContact CE2-CB 3.48Å; F14-F116 VanDerWaalsContact CE2-CB 3.48Å; F14-F116 HydrophobicContact CE2-CD1 4.22Å; F14-F116 AromaticContact CE2-CD2 3.98Å; F14-F116 HydrophobicContact CE2-CD2 3.98Å; F14-F116 AromaticContact CE2-CG 3.64Å; F14-F116 HydrophobicContact CE2-CG 3.64Å; F14-F116 AromaticContact CG-CD1 3.97Å; F14-F116 HydrophobicContact CG-CD1 3.97Å; F14-F116 AromaticContact CG-CD2 3.94Å; F14-F116 HydrophobicContact CG-CD2 3.94Å; F14-F116 AromaticContact CG-CE1 3.99Å; F14-F116 HydrophobicContact CG-CE1 3.99Å; F14-F116 AromaticContact CG-CE2 3.99Å; F14-F116 HydrophobicContact CG-CE2 3.99Å; F14-F116 AromaticContact CG-CG 3.93Å; F14-F116 HydrophobicContact CG-CG 3.93Å; F14-F116 HydrophobicContact CG-CZ 4.01Å; F14-F116 HydrophobicContact CZ-CB 3.4Å; F14-F116 VanDerWaalsContact CZ-CB 3.4Å; F14-F116 AromaticContact CZ-CD1 3.84Å; F14-F116 HydrophobicContact CZ-CD1 3.84Å; F14-F116 HydrophobicContact CZ-CD2 4.41Å; F14-F116 AromaticContact CZ-CG 3.64Å; F14-F116 HydrophobicContact CZ-CG 3.64Å; F14-V231 HydrophobicContact CD1-CG1 4.31Å; F14-V231 HydrophobicContact CE1-CG1 4.38Å; F14-V231 HydrophobicContact CE1-CG2 4.07Å
15F98.7Very high95.3Very high0 Ų061.3 Ų61.30%030%0.3CS..Hα-helixtrans-65.2-34.5178.3-62.4-20.6000112.6L11 K17 L18 Y19 I228 V231 T232 V243 I245 I252L11-F15 HydrophobicContact CB-CD2 4.1Å; L11-F15 HydrophobicContact CB-CE2 3.77Å; L11-F15 HydrophobicContact CB-CZ 4.19Å; L11-F15 HydrophobicContact CD1-CE2 4.31Å; L11-F15 HydrophobicContact CD1-CZ 4.37Å; L11-F15 HydrophobicContact CD2-CE1 4.49Å; L11-F15 HydrophobicContact CD2-CZ 4.13Å; L11-F15 HydrophobicContact CG-CE2 4.44Å; L11-F15 HydrophobicContact CG-CZ 4.46Å; L11-F15 VanDerWaalsContact O-CB 3.25Å; L11-F15 WeakPolarHBondContact O-CB 3.49Å; L11-F15 WeakPolarHBondContact O-CD2 3.34Å; L11-F15 WeakPolarHBondContact O-CG 3.31Å; L11-F15 PolarHBondContact O-N 3.35Å; F15-K17 VanDerWaalsContact C-N 3.28Å; F15-K17 PolarHBondContact O-N 3.2Å; F15-L18 HydrophobicContact CD1-CD1 4.29Å; F15-L18 PolarHBondContact O-N 2.91Å; F15-Y19 WeakPolarHBondContact O-CB 3.43Å; F15-Y19 PolarHBondContact O-N 3.33Å; F15-I228 HydrophobicContact CB-CD1 3.54Å; F15-I228 HydrophobicContact CD1-CD1 3.15Å; F15-I228 HydrophobicContact CD2-CD1 3.95Å; F15-I228 HydrophobicContact CE1-CD1 3.68Å; F15-I228 HydrophobicContact CE2-CD1 4.42Å; F15-I228 HydrophobicContact CE2-CG2 4.36Å; F15-I228 HydrophobicContact CG-CD1 3.28Å; F15-I228 HydrophobicContact CZ-CD1 4.29Å; F15-I228 HydrophobicContact CZ-CG2 4.34Å; F15-V231 HydrophobicContact CE1-CB 3.82Å; F15-V231 HydrophobicContact CE1-CG1 3.6Å; F15-V231 HydrophobicContact CZ-CB 4.17Å; F15-V231 HydrophobicContact CZ-CG1 3.89Å; F15-T232 WeakPolarHBondContact CZ-OG1 3.45Å; F15-V243 HydrophobicContact CD2-CB 4.36Å; F15-V243 HydrophobicContact CD2-CG1 4.05Å; F15-V243 HydrophobicContact CD2-CG2 4.24Å; F15-V243 HydrophobicContact CE2-CG1 4.1Å; F15-I245 HydrophobicContact CB-CD1 3.78Å; F15-I245 HydrophobicContact CB-CG1 3.78Å; F15-I245 HydrophobicContact CD2-CD1 4.25Å; F15-I245 HydrophobicContact CG-CD1 4.39Å; F15-I252 HydrophobicContact CD2-CD1 3.89Å; F15-I252 HydrophobicContact CE2-CD1 3.42Å; F15-I252 VanDerWaalsContact CE2-CD1 3.42Å; F15-I252 HydrophobicContact CZ-CD1 4.28Å
16T98.7Very high97.1Very high27 Ų2759.5 Ų59.517%0.16629%0.288CS..Hα-helixtrans-62.3-35.2169.5-63.60000112.1S12 F14 K20 Q244 A246S12-T16 VanDerWaalsContact O-CB 3.28Å; S12-T16 WeakPolarHBondContact O-CB 3.41Å; S12-T16 PolarHBondContact O-N 3.05Å; S12-T16 PolarHBondContact O-OG1 3.15Å; F14-T16 VanDerWaalsContact C-N 3.32Å; F14-T16 PolarHBondContact O-N 3.13Å; T16-K20 HydrophobicContact CG2-CD 4.32Å; T16-K20 WeakPolarHBondContact O-CG 3.46Å; T16-K20 PolarHBondContact O-N 3.42Å; T16-Q244 PolarHBondContact OG1-O 3.08Å; T16-A246 HydrophobicContact CG2-CB 4.31Å; T16-A246 PolarHBondContact OG1-N 2.87Å
17K98.8Very high97.6Very high132 Ų13256.8 Ų56.857%0.57427%0.273SS*.Hα-helixtrans-69-40.7174.1-69.1175.7179.8-174.90111.5K13 F14 F15 K20 A21 M112K13-K17 WeakPolarHBondContact O-CG 3.48Å; K13-K17 PolarHBondContact O-N 3.18Å; F14-K17 WeakPolarHBondContact O-CA 3.38Å; F14-K17 VanDerWaalsContact O-CB 3.3Å; F14-K17 WeakPolarHBondContact O-CB 3.34Å; F14-K17 PolarHBondContact O-N 2.74Å; F15-K17 VanDerWaalsContact C-N 3.28Å; F15-K17 PolarHBondContact O-N 3.2Å; K17-K20 PolarHBondContact O-N 2.73Å; K17-A21 VanDerWaalsContact O-CB 3.25Å; K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 2.95Å; K17-A21 VanDerWaalsContact O-N 3.08Å; K17-M112 HydrophobicContact CB-CE 3.74Å
18L98.8Very high97.7Very high0 Ų058.2 Ų58.20%028%0.284CS..Hα-helixtrans-62-47.3175-65.5-172.9000111.3F14 F15 K20 A21 D22 V109 M112 F224 A227 I228F14-L18 HydrophobicContact CD1-CD1 4.24Å; F14-L18 HydrophobicContact CD1-CG 4.44Å; F14-L18 HydrophobicContact CE1-CD1 3.6Å; F14-L18 HydrophobicContact CE1-CD2 4.25Å; F14-L18 HydrophobicContact CE1-CG 3.94Å; F14-L18 HydrophobicContact CE2-CD2 4.19Å; F14-L18 HydrophobicContact CE2-CG 4.41Å; F14-L18 HydrophobicContact CZ-CD1 3.97Å; F14-L18 HydrophobicContact CZ-CD2 3.74Å; F14-L18 HydrophobicContact CZ-CG 3.91Å; F14-L18 PolarHBondContact O-N 3.28Å; F15-L18 HydrophobicContact CD1-CD1 4.29Å; F15-L18 PolarHBondContact O-N 2.91Å; L18-K20 VanDerWaalsContact C-N 3.28Å; L18-K20 PolarHBondContact O-N 3.23Å; L18-A21 CarbonylContact O-C 3.51Å; L18-A21 WeakPolarHBondContact O-CA 3.45Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-D22 PolarHBondContact O-N 3.36Å; L18-V109 HydrophobicContact CD2-CG1 4.24Å; L18-M112 HydrophobicContact CD2-CB 3.76Å; L18-M112 HydrophobicContact CD2-CE 4.11Å; L18-M112 HydrophobicContact CD2-SD 4.43Å; L18-F224 HydrophobicContact CB-CD2 4.16Å; L18-F224 HydrophobicContact CB-CE2 4.07Å; L18-A227 HydrophobicContact CD1-CB 3.86Å; L18-I228 HydrophobicContact CD1-CD1 4.1Å
19Y98.2Very high97.6Very high77 Ų7759.1 Ų59.130%0.30231%0.307SS..Hα-helixtrans-57.4-42179-178-90.2000111.9F15 A21 D22 Q197 F217 F224 I245 A246F15-Y19 WeakPolarHBondContact O-CB 3.43Å; F15-Y19 PolarHBondContact O-N 3.33Å; Y19-A21 VanDerWaalsContact C-N 3.28Å; Y19-A21 PolarHBondContact O-N 2.91Å; Y19-D22 PolarHBondContact O-N 3.27Å; Y19-Q197 PolarHBondContact OH-OE1 2.85Å; Y19-F217 HydrophobicContact CE2-CE1 4.36Å; Y19-F217 HydrophobicContact CE2-CZ 4.17Å; Y19-F224 HydrophobicContact CD2-CE2 4.33Å; Y19-F224 HydrophobicContact CD2-CZ 4.15Å; Y19-I245 HydrophobicContact CD2-CG2 4.11Å; Y19-I245 HydrophobicContact CG-CG2 3.99Å; Y19-A246 HydrophobicContact CD1-CB 3.54Å; Y19-A246 HydrophobicContact CE1-CB 3.8Å; Y19-A246 HydrophobicContact CG-CB 4.2Å
20K98Very high97.6Very high165 Ų16560.6 Ų60.672%0.71731%0.311SS*.Hα-helixtrans-73.5-17.8176.3-69.4177.9178.5-1730114.1T16 K17 L18T16-K20 HydrophobicContact CG2-CD 4.32Å; T16-K20 WeakPolarHBondContact O-CG 3.46Å; T16-K20 PolarHBondContact O-N 3.42Å; K17-K20 PolarHBondContact O-N 2.73Å; L18-K20 VanDerWaalsContact C-N 3.28Å; L18-K20 PolarHBondContact O-N 3.23Å
21A98.2Very high97.6Very high7 Ų756.4 Ų56.46%0.05829%0.292CS..Hα-helixtrans-102.10.9179.400000112.4K17 L18 Y19 E23 K108 M112K17-A21 VanDerWaalsContact O-CB 3.25Å; K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 2.95Å; K17-A21 VanDerWaalsContact O-N 3.08Å; L18-A21 CarbonylContact O-C 3.51Å; L18-A21 WeakPolarHBondContact O-CA 3.45Å; L18-A21 PolarHBondContact O-N 3.44Å; Y19-A21 VanDerWaalsContact C-N 3.28Å; Y19-A21 PolarHBondContact O-N 2.91Å; A21-E23 VanDerWaalsContact C-N 3.3Å; A21-E23 PolarHBondContact O-N 2.89Å; A21-K108 HydrophobicContact CB-CD 4.09Å; A21-K108 HydrophobicContact CB-CG 4.34Å; A21-M112 HydrophobicContact CB-CE 4.13Å; A21-M112 HydrophobicContact CB-SD 3.53Å; A21-M112 VanDerWaalsContact CB-SD 3.53Å
22D98.3Very high97.6Very high14 Ų1456.4 Ų56.48%0.07529%0.292CS..  trans-7683177.2-171.66.1000109.8L18 Y19 N24 A25 V109 S221 F224L18-D22 PolarHBondContact O-N 3.36Å; Y19-D22 PolarHBondContact O-N 3.27Å; D22-N24 PolarHBondContact O-N 3.41Å; D22-N24 PolarHBondContact OD1-N 2.9Å; D22-A25 HydrophobicContact CB-CB 4.09Å; D22-A25 WeakPolarHBondContact O-CB 3.14Å; D22-A25 PolarHBondContact O-N 3.41Å; D22-A25 PolarHBondContact OD1-N 2.83Å; D22-V109 HydrophobicContact CB-CG2 4.17Å; D22-S221 WeakPolarHBondContact OD1-CB 3.13Å; D22-S221 PolarHBondContact OD1-OG 3.06Å; D22-S221 PolarHBondContact OD2-N 3.26Å; D22-S221 PolarHBondContact OD2-OG 2.9Å; D22-F224 HydrophobicContact CB-CD2 4.45Å; D22-F224 VanDerWaalsContact OD2-CB 3.31Å; D22-F224 WeakPolarHBondContact OD2-CB 3.35Å
23E97.1Very high97.6Very high139 Ų13961.1 Ų61.165%0.6531%0.311SS*.THydrogen-bonded Turntrans-64.6-19.3-179.2-67.9165.5141.100112.3A21 K108A21-E23 VanDerWaalsContact C-N 3.3Å; A21-E23 PolarHBondContact O-N 2.89Å; E23-K108 WeakPolarHBondContact OE2-CB 3.36Å
24N98Very high97.6Very high37 Ų3755.7 Ų55.720%0.19829%0.289CS..THydrogen-bonded Turntrans-104.79.8178.6-69.3-42000113.1D22 R66 F69 E223D22-N24 PolarHBondContact O-N 3.41Å; D22-N24 PolarHBondContact OD1-N 2.9Å; N24-R66 PolarHBondContact O-NH1 3.15Å; N24-F69 HydrophobicContact CB-CE2 3.97Å; N24-F69 VanDerWaalsContact O-CE2 3.3Å; N24-F69 WeakPolarHBondContact O-CE2 3.46Å; N24-F69 WeakPolarHBondContact O-CZ 3.36Å; N24-E223 WeakPolarHBondContact CB-OE1 3.46Å; N24-E223 PolarHBondContact ND2-OE1 3.49Å
25A97.3Very high97.6Very high29 Ų2957.3 Ų57.324%0.2430%0.298CS..  trans-57.7148.5169.200000110.6D22 R66 G219D22-A25 HydrophobicContact CB-CB 4.09Å; D22-A25 WeakPolarHBondContact O-CB 3.14Å; D22-A25 PolarHBondContact O-N 3.41Å; D22-A25 PolarHBondContact OD1-N 2.83Å; A25-R66 PolarHBondContact O-NH1 2.79Å; A25-G219 CarbonylContact C-O 3.58Å; A25-G219 WeakPolarHBondContact CA-O 3.42Å
26V97.6Very high97.5Very high1 Ų158.6 Ų58.61%0.00631%0.305CS..  trans-110.2140.6178.9-51.40000109.3D31 Y32 I62 F69 W172 G219V26-D31 VanDerWaalsContact CA-OD2 3.32Å; V26-D31 WeakPolarHBondContact CA-OD2 3.4Å; V26-D31 HydrophobicContact CB-CB 3.73Å; V26-D31 HydrophobicContact CG1-CB 4.48Å; V26-Y32 HydrophobicContact CB-CD1 4.47Å; V26-Y32 HydrophobicContact CG2-CD1 3.76Å; V26-Y32 HydrophobicContact CG2-CE1 4.05Å; V26-I62 HydrophobicContact CB-CD1 4.28Å; V26-I62 HydrophobicContact CG1-CD1 3.58Å; V26-I62 HydrophobicContact CG1-CG1 4.38Å; V26-F69 HydrophobicContact CG1-CE1 4.19Å; V26-F69 HydrophobicContact CG1-CZ 3.88Å; V26-W172 HydrophobicContact CG1-CH2 4.37Å; V26-W172 HydrophobicContact CG1-CZ2 4.3Å; V26-W172 HydrophobicContact CG2-CH2 3.61Å; V26-W172 HydrophobicContact CG2-CZ2 3.49Å; V26-W172 VanDerWaalsContact CG2-CZ2 3.49Å; V26-G219 VanDerWaalsContact CG2-CA 3.5Å; V26-G219 PolarHBondContact N-O 3.08Å; V26-G219 WeakPolarHBondContact O-CA 3.36Å
27L95.9Very high97.3Very high92 Ų9259.4 Ų59.448%0.48231%0.307SS..  trans-105.9134.7-167.1-61.4177.1000112.4K30 D31 Y32L27-K30 HydrophobicContact CB-CB 4.29Å; L27-K30 HydrophobicContact CD1-CD 4.43Å; L27-K30 PolarHBondContact O-N 3.24Å; L27-D31 PolarHBondContact N-OD2 3.47Å; L27-D31 PolarHBondContact O-N 2.99Å; L27-Y32 PolarHBondContact O-N 2.91Å
28P95.9Very high97.1Very high76 Ų7658.5 Ų58.549%0.49431%0.305SS..BIsolated β-bridgetrans-62.6140.4174.426-33.4000111K30 Y32P28-K30 PolarHBondContact O-N 3.1Å; P28-Y32 HydrophobicContact CB-CE1 4.13Å; P28-Y32 HydrophobicContact CB-CE2 4.11Å
29G94Very high96.9Very high77 Ų7763.6 Ų63.679%0.79433%0.329SS*.THydrogen-bonded Turntrans76.1-6.4-178.900000114.9Y32G29-Y32 PolarHBondContact N-O 3.46Å
30K96.2Very high96.6Very high144 Ų14460.5 Ų60.563%0.62632%0.317SS*.THydrogen-bonded Turntrans-116.3-61.4172.8-178.2-168.2169.9-168.90111.1L27 P28L27-K30 HydrophobicContact CB-CB 4.29Å; L27-K30 HydrophobicContact CD1-CD 4.43Å; L27-K30 PolarHBondContact O-N 3.24Å; P28-K30 PolarHBondContact O-N 3.1Å
31D97.7Very high95.8Very high5 Ų558.2 Ų58.23%0.02731%0.313CS..THydrogen-bonded Turntrans-97.9-20.2-172.8-54-42.4000111.5V26 L27 V58 D59 R66V26-D31 VanDerWaalsContact CA-OD2 3.32Å; V26-D31 WeakPolarHBondContact CA-OD2 3.4Å; V26-D31 HydrophobicContact CB-CB 3.73Å; V26-D31 HydrophobicContact CG1-CB 4.48Å; L27-D31 PolarHBondContact N-OD2 3.47Å; L27-D31 PolarHBondContact O-N 2.99Å; D31-V58 CarbonylContact O-C 3.51Å; D31-V58 WeakPolarHBondContact O-CA 3.32Å; D31-D59 PolarHBondContact O-N 3.43Å; D31-R66 IonicContact OD1-NH2 3.85Å; D31-R66 IonicContact OD2-NH2 2.67Å
32Y98.2Very high94.3Very high4 Ų464 Ų642%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-152.3160.9172.773.5-85.8000112.5V26 L27 P28 G29 L34 F57 I218V26-Y32 HydrophobicContact CB-CD1 4.47Å; V26-Y32 HydrophobicContact CG2-CD1 3.76Å; V26-Y32 HydrophobicContact CG2-CE1 4.05Å; L27-Y32 PolarHBondContact O-N 2.91Å; P28-Y32 HydrophobicContact CB-CE1 4.13Å; P28-Y32 HydrophobicContact CB-CE2 4.11Å; G29-Y32 PolarHBondContact N-O 3.46Å; Y32-L34 HydrophobicContact CD2-CD2 3.84Å; Y32-L34 HydrophobicContact CD2-CG 3.9Å; Y32-L34 HydrophobicContact CE2-CD1 4Å; Y32-L34 HydrophobicContact CE2-CD2 4.04Å; Y32-L34 HydrophobicContact CE2-CG 3.76Å; Y32-F57 CarbonylContact C-O 3.59Å; Y32-F57 WeakPolarHBondContact CA-O 3.48Å; Y32-F57 WeakPolarHBondContact CB-O 3.38Å; Y32-I218 HydrophobicContact CD2-CG2 3.89Å; Y32-I218 HydrophobicContact CE1-CG2 4.13Å; Y32-I218 HydrophobicContact CE2-CG2 3.44Å; Y32-I218 VanDerWaalsContact CE2-CG2 3.44Å; Y32-I218 HydrophobicContact CG-CG2 4.43Å
33K98Very high92.6Very high102 Ų10271.1 Ų71.144%0.44339%0.385SS..EExtended strand (participates in β ladder)trans-138.3136.8170.7-171.2-178.5174.1-151.30109.6E56 F57K33-E56 HydrophobicContact CB-CB 4.47Å; K33-E56 VanDerWaalsContact CD-OE2 3.29Å; K33-E56 WeakPolarHBondContact CD-OE2 3.28Å; K33-E56 WeakPolarHBondContact CE-OE2 3.42Å; K33-E56 HydrophobicContact CG-CB 4.48Å; K33-E56 IonicContact NZ-OE1 2.77Å; K33-E56 PolarHBondContact NZ-OE1 3.36Å; K33-E56 IonicContact NZ-OE2 2.69Å; K33-E56 PolarHBondContact NZ-OE2 3.33Å; K33-E56 PolarHBondContact O-N 2.76Å; K33-F57 HydrophobicContact CB-CB 4.12Å; K33-F57 PolarHBondContact N-O 3.49Å; K33-F57 PolarHBondContact O-N 3.43Å; K33-F57 VanDerWaalsContact O-N 3.13Å
34L98.1Very high90.8Very high24 Ų2469.7 Ų69.713%0.12638%0.382CS..EExtended strand (participates in β ladder)trans-103.4145.6179.2-55.4178.5000110.9Y32 L36 L54 F55 I199 I218Y32-L34 HydrophobicContact CD2-CD2 3.84Å; Y32-L34 HydrophobicContact CD2-CG 3.9Å; Y32-L34 HydrophobicContact CE2-CD1 4Å; Y32-L34 HydrophobicContact CE2-CD2 4.04Å; Y32-L34 HydrophobicContact CE2-CG 3.76Å; L34-L36 HydrophobicContact CB-CD2 4.08Å; L34-L36 HydrophobicContact CD1-CD2 4.11Å; L34-L54 CarbonylContact C-O 3.47Å; L34-L54 WeakPolarHBondContact CA-O 3.3Å; L34-F55 HydrophobicContact CD2-CD1 3.61Å; L34-F55 HydrophobicContact CD2-CE1 3.62Å; L34-F55 HydrophobicContact CD2-CG 4.25Å; L34-F55 HydrophobicContact CD2-CZ 4.26Å; L34-I199 HydrophobicContact CD1-CD1 3.78Å; L34-I218 HydrophobicContact CD1-CD1 3.49Å; L34-I218 VanDerWaalsContact CD1-CD1 3.49Å; L34-I218 HydrophobicContact CD2-CD1 3.88Å; L34-I218 HydrophobicContact CD2-CG2 4.38Å; L34-I218 HydrophobicContact CG-CD1 4.34Å
35N97.4Very high89.4Confident51 Ų5171.9 Ų71.927%0.27340%0.4SS..  trans-112.987.8165.417925.3000108.2Q37 D52 L54 E56N35-Q37 VanDerWaalsContact C-N 3.28Å; N35-Q37 PolarHBondContact O-N 3.31Å; N35-Q37 PolarHBondContact O-NE2 3.3Å; N35-Q37 WeakPolarHBondContact OD1-CG 3.44Å; N35-D52 WeakPolarHBondContact ND2-CB 3.36Å; N35-L54 PolarHBondContact N-O 3.1Å; N35-E56 HydrophobicContact CB-CB 4.18Å
36L96.5Very high88.8Confident27 Ų2773.8 Ų73.814%0.14140%0.403CS..  trans-66.4-27.7-173.5-64.3-172.1000113.8L34 E38 L54 Y186 W189 E196 I199L34-L36 HydrophobicContact CB-CD2 4.08Å; L34-L36 HydrophobicContact CD1-CD2 4.11Å; L36-E38 PolarHBondContact O-N 2.88Å; L36-L54 HydrophobicContact CD2-CD1 3.79Å; L36-Y186 PolarHBondContact O-OH 3.47Å; L36-W189 VanDerWaalsContact O-CD1 3.24Å; L36-E196 HydrophobicContact CD1-CG 3.99Å; L36-I199 HydrophobicContact CD2-CD1 3.46Å; L36-I199 VanDerWaalsContact CD2-CD1 3.46Å
37Q95.8Very high88.3Confident44 Ų4477 Ų7721%0.20642%0.422CS..  trans51.8-135.2-177.9-59168.183.400111.9N35 S50 P51 D52N35-Q37 VanDerWaalsContact C-N 3.28Å; N35-Q37 PolarHBondContact O-N 3.31Å; N35-Q37 PolarHBondContact O-NE2 3.3Å; N35-Q37 WeakPolarHBondContact OD1-CG 3.44Å; Q37-S50 WeakPolarHBondContact CB-OG 3.42Å; Q37-S50 PolarHBondContact OE1-O 3.21Å; Q37-P51 VanDerWaalsContact OE1-N 3.14Å; Q37-D52 PolarHBondContact NE2-O 3.06Å
38E94.6Very high88.1Confident113 Ų11375.3 Ų75.353%0.52841%0.414SS..PPolyproline II helixtrans-82.9138.9-167.1-67.6-59.9153.200113.4L36 L49 S50 G188 W189L36-E38 PolarHBondContact O-N 2.88Å; E38-L49 HydrophobicContact CB-CB 3.84Å; E38-L49 WeakPolarHBondContact CB-O 3.21Å; E38-L49 HydrophobicContact CG-CB 4.17Å; E38-L49 WeakPolarHBondContact CG-O 3.49Å; E38-S50 PolarHBondContact N-OG 3.39Å; E38-G188 WeakPolarHBondContact O-CA 3.34Å; E38-W189 PolarHBondContact O-N 2.93Å
39Q94.4Very high87.9Confident107 Ų10775.4 Ų75.450%0.541%0.41SS..BIsolated β-bridgetrans-81.5124.7167.8-170.3176.8-1.700109.2W189Q39-W189 CarbonylContact C-O 3.59Å; Q39-W189 WeakPolarHBondContact CA-O 3.42Å; Q39-W189 HydrophobicContact CB-CD2 4.2Å; Q39-W189 HydrophobicContact CB-CH2 3.98Å; Q39-W189 HydrophobicContact CB-CZ2 3.52Å; Q39-W189 HydrophobicContact CB-CZ3 4.48Å; Q39-W189 VanDerWaalsContact CD-CZ3 3.48Å; Q39-W189 HydrophobicContact CG-CD2 4.02Å; Q39-W189 HydrophobicContact CG-CE3 3.93Å; Q39-W189 HydrophobicContact CG-CH2 3.59Å; Q39-W189 HydrophobicContact CG-CZ2 3.68Å; Q39-W189 HydrophobicContact CG-CZ3 3.71Å
40L90.9Very high87.9Confident13 Ų1371.8 Ų71.87%0.06837%0.372CS..PPolyproline II helixtrans-83131.8178-55.6179.7000111L49 W189 K190 E202L40-L49 HydrophobicContact CD2-CB 4.04Å; L40-L49 HydrophobicContact CD2-CD1 3.77Å; L40-L49 HydrophobicContact CD2-CG 4.11Å; L40-W189 PolarHBondContact N-O 2.88Å; L40-K190 HydrophobicContact CB-CG 4.01Å; L40-K190 HydrophobicContact CD1-CG 4.46Å; L40-E202 HydrophobicContact CD1-CB 3.47Å; L40-E202 VanDerWaalsContact CD1-CB 3.47Å; L40-E202 HydrophobicContact CD1-CG 4.27Å
41D82.2Confident87.8Confident116 Ų11669.7 Ų69.762%0.6237%0.374SS*.PPolyproline II helixtrans-70.4148.9169-83-25.7000111.2L43D41-L43 PolarHBondContact O-N 3.47Å
42T66.5Low87.8Confident129 Ų12973.8 Ų73.879%0.79140%0.395SS*.THydrogen-bonded Turntrans-70.3-12.1-175.554.60000114.1
43L62Low87.8Confident163 Ų16376.7 Ų76.785%0.85342%0.415SS*.THydrogen-bonded Turntrans-102.1-10.5-171.7-70.8165.5000113.9D41D41-L43 PolarHBondContact O-N 3.47Å
44D60.4Low87.8Confident110 Ų11071.9 Ų71.959%0.58839%0.394SS*.  trans-88.6153.4-166.5-93.6-34.7000115.3
45S68.5Low87.8Confident83 Ų8371.2 Ų71.258%0.5839%0.39SS*.  trans-56.4149169.747.60000111.5V47S45-V47 VanDerWaalsContact C-N 3.28Å; S45-V47 WeakPolarHBondContact O-CG2 3.3Å; S45-V47 PolarHBondContact O-N 3.31Å; S45-V47 WeakPolarHBondContact OG-CG2 3.45Å
46F83.3Confident87.9Confident69 Ų6973.9 Ų73.930%0.30340%0.401SS..SBendtrans-63.681.2179.6-162.4-82.1000111.2Y187 E202 Y203 I204 N210 P212F46-Y187 AromaticContact CD1-CD2 3.91Å; F46-Y187 HydrophobicContact CD1-CD2 3.91Å; F46-Y187 AromaticContact CD1-CE2 3.53Å; F46-Y187 HydrophobicContact CD1-CE2 3.53Å; F46-Y187 AromaticContact CE1-CD2 3.55Å; F46-Y187 HydrophobicContact CE1-CD2 3.55Å; F46-Y187 AromaticContact CE1-CE2 3.25Å; F46-Y187 HydrophobicContact CE1-CE2 3.25Å; F46-Y187 AromaticContact CE1-CZ 3.99Å; F46-Y187 HydrophobicContact CZ-CD2 4.12Å; F46-Y187 HydrophobicContact CZ-CE2 4.22Å; F46-E202 WeakPolarHBondContact CA-OE1 3.44Å; F46-E202 HydrophobicContact CD2-CG 3.83Å; F46-E202 WeakPolarHBondContact CD2-OE1 3.5Å; F46-E202 HydrophobicContact CE2-CG 3.24Å; F46-E202 WeakPolarHBondContact CE2-OE1 3.22Å; F46-E202 WeakPolarHBondContact CG-OE1 3.46Å; F46-E202 HydrophobicContact CZ-CG 3.68Å; F46-Y203 WeakPolarHBondContact CZ-O 3.38Å; F46-I204 HydrophobicContact CD1-CG2 4.47Å; F46-I204 HydrophobicContact CE1-CG2 3.34Å; F46-I204 HydrophobicContact CZ-CG2 3.72Å; F46-N210 HydrophobicContact CD1-CB 4.27Å; F46-N210 HydrophobicContact CD2-CB 4.13Å; F46-N210 HydrophobicContact CE1-CB 3.8Å; F46-N210 HydrophobicContact CE2-CB 3.59Å; F46-N210 HydrophobicContact CG-CB 4.46Å; F46-N210 HydrophobicContact CZ-CB 3.45Å; F46-N210 VanDerWaalsContact CZ-CB 3.45Å; F46-P212 HydrophobicContact CD2-CB 4.48Å; F46-P212 HydrophobicContact CE2-CB 4.41Å
47V87.5Confident87.9Confident68 Ų6877.4 Ų77.441%0.41242%0.415SS..  trans-122.5136.6-171.4174.50000108.9S45 L49S45-V47 VanDerWaalsContact C-N 3.28Å; S45-V47 WeakPolarHBondContact O-CG2 3.3Å; S45-V47 PolarHBondContact O-N 3.31Å; S45-V47 WeakPolarHBondContact OG-CG2 3.45Å; V47-L49 HydrophobicContact CG1-CD2 4Å; V47-L49 HydrophobicContact CG1-CG 4.47Å; V47-L49 PolarHBondContact O-N 3.22Å
48D92.3Very high88Confident57 Ų5775.6 Ų75.631%0.30541%0.407SS..  trans-74.2109.2175.3-169.8-9.8000109.9S50 N185 Y187D48-S50 VanDerWaalsContact OD1-C 3.3Å; D48-S50 PolarHBondContact OD1-N 3.45Å; D48-N185 PolarHBondContact OD2-ND2 2.94Å; D48-Y187 HydrophobicContact CB-CD1 3.83Å; D48-Y187 HydrophobicContact CB-CD2 4.13Å; D48-Y187 HydrophobicContact CB-CE1 3.75Å; D48-Y187 HydrophobicContact CB-CE2 4.02Å; D48-Y187 HydrophobicContact CB-CG 4.03Å
49L91.8Very high88.2Confident78 Ų7872.7 Ų72.741%0.40840%0.395SS..  trans-107.73.4174.1-61.9-175.4000111.9E38 L40 V47 Y187E38-L49 HydrophobicContact CB-CB 3.84Å; E38-L49 WeakPolarHBondContact CB-O 3.21Å; E38-L49 HydrophobicContact CG-CB 4.17Å; E38-L49 WeakPolarHBondContact CG-O 3.49Å; L40-L49 HydrophobicContact CD2-CB 4.04Å; L40-L49 HydrophobicContact CD2-CD1 3.77Å; L40-L49 HydrophobicContact CD2-CG 4.11Å; V47-L49 HydrophobicContact CG1-CD2 4Å; V47-L49 HydrophobicContact CG1-CG 4.47Å; V47-L49 PolarHBondContact O-N 3.22Å; L49-Y187 PolarHBondContact N-O 3.14Å
50S94.7Very high88.3Confident0 Ų070.1 Ų70.10%038%0.383CS..  trans-133.478.8-173.7-61.40000109.4Q37 E38 D48 D52 Y187 G188Q37-S50 WeakPolarHBondContact CB-OG 3.42Å; Q37-S50 PolarHBondContact OE1-O 3.21Å; E38-S50 PolarHBondContact N-OG 3.39Å; D48-S50 VanDerWaalsContact OD1-C 3.3Å; D48-S50 PolarHBondContact OD1-N 3.45Å; S50-D52 PolarHBondContact O-N 3.36Å; S50-D52 VanDerWaalsContact O-N 3.15Å; S50-Y187 WeakPolarHBondContact CB-O 3.28Å; S50-Y187 PolarHBondContact N-O 3Å; S50-Y187 PolarHBondContact OG-O 3.49Å; S50-Y187 VanDerWaalsContact OG-O 3.1Å; S50-G188 VanDerWaalsContact OG-CA 3.29Å; S50-G188 WeakPolarHBondContact OG-CA 3.45Å; S50-G188 PolarHBondContact OG-N 3.07Å
51P93.8Very high88.7Confident101 Ų10173.6 Ų73.666%0.65640%0.402SS*.  trans-68.3-14.6-170.829.2-37000114.7Q37Q37-P51 VanDerWaalsContact OE1-N 3.14Å
52D97.7Very high89.4Confident90 Ų9068.4 Ų68.448%0.48137%0.374SS..SBendtrans-99.4163.6179.2-64.2-49.8000111.5N35 Q37 S50N35-D52 WeakPolarHBondContact ND2-CB 3.36Å; Q37-D52 PolarHBondContact NE2-O 3.06Å; S50-D52 PolarHBondContact O-N 3.36Å; S50-D52 VanDerWaalsContact O-N 3.15Å
53P98Very high90.9Very high66 Ų6663 Ų6343%0.42934%0.34SS..  trans-59.5145.2170.5-27.537.7000113.4F55 E179P53-F55 VanDerWaalsContact C-N 3.34Å; P53-E179 WeakPolarHBondContact CA-OE1 3.18Å; P53-E179 HydrophobicContact CB-CG 3.86Å
54L98.2Very high92.5Very high0 Ų062.2 Ų62.20%033%0.329CS..SBendtrans-61.6-41.6169.2172.861.7000111.4L34 N35 L36 E56 F175 E179 Y186 I201L34-L54 CarbonylContact C-O 3.47Å; L34-L54 WeakPolarHBondContact CA-O 3.3Å; N35-L54 PolarHBondContact N-O 3.1Å; L36-L54 HydrophobicContact CD2-CD1 3.79Å; L54-E56 PolarHBondContact O-N 2.97Å; L54-F175 HydrophobicContact CB-CE1 4.28Å; L54-F175 HydrophobicContact CD2-CD1 4.46Å; L54-F175 HydrophobicContact CD2-CE1 3.96Å; L54-E179 WeakPolarHBondContact CB-OE1 3.38Å; L54-E179 VanDerWaalsContact N-CD 3.28Å; L54-E179 PolarHBondContact N-OE1 2.82Å; L54-E179 PolarHBondContact N-OE2 3.25Å; L54-Y186 HydrophobicContact CB-CD1 3.84Å; L54-Y186 HydrophobicContact CB-CD2 4.22Å; L54-Y186 HydrophobicContact CB-CE1 4.2Å; L54-Y186 HydrophobicContact CB-CG 3.82Å; L54-Y186 HydrophobicContact CD1-CE1 4.16Å; L54-Y186 HydrophobicContact CD1-CE2 4.36Å; L54-Y186 HydrophobicContact CD2-CD2 4.45Å; L54-Y186 HydrophobicContact CD2-CE2 4.45Å; L54-I201 HydrophobicContact CD2-CD1 4.48Å; L54-I201 HydrophobicContact CD2-CG2 4.46Å
55F98.4Very high94.2Very high10 Ų1062.8 Ų62.84%0.04433%0.332CS..EExtended strand (participates in β ladder)trans-90.3103.1177.7-71.2-88.3000110.4L34 P53 F57 V58 W172 F175 Y176 E179 I218L34-F55 HydrophobicContact CD2-CD1 3.61Å; L34-F55 HydrophobicContact CD2-CE1 3.62Å; L34-F55 HydrophobicContact CD2-CG 4.25Å; L34-F55 HydrophobicContact CD2-CZ 4.26Å; P53-F55 VanDerWaalsContact C-N 3.34Å; F55-F57 VanDerWaalsContact C-N 3.32Å; F55-V58 HydrophobicContact CB-CG2 4.41Å; F55-V58 HydrophobicContact CD1-CG2 3.63Å; F55-V58 HydrophobicContact CE1-CG2 4.31Å; F55-V58 HydrophobicContact CG-CG2 4.31Å; F55-W172 AromaticContact CE1-CE3 4Å; F55-W172 HydrophobicContact CE1-CE3 4Å; F55-W172 HydrophobicContact CZ-CB 4.13Å; F55-W172 HydrophobicContact CZ-CE3 4.14Å; F55-F175 HydrophobicContact CD2-CD1 4.13Å; F55-F175 AromaticContact CE2-CD1 3.71Å; F55-F175 HydrophobicContact CE2-CD1 3.71Å; F55-F175 HydrophobicContact CE2-CE1 4.4Å; F55-Y176 HydrophobicContact CB-CD2 3.53Å; F55-Y176 HydrophobicContact CB-CE2 4.02Å; F55-Y176 HydrophobicContact CD1-CD2 4.1Å; F55-Y176 HydrophobicContact CD2-CD2 4.1Å; F55-Y176 AromaticContact CG-CD2 3.65Å; F55-Y176 HydrophobicContact CG-CD2 3.65Å; F55-Y176 HydrophobicContact CG-CG 4.39Å; F55-E179 WeakPolarHBondContact CB-OE2 3.22Å; F55-E179 WeakPolarHBondContact CD2-OE2 3.5Å; F55-E179 PolarHBondContact N-OE2 2.65Å; F55-I218 HydrophobicContact CE1-CG2 3.96Å; F55-I218 HydrophobicContact CZ-CD1 4.17Å; F55-I218 HydrophobicContact CZ-CG1 4.26Å; F55-I218 HydrophobicContact CZ-CG2 4.29Å
56E97.7Very high95.6Very high107 Ų10760.8 Ų60.850%0.531%0.312SS..EExtended strand (participates in β ladder)trans-66.9-38.4171.3-169.3-174.7147.100111K33 N35 L54K33-E56 HydrophobicContact CB-CB 4.47Å; K33-E56 VanDerWaalsContact CD-OE2 3.29Å; K33-E56 WeakPolarHBondContact CD-OE2 3.28Å; K33-E56 WeakPolarHBondContact CE-OE2 3.42Å; K33-E56 HydrophobicContact CG-CB 4.48Å; K33-E56 IonicContact NZ-OE1 2.77Å; K33-E56 PolarHBondContact NZ-OE1 3.36Å; K33-E56 IonicContact NZ-OE2 2.69Å; K33-E56 PolarHBondContact NZ-OE2 3.33Å; K33-E56 PolarHBondContact O-N 2.76Å; N35-E56 HydrophobicContact CB-CB 4.18Å; L54-E56 PolarHBondContact O-N 2.97Å
57F97.5Very high96.3Very high101 Ų10160.7 Ų60.744%0.44332%0.318SS..EExtended strand (participates in β ladder)trans-154.5142.8-177.2171.2-100.7000111.9Y32 K33 F55 D59Y32-F57 CarbonylContact C-O 3.59Å; Y32-F57 WeakPolarHBondContact CA-O 3.48Å; Y32-F57 WeakPolarHBondContact CB-O 3.38Å; K33-F57 HydrophobicContact CB-CB 4.12Å; K33-F57 PolarHBondContact N-O 3.49Å; K33-F57 PolarHBondContact O-N 3.43Å; K33-F57 VanDerWaalsContact O-N 3.13Å; F55-F57 VanDerWaalsContact C-N 3.32Å; F57-D59 HydrophobicContact CE1-CB 4.12Å; F57-D59 HydrophobicContact CZ-CB 3.87Å
58V98.3Very high96.8Very high6 Ų657.6 Ų57.64%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-140.1132.6163.3-1790000108.1D31 F55 E60 I62 F63 W172 Y176D31-V58 CarbonylContact O-C 3.51Å; D31-V58 WeakPolarHBondContact O-CA 3.32Å; F55-V58 HydrophobicContact CB-CG2 4.41Å; F55-V58 HydrophobicContact CD1-CG2 3.63Å; F55-V58 HydrophobicContact CE1-CG2 4.31Å; F55-V58 HydrophobicContact CG-CG2 4.31Å; V58-E60 PolarHBondContact O-N 2.73Å; V58-E60 VanDerWaalsContact O-N 3.09Å; V58-I62 HydrophobicContact CG1-CD1 3.96Å; V58-F63 HydrophobicContact CG1-CE1 4.41Å; V58-F63 HydrophobicContact CG1-CE2 4.07Å; V58-F63 HydrophobicContact CG1-CZ 3.67Å; V58-W172 HydrophobicContact CG1-CZ3 4.24Å; V58-Y176 HydrophobicContact CB-CD1 4.44Å; V58-Y176 HydrophobicContact CB-CD2 4.19Å; V58-Y176 HydrophobicContact CB-CE1 4.07Å; V58-Y176 HydrophobicContact CB-CE2 3.75Å; V58-Y176 HydrophobicContact CB-CG 4.49Å; V58-Y176 HydrophobicContact CG1-CE1 4.47Å; V58-Y176 HydrophobicContact CG2-CD1 4.29Å; V58-Y176 HydrophobicContact CG2-CD2 3.44Å; V58-Y176 VanDerWaalsContact CG2-CD2 3.44Å; V58-Y176 HydrophobicContact CG2-CE1 4.31Å; V58-Y176 HydrophobicContact CG2-CE2 3.42Å; V58-Y176 VanDerWaalsContact CG2-CE2 3.42Å; V58-Y176 HydrophobicContact CG2-CG 3.86Å
59D98.1Very high97.1Very high53 Ų5354.9 Ų54.928%0.28329%0.285SS..  trans-72.395.6172.1178.39.6000110D31 F57 D61 I62D31-D59 PolarHBondContact O-N 3.43Å; F57-D59 HydrophobicContact CE1-CB 4.12Å; F57-D59 HydrophobicContact CZ-CB 3.87Å; D59-D61 PolarHBondContact O-N 3.48Å; D59-D61 VanDerWaalsContact O-N 3.13Å; D59-D61 WeakPolarHBondContact OD1-CB 3.46Å; D59-D61 PolarHBondContact OD1-N 3.22Å; D59-D61 VanDerWaalsContact OD1-N 3.1Å; D59-I62 HydrophobicContact CB-CG2 4.33Å; D59-I62 WeakPolarHBondContact O-CD1 3.25Å; D59-I62 WeakPolarHBondContact O-CG1 3.49Å; D59-I62 WeakPolarHBondContact O-CG2 3.17Å; D59-I62 PolarHBondContact O-N 3.47Å; D59-I62 VanDerWaalsContact O-N 3.14Å
60E97.7Very high97.4Very high53 Ų5352.9 Ų52.925%0.24828%0.28CS..THydrogen-bonded Turntrans-69.2-8.9-176.5-60.1-163.5144.100114.5V58 I62 F63 Y176 K180V58-E60 PolarHBondContact O-N 2.73Å; V58-E60 VanDerWaalsContact O-N 3.09Å; E60-I62 PolarHBondContact O-N 3.23Å; E60-F63 HydrophobicContact CB-CD2 3.93Å; E60-F63 HydrophobicContact CB-CE2 4.41Å; E60-F63 HydrophobicContact CG-CD2 4Å; E60-F63 HydrophobicContact CG-CE2 4.01Å; E60-F63 WeakPolarHBondContact O-CB 3.29Å; E60-F63 PolarHBondContact O-N 3.07Å; E60-Y176 HydrophobicContact CG-CE1 4.33Å; E60-Y176 WeakPolarHBondContact OE1-CE1 3.48Å; E60-Y176 PolarHBondContact OE1-OH 3.27Å; E60-Y176 VanDerWaalsContact OE1-OH 3.09Å; E60-K180 WeakPolarHBondContact OE1-CD 3.33Å; E60-K180 IonicContact OE1-NZ 3.11Å; E60-K180 PolarHBondContact OE1-NZ 3.09Å; E60-K180 IonicContact OE2-NZ 3.43Å; E60-K180 PolarHBondContact OE2-NZ 3.42Å
61D97.8Very high97.6Very high85 Ų8556.1 Ų56.146%0.45529%0.294SS..Hα-helixtrans-64.7-25.8172-77.4-12.4000110.9D59 F63 K64 N65D59-D61 PolarHBondContact O-N 3.48Å; D59-D61 VanDerWaalsContact O-N 3.13Å; D59-D61 WeakPolarHBondContact OD1-CB 3.46Å; D59-D61 PolarHBondContact OD1-N 3.22Å; D59-D61 VanDerWaalsContact OD1-N 3.1Å; D61-F63 PolarHBondContact O-N 3.32Å; D61-K64 PolarHBondContact O-N 2.95Å; D61-N65 WeakPolarHBondContact O-CB 3.47Å; D61-N65 VanDerWaalsContact O-CG 3.23Å; D61-N65 PolarHBondContact O-N 3.43Å; D61-N65 PolarHBondContact O-ND2 3.2Å
62I97Very high97.9Very high7 Ų751.3 Ų51.34%0.03626%0.263CS..Hα-helixtrans-61.8-32.2172.977.6-158.8000111.8V26 V58 D59 E60 K64 R66 W172V26-I62 HydrophobicContact CB-CD1 4.28Å; V26-I62 HydrophobicContact CG1-CD1 3.58Å; V26-I62 HydrophobicContact CG1-CG1 4.38Å; V58-I62 HydrophobicContact CG1-CD1 3.96Å; D59-I62 HydrophobicContact CB-CG2 4.33Å; D59-I62 WeakPolarHBondContact O-CD1 3.25Å; D59-I62 WeakPolarHBondContact O-CG1 3.49Å; D59-I62 WeakPolarHBondContact O-CG2 3.17Å; D59-I62 PolarHBondContact O-N 3.47Å; D59-I62 VanDerWaalsContact O-N 3.14Å; E60-I62 PolarHBondContact O-N 3.23Å; I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 3.08Å; I62-R66 VanDerWaalsContact O-CB 3.25Å; I62-R66 WeakPolarHBondContact O-CB 3.43Å; I62-R66 WeakPolarHBondContact O-CG 3.47Å; I62-R66 PolarHBondContact O-N 3.16Å; I62-R66 VanDerWaalsContact O-N 3.16Å; I62-W172 HydrophobicContact CD1-CH2 4.43Å
63F98Very high97.9Very high16 Ų1649 Ų497%0.0725%0.25CS..Hα-helixtrans-71.9-26.7179.7-61.3-28.4000112.9V58 E60 D61 F69 A70 I73 W172 I173 Y176 L177V58-F63 HydrophobicContact CG1-CE1 4.41Å; V58-F63 HydrophobicContact CG1-CE2 4.07Å; V58-F63 HydrophobicContact CG1-CZ 3.67Å; E60-F63 HydrophobicContact CB-CD2 3.93Å; E60-F63 HydrophobicContact CB-CE2 4.41Å; E60-F63 HydrophobicContact CG-CD2 4Å; E60-F63 HydrophobicContact CG-CE2 4.01Å; E60-F63 WeakPolarHBondContact O-CB 3.29Å; E60-F63 PolarHBondContact O-N 3.07Å; D61-F63 PolarHBondContact O-N 3.32Å; F63-F69 HydrophobicContact CD1-CB 4.41Å; F63-F69 AromaticContact CD1-CD1 3.66Å; F63-F69 HydrophobicContact CD1-CD1 3.66Å; F63-F69 HydrophobicContact CD1-CE1 4.41Å; F63-F69 HydrophobicContact CD1-CG 4.46Å; F63-F69 AromaticContact CE1-CD1 3.9Å; F63-F69 HydrophobicContact CE1-CD1 3.9Å; F63-F69 HydrophobicContact CE1-CE1 4.26Å; F63-A70 WeakPolarHBondContact O-CA 3.37Å; F63-A70 VanDerWaalsContact O-CB 3.3Å; F63-A70 WeakPolarHBondContact O-CB 3.27Å; F63-A70 PolarHBondContact O-N 3.5Å; F63-I73 HydrophobicContact CB-CD1 3.56Å; F63-I73 HydrophobicContact CD1-CD1 3.67Å; F63-I73 HydrophobicContact CD2-CD1 4.06Å; F63-I73 HydrophobicContact CE1-CD1 4.35Å; F63-I73 HydrophobicContact CG-CD1 3.49Å; F63-I73 VanDerWaalsContact CG-CD1 3.49Å; F63-W172 HydrophobicContact CE1-CH2 4.03Å; F63-W172 HydrophobicContact CE1-CZ3 4.35Å; F63-W172 HydrophobicContact CZ-CH2 4.38Å; F63-W172 HydrophobicContact CZ-CZ3 4.26Å; F63-I173 HydrophobicContact CE1-CG2 4.05Å; F63-I173 HydrophobicContact CZ-CG2 4.32Å; F63-Y176 AromaticContact CE2-CD1 3.77Å; F63-Y176 HydrophobicContact CE2-CD1 3.77Å; F63-Y176 AromaticContact CE2-CE1 3.62Å; F63-Y176 HydrophobicContact CE2-CE1 3.62Å; F63-Y176 AromaticContact CZ-CD1 3.87Å; F63-Y176 HydrophobicContact CZ-CD1 3.87Å; F63-Y176 HydrophobicContact CZ-CE1 4.15Å; F63-L177 HydrophobicContact CE2-CD2 4.38Å
64K95.3Very high97.9Very high146 Ų14647.5 Ų47.564%0.63524%0.243SC*.Hα-helixtrans-93.2-39.9179.4-60.5172.8-170.1159.70111.6D61 I62D61-K64 PolarHBondContact O-N 2.95Å; I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 3.08Å
65N96.6Very high97.9Very high123 Ų12347.5 Ų47.566%0.65824%0.243SC*.Hα-helixtrans-87.9-17.9-169.9-64-26.5000113.4D61D61-N65 WeakPolarHBondContact O-CB 3.47Å; D61-N65 VanDerWaalsContact O-CG 3.23Å; D61-N65 PolarHBondContact O-N 3.43Å; D61-N65 PolarHBondContact O-ND2 3.2Å
66R97.6Very high97.9Very high40 Ų4047.7 Ų47.715%0.15125%0.245CC..SBendtrans-101.4111.5175.9-56.1179.6-167.4-169.14.3109.2N24 A25 D31 I62 T68 F69 A70N24-R66 PolarHBondContact O-NH1 3.15Å; A25-R66 PolarHBondContact O-NH1 2.79Å; D31-R66 IonicContact OD1-NH2 3.85Å; D31-R66 IonicContact OD2-NH2 2.67Å; I62-R66 VanDerWaalsContact O-CB 3.25Å; I62-R66 WeakPolarHBondContact O-CB 3.43Å; I62-R66 WeakPolarHBondContact O-CG 3.47Å; I62-R66 PolarHBondContact O-N 3.16Å; I62-R66 VanDerWaalsContact O-N 3.16Å; R66-T68 VanDerWaalsContact C-N 3.3Å; R66-T68 PolarHBondContact O-N 3.49Å; R66-F69 HydrophobicContact CB-CB 4.24Å; R66-F69 HydrophobicContact CB-CD2 3.75Å; R66-F69 HydrophobicContact CB-CG 4.27Å; R66-F69 WeakPolarHBondContact O-CB 3.34Å; R66-F69 PolarHBondContact O-N 3.27Å; R66-F69 VanDerWaalsContact O-N 3.07Å; R66-A70 PolarHBondContact O-N 2.75Å; R66-A70 VanDerWaalsContact O-N 3.08Å
67P98.3Very high97.8Very high67 Ų6748.8 Ų48.844%0.43525%0.254SS..Hα-helixtrans-56.7-37.5-172.6-29.536.1000114.8F69 A70 K71 E103P67-F69 PolarHBondContact O-N 2.96Å; P67-A70 PolarHBondContact O-N 3.34Å; P67-K71 WeakPolarHBondContact O-CB 3.47Å; P67-K71 WeakPolarHBondContact O-CG 3.13Å; P67-K71 PolarHBondContact O-N 3.3Å; P67-E103 HydrophobicContact CB-CG 4.01Å; P67-E103 WeakPolarHBondContact CB-OE2 3.31Å
68T98.6Very high97.8Very high3 Ų345 Ų452%0.01824%0.238CC..Hα-helixtrans-66.5-37178.651.40000112.3R66 F72 E103 L104 T107 E223R66-T68 VanDerWaalsContact C-N 3.3Å; R66-T68 PolarHBondContact O-N 3.49Å; T68-F72 WeakPolarHBondContact O-CB 3.48Å; T68-F72 PolarHBondContact O-N 3.22Å; T68-E103 HydrophobicContact CG2-CB 4.05Å; T68-L104 HydrophobicContact CG2-CD2 4.34Å; T68-T107 HydrophobicContact CG2-CG2 3.68Å; T68-E223 WeakPolarHBondContact CB-OE2 3.28Å; T68-E223 WeakPolarHBondContact CG2-OE2 3.35Å; T68-E223 PolarHBondContact OG1-OE1 3.05Å; T68-E223 PolarHBondContact OG1-OE2 2.86Å
69F98.7Very high97.6Very high0 Ų045.8 Ų45.80%024%0.241CC..Hα-helixtrans-67-47.7174.2-77.3-108000111.3N24 V26 F63 R66 P67 K71 F72 I73 W172 I173 P222N24-F69 HydrophobicContact CB-CE2 3.97Å; N24-F69 VanDerWaalsContact O-CE2 3.3Å; N24-F69 WeakPolarHBondContact O-CE2 3.46Å; N24-F69 WeakPolarHBondContact O-CZ 3.36Å; V26-F69 HydrophobicContact CG1-CE1 4.19Å; V26-F69 HydrophobicContact CG1-CZ 3.88Å; F63-F69 HydrophobicContact CD1-CB 4.41Å; F63-F69 AromaticContact CD1-CD1 3.66Å; F63-F69 HydrophobicContact CD1-CD1 3.66Å; F63-F69 HydrophobicContact CD1-CE1 4.41Å; F63-F69 HydrophobicContact CD1-CG 4.46Å; F63-F69 AromaticContact CE1-CD1 3.9Å; F63-F69 HydrophobicContact CE1-CD1 3.9Å; F63-F69 HydrophobicContact CE1-CE1 4.26Å; R66-F69 HydrophobicContact CB-CB 4.24Å; R66-F69 HydrophobicContact CB-CD2 3.75Å; R66-F69 HydrophobicContact CB-CG 4.27Å; R66-F69 WeakPolarHBondContact O-CB 3.34Å; R66-F69 PolarHBondContact O-N 3.27Å; R66-F69 VanDerWaalsContact O-N 3.07Å; P67-F69 PolarHBondContact O-N 2.96Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.01Å; F69-F72 PolarHBondContact O-N 3.32Å; F69-I73 WeakPolarHBondContact O-CB 3.35Å; F69-I73 VanDerWaalsContact O-CG1 3.3Å; F69-I73 WeakPolarHBondContact O-CG1 3.37Å; F69-I73 PolarHBondContact O-N 2.93Å; F69-W172 HydrophobicContact CE1-CH2 4.09Å; F69-W172 AromaticContact CE1-CZ2 3.7Å; F69-W172 HydrophobicContact CE1-CZ2 3.7Å; F69-W172 HydrophobicContact CZ-CZ2 4.25Å; F69-I173 HydrophobicContact CD1-CD1 3.64Å; F69-I173 HydrophobicContact CD1-CG1 4.38Å; F69-I173 HydrophobicContact CE1-CD1 3.57Å; F69-I173 HydrophobicContact CE1-CG1 4.16Å; F69-I173 HydrophobicContact CZ-CD1 4.42Å; F69-P222 HydrophobicContact CD2-CG 4.28Å; F69-P222 VanDerWaalsContact CE2-CD 3.42Å; F69-P222 HydrophobicContact CE2-CG 4.48Å; F69-P222 HydrophobicContact CG-CG 4.36Å
70A98.6Very high97.4Very high37 Ų3746 Ų4631%0.30624%0.242SC..Hα-helixtrans-57.8-46.6179.400000111.7F63 R66 P67 A74F63-A70 WeakPolarHBondContact O-CA 3.37Å; F63-A70 VanDerWaalsContact O-CB 3.3Å; F63-A70 WeakPolarHBondContact O-CB 3.27Å; F63-A70 PolarHBondContact O-N 3.5Å; R66-A70 PolarHBondContact O-N 2.75Å; R66-A70 VanDerWaalsContact O-N 3.08Å; P67-A70 PolarHBondContact O-N 3.34Å; A70-A74 PolarHBondContact O-N 3.03Å
71K98.7Very high97.2Very high67 Ų6745.9 Ų45.929%0.29125%0.245SC..Hα-helixtrans-70.8-35.4178-65.4-56.4-174.3170.20113P67 F69 D99 F100 E103P67-K71 WeakPolarHBondContact O-CB 3.47Å; P67-K71 WeakPolarHBondContact O-CG 3.13Å; P67-K71 PolarHBondContact O-N 3.3Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.01Å; K71-D99 HydrophobicContact CD-CB 3.87Å; K71-D99 HydrophobicContact CG-CB 4.48Å; K71-D99 IonicContact NZ-OD2 3.23Å; K71-D99 PolarHBondContact NZ-OD2 2.96Å; K71-F100 HydrophobicContact CB-CB 4.05Å; K71-F100 HydrophobicContact CB-CD2 3.99Å; K71-E103 HydrophobicContact CG-CG 3.75Å
72F98.8Very high97Very high0 Ų046.5 Ų46.50%025%0.246CC..Hα-helixtrans-62.3-46.6173.7178.6-96.8000111.5T68 F69 A74 L75 L76 F100 F153 F157 N171 I173 P222T68-F72 WeakPolarHBondContact O-CB 3.48Å; T68-F72 PolarHBondContact O-N 3.22Å; F69-F72 PolarHBondContact O-N 3.32Å; F72-A74 VanDerWaalsContact C-N 3.32Å; F72-A74 PolarHBondContact O-N 2.89Å; F72-L75 WeakPolarHBondContact O-CB 3.36Å; F72-L75 PolarHBondContact O-N 2.99Å; F72-L76 HydrophobicContact CD1-CD1 4.04Å; F72-L76 HydrophobicContact CD1-CD2 4.36Å; F72-L76 HydrophobicContact CD1-CG 4.42Å; F72-L76 HydrophobicContact CE1-CD1 3.8Å; F72-L76 HydrophobicContact CE1-CD2 3.8Å; F72-L76 HydrophobicContact CE1-CG 4.22Å; F72-L76 HydrophobicContact CZ-CD2 3.94Å; F72-L76 WeakPolarHBondContact O-CG 3.47Å; F72-F100 HydrophobicContact CB-CD2 4.15Å; F72-F100 HydrophobicContact CB-CE2 3.7Å; F72-F100 HydrophobicContact CB-CZ 4.36Å; F72-F100 HydrophobicContact CD2-CE2 4.06Å; F72-F100 AromaticContact CD2-CZ 3.84Å; F72-F100 HydrophobicContact CD2-CZ 3.84Å; F72-F100 HydrophobicContact CG-CE2 4.39Å; F72-F153 AromaticContact CD2-CE2 3.8Å; F72-F153 HydrophobicContact CD2-CE2 3.8Å; F72-F153 AromaticContact CD2-CZ 3.9Å; F72-F153 HydrophobicContact CD2-CZ 3.9Å; F72-F153 AromaticContact CE2-CE2 3.59Å; F72-F153 HydrophobicContact CE2-CE2 3.59Å; F72-F153 AromaticContact CE2-CZ 3.69Å; F72-F153 HydrophobicContact CE2-CZ 3.69Å; F72-F153 HydrophobicContact CZ-CZ 4.43Å; F72-F157 HydrophobicContact CE2-CB 3.97Å; F72-F157 AromaticContact CE2-CD1 3.78Å; F72-F157 HydrophobicContact CE2-CD1 3.78Å; F72-F157 HydrophobicContact CE2-CD2 4.34Å; F72-F157 HydrophobicContact CE2-CE1 4.42Å; F72-F157 AromaticContact CE2-CG 3.79Å; F72-F157 HydrophobicContact CE2-CG 3.79Å; F72-F157 HydrophobicContact CZ-CB 3.79Å; F72-F157 AromaticContact CZ-CD1 3.75Å; F72-F157 HydrophobicContact CZ-CD1 3.75Å; F72-F157 AromaticContact CZ-CG 3.93Å; F72-F157 HydrophobicContact CZ-CG 3.93Å; F72-N171 WeakPolarHBondContact CE1-OD1 3.3Å; F72-N171 WeakPolarHBondContact CZ-OD1 3.17Å; F72-I173 HydrophobicContact CD1-CB 4.45Å; F72-I173 HydrophobicContact CD1-CD1 3.97Å; F72-I173 HydrophobicContact CD1-CG2 4.3Å; F72-I173 HydrophobicContact CE1-CB 4.03Å; F72-I173 HydrophobicContact CE1-CD1 4.04Å; F72-I173 HydrophobicContact CE1-CG2 4.26Å; F72-P222 HydrophobicContact CB-CB 4.01Å; F72-P222 HydrophobicContact CB-CG 3.74Å; F72-P222 HydrophobicContact CD1-CG 4.28Å; F72-P222 HydrophobicContact CD2-CB 3.89Å; F72-P222 HydrophobicContact CD2-CG 4.23Å; F72-P222 HydrophobicContact CG-CB 4Å; F72-P222 HydrophobicContact CG-CG 3.83Å
73I98.7Very high96.7Very high43 Ų4346.4 Ų46.422%0.22125%0.246CC..Hα-helixtrans-64.4-38.1-178.4-69.7169000111.6F63 F69 L75 L76 I173 L177F63-I73 HydrophobicContact CB-CD1 3.56Å; F63-I73 HydrophobicContact CD1-CD1 3.67Å; F63-I73 HydrophobicContact CD2-CD1 4.06Å; F63-I73 HydrophobicContact CE1-CD1 4.35Å; F63-I73 HydrophobicContact CG-CD1 3.49Å; F63-I73 VanDerWaalsContact CG-CD1 3.49Å; F69-I73 WeakPolarHBondContact O-CB 3.35Å; F69-I73 VanDerWaalsContact O-CG1 3.3Å; F69-I73 WeakPolarHBondContact O-CG1 3.37Å; F69-I73 PolarHBondContact O-N 2.93Å; I73-L75 PolarHBondContact O-N 3.39Å; I73-L75 VanDerWaalsContact O-N 3.13Å; I73-L76 HydrophobicContact CB-CD1 4.48Å; I73-L76 HydrophobicContact CG1-CD1 4.25Å; I73-L76 WeakPolarHBondContact O-CB 3.34Å; I73-L76 PolarHBondContact O-N 3.23Å; I73-I173 HydrophobicContact CD1-CG2 3.98Å; I73-I173 HydrophobicContact CG1-CG2 3.82Å; I73-L177 HydrophobicContact CD1-CD1 4.2Å; I73-L177 HydrophobicContact CG1-CD1 3.92Å; I73-L177 HydrophobicContact CG2-CD1 3.95Å
74A98.2Very high96.5Very high33 Ų3346.5 Ų46.527%0.27325%0.251SS..THydrogen-bonded Turntrans-62.7-13.8174.900000113.9A70 F72 N78A70-A74 PolarHBondContact O-N 3.03Å; F72-A74 VanDerWaalsContact C-N 3.32Å; F72-A74 PolarHBondContact O-N 2.89Å; A74-N78 PolarHBondContact O-ND2 2.96Å
75L98.5Very high96.4Very high0 Ų041.9 Ų41.90%024%0.235CC..THydrogen-bonded Turntrans-85.4-24.4173.6-65.2166.7000112.5F72 I73 D77 N78 Y79 E96 E97 F100 F139 F153F72-L75 WeakPolarHBondContact O-CB 3.36Å; F72-L75 PolarHBondContact O-N 2.99Å; I73-L75 PolarHBondContact O-N 3.39Å; I73-L75 VanDerWaalsContact O-N 3.13Å; L75-D77 PolarHBondContact O-N 3.18Å; L75-D77 VanDerWaalsContact O-N 3.17Å; L75-N78 WeakPolarHBondContact O-CB 3.41Å; L75-N78 PolarHBondContact O-N 3.41Å; L75-Y79 WeakPolarHBondContact O-CD2 3.38Å; L75-Y79 WeakPolarHBondContact O-CE2 3.3Å; L75-E96 HydrophobicContact CD2-CB 3.78Å; L75-E97 HydrophobicContact CD2-CG 3.9Å; L75-F100 HydrophobicContact CD1-CB 3.74Å; L75-F100 HydrophobicContact CD1-CD1 3.65Å; L75-F100 HydrophobicContact CD1-CD2 4.4Å; L75-F100 HydrophobicContact CD1-CE1 4.32Å; L75-F100 HydrophobicContact CD1-CG 3.67Å; L75-F139 HydrophobicContact CD1-CE1 3.92Å; L75-F139 HydrophobicContact CD1-CZ 3.75Å; L75-F139 HydrophobicContact CD2-CE1 4.44Å; L75-F153 HydrophobicContact CB-CE1 3.74Å; L75-F153 HydrophobicContact CB-CZ 3.68Å; L75-F153 HydrophobicContact CD1-CE1 4.24Å; L75-F153 HydrophobicContact CD1-CE2 3.85Å; L75-F153 HydrophobicContact CD1-CZ 3.6Å; L75-F153 HydrophobicContact CG-CZ 4.3Å
76L98.2Very high96.2Very high15 Ų1538.5 Ų38.58%0.07922%0.219CC..THydrogen-bonded Turntrans-72.7-13.7-160.5-61174.9000114.4F72 I73 F153 V158 Q174 L177F72-L76 HydrophobicContact CD1-CD1 4.04Å; F72-L76 HydrophobicContact CD1-CD2 4.36Å; F72-L76 HydrophobicContact CD1-CG 4.42Å; F72-L76 HydrophobicContact CE1-CD1 3.8Å; F72-L76 HydrophobicContact CE1-CD2 3.8Å; F72-L76 HydrophobicContact CE1-CG 4.22Å; F72-L76 HydrophobicContact CZ-CD2 3.94Å; F72-L76 WeakPolarHBondContact O-CG 3.47Å; I73-L76 HydrophobicContact CB-CD1 4.48Å; I73-L76 HydrophobicContact CG1-CD1 4.25Å; I73-L76 WeakPolarHBondContact O-CB 3.34Å; I73-L76 PolarHBondContact O-N 3.23Å; L76-F153 HydrophobicContact CD2-CE1 4.28Å; L76-F153 HydrophobicContact CD2-CZ 4.23Å; L76-V158 HydrophobicContact CD2-CG2 4.01Å; L76-Q174 HydrophobicContact CD1-CB 4.17Å; L76-Q174 VanDerWaalsContact CD1-OE1 3.25Å; L76-Q174 HydrophobicContact CD2-CB 4.38Å; L76-L177 HydrophobicContact CD1-CD1 3.87Å
77D95.7Very high95.9Very high129 Ų12937.8 Ų37.869%0.6922%0.217SC*.THydrogen-bonded Turntrans-102.98.1179.461.3-18.1000113.9L75L75-D77 PolarHBondContact O-N 3.18Å; L75-D77 VanDerWaalsContact O-N 3.17Å
78N95.5Very high95.6Very high22 Ų2241.4 Ų41.412%0.11823%0.231CC..SBendtrans-90.4-6.3-173.5-73.6-31.6000116.6A74 L75 Q93 E96A74-N78 PolarHBondContact O-ND2 2.96Å; L75-N78 WeakPolarHBondContact O-CB 3.41Å; L75-N78 PolarHBondContact O-N 3.41Å; N78-Q93 HydrophobicContact CB-CG 4.02Å; N78-Q93 PolarHBondContact O-NE2 2.7Å; N78-Q93 WeakPolarHBondContact OD1-CG 2.92Å; N78-Q93 PolarHBondContact OD1-NE2 3.14Å; N78-E96 PolarHBondContact ND2-OE2 3.31Å; N78-E96 PolarHBondContact OD1-OE2 2.86Å
79Y95.6Very high95.3Very high22 Ų2243.9 Ų43.99%0.08625%0.246CC..SBendtrans-116.4150.3-163.8-58.4-88.2000112.2L75 F153 E154 V158L75-Y79 WeakPolarHBondContact O-CD2 3.38Å; L75-Y79 WeakPolarHBondContact O-CE2 3.3Å; Y79-F153 AromaticContact CE2-CD1 3.75Å; Y79-F153 HydrophobicContact CE2-CD1 3.75Å; Y79-F153 AromaticContact CE2-CE1 3.78Å; Y79-F153 HydrophobicContact CE2-CE1 3.78Å; Y79-F153 AromaticContact CZ-CD1 3.66Å; Y79-F153 VanDerWaalsContact OH-CD1 3.3Å; Y79-F153 WeakPolarHBondContact OH-CD1 3.36Å; Y79-E154 HydrophobicContact CD1-CB 3.77Å; Y79-E154 HydrophobicContact CD1-CG 3.79Å; Y79-E154 HydrophobicContact CE1-CB 4.05Å; Y79-E154 HydrophobicContact CG-CB 4.23Å; Y79-E154 HydrophobicContact CG-CG 3.96Å; Y79-V158 HydrophobicContact CD2-CB 4.45Å; Y79-V158 HydrophobicContact CD2-CG1 4.25Å; Y79-V158 HydrophobicContact CD2-CG2 3.64Å; Y79-V158 HydrophobicContact CE2-CG2 3.82Å; Y79-V158 HydrophobicContact CG-CG2 4.4Å
80N93.1Very high95.2Very high59 Ų5946.8 Ų46.832%0.31626%0.264SS..  trans-90.4111.9167.5-171.4-40.2000109.4Q82 E87 E154N80-Q82 PolarHBondContact O-N 3.13Å; N80-Q82 VanDerWaalsContact OD1-CB 3.29Å; N80-Q82 WeakPolarHBondContact OD1-CB 3.4Å; N80-Q82 PolarHBondContact OD1-N 3.06Å; N80-E87 WeakPolarHBondContact CA-OE1 3.48Å; N80-E87 VanDerWaalsContact CB-OE1 3.27Å; N80-E87 WeakPolarHBondContact CB-OE1 3.23Å; N80-E87 PolarHBondContact N-OE1 3.19Å; N80-E154 VanDerWaalsContact O-OE1 3.12Å
81P93.3Very high95.1Very high49 Ų4949.1 Ų49.132%0.31827%0.274SS..  trans-67-11.6-174.231.3-38000113V83 E160 H161P81-V83 PolarHBondContact O-N 3.32Å; P81-E160 CarbonylContact O-C 3.55Å; P81-E160 VanDerWaalsContact O-CA 3.22Å; P81-E160 WeakPolarHBondContact O-CA 3.16Å; P81-E160 WeakPolarHBondContact O-CB 3.32Å; P81-H161 PolarHBondContact O-CD2 2.83Å; P81-H161 PolarHBondContact O-N 3.06Å
82Q94Very high95Very high99 Ų9951 Ų5146%0.46328%0.284SS..BIsolated β-bridgetrans-81.9107.1-179.6-172.3-178.7-3500112.7N80 G84 V85N80-Q82 PolarHBondContact O-N 3.13Å; N80-Q82 VanDerWaalsContact OD1-CB 3.29Å; N80-Q82 WeakPolarHBondContact OD1-CB 3.4Å; N80-Q82 PolarHBondContact OD1-N 3.06Å; Q82-G84 PolarHBondContact O-N 3.43Å; Q82-V85 HydrophobicContact CB-CG2 4.17Å; Q82-V85 HydrophobicContact CG-CG2 4.25Å; Q82-V85 PolarHBondContact O-N 2.94Å
83V91.8Very high95Very high5 Ų552.1 Ų52.13%0.0329%0.29CS..THydrogen-bonded Turntrans-57.3128.7173.4179.40000111.7P81 R144 R145 E160 H161 L167P81-V83 PolarHBondContact O-N 3.32Å; V83-R144 HydrophobicContact CG1-CB 4.03Å; V83-R144 HydrophobicContact CG1-CG 3.83Å; V83-R145 HydrophobicContact CG1-CB 3.74Å; V83-E160 HydrophobicContact CG2-CB 3.81Å; V83-E160 HydrophobicContact CG2-CG 4.28Å; V83-H161 PolarHBondContact N-O 3.43Å; V83-H161 VanDerWaalsContact N-O 3.13Å; V83-L167 HydrophobicContact CG2-CD1 4.34Å
84G92.3Very high94.9Very high18 Ų1853.1 Ų53.119%0.18630%0.295CS..THydrogen-bonded Turntrans106.7-5.4-17900000114.2Q82 R146 D149Q82-G84 PolarHBondContact O-N 3.43Å; G84-R146 WeakPolarHBondContact O-CB 3.44Å; G84-R146 VanDerWaalsContact O-CD 3.22Å; G84-R146 WeakPolarHBondContact O-CD 3.22Å; G84-D149 WeakPolarHBondContact CA-OD2 3.5Å; G84-D149 PolarHBondContact N-OD2 2.96Å
85V92.8Very high94.9Very high49 Ų4958.5 Ų58.530%0.29731%0.308SS..SBendtrans-92.3122.3168.1-1760000107.9Q82 E87 D149Q82-V85 HydrophobicContact CB-CG2 4.17Å; Q82-V85 HydrophobicContact CG-CG2 4.25Å; Q82-V85 PolarHBondContact O-N 2.94Å; V85-E87 PolarHBondContact O-N 3.27Å; V85-D149 VanDerWaalsContact O-CA 3.24Å; V85-D149 WeakPolarHBondContact O-CA 3.41Å; V85-D149 VanDerWaalsContact O-CB 3.22Å; V85-D149 WeakPolarHBondContact O-CB 3.43Å
86T92.9Very high94.9Very high52 Ų5261.1 Ų61.132%0.31932%0.321SS..PPolyproline II helixtrans-69.5130.2176.9-63.90000109.3R146 T147T86-R146 VanDerWaalsContact OG1-CD 3.26Å; T86-R146 WeakPolarHBondContact OG1-CD 3.34Å; T86-R146 WeakPolarHBondContact OG1-CG 3.35Å; T86-R146 PolarHBondContact OG1-NE 3.49Å; T86-R146 VanDerWaalsContact OG1-NE 3.08Å; T86-T147 WeakPolarHBondContact CG2-O 3.39Å; T86-T147 PolarHBondContact OG1-O 2.68Å
87E92Very high95Very high24 Ų2460.6 Ų60.611%0.11232%0.318CS..PPolyproline II helixtrans-67.5140.4176.6-72.5-58.9148.600112N80 V85 R141 G148N80-E87 WeakPolarHBondContact CA-OE1 3.48Å; N80-E87 VanDerWaalsContact CB-OE1 3.27Å; N80-E87 WeakPolarHBondContact CB-OE1 3.23Å; N80-E87 PolarHBondContact N-OE1 3.19Å; V85-E87 PolarHBondContact O-N 3.27Å; E87-R141 HydrophobicContact CB-CG 4.18Å; E87-R141 HydrophobicContact CG-CG 4.38Å; E87-G148 PolarHBondContact N-O 3.4Å
88I91.5Very high95.1Very high143 Ų14357.2 Ų57.273%0.73330%0.3SS*.  trans-113.999.9172.9-58.8177.2000107.4T90 Q93I88-T90 PolarHBondContact O-N 2.66Å; I88-Q93 PolarHBondContact O-OE1 3.06Å
89V92.8Very high95.3Very high56 Ų5659.3 Ų59.334%0.33931%0.311SS..  trans-81120.4-176.9-171.90000110.1Q93 N94 R141V89-Q93 HydrophobicContact CG1-CB 3.97Å; V89-N94 HydrophobicContact CG1-CB 4.26Å; V89-R141 VanDerWaalsContact CG2-CZ 3.45Å; V89-R141 VanDerWaalsContact CG2-NE 3.34Å
90T95.7Very high95.4Very high60 Ų6058.2 Ų58.237%0.36831%0.307SS..  trans-80.6168.7174.274.50000111.5I88 E92 Q93 N94I88-T90 PolarHBondContact O-N 2.66Å; T90-E92 WeakPolarHBondContact CB-OE2 3.39Å; T90-E92 PolarHBondContact O-N 2.66Å; T90-E92 PolarHBondContact OG1-N 2.91Å; T90-E92 PolarHBondContact OG1-OE2 3.12Å; T90-Q93 VanDerWaalsContact N-OE1 3.15Å; T90-Q93 PolarHBondContact O-N 3.4Å; T90-Q93 VanDerWaalsContact OG1-CG 3.3Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.3Å; T90-Q93 PolarHBondContact OG1-N 3.01Å; T90-Q93 VanDerWaalsContact OG1-N 3.14Å; T90-N94 PolarHBondContact O-N 3.4Å; T90-N94 VanDerWaalsContact O-N 3.1Å
91V96.9Very high95.7Very high86 Ų8655.8 Ų55.852%0.52129%0.294SS..Hα-helixtrans-64.1-36.4175.5174.50000110.4R95V91-R95 VanDerWaalsContact O-CG 3.31Å; V91-R95 WeakPolarHBondContact O-CG 3.25Å; V91-R95 PolarHBondContact O-N 2.93Å
92E97.2Very high95.9Very high106 Ų10657.5 Ų57.550%0.49530%0.3SS..Hα-helixtrans-64-49.1178-64.665.7-142.900110.7T90 N94 R95 E96T90-E92 WeakPolarHBondContact CB-OE2 3.39Å; T90-E92 PolarHBondContact O-N 2.66Å; T90-E92 PolarHBondContact OG1-N 2.91Å; T90-E92 PolarHBondContact OG1-OE2 3.12Å; E92-N94 VanDerWaalsContact C-N 3.34Å; E92-N94 PolarHBondContact O-N 3.34Å; E92-R95 WeakPolarHBondContact O-CA 3.21Å; E92-R95 WeakPolarHBondContact O-CB 3.4Å; E92-R95 PolarHBondContact O-N 2.89Å; E92-E96 PolarHBondContact O-N 3.14Å
93Q97.6Very high96.2Very high25 Ų2554.7 Ų54.712%0.11729%0.287CS..Hα-helixtrans-60.6-42.9177.6-68.8-179.2-23.100112.1N78 I88 V89 T90 R95 E96 E97N78-Q93 HydrophobicContact CB-CG 4.02Å; N78-Q93 PolarHBondContact O-NE2 2.7Å; N78-Q93 WeakPolarHBondContact OD1-CG 2.92Å; N78-Q93 PolarHBondContact OD1-NE2 3.14Å; I88-Q93 PolarHBondContact O-OE1 3.06Å; V89-Q93 HydrophobicContact CG1-CB 3.97Å; T90-Q93 VanDerWaalsContact N-OE1 3.15Å; T90-Q93 PolarHBondContact O-N 3.4Å; T90-Q93 VanDerWaalsContact OG1-CG 3.3Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.3Å; T90-Q93 PolarHBondContact OG1-N 3.01Å; T90-Q93 VanDerWaalsContact OG1-N 3.14Å; Q93-R95 VanDerWaalsContact C-N 3.27Å; Q93-R95 PolarHBondContact O-N 3.08Å; Q93-E96 PolarHBondContact O-N 3.3Å; Q93-E97 WeakPolarHBondContact O-CG 3.31Å; Q93-E97 PolarHBondContact O-N 3.19Å; Q93-E97 VanDerWaalsContact O-N 3.07Å
94N97.7Very high96.5Very high63 Ų6354.4 Ų54.434%0.33729%0.285SS..Hα-helixtrans-62.8-34.8174.9177.484.7000112.1V89 T90 E92 D98 K135V89-N94 HydrophobicContact CG1-CB 4.26Å; T90-N94 PolarHBondContact O-N 3.4Å; T90-N94 VanDerWaalsContact O-N 3.1Å; E92-N94 VanDerWaalsContact C-N 3.34Å; E92-N94 PolarHBondContact O-N 3.34Å; N94-D98 PolarHBondContact ND2-OD2 3.19Å; N94-D98 VanDerWaalsContact ND2-OD2 3.08Å; N94-D98 PolarHBondContact O-N 3.36Å; N94-D98 VanDerWaalsContact O-N 3.1Å; N94-K135 PolarHBondContact OD1-NZ 3.02Å
95R98.5Very high96.8Very high146 Ų14654.7 Ų54.755%0.55128%0.282SS*.Hα-helixtrans-68.5-38.6175.2-73.7170.9-177.3163.14.1111.7V91 E92 Q93 E97 D98 D99V91-R95 VanDerWaalsContact O-CG 3.31Å; V91-R95 WeakPolarHBondContact O-CG 3.25Å; V91-R95 PolarHBondContact O-N 2.93Å; E92-R95 WeakPolarHBondContact O-CA 3.21Å; E92-R95 WeakPolarHBondContact O-CB 3.4Å; E92-R95 PolarHBondContact O-N 2.89Å; Q93-R95 VanDerWaalsContact C-N 3.27Å; Q93-R95 PolarHBondContact O-N 3.08Å; R95-E97 VanDerWaalsContact C-N 3.31Å; R95-E97 PolarHBondContact O-N 3.43Å; R95-D98 PolarHBondContact O-N 3.23Å; R95-D99 WeakPolarHBondContact O-CB 3.12Å; R95-D99 PolarHBondContact O-N 3.46Å
96E98.6Very high97.1Very high55 Ų5558 Ų5826%0.25729%0.293SS..Hα-helixtrans-63-39.2175.9-71.7166.9168.300111.5L75 N78 E92 Q93 D99 F100L75-E96 HydrophobicContact CD2-CB 3.78Å; N78-E96 PolarHBondContact ND2-OE2 3.31Å; N78-E96 PolarHBondContact OD1-OE2 2.86Å; E92-E96 PolarHBondContact O-N 3.14Å; Q93-E96 PolarHBondContact O-N 3.3Å; E96-D99 PolarHBondContact O-N 2.92Å; E96-F100 WeakPolarHBondContact O-CB 3.3Å; E96-F100 PolarHBondContact O-N 2.96Å
97E98.7Very high97.4Very high5 Ų556.3 Ų56.32%0.02328%0.282CS..Hα-helixtrans-61.7-46.6172.3-67.5173.7-177.700111.9L75 Q93 R95 D99 F100 I101 K135 F139 R141L75-E97 HydrophobicContact CD2-CG 3.9Å; Q93-E97 WeakPolarHBondContact O-CG 3.31Å; Q93-E97 PolarHBondContact O-N 3.19Å; Q93-E97 VanDerWaalsContact O-N 3.07Å; R95-E97 VanDerWaalsContact C-N 3.31Å; R95-E97 PolarHBondContact O-N 3.43Å; E97-D99 VanDerWaalsContact C-N 3.34Å; E97-D99 PolarHBondContact O-N 3.23Å; E97-F100 PolarHBondContact O-N 3.4Å; E97-I101 VanDerWaalsContact O-CG1 3.28Å; E97-I101 WeakPolarHBondContact O-CG1 3.42Å; E97-I101 PolarHBondContact O-N 2.85Å; E97-K135 WeakPolarHBondContact OE2-CE 3.35Å; E97-F139 HydrophobicContact CB-CD2 4.13Å; E97-F139 HydrophobicContact CB-CE2 4.29Å; E97-F139 HydrophobicContact CB-CG 4.3Å; E97-F139 HydrophobicContact CG-CB 4.35Å; E97-F139 HydrophobicContact CG-CD1 3.76Å; E97-F139 HydrophobicContact CG-CD2 4.13Å; E97-F139 HydrophobicContact CG-CE1 4.03Å; E97-F139 HydrophobicContact CG-CE2 4.39Å; E97-F139 HydrophobicContact CG-CG 3.82Å; E97-F139 HydrophobicContact CG-CZ 4.35Å; E97-R141 IonicContact OE1-CZ 2.81Å; E97-R141 IonicContact OE1-NH1 3.51Å; E97-R141 PolarHBondContact OE1-NH1 2.7Å; E97-R141 IonicContact OE1-NH2 2.58Å; E97-R141 PolarHBondContact OE1-NH2 3.18Å; E97-R141 IonicContact OE2-NH1 3.96Å; E97-R141 PolarHBondContact OE2-NH1 3.18Å
98D98.7Very high97.7Very high58 Ų5860 Ų6031%0.3130%0.298SS..Hα-helixtrans-61-44177.4-74.4-36.4000111.3N94 R95 I101 N102 K135N94-D98 PolarHBondContact ND2-OD2 3.19Å; N94-D98 VanDerWaalsContact ND2-OD2 3.08Å; N94-D98 PolarHBondContact O-N 3.36Å; N94-D98 VanDerWaalsContact O-N 3.1Å; R95-D98 PolarHBondContact O-N 3.23Å; D98-I101 PolarHBondContact O-N 2.97Å; D98-N102 WeakPolarHBondContact O-CB 3.06Å; D98-N102 PolarHBondContact O-N 3.23Å; D98-N102 PolarHBondContact O-ND2 3.09Å; D98-K135 WeakPolarHBondContact OD1-CD 3.38Å; D98-K135 WeakPolarHBondContact OD1-CE 3.23Å; D98-K135 IonicContact OD1-NZ 2.69Å; D98-K135 PolarHBondContact OD1-NZ 3Å; D98-K135 IonicContact OD2-NZ 2.64Å; D98-K135 PolarHBondContact OD2-NZ 2.6Å
99D98.7Very high98Very high65 Ų6553.2 Ų53.235%0.34826%0.263SS..Hα-helixtrans-63-45.3178-81.2-1.8000112K71 R95 E96 E97 N102 E103K71-D99 HydrophobicContact CD-CB 3.87Å; K71-D99 HydrophobicContact CG-CB 4.48Å; K71-D99 IonicContact NZ-OD2 3.23Å; K71-D99 PolarHBondContact NZ-OD2 2.96Å; R95-D99 WeakPolarHBondContact O-CB 3.12Å; R95-D99 PolarHBondContact O-N 3.46Å; E96-D99 PolarHBondContact O-N 2.92Å; E97-D99 VanDerWaalsContact C-N 3.34Å; E97-D99 PolarHBondContact O-N 3.23Å; D99-N102 PolarHBondContact O-N 2.98Å; D99-E103 PolarHBondContact O-N 3.46Å
100F98.8Very high98.3Very high0 Ų050.5 Ų50.50%025%0.247CC..Hα-helixtrans-62-47.7177.2176.9-116.1000111.4K71 F72 L75 E96 E97 N102 E103 L104 F139 F153 P222 I226K71-F100 HydrophobicContact CB-CB 4.05Å; K71-F100 HydrophobicContact CB-CD2 3.99Å; F72-F100 HydrophobicContact CB-CD2 4.15Å; F72-F100 HydrophobicContact CB-CE2 3.7Å; F72-F100 HydrophobicContact CB-CZ 4.36Å; F72-F100 HydrophobicContact CD2-CE2 4.06Å; F72-F100 AromaticContact CD2-CZ 3.84Å; F72-F100 HydrophobicContact CD2-CZ 3.84Å; F72-F100 HydrophobicContact CG-CE2 4.39Å; L75-F100 HydrophobicContact CD1-CB 3.74Å; L75-F100 HydrophobicContact CD1-CD1 3.65Å; L75-F100 HydrophobicContact CD1-CD2 4.4Å; L75-F100 HydrophobicContact CD1-CE1 4.32Å; L75-F100 HydrophobicContact CD1-CG 3.67Å; E96-F100 WeakPolarHBondContact O-CB 3.3Å; E96-F100 PolarHBondContact O-N 2.96Å; E97-F100 PolarHBondContact O-N 3.4Å; F100-N102 VanDerWaalsContact C-N 3.29Å; F100-N102 PolarHBondContact O-N 3.06Å; F100-E103 PolarHBondContact O-N 2.96Å; F100-L104 HydrophobicContact CD1-CD1 3.99Å; F100-L104 HydrophobicContact CD1-CG 4.35Å; F100-L104 HydrophobicContact CD2-CG 4.34Å; F100-L104 HydrophobicContact CE1-CD1 3.52Å; F100-L104 HydrophobicContact CE1-CD2 4.44Å; F100-L104 HydrophobicContact CE1-CG 4.03Å; F100-L104 HydrophobicContact CE2-CD1 4.35Å; F100-L104 HydrophobicContact CE2-CD2 3.91Å; F100-L104 HydrophobicContact CE2-CG 3.96Å; F100-L104 HydrophobicContact CZ-CD1 3.72Å; F100-L104 HydrophobicContact CZ-CD2 3.78Å; F100-L104 HydrophobicContact CZ-CG 3.82Å; F100-L104 WeakPolarHBondContact O-CG 3.46Å; F100-L104 PolarHBondContact O-N 3.39Å; F100-F139 HydrophobicContact CD1-CE2 4.15Å; F100-F139 AromaticContact CD1-CZ 3.73Å; F100-F139 HydrophobicContact CD1-CZ 3.73Å; F100-F139 HydrophobicContact CE1-CZ 4.2Å; F100-F153 HydrophobicContact CE1-CE2 4.25Å; F100-P222 HydrophobicContact CE2-CB 3.91Å; F100-P222 HydrophobicContact CZ-CB 3.98Å; F100-I226 HydrophobicContact CE1-CD1 4.42Å; F100-I226 HydrophobicContact CE1-CG1 4.37Å; F100-I226 HydrophobicContact CZ-CG1 4.25Å
101I98.9Very high98.5Very high8 Ų852.5 Ų52.54%0.04125%0.25CS..Hα-helixtrans-57.5-44.3175-67.9-62000110.7E97 D98 E103 L104 L105 L134 K135 F139E97-I101 VanDerWaalsContact O-CG1 3.28Å; E97-I101 WeakPolarHBondContact O-CG1 3.42Å; E97-I101 PolarHBondContact O-N 2.85Å; D98-I101 PolarHBondContact O-N 2.97Å; I101-E103 PolarHBondContact O-N 3.29Å; I101-L104 HydrophobicContact CD1-CD1 4.24Å; I101-L104 WeakPolarHBondContact O-CB 3.29Å; I101-L104 PolarHBondContact O-N 2.92Å; I101-L105 HydrophobicContact CG2-CD1 4.31Å; I101-L105 HydrophobicContact CG2-CG 4.45Å; I101-L105 VanDerWaalsContact O-CG 3.32Å; I101-L105 WeakPolarHBondContact O-CG 3.37Å; I101-L105 PolarHBondContact O-N 3.47Å; I101-L134 HydrophobicContact CD1-CB 3.73Å; I101-K135 HydrophobicContact CD1-CB 4.48Å; I101-K135 HydrophobicContact CG1-CB 4.13Å; I101-K135 HydrophobicContact CG1-CG 4.49Å; I101-F139 HydrophobicContact CD1-CD2 4.45Å; I101-F139 HydrophobicContact CD1-CE2 3.87Å; I101-F139 HydrophobicContact CG1-CD2 4.5Å; I101-F139 HydrophobicContact CG1-CE2 4.01Å
102N98.8Very high98.6Very high85 Ų8550.5 Ų50.546%0.45524%0.236SC..Hα-helixtrans-63.6-39.1179.7-73.3-34.3000112.7D98 D99 F100 K106D98-N102 WeakPolarHBondContact O-CB 3.06Å; D98-N102 PolarHBondContact O-N 3.23Å; D98-N102 PolarHBondContact O-ND2 3.09Å; D99-N102 PolarHBondContact O-N 2.98Å; F100-N102 VanDerWaalsContact C-N 3.29Å; F100-N102 PolarHBondContact O-N 3.06Å; N102-K106 WeakPolarHBondContact O-CG 3.14Å
103E98.8Very high98.6Very high39 Ų3945.5 Ų45.518%0.18221%0.213CC..Hα-helixtrans-67.7-41.7173.7-69.1-51140.500112P67 T68 K71 D99 F100 I101 L105 K106P67-E103 HydrophobicContact CB-CG 4.01Å; P67-E103 WeakPolarHBondContact CB-OE2 3.31Å; T68-E103 HydrophobicContact CG2-CB 4.05Å; K71-E103 HydrophobicContact CG-CG 3.75Å; D99-E103 PolarHBondContact O-N 3.46Å; F100-E103 PolarHBondContact O-N 2.96Å; I101-E103 PolarHBondContact O-N 3.29Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 3.16Å; E103-K106 WeakPolarHBondContact O-CB 3.18Å; E103-K106 PolarHBondContact O-N 2.64Å; E103-K106 VanDerWaalsContact O-N 3.13Å; E103-K106 IonicContact OE1-NZ 2.62Å; E103-K106 PolarHBondContact OE1-NZ 2.89Å; E103-K106 WeakPolarHBondContact OE2-CD 3.39Å; E103-K106 IonicContact OE2-NZ 3.22Å; E103-K106 PolarHBondContact OE2-NZ 3Å
104L98.8Very high98.7Very high0 Ų046 Ų460%021%0.214CC..Hα-helixtrans-53-50.2174.9-76.6-174.7000111.2T68 F100 I101 K106 T107 M110 E223 I226T68-L104 HydrophobicContact CG2-CD2 4.34Å; F100-L104 HydrophobicContact CD1-CD1 3.99Å; F100-L104 HydrophobicContact CD1-CG 4.35Å; F100-L104 HydrophobicContact CD2-CG 4.34Å; F100-L104 HydrophobicContact CE1-CD1 3.52Å; F100-L104 HydrophobicContact CE1-CD2 4.44Å; F100-L104 HydrophobicContact CE1-CG 4.03Å; F100-L104 HydrophobicContact CE2-CD1 4.35Å; F100-L104 HydrophobicContact CE2-CD2 3.91Å; F100-L104 HydrophobicContact CE2-CG 3.96Å; F100-L104 HydrophobicContact CZ-CD1 3.72Å; F100-L104 HydrophobicContact CZ-CD2 3.78Å; F100-L104 HydrophobicContact CZ-CG 3.82Å; F100-L104 WeakPolarHBondContact O-CG 3.46Å; F100-L104 PolarHBondContact O-N 3.39Å; I101-L104 HydrophobicContact CD1-CD1 4.24Å; I101-L104 WeakPolarHBondContact O-CB 3.29Å; I101-L104 PolarHBondContact O-N 2.92Å; L104-K106 PolarHBondContact O-N 2.69Å; L104-K106 VanDerWaalsContact O-N 3.11Å; L104-T107 WeakPolarHBondContact O-CB 3.42Å; L104-T107 WeakPolarHBondContact O-CG2 3.3Å; L104-T107 PolarHBondContact O-N 3.45Å; L104-T107 PolarHBondContact O-OG1 3.23Å; L104-M110 HydrophobicContact CB-CG 4.05Å; L104-M110 HydrophobicContact CD2-CG 4.49Å; L104-M110 WeakPolarHBondContact O-CB 3.49Å; L104-M110 WeakPolarHBondContact O-CG 3.18Å; L104-E223 VanDerWaalsContact CD2-CA 3.49Å; L104-E223 HydrophobicContact CD2-CB 3.49Å; L104-E223 VanDerWaalsContact CD2-CB 3.49Å; L104-I226 HydrophobicContact CD1-CB 4.43Å; L104-I226 HydrophobicContact CD1-CG1 4.24Å; L104-I226 HydrophobicContact CD1-CG2 3.98Å
105L98.8Very high98.7Very high23 Ų2347.9 Ų47.912%0.1222%0.224CC..Hα-helixtrans-63.1-19-176.8-63.9179.1000114.2I101 E103 M127 F130 L134I101-L105 HydrophobicContact CG2-CD1 4.31Å; I101-L105 HydrophobicContact CG2-CG 4.45Å; I101-L105 VanDerWaalsContact O-CG 3.32Å; I101-L105 WeakPolarHBondContact O-CG 3.37Å; I101-L105 PolarHBondContact O-N 3.47Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 3.16Å; L105-M127 HydrophobicContact CB-CG 4.32Å; L105-M127 HydrophobicContact CD1-CG 4.35Å; L105-M127 HydrophobicContact CD2-CG 4.14Å; L105-M127 HydrophobicContact CD2-SD 3.86Å; L105-M127 HydrophobicContact CG-CG 4.5Å; L105-F130 HydrophobicContact CD2-CD1 3.86Å; L105-F130 HydrophobicContact CD2-CE1 4.38Å; L105-L134 HydrophobicContact CD2-CD1 4.11Å
106K98.5Very high98.8Very high119 Ų11942 Ų4252%0.51720%0.202SC..Hα-helixtrans-76.8-26.8176.5-64.9171.1-164.9174.10112.1N102 E103 L104 K111N102-K106 WeakPolarHBondContact O-CG 3.14Å; E103-K106 WeakPolarHBondContact O-CB 3.18Å; E103-K106 PolarHBondContact O-N 2.64Å; E103-K106 VanDerWaalsContact O-N 3.13Å; E103-K106 IonicContact OE1-NZ 2.62Å; E103-K106 PolarHBondContact OE1-NZ 2.89Å; E103-K106 WeakPolarHBondContact OE2-CD 3.39Å; E103-K106 IonicContact OE2-NZ 3.22Å; E103-K106 PolarHBondContact OE2-NZ 3Å; L104-K106 PolarHBondContact O-N 2.69Å; L104-K106 VanDerWaalsContact O-N 3.11Å; K106-K111 WeakPolarHBondContact O-CE 3.37Å; K106-K111 PolarHBondContact O-NZ 3.04Å
107T98.7Very high98.8Very high16 Ų1639.4 Ų39.410%0.09819%0.19CC..SBendtrans-68.6152.8-174.570.90000112.7T68 L104 V109 M110 K111 E223T68-T107 HydrophobicContact CG2-CG2 3.68Å; L104-T107 WeakPolarHBondContact O-CB 3.42Å; L104-T107 WeakPolarHBondContact O-CG2 3.3Å; L104-T107 PolarHBondContact O-N 3.45Å; L104-T107 PolarHBondContact O-OG1 3.23Å; T107-V109 VanDerWaalsContact C-N 3.35Å; T107-M110 WeakPolarHBondContact OG1-CB 3.5Å; T107-M110 VanDerWaalsContact OG1-CG 3.29Å; T107-M110 WeakPolarHBondContact OG1-CG 3.49Å; T107-M110 PolarHBondContact OG1-N 3.44Å; T107-M110 VanDerWaalsContact OG1-N 3.15Å; T107-K111 WeakPolarHBondContact O-CD 3.39Å; T107-K111 WeakPolarHBondContact O-CG 3.07Å; T107-K111 PolarHBondContact O-N 3.37Å; T107-E223 HydrophobicContact CG2-CB 4.14Å; T107-E223 HydrophobicContact CG2-CG 3.88Å; T107-E223 WeakPolarHBondContact CG2-OE1 3.22Å
108K98.7Very high98.7Very high101 Ų10141.9 Ų41.944%0.43921%0.205SC..Hα-helixtrans-64.6-39.7173.9-173.8177.2178.9179.90112A21 E23 M110 K111 M112A21-K108 HydrophobicContact CB-CD 4.09Å; A21-K108 HydrophobicContact CB-CG 4.34Å; E23-K108 WeakPolarHBondContact OE2-CB 3.36Å; K108-M110 VanDerWaalsContact C-N 3.34Å; K108-M110 PolarHBondContact O-N 2.95Å; K108-K111 PolarHBondContact O-N 3.4Å; K108-M112 HydrophobicContact CG-SD 3.97Å; K108-M112 VanDerWaalsContact O-CG 3.28Å; K108-M112 WeakPolarHBondContact O-CG 3.33Å; K108-M112 PolarHBondContact O-N 3.47Å
109V98.8Very high98.7Very high1 Ų147.1 Ų47.11%0.00623%0.225CC..Hα-helixtrans-55.8-47.4177.11710000111.2L18 D22 T107 M112 T113 E223 A227L18-V109 HydrophobicContact CD2-CG1 4.24Å; D22-V109 HydrophobicContact CB-CG2 4.17Å; T107-V109 VanDerWaalsContact C-N 3.35Å; V109-M112 PolarHBondContact O-N 2.98Å; V109-T113 WeakPolarHBondContact O-CB 3.49Å; V109-T113 PolarHBondContact O-N 2.97Å; V109-T113 PolarHBondContact O-OG1 3.31Å; V109-E223 HydrophobicContact CB-CB 4.43Å; V109-E223 HydrophobicContact CB-CG 3.99Å; V109-E223 HydrophobicContact CG1-CB 4.36Å; V109-E223 HydrophobicContact CG1-CG 4.26Å; V109-E223 WeakPolarHBondContact CG1-O 3.11Å; V109-E223 HydrophobicContact CG2-CG 4.27Å; V109-A227 HydrophobicContact CG1-CB 3.67Å
110M98.8Very high98.7Very high0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-74.7-33.2-178.4-67.8-56.5-53.300113.3L104 T107 K108 T113 Y114 F130 L134 E223 I226 A227L104-M110 HydrophobicContact CB-CG 4.05Å; L104-M110 HydrophobicContact CD2-CG 4.49Å; L104-M110 WeakPolarHBondContact O-CB 3.49Å; L104-M110 WeakPolarHBondContact O-CG 3.18Å; T107-M110 WeakPolarHBondContact OG1-CB 3.5Å; T107-M110 VanDerWaalsContact OG1-CG 3.29Å; T107-M110 WeakPolarHBondContact OG1-CG 3.49Å; T107-M110 PolarHBondContact OG1-N 3.44Å; T107-M110 VanDerWaalsContact OG1-N 3.15Å; K108-M110 VanDerWaalsContact C-N 3.34Å; K108-M110 PolarHBondContact O-N 2.95Å; M110-T113 WeakPolarHBondContact O-CB 3.26Å; M110-T113 PolarHBondContact O-N 3.36Å; M110-Y114 WeakPolarHBondContact O-CB 3.19Å; M110-Y114 PolarHBondContact O-N 2.64Å; M110-F130 HydrophobicContact CE-CE1 3.5Å; M110-F130 VanDerWaalsContact CE-CE1 3.5Å; M110-F130 HydrophobicContact CE-CZ 3.55Å; M110-L134 HydrophobicContact CE-CD1 3.33Å; M110-L134 HydrophobicContact CE-CD2 4.1Å; M110-L134 HydrophobicContact CE-CG 4.34Å; M110-E223 HydrophobicContact CG-CB 4.05Å; M110-I226 HydrophobicContact CE-CG2 4.44Å; M110-I226 HydrophobicContact SD-CG2 4.25Å; M110-A227 HydrophobicContact SD-CB 4.03Å
111K98.8Very high98.6Very high101 Ų10155.3 Ų55.344%0.43926%0.261SS..Hα-helixtrans-61.5-45.4171.2-71.2164.8179.1160.70111.5K106 T107 K108 T113 Y114 D115 M127K106-K111 WeakPolarHBondContact O-CE 3.37Å; K106-K111 PolarHBondContact O-NZ 3.04Å; T107-K111 WeakPolarHBondContact O-CD 3.39Å; T107-K111 WeakPolarHBondContact O-CG 3.07Å; T107-K111 PolarHBondContact O-N 3.37Å; K108-K111 PolarHBondContact O-N 3.4Å; K111-T113 VanDerWaalsContact C-N 3.29Å; K111-T113 PolarHBondContact O-N 3Å; K111-Y114 WeakPolarHBondContact O-CB 3.28Å; K111-Y114 PolarHBondContact O-N 3.34Å; K111-D115 PolarHBondContact O-N 3.47Å; K111-M127 HydrophobicContact CG-CE 4.07Å
112M98.8Very high98.5Very high45 Ų4560 Ų6022%0.22228%0.28CS..Hα-helixtrans-62.9-37.9175.3-70.1171.464.500112.1K17 L18 A21 K108 V109 F116K17-M112 HydrophobicContact CB-CE 3.74Å; L18-M112 HydrophobicContact CD2-CB 3.76Å; L18-M112 HydrophobicContact CD2-CE 4.11Å; L18-M112 HydrophobicContact CD2-SD 4.43Å; A21-M112 HydrophobicContact CB-CE 4.13Å; A21-M112 HydrophobicContact CB-SD 3.53Å; A21-M112 VanDerWaalsContact CB-SD 3.53Å; K108-M112 HydrophobicContact CG-SD 3.97Å; K108-M112 VanDerWaalsContact O-CG 3.28Å; K108-M112 WeakPolarHBondContact O-CG 3.33Å; K108-M112 PolarHBondContact O-N 3.47Å; V109-M112 PolarHBondContact O-N 2.98Å; M112-F116 VanDerWaalsContact O-CB 3.31Å; M112-F116 WeakPolarHBondContact O-CB 3.27Å; M112-F116 PolarHBondContact O-N 3.42Å
113T98.9Very high98.4Very high0 Ų056.8 Ų56.80%026%0.263CS..Hα-helixtrans-64.3-46.1176-60.50000112V109 M110 K111 F116 L117 F130 A227 V231V109-T113 WeakPolarHBondContact O-CB 3.49Å; V109-T113 PolarHBondContact O-N 2.97Å; V109-T113 PolarHBondContact O-OG1 3.31Å; M110-T113 WeakPolarHBondContact O-CB 3.26Å; M110-T113 PolarHBondContact O-N 3.36Å; K111-T113 VanDerWaalsContact C-N 3.29Å; K111-T113 PolarHBondContact O-N 3Å; T113-F116 PolarHBondContact O-N 3.04Å; T113-L117 HydrophobicContact CG2-CD1 3.88Å; T113-L117 HydrophobicContact CG2-CG 4.38Å; T113-L117 WeakPolarHBondContact O-CB 3.47Å; T113-L117 WeakPolarHBondContact O-CG 3.33Å; T113-L117 PolarHBondContact O-N 3.41Å; T113-F130 HydrophobicContact CG2-CZ 3.94Å; T113-A227 HydrophobicContact CG2-CB 4.27Å; T113-A227 VanDerWaalsContact OG1-CB 3.27Å; T113-A227 WeakPolarHBondContact OG1-CB 3.32Å; T113-V231 HydrophobicContact CG2-CG2 3.65Å
114Y98.9Very high98.3Very high36 Ų3659.7 Ų59.714%0.14129%0.288CS..Hα-helixtrans-55.4-54.8174.1169.9-99.6000111.4M110 K111 F116 L117 V118 I123 G125 M127 F130M110-Y114 WeakPolarHBondContact O-CB 3.19Å; M110-Y114 PolarHBondContact O-N 2.64Å; K111-Y114 WeakPolarHBondContact O-CB 3.28Å; K111-Y114 PolarHBondContact O-N 3.34Å; Y114-F116 VanDerWaalsContact C-N 3.26Å; Y114-F116 PolarHBondContact O-N 3.25Å; Y114-L117 PolarHBondContact O-N 3.17Å; Y114-V118 HydrophobicContact CD1-CG2 4.48Å; Y114-V118 HydrophobicContact CD2-CG2 4.13Å; Y114-V118 HydrophobicContact CE1-CG2 4.11Å; Y114-V118 HydrophobicContact CE2-CG2 3.75Å; Y114-V118 HydrophobicContact CG-CG2 4.49Å; Y114-V118 WeakPolarHBondContact O-CG2 3.3Å; Y114-V118 PolarHBondContact O-N 3.19Å; Y114-I123 HydrophobicContact CD2-CD1 3.7Å; Y114-I123 HydrophobicContact CE2-CD1 4.23Å; Y114-G125 PolarHBondContact OH-O 2.9Å; Y114-M127 HydrophobicContact CD1-CE 3.53Å; Y114-M127 HydrophobicContact CD1-SD 4.38Å; Y114-M127 HydrophobicContact CD2-CE 4.29Å; Y114-M127 HydrophobicContact CD2-SD 4.07Å; Y114-M127 HydrophobicContact CE1-CE 4.2Å; Y114-M127 HydrophobicContact CG-CE 3.58Å; Y114-M127 HydrophobicContact CG-SD 3.86Å; Y114-F130 HydrophobicContact CD2-CB 3.59Å; Y114-F130 AromaticContact CD2-CD1 3.76Å; Y114-F130 HydrophobicContact CD2-CD1 3.76Å; Y114-F130 AromaticContact CD2-CG 3.76Å; Y114-F130 HydrophobicContact CD2-CG 3.76Å; Y114-F130 HydrophobicContact CE2-CB 4.03Å; Y114-F130 HydrophobicContact CG-CD1 4.16Å
115D98.7Very high98.2Very high102 Ų10262 Ų6255%0.54531%0.311SS..Hα-helixtrans-59.1-40.1-178.5-69.9-22.8000111.7K111 K119K111-D115 PolarHBondContact O-N 3.47Å; D115-K119 WeakPolarHBondContact O-CB 3.36Å; D115-K119 PolarHBondContact O-N 3.37Å
116F98.8Very high98.2Very high24 Ų2468.5 Ų68.511%0.10534%0.339CS..Hα-helixtrans-65.3-47177.7-175.7-111.4000112E10 L11 F14 M112 T113 Y114 K119 K120 V231 L235E10-F116 HydrophobicContact CG-CZ 4.42Å; L11-F116 HydrophobicContact CD2-CE1 4.15Å; L11-F116 HydrophobicContact CD2-CZ 4.25Å; F14-F116 HydrophobicContact CB-CE1 4.47Å; F14-F116 HydrophobicContact CB-CE2 4.17Å; F14-F116 HydrophobicContact CB-CZ 4.12Å; F14-F116 AromaticContact CD1-CD1 3.54Å; F14-F116 HydrophobicContact CD1-CD1 3.54Å; F14-F116 HydrophobicContact CD1-CD2 4.37Å; F14-F116 AromaticContact CD1-CE1 3.64Å; F14-F116 HydrophobicContact CD1-CE1 3.64Å; F14-F116 HydrophobicContact CD1-CE2 4.47Å; F14-F116 AromaticContact CD1-CG 3.92Å; F14-F116 HydrophobicContact CD1-CG 3.92Å; F14-F116 HydrophobicContact CD1-CZ 4.13Å; F14-F116 HydrophobicContact CD2-CB 4.13Å; F14-F116 HydrophobicContact CD2-CD1 4.27Å; F14-F116 AromaticContact CD2-CD2 3.71Å; F14-F116 HydrophobicContact CD2-CD2 3.71Å; F14-F116 HydrophobicContact CD2-CE2 4.16Å; F14-F116 AromaticContact CD2-CG 3.78Å; F14-F116 HydrophobicContact CD2-CG 3.78Å; F14-F116 HydrophobicContact CE1-CB 3.99Å; F14-F116 AromaticContact CE1-CD1 3.47Å; F14-F116 HydrophobicContact CE1-CD1 3.47Å; F14-F116 VanDerWaalsContact CE1-CD1 3.47Å; F14-F116 HydrophobicContact CE1-CE1 4.05Å; F14-F116 AromaticContact CE1-CG 3.77Å; F14-F116 HydrophobicContact CE1-CG 3.77Å; F14-F116 HydrophobicContact CE2-CB 3.48Å; F14-F116 VanDerWaalsContact CE2-CB 3.48Å; F14-F116 HydrophobicContact CE2-CD1 4.22Å; F14-F116 AromaticContact CE2-CD2 3.98Å; F14-F116 HydrophobicContact CE2-CD2 3.98Å; F14-F116 AromaticContact CE2-CG 3.64Å; F14-F116 HydrophobicContact CE2-CG 3.64Å; F14-F116 AromaticContact CG-CD1 3.97Å; F14-F116 HydrophobicContact CG-CD1 3.97Å; F14-F116 AromaticContact CG-CD2 3.94Å; F14-F116 HydrophobicContact CG-CD2 3.94Å; F14-F116 AromaticContact CG-CE1 3.99Å; F14-F116 HydrophobicContact CG-CE1 3.99Å; F14-F116 AromaticContact CG-CE2 3.99Å; F14-F116 HydrophobicContact CG-CE2 3.99Å; F14-F116 AromaticContact CG-CG 3.93Å; F14-F116 HydrophobicContact CG-CG 3.93Å; F14-F116 HydrophobicContact CG-CZ 4.01Å; F14-F116 HydrophobicContact CZ-CB 3.4Å; F14-F116 VanDerWaalsContact CZ-CB 3.4Å; F14-F116 AromaticContact CZ-CD1 3.84Å; F14-F116 HydrophobicContact CZ-CD1 3.84Å; F14-F116 HydrophobicContact CZ-CD2 4.41Å; F14-F116 AromaticContact CZ-CG 3.64Å; F14-F116 HydrophobicContact CZ-CG 3.64Å; M112-F116 VanDerWaalsContact O-CB 3.31Å; M112-F116 WeakPolarHBondContact O-CB 3.27Å; M112-F116 PolarHBondContact O-N 3.42Å; T113-F116 PolarHBondContact O-N 3.04Å; Y114-F116 VanDerWaalsContact C-N 3.26Å; Y114-F116 PolarHBondContact O-N 3.25Å; F116-K119 PolarHBondContact O-N 3.17Å; F116-K120 HydrophobicContact CE1-CG 4.25Å; F116-K120 HydrophobicContact CE2-CG 4.34Å; F116-K120 HydrophobicContact CZ-CG 4.16Å; F116-K120 WeakPolarHBondContact O-CB 3.27Å; F116-K120 VanDerWaalsContact O-CG 3.28Å; F116-K120 WeakPolarHBondContact O-CG 3.46Å; F116-K120 PolarHBondContact O-N 3.46Å; F116-V231 HydrophobicContact CD1-CG1 4Å; F116-V231 HydrophobicContact CD1-CG2 4.49Å; F116-V231 HydrophobicContact CE1-CG1 3.68Å; F116-L235 HydrophobicContact CD1-CD1 4.28Å; F116-L235 HydrophobicContact CE1-CD1 3.4Å; F116-L235 HydrophobicContact CZ-CD1 4.01Å
117L98.7Very high98.1Very high0 Ų065.4 Ų65.40%033%0.327CS..Hα-helixtrans-69.4-33.7-179.3-69.4175.4000112.8T113 Y114 K120 Q121 K122 I123 F130 T230 V231 L234T113-L117 HydrophobicContact CG2-CD1 3.88Å; T113-L117 HydrophobicContact CG2-CG 4.38Å; T113-L117 WeakPolarHBondContact O-CB 3.47Å; T113-L117 WeakPolarHBondContact O-CG 3.33Å; T113-L117 PolarHBondContact O-N 3.41Å; Y114-L117 PolarHBondContact O-N 3.17Å; L117-K120 CarbonylContact O-C 3.5Å; L117-K120 PolarHBondContact O-N 2.68Å; L117-Q121 PolarHBondContact O-N 2.81Å; L117-Q121 VanDerWaalsContact O-N 3.14Å; L117-K122 HydrophobicContact CD2-CB 4.21Å; L117-K122 PolarHBondContact O-N 3.24Å; L117-I123 HydrophobicContact CB-CD1 3.63Å; L117-I123 HydrophobicContact CB-CG1 3.67Å; L117-I123 HydrophobicContact CB-CG2 4.41Å; L117-I123 HydrophobicContact CD1-CD1 4.3Å; L117-F130 HydrophobicContact CD1-CE2 3.91Å; L117-F130 HydrophobicContact CD1-CZ 4.23Å; L117-T230 HydrophobicContact CD1-CG2 4.16Å; L117-V231 HydrophobicContact CD1-CG2 4.32Å; L117-V231 HydrophobicContact CD2-CG2 4.07Å; L117-V231 HydrophobicContact CG-CG2 4.2Å; L117-L234 HydrophobicContact CD1-CD1 3.82Å; L117-L234 HydrophobicContact CD2-CB 4.36Å; L117-L234 HydrophobicContact CD2-CD1 3.81Å; L117-L234 HydrophobicContact CG-CD1 4.43Å
118V98.4Very high98.1Very high56 Ų5666.6 Ų66.634%0.33934%0.342SS..Hα-helixtrans-63-48.6170.6170.30000110.2Y114 K120 Q121 I123Y114-V118 HydrophobicContact CD1-CG2 4.48Å; Y114-V118 HydrophobicContact CD2-CG2 4.13Å; Y114-V118 HydrophobicContact CE1-CG2 4.11Å; Y114-V118 HydrophobicContact CE2-CG2 3.75Å; Y114-V118 HydrophobicContact CG-CG2 4.49Å; Y114-V118 WeakPolarHBondContact O-CG2 3.3Å; Y114-V118 PolarHBondContact O-N 3.19Å; V118-K120 PolarHBondContact O-N 3Å; V118-Q121 WeakPolarHBondContact O-CA 3.22Å; V118-Q121 PolarHBondContact O-N 2.86Å; V118-I123 HydrophobicContact CG2-CD1 4.11Å; V118-I123 HydrophobicContact CG2-CG1 3.76Å
119K98.3Very high98.1Very high169 Ų16964.6 Ų64.674%0.73534%0.336SS*.Hα-helixtrans-58.8-33176.4-177.7179.3179.3-179.60112.2D115 F116 Q121D115-K119 WeakPolarHBondContact O-CB 3.36Å; D115-K119 PolarHBondContact O-N 3.37Å; F116-K119 PolarHBondContact O-N 3.17Å; K119-Q121 VanDerWaalsContact C-N 3.27Å
120K97.9Very high98.1Very high62 Ų6264.7 Ų64.727%0.2734%0.336SS..THydrogen-bonded Turntrans-82.41.9175.3-67-58.4-171.7174.10114.6E10 F116 L117 V118 K122 L235E10-K120 VanDerWaalsContact CD-CE 3.47Å; E10-K120 WeakPolarHBondContact OE1-CE 3.24Å; E10-K120 IonicContact OE1-NZ 2.73Å; E10-K120 PolarHBondContact OE1-NZ 3.45Å; E10-K120 WeakPolarHBondContact OE2-CE 3.35Å; E10-K120 IonicContact OE2-NZ 3.49Å; E10-K120 PolarHBondContact OE2-NZ 2.86Å; F116-K120 HydrophobicContact CE1-CG 4.25Å; F116-K120 HydrophobicContact CE2-CG 4.34Å; F116-K120 HydrophobicContact CZ-CG 4.16Å; F116-K120 WeakPolarHBondContact O-CB 3.27Å; F116-K120 VanDerWaalsContact O-CG 3.28Å; F116-K120 WeakPolarHBondContact O-CG 3.46Å; F116-K120 PolarHBondContact O-N 3.46Å; L117-K120 CarbonylContact O-C 3.5Å; L117-K120 PolarHBondContact O-N 2.68Å; V118-K120 PolarHBondContact O-N 3Å; K120-K122 HydrophobicContact CB-CG 4.06Å; K120-K122 PolarHBondContact O-N 3.15Å; K120-L235 HydrophobicContact CB-CD2 3.88Å; K120-L235 HydrophobicContact CD-CD2 4.46Å; K120-L235 HydrophobicContact CG-CD1 4.13Å; K120-L235 HydrophobicContact CG-CD2 4.04Å
121Q97.5Very high98.1Very high175 Ų17564.9 Ų64.982%0.81834%0.339SS*.THydrogen-bonded Turntrans54.732.2-178.9-53.8176.333.600112.4L117 V118 K119L117-Q121 PolarHBondContact O-N 2.81Å; L117-Q121 VanDerWaalsContact O-N 3.14Å; V118-Q121 WeakPolarHBondContact O-CA 3.22Å; V118-Q121 PolarHBondContact O-N 2.86Å; K119-Q121 VanDerWaalsContact C-N 3.27Å
122K96.9Very high98Very high105 Ų10567.7 Ų67.746%0.45735%0.347SS..SBendtrans-93.7-25.3176.3-65.4-51.9-168.6177.60112.6L117 K120 L234 L235L117-K122 HydrophobicContact CD2-CB 4.21Å; L117-K122 PolarHBondContact O-N 3.24Å; K120-K122 HydrophobicContact CB-CG 4.06Å; K120-K122 PolarHBondContact O-N 3.15Å; K122-L234 HydrophobicContact CB-CB 4.47Å; K122-L234 HydrophobicContact CB-CD1 4.31Å; K122-L234 VanDerWaalsContact CE-O 3.26Å; K122-L234 WeakPolarHBondContact CE-O 3.36Å; K122-L234 HydrophobicContact CG-CB 4.41Å; K122-L235 HydrophobicContact CD-CD2 4.21Å; K122-L235 HydrophobicContact CG-CD2 3.63Å; K122-L235 HydrophobicContact CG-CG 4.47Å
123I96.8Very high98Very high19 Ų1968.4 Ų68.410%0.09735%0.348CS..  trans-133.7161.4171.967.1178.2000109.2Y114 L117 V118 F130 F133Y114-I123 HydrophobicContact CD2-CD1 3.7Å; Y114-I123 HydrophobicContact CE2-CD1 4.23Å; L117-I123 HydrophobicContact CB-CD1 3.63Å; L117-I123 HydrophobicContact CB-CG1 3.67Å; L117-I123 HydrophobicContact CB-CG2 4.41Å; L117-I123 HydrophobicContact CD1-CD1 4.3Å; V118-I123 HydrophobicContact CG2-CD1 4.11Å; V118-I123 HydrophobicContact CG2-CG1 3.76Å; I123-F130 HydrophobicContact CD1-CB 4.2Å; I123-F130 HydrophobicContact CD1-CD2 3.4Å; I123-F130 HydrophobicContact CD1-CE2 3.85Å; I123-F130 HydrophobicContact CD1-CG 3.84Å; I123-F130 HydrophobicContact CG2-CD2 4.5Å; I123-F133 HydrophobicContact CG2-CD1 4.22Å; I123-F133 HydrophobicContact CG2-CE1 4.39Å; I123-F133 HydrophobicContact CG2-CG 4.35Å
124S96.3Very high98Very high100 Ų10068.4 Ų68.470%0.69935%0.348SS*.  trans-143.6175175.163.90000109.7
125G96.9Very high98Very high47 Ų4768.6 Ų68.649%0.48535%0.35SS..SBendtrans92.5-153.9-178.300000112.6Y114 D129Y114-G125 PolarHBondContact OH-O 2.9Å; G125-D129 WeakPolarHBondContact CA-OD2 3.36Å
126K97.6Very high98Very high161 Ų16167.5 Ų67.570%0.734%0.344SS*.  trans-103.9174.1-179.8-61.7-179.5-178178.10110.5G128 D129 F130K126-G128 PolarHBondContact O-N 3.19Å; K126-G128 VanDerWaalsContact O-N 3.09Å; K126-D129 PolarHBondContact N-OD2 3.46Å; K126-D129 WeakPolarHBondContact O-CA 3.39Å; K126-D129 WeakPolarHBondContact O-CB 3.45Å; K126-D129 PolarHBondContact O-N 3.13Å; K126-F130 PolarHBondContact O-N 3.26Å
127M97.8Very high97.9Very high54 Ų5466.7 Ų66.727%0.26634%0.341SS..Hα-helixtrans-53.1-34.4177.1-166.862.470.900113.4L105 K111 Y114 F130 G131L105-M127 HydrophobicContact CB-CG 4.32Å; L105-M127 HydrophobicContact CD1-CG 4.35Å; L105-M127 HydrophobicContact CD2-CG 4.14Å; L105-M127 HydrophobicContact CD2-SD 3.86Å; L105-M127 HydrophobicContact CG-CG 4.5Å; K111-M127 HydrophobicContact CG-CE 4.07Å; Y114-M127 HydrophobicContact CD1-CE 3.53Å; Y114-M127 HydrophobicContact CD1-SD 4.38Å; Y114-M127 HydrophobicContact CD2-CE 4.29Å; Y114-M127 HydrophobicContact CD2-SD 4.07Å; Y114-M127 HydrophobicContact CE1-CE 4.2Å; Y114-M127 HydrophobicContact CG-CE 3.58Å; Y114-M127 HydrophobicContact CG-SD 3.86Å; M127-F130 WeakPolarHBondContact O-CB 3.26Å; M127-F130 PolarHBondContact O-N 3.08Å; M127-F130 HydrophobicContact SD-CD1 3.87Å; M127-G131 PolarHBondContact O-N 2.79Å
128G98Very high97.9Very high41 Ų4166.8 Ų66.842%0.42334%0.341SS..Hα-helixtrans-67.7-32.117500000114.2K126 F130 G131 R132K126-G128 PolarHBondContact O-N 3.19Å; K126-G128 VanDerWaalsContact O-N 3.09Å; G128-F130 VanDerWaalsContact C-N 3.33Å; G128-G131 PolarHBondContact O-N 3.29Å; G128-R132 PolarHBondContact O-N 3.46Å; G128-R132 VanDerWaalsContact O-N 3.15Å
129D98.3Very high97.9Very high59 Ų5964.2 Ų64.232%0.31633%0.326SS..Hα-helixtrans-67.4-38.8171.9-61.7-68.5000110.7G125 K126 R132 F133G125-D129 WeakPolarHBondContact CA-OD2 3.36Å; K126-D129 PolarHBondContact N-OD2 3.46Å; K126-D129 WeakPolarHBondContact O-CA 3.39Å; K126-D129 WeakPolarHBondContact O-CB 3.45Å; K126-D129 PolarHBondContact O-N 3.13Å; D129-R132 PolarHBondContact O-N 3.1Å; D129-R132 IonicContact OD1-CZ 3.62Å; D129-R132 IonicContact OD1-NE 3.88Å; D129-R132 IonicContact OD1-NH2 2.62Å; D129-R132 PolarHBondContact OD1-NH2 2.8Å; D129-F133 PolarHBondContact O-N 2.79Å
130F98.6Very high97.8Very high2 Ų260.4 Ų60.41%0.00931%0.309CS..Hα-helixtrans-65.1-39.4174.2-179.5-133.3000112.5L105 M110 T113 Y114 L117 I123 K126 M127 G128 R132 F133 L134L105-F130 HydrophobicContact CD2-CD1 3.86Å; L105-F130 HydrophobicContact CD2-CE1 4.38Å; M110-F130 HydrophobicContact CE-CE1 3.5Å; M110-F130 VanDerWaalsContact CE-CE1 3.5Å; M110-F130 HydrophobicContact CE-CZ 3.55Å; T113-F130 HydrophobicContact CG2-CZ 3.94Å; Y114-F130 HydrophobicContact CD2-CB 3.59Å; Y114-F130 AromaticContact CD2-CD1 3.76Å; Y114-F130 HydrophobicContact CD2-CD1 3.76Å; Y114-F130 AromaticContact CD2-CG 3.76Å; Y114-F130 HydrophobicContact CD2-CG 3.76Å; Y114-F130 HydrophobicContact CE2-CB 4.03Å; Y114-F130 HydrophobicContact CG-CD1 4.16Å; L117-F130 HydrophobicContact CD1-CE2 3.91Å; L117-F130 HydrophobicContact CD1-CZ 4.23Å; I123-F130 HydrophobicContact CD1-CB 4.2Å; I123-F130 HydrophobicContact CD1-CD2 3.4Å; I123-F130 HydrophobicContact CD1-CE2 3.85Å; I123-F130 HydrophobicContact CD1-CG 3.84Å; I123-F130 HydrophobicContact CG2-CD2 4.5Å; K126-F130 PolarHBondContact O-N 3.26Å; M127-F130 WeakPolarHBondContact O-CB 3.26Å; M127-F130 PolarHBondContact O-N 3.08Å; M127-F130 HydrophobicContact SD-CD1 3.87Å; G128-F130 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 3.13Å; F130-F133 AromaticContact CD2-CD1 3.89Å; F130-F133 HydrophobicContact CD2-CD1 3.89Å; F130-F133 AromaticContact CE2-CD1 3.97Å; F130-F133 HydrophobicContact CE2-CD1 3.97Å; F130-F133 HydrophobicContact CE2-CE1 4.4Å; F130-F133 WeakPolarHBondContact O-CB 3.22Å; F130-F133 PolarHBondContact O-N 2.86Å; F130-L134 HydrophobicContact CD1-CD1 4.14Å; F130-L134 HydrophobicContact CD2-CD1 4.37Å; F130-L134 HydrophobicContact CD2-CG 4.13Å; F130-L134 HydrophobicContact CE1-CD1 3.83Å; F130-L134 HydrophobicContact CE1-CG 4.48Å; F130-L134 HydrophobicContact CE2-CD1 4.04Å; F130-L134 HydrophobicContact CE2-CD2 3.84Å; F130-L134 HydrophobicContact CE2-CG 3.79Å; F130-L134 HydrophobicContact CG-CD1 4.42Å; F130-L134 HydrophobicContact CZ-CD1 3.77Å; F130-L134 HydrophobicContact CZ-CD2 3.95Å; F130-L134 HydrophobicContact CZ-CG 3.99Å; F130-L134 WeakPolarHBondContact O-CG 3.46Å; F130-L134 PolarHBondContact O-N 3.4Å
131G98.7Very high97.8Very high5 Ų559.8 Ų59.85%0.05231%0.305CS..Hα-helixtrans-56.1-47.4170.900000113M127 G128 F133 L134 K135M127-G131 PolarHBondContact O-N 2.79Å; G128-G131 PolarHBondContact O-N 3.29Å; G131-F133 VanDerWaalsContact C-N 3.34Å; G131-F133 PolarHBondContact O-N 2.87Å; G131-L134 PolarHBondContact O-N 3.23Å; G131-K135 PolarHBondContact O-N 2.98Å
132R98.5Very high97.6Very high160 Ų16051.9 Ų51.960%0.60427%0.268SS*.Hα-helixtrans-61.3-42.3175-74.4-172.6-76-98.95.8112.4G128 D129 F130 K135 D136G128-R132 PolarHBondContact O-N 3.46Å; G128-R132 VanDerWaalsContact O-N 3.15Å; D129-R132 PolarHBondContact O-N 3.1Å; D129-R132 IonicContact OD1-CZ 3.62Å; D129-R132 IonicContact OD1-NE 3.88Å; D129-R132 IonicContact OD1-NH2 2.62Å; D129-R132 PolarHBondContact OD1-NH2 2.8Å; F130-R132 PolarHBondContact O-N 3.13Å; R132-K135 PolarHBondContact O-N 3.21Å; R132-D136 PolarHBondContact O-N 3.4Å
133F98.5Very high97.4Very high59 Ų5953.3 Ų53.326%0.25927%0.274SS..Hα-helixtrans-59.9-46.2175.7165.8-93.5000111.7I123 D129 F130 G131 K135 D136 L137 T230 L234I123-F133 HydrophobicContact CG2-CD1 4.22Å; I123-F133 HydrophobicContact CG2-CE1 4.39Å; I123-F133 HydrophobicContact CG2-CG 4.35Å; D129-F133 PolarHBondContact O-N 2.79Å; F130-F133 AromaticContact CD2-CD1 3.89Å; F130-F133 HydrophobicContact CD2-CD1 3.89Å; F130-F133 AromaticContact CE2-CD1 3.97Å; F130-F133 HydrophobicContact CE2-CD1 3.97Å; F130-F133 HydrophobicContact CE2-CE1 4.4Å; F130-F133 WeakPolarHBondContact O-CB 3.22Å; F130-F133 PolarHBondContact O-N 2.86Å; G131-F133 VanDerWaalsContact C-N 3.34Å; G131-F133 PolarHBondContact O-N 2.87Å; F133-K135 VanDerWaalsContact C-N 3.33Å; F133-K135 PolarHBondContact O-N 3.28Å; F133-D136 PolarHBondContact O-N 3.47Å; F133-L137 HydrophobicContact CE1-CD2 4.04Å; F133-L137 HydrophobicContact CZ-CB 4.34Å; F133-L137 HydrophobicContact CZ-CD2 3.91Å; F133-L137 WeakPolarHBondContact O-CB 3.06Å; F133-L137 PolarHBondContact O-N 3.09Å; F133-T230 HydrophobicContact CE1-CG2 3.88Å; F133-L234 HydrophobicContact CE1-CD1 3.95Å; F133-L234 HydrophobicContact CE2-CD2 4.41Å; F133-L234 HydrophobicContact CZ-CD1 3.7Å; F133-L234 HydrophobicContact CZ-CD2 3.9Å; F133-L234 HydrophobicContact CZ-CG 4.19Å
134L98.7Very high97.1Very high0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-62.5-43.2176.7-69.7168.4000111I101 L105 M110 F130 G131 D136 L137 W138 I226 T230I101-L134 HydrophobicContact CD1-CB 3.73Å; L105-L134 HydrophobicContact CD2-CD1 4.11Å; M110-L134 HydrophobicContact CE-CD1 3.33Å; M110-L134 HydrophobicContact CE-CD2 4.1Å; M110-L134 HydrophobicContact CE-CG 4.34Å; F130-L134 HydrophobicContact CD1-CD1 4.14Å; F130-L134 HydrophobicContact CD2-CD1 4.37Å; F130-L134 HydrophobicContact CD2-CG 4.13Å; F130-L134 HydrophobicContact CE1-CD1 3.83Å; F130-L134 HydrophobicContact CE1-CG 4.48Å; F130-L134 HydrophobicContact CE2-CD1 4.04Å; F130-L134 HydrophobicContact CE2-CD2 3.84Å; F130-L134 HydrophobicContact CE2-CG 3.79Å; F130-L134 HydrophobicContact CG-CD1 4.42Å; F130-L134 HydrophobicContact CZ-CD1 3.77Å; F130-L134 HydrophobicContact CZ-CD2 3.95Å; F130-L134 HydrophobicContact CZ-CG 3.99Å; F130-L134 WeakPolarHBondContact O-CG 3.46Å; F130-L134 PolarHBondContact O-N 3.4Å; G131-L134 PolarHBondContact O-N 3.23Å; L134-D136 VanDerWaalsContact C-N 3.33Å; L134-D136 PolarHBondContact O-N 2.99Å; L134-L137 PolarHBondContact O-N 2.79Å; L134-W138 WeakPolarHBondContact O-CB 3.5Å; L134-W138 VanDerWaalsContact O-CD1 3.23Å; L134-W138 PolarHBondContact O-N 2.82Å; L134-I226 HydrophobicContact CD2-CG2 4.28Å; L134-T230 HydrophobicContact CD2-CG2 4.04Å
135K98.5Very high96.9Very high41 Ų4157.7 Ų57.718%0.17827%0.274CS..Hα-helixtrans-58.4-46.8177.6-167.4175.9-178.7179.50111.4N94 E97 D98 I101 G131 R132 F133 F139N94-K135 PolarHBondContact OD1-NZ 3.02Å; E97-K135 WeakPolarHBondContact OE2-CE 3.35Å; D98-K135 WeakPolarHBondContact OD1-CD 3.38Å; D98-K135 WeakPolarHBondContact OD1-CE 3.23Å; D98-K135 IonicContact OD1-NZ 2.69Å; D98-K135 PolarHBondContact OD1-NZ 3Å; D98-K135 IonicContact OD2-NZ 2.64Å; D98-K135 PolarHBondContact OD2-NZ 2.6Å; I101-K135 HydrophobicContact CD1-CB 4.48Å; I101-K135 HydrophobicContact CG1-CB 4.13Å; I101-K135 HydrophobicContact CG1-CG 4.49Å; G131-K135 PolarHBondContact O-N 2.98Å; R132-K135 PolarHBondContact O-N 3.21Å; F133-K135 VanDerWaalsContact C-N 3.33Å; F133-K135 PolarHBondContact O-N 3.28Å; K135-F139 HydrophobicContact CG-CD2 4.08Å; K135-F139 WeakPolarHBondContact O-CA 3.44Å; K135-F139 WeakPolarHBondContact O-CB 3.32Å; K135-F139 PolarHBondContact O-N 3.28Å
136D97.9Very high96.5Very high78 Ų7862.7 Ų62.742%0.41728%0.278SS..Hα-helixtrans-63.5-48.9176.9-16971.4000111.5R132 F133 L134 W138 K140R132-D136 PolarHBondContact O-N 3.4Å; F133-D136 PolarHBondContact O-N 3.47Å; L134-D136 VanDerWaalsContact C-N 3.33Å; L134-D136 PolarHBondContact O-N 2.99Å; D136-W138 VanDerWaalsContact C-N 3.34Å; D136-W138 PolarHBondContact O-N 2.82Å; D136-K140 WeakPolarHBondContact O-CB 3.32Å; D136-K140 PolarHBondContact O-N 2.81Å; D136-K140 VanDerWaalsContact O-N 3.12Å; D136-K140 WeakPolarHBondContact OD1-CD 3.18Å
137L98.2Very high96.3Very high8 Ų859.9 Ų59.94%0.04228%0.275CS..Hα-helixtrans-59.6-43.5-178.4177.962.2000112.8F133 L134 A152 T230 F233 L262F133-L137 HydrophobicContact CE1-CD2 4.04Å; F133-L137 HydrophobicContact CZ-CB 4.34Å; F133-L137 HydrophobicContact CZ-CD2 3.91Å; F133-L137 WeakPolarHBondContact O-CB 3.06Å; F133-L137 PolarHBondContact O-N 3.09Å; L134-L137 PolarHBondContact O-N 2.79Å; L137-A152 WeakPolarHBondContact O-CB 3.32Å; L137-T230 HydrophobicContact CD2-CG2 3.86Å; L137-F233 HydrophobicContact CD1-CD1 3.78Å; L137-F233 HydrophobicContact CD1-CE1 3.51Å; L137-F233 HydrophobicContact CD1-CZ 4.17Å; L137-F233 HydrophobicContact CD2-CD1 4.23Å; L137-L262 HydrophobicContact CD1-CB 3.96Å
138W98.6Very high96Very high1 Ų157.9 Ų57.90%0.00427%0.268CS..Hα-helixtrans-90.9-40.4-170.4-72.3103.3000113.1L134 D136 A152 F153 I156 F157 I226 Y229 T230 L262L134-W138 WeakPolarHBondContact O-CB 3.5Å; L134-W138 VanDerWaalsContact O-CD1 3.23Å; L134-W138 PolarHBondContact O-N 2.82Å; D136-W138 VanDerWaalsContact C-N 3.34Å; D136-W138 PolarHBondContact O-N 2.82Å; W138-A152 HydrophobicContact CE3-CB 4.08Å; W138-A152 HydrophobicContact CZ3-CB 4.45Å; W138-A152 PolarHBondContact O-N 2.92Å; W138-F153 VanDerWaalsContact O-CB 3.27Å; W138-F153 WeakPolarHBondContact O-CB 3.26Å; W138-F153 PolarHBondContact O-N 2.68Å; W138-I156 HydrophobicContact CH2-CD1 4.15Å; W138-I156 HydrophobicContact CZ3-CD1 3.66Å; W138-F157 HydrophobicContact CE3-CD2 4.42Å; W138-F157 AromaticContact CE3-CE2 3.75Å; W138-F157 HydrophobicContact CE3-CE2 3.75Å; W138-F157 AromaticContact CH2-CE2 3.92Å; W138-F157 HydrophobicContact CH2-CE2 3.92Å; W138-F157 HydrophobicContact CH2-CZ 4.21Å; W138-F157 HydrophobicContact CZ3-CD2 4.18Å; W138-F157 AromaticContact CZ3-CE2 3.33Å; W138-F157 HydrophobicContact CZ3-CE2 3.33Å; W138-F157 HydrophobicContact CZ3-CZ 4.06Å; W138-I226 HydrophobicContact CD2-CD1 3.52Å; W138-I226 VanDerWaalsContact CE2-CD1 3.5Å; W138-I226 HydrophobicContact CE3-CD1 3.87Å; W138-I226 HydrophobicContact CG-CD1 3.97Å; W138-I226 HydrophobicContact CH2-CD1 4.14Å; W138-I226 HydrophobicContact CZ2-CD1 3.83Å; W138-I226 HydrophobicContact CZ2-CG2 4.44Å; W138-I226 HydrophobicContact CZ3-CD1 4.16Å; W138-Y229 AromaticContact CH2-CD2 3.93Å; W138-Y229 HydrophobicContact CH2-CD2 3.93Å; W138-Y229 HydrophobicContact CH2-CG 4.26Å; W138-T230 PolarHBondContact NE1-OG1 2.99Å; W138-L262 HydrophobicContact CH2-CD2 3.77Å; W138-L262 HydrophobicContact CZ2-CD2 4.24Å; W138-L262 HydrophobicContact CZ3-CD2 4.01Å
139F98Very high95.8Very high3 Ų356 Ų561%0.01325%0.248CC..Hα-helixtrans-109.3-10.5-170.3-58.9-67.6000114L75 E97 F100 I101 K135 R141 F153L75-F139 HydrophobicContact CD1-CE1 3.92Å; L75-F139 HydrophobicContact CD1-CZ 3.75Å; L75-F139 HydrophobicContact CD2-CE1 4.44Å; E97-F139 HydrophobicContact CB-CD2 4.13Å; E97-F139 HydrophobicContact CB-CE2 4.29Å; E97-F139 HydrophobicContact CB-CG 4.3Å; E97-F139 HydrophobicContact CG-CB 4.35Å; E97-F139 HydrophobicContact CG-CD1 3.76Å; E97-F139 HydrophobicContact CG-CD2 4.13Å; E97-F139 HydrophobicContact CG-CE1 4.03Å; E97-F139 HydrophobicContact CG-CE2 4.39Å; E97-F139 HydrophobicContact CG-CG 3.82Å; E97-F139 HydrophobicContact CG-CZ 4.35Å; F100-F139 HydrophobicContact CD1-CE2 4.15Å; F100-F139 AromaticContact CD1-CZ 3.73Å; F100-F139 HydrophobicContact CD1-CZ 3.73Å; F100-F139 HydrophobicContact CE1-CZ 4.2Å; I101-F139 HydrophobicContact CD1-CD2 4.45Å; I101-F139 HydrophobicContact CD1-CE2 3.87Å; I101-F139 HydrophobicContact CG1-CD2 4.5Å; I101-F139 HydrophobicContact CG1-CE2 4.01Å; K135-F139 HydrophobicContact CG-CD2 4.08Å; K135-F139 WeakPolarHBondContact O-CA 3.44Å; K135-F139 WeakPolarHBondContact O-CB 3.32Å; K135-F139 PolarHBondContact O-N 3.28Å; F139-R141 WeakPolarHBondContact O-CD 3.47Å; F139-R141 PolarHBondContact O-N 3.04Å; F139-R141 PolarHBondContact O-NH1 2.88Å; F139-F153 HydrophobicContact CD1-CB 3.83Å; F139-F153 HydrophobicContact CD1-CD1 4.45Å; F139-F153 HydrophobicContact CD1-CD2 4.4Å; F139-F153 AromaticContact CD1-CG 3.99Å; F139-F153 HydrophobicContact CD1-CG 3.99Å; F139-F153 HydrophobicContact CE1-CB 3.72Å; F139-F153 AromaticContact CE1-CD1 3.85Å; F139-F153 HydrophobicContact CE1-CD1 3.85Å; F139-F153 AromaticContact CE1-CD2 3.46Å; F139-F153 HydrophobicContact CE1-CD2 3.46Å; F139-F153 VanDerWaalsContact CE1-CD2 3.46Å; F139-F153 HydrophobicContact CE1-CE1 4.34Å; F139-F153 AromaticContact CE1-CE2 3.99Å; F139-F153 HydrophobicContact CE1-CE2 3.99Å; F139-F153 AromaticContact CE1-CG 3.38Å; F139-F153 HydrophobicContact CE1-CG 3.38Å; F139-F153 HydrophobicContact CE1-CZ 4.41Å; F139-F153 AromaticContact CZ-CD2 3.77Å; F139-F153 HydrophobicContact CZ-CD2 3.77Å; F139-F153 HydrophobicContact CZ-CE2 4.13Å; F139-F153 HydrophobicContact CZ-CG 4.17Å
140K96.4Very high95.7Very high89 Ų8953.1 Ų53.139%0.38723%0.233SC..  trans-60.4121.2174.7-176.9-172.5-170.5168.80109.8D136 Y142D136-K140 WeakPolarHBondContact O-CB 3.32Å; D136-K140 PolarHBondContact O-N 2.81Å; D136-K140 VanDerWaalsContact O-N 3.12Å; D136-K140 WeakPolarHBondContact OD1-CD 3.18Å; K140-Y142 PolarHBondContact O-N 2.74Å
141R96.4Very high95.6Very high49 Ų4953 Ų5319%0.18523%0.233CC..  trans-74.7123175.2-70.784.6-178.8149.4-7.5109.3E87 V89 E97 F139 S150E87-R141 HydrophobicContact CB-CG 4.18Å; E87-R141 HydrophobicContact CG-CG 4.38Å; V89-R141 VanDerWaalsContact CG2-CZ 3.45Å; V89-R141 VanDerWaalsContact CG2-NE 3.34Å; E97-R141 IonicContact OE1-CZ 2.81Å; E97-R141 IonicContact OE1-NH1 3.51Å; E97-R141 PolarHBondContact OE1-NH1 2.7Å; E97-R141 IonicContact OE1-NH2 2.58Å; E97-R141 PolarHBondContact OE1-NH2 3.18Å; E97-R141 IonicContact OE2-NH1 3.96Å; E97-R141 PolarHBondContact OE2-NH1 3.18Å; F139-R141 WeakPolarHBondContact O-CD 3.47Å; F139-R141 PolarHBondContact O-N 3.04Å; F139-R141 PolarHBondContact O-NH1 2.88Å; R141-S150 CarbonylContact C-O 3.38Å; R141-S150 VanDerWaalsContact CA-O 3.23Å; R141-S150 WeakPolarHBondContact CA-O 3.37Å
142Y94.6Very high95.6Very high9 Ų952.8 Ų52.84%0.03523%0.23CC..BIsolated β-bridgetrans-112.5-176.6177.152.4-118.5000110.5K140 R144 G148 D149 S150 S151 A152 L257 E261 L262K140-Y142 PolarHBondContact O-N 2.74Å; Y142-R144 HydrophobicContact CE2-CB 4.46Å; Y142-R144 PolarHBondContact OH-NH2 3Å; Y142-G148 WeakPolarHBondContact O-CA 3.33Å; Y142-G148 PolarHBondContact O-N 3.46Å; Y142-G148 VanDerWaalsContact O-N 3.13Å; Y142-D149 PolarHBondContact O-N 3.37Å; Y142-D149 VanDerWaalsContact O-N 3.15Å; Y142-S150 WeakPolarHBondContact CE2-OG 3.29Å; Y142-S150 PolarHBondContact N-O 3.13Å; Y142-S151 PolarHBondContact OH-O 3.12Å; Y142-A152 HydrophobicContact CE1-CB 4.45Å; Y142-L257 HydrophobicContact CD1-CD1 4.3Å; Y142-L257 HydrophobicContact CD2-CD1 3.26Å; Y142-L257 HydrophobicContact CE1-CD1 4.18Å; Y142-L257 HydrophobicContact CE2-CD1 3.14Å; Y142-L257 HydrophobicContact CG-CD1 3.86Å; Y142-E261 WeakPolarHBondContact CB-OE1 3.46Å; Y142-E261 HydrophobicContact CD1-CB 4.14Å; Y142-E261 HydrophobicContact CD1-CG 4.23Å; Y142-L262 VanDerWaalsContact CE1-O 3.31Å; Y142-L262 WeakPolarHBondContact CE1-O 3.35Å; Y142-L262 PolarHBondContact OH-O 3.45Å
143K93.1Very high95.6Very high134 Ų13445.2 Ų45.258%0.58320%0.201SC*.  trans-96.3112.6174.9177.7177178-175.10110.3R145 R146K143-R145 WeakPolarHBondContact CE-O 3.26Å; K143-R146 WeakPolarHBondContact CA-O 3.28Å; K143-R146 WeakPolarHBondContact CG-O 3.47Å
144R90.3Very high95.6Very high63 Ų6342.4 Ų42.424%0.23819%0.189CC..SBendtrans-95.7-39.3163.7-171.3170.3-71-97.1-3.7111.1V83 Y142 D149 S150 H155 E160 S263V83-R144 HydrophobicContact CG1-CB 4.03Å; V83-R144 HydrophobicContact CG1-CG 3.83Å; Y142-R144 HydrophobicContact CE2-CB 4.46Å; Y142-R144 PolarHBondContact OH-NH2 3Å; R144-D149 WeakPolarHBondContact CB-OD1 3.25Å; R144-D149 PolarHBondContact N-OD1 3.33Å; R144-S150 PolarHBondContact NE-OG 3Å; R144-H155 PolarHBondContact NH1-CE1 3.49Å; R144-H155 PolarHBondContact NH1-ND1 2.7Å; R144-E160 IonicContact CZ-OE2 3.81Å; R144-E160 IonicContact NE-OE1 3.65Å; R144-E160 IonicContact NE-OE2 2.72Å; R144-E160 PolarHBondContact NE-OE2 3.41Å; R144-S263 PolarHBondContact NH2-O 3.49Å; R144-S263 PolarHBondContact NH2-OG 3.18Å
145R90.6Very high95.5Very high148 Ų14842.9 Ų42.956%0.55819%0.191SC*.SBendtrans-135.8-47.3171.4-176.4176.6-176.3178.2-2112.2V83 K143 D149V83-R145 HydrophobicContact CG1-CB 3.74Å; K143-R145 WeakPolarHBondContact CE-O 3.26Å; R145-D149 VanDerWaalsContact CA-OD2 3.31Å; R145-D149 WeakPolarHBondContact CA-OD2 3.41Å; R145-D149 VanDerWaalsContact CB-OD2 3.28Å; R145-D149 WeakPolarHBondContact CB-OD2 3.39Å; R145-D149 PolarHBondContact N-OD1 3.46Å; R145-D149 PolarHBondContact N-OD2 3.08Å
146R89.7Confident95.5Very high152 Ų15241 Ų4157%0.57418%0.183SC*.SBendtrans-114.7154.6173.1-174.9176.4175.3159.81.3109.1G84 T86 K143 G148 D149G84-R146 WeakPolarHBondContact O-CB 3.44Å; G84-R146 VanDerWaalsContact O-CD 3.22Å; G84-R146 WeakPolarHBondContact O-CD 3.22Å; T86-R146 VanDerWaalsContact OG1-CD 3.26Å; T86-R146 WeakPolarHBondContact OG1-CD 3.34Å; T86-R146 WeakPolarHBondContact OG1-CG 3.35Å; T86-R146 PolarHBondContact OG1-NE 3.49Å; T86-R146 VanDerWaalsContact OG1-NE 3.08Å; K143-R146 WeakPolarHBondContact CA-O 3.28Å; K143-R146 WeakPolarHBondContact CG-O 3.47Å; R146-G148 PolarHBondContact O-N 3.32Å; R146-D149 HydrophobicContact CB-CB 4.11Å; R146-D149 PolarHBondContact N-OD2 3.18Å; R146-D149 WeakPolarHBondContact O-CB 3.1Å; R146-D149 PolarHBondContact O-N 2.58Å
147T92Very high95.5Very high103 Ų10337.2 Ų37.263%0.63216%0.163SC*.THydrogen-bonded Turntrans-60.1128.9177.7-55.90000110.5T86T86-T147 WeakPolarHBondContact CG2-O 3.39Å; T86-T147 PolarHBondContact OG1-O 2.68Å
148G92.4Very high95.5Very high12 Ų1237.4 Ų37.412%0.12416%0.164CC..THydrogen-bonded Turntrans72.431.8174.900000113.9E87 Y142 R146E87-G148 PolarHBondContact N-O 3.4Å; Y142-G148 WeakPolarHBondContact O-CA 3.33Å; Y142-G148 PolarHBondContact O-N 3.46Å; Y142-G148 VanDerWaalsContact O-N 3.13Å; R146-G148 PolarHBondContact O-N 3.32Å
149D93.8Very high95.4Very high0 Ų037.5 Ų37.50%017%0.166CC..  trans-106.77.8-172.775.4-28.1000114.6G84 V85 Y142 R144 R145 R146G84-D149 WeakPolarHBondContact CA-OD2 3.5Å; G84-D149 PolarHBondContact N-OD2 2.96Å; V85-D149 VanDerWaalsContact O-CA 3.24Å; V85-D149 WeakPolarHBondContact O-CA 3.41Å; V85-D149 VanDerWaalsContact O-CB 3.22Å; V85-D149 WeakPolarHBondContact O-CB 3.43Å; Y142-D149 PolarHBondContact O-N 3.37Å; Y142-D149 VanDerWaalsContact O-N 3.15Å; R144-D149 WeakPolarHBondContact CB-OD1 3.25Å; R144-D149 PolarHBondContact N-OD1 3.33Å; R145-D149 VanDerWaalsContact CA-OD2 3.31Å; R145-D149 WeakPolarHBondContact CA-OD2 3.41Å; R145-D149 VanDerWaalsContact CB-OD2 3.28Å; R145-D149 WeakPolarHBondContact CB-OD2 3.39Å; R145-D149 PolarHBondContact N-OD1 3.46Å; R145-D149 PolarHBondContact N-OD2 3.08Å; R146-D149 HydrophobicContact CB-CB 4.11Å; R146-D149 PolarHBondContact N-OD2 3.18Å; R146-D149 WeakPolarHBondContact O-CB 3.1Å; R146-D149 PolarHBondContact O-N 2.58Å
150S96.2Very high95.3Very high0 Ų037.4 Ų37.40%017%0.166CC..BIsolated β-bridgetrans-165.1154.7-175-174.40000109.5R141 Y142 R144 E154 E160R141-S150 CarbonylContact C-O 3.38Å; R141-S150 VanDerWaalsContact CA-O 3.23Å; R141-S150 WeakPolarHBondContact CA-O 3.37Å; Y142-S150 WeakPolarHBondContact CE2-OG 3.29Å; Y142-S150 PolarHBondContact N-O 3.13Å; R144-S150 PolarHBondContact NE-OG 3Å; S150-E154 WeakPolarHBondContact CA-OE2 3.47Å; S150-E160 WeakPolarHBondContact CB-OE1 3.47Å; S150-E160 PolarHBondContact OG-OE1 3.02Å
151S97.4Very high95.2Very high0 Ų033.9 Ų33.90%015%0.15CC..  trans-138.2166.5167.464.80000111.1Y142 F153 E154 H155Y142-S151 PolarHBondContact OH-O 3.12Å; S151-F153 VanDerWaalsContact C-N 3.29Å; S151-F153 PolarHBondContact O-N 3.41Å; S151-E154 PolarHBondContact N-OE2 3.19Å; S151-E154 WeakPolarHBondContact OG-CB 3.37Å; S151-E154 PolarHBondContact OG-N 2.82Å; S151-H155 WeakPolarHBondContact O-CB 3.45Å; S151-H155 PolarHBondContact O-N 2.04Å
152A98Very high94.9Very high0 Ų036.7 Ų36.70%016%0.164CC..Hα-helixtrans-61.8-41.6175.800000111.3L137 W138 Y142 I156 L262L137-A152 WeakPolarHBondContact O-CB 3.32Å; W138-A152 HydrophobicContact CE3-CB 4.08Å; W138-A152 HydrophobicContact CZ3-CB 4.45Å; W138-A152 PolarHBondContact O-N 2.92Å; Y142-A152 HydrophobicContact CE1-CB 4.45Å; A152-I156 HydrophobicContact CB-CD1 4.46Å; A152-I156 VanDerWaalsContact O-CB 3.27Å; A152-I156 WeakPolarHBondContact O-CB 3.34Å; A152-I156 WeakPolarHBondContact O-CD1 3.42Å; A152-I156 VanDerWaalsContact O-CG1 3.25Å; A152-I156 WeakPolarHBondContact O-CG1 3.28Å; A152-I156 PolarHBondContact O-N 2.88Å; A152-L262 HydrophobicContact CB-CB 3.96Å; A152-L262 HydrophobicContact CB-CD2 4.32Å; A152-L262 HydrophobicContact CB-CG 4.24Å; A152-L262 WeakPolarHBondContact CB-O 3.48Å
153F98.5Very high94.7Very high0 Ų043.4 Ų43.40%019%0.193CC..Hα-helixtrans-61.2-52.2178.2-177.2-88000111.4F72 L75 L76 Y79 F100 W138 F139 S151 H155 I156 F157 V158F72-F153 AromaticContact CD2-CE2 3.8Å; F72-F153 HydrophobicContact CD2-CE2 3.8Å; F72-F153 AromaticContact CD2-CZ 3.9Å; F72-F153 HydrophobicContact CD2-CZ 3.9Å; F72-F153 AromaticContact CE2-CE2 3.59Å; F72-F153 HydrophobicContact CE2-CE2 3.59Å; F72-F153 AromaticContact CE2-CZ 3.69Å; F72-F153 HydrophobicContact CE2-CZ 3.69Å; F72-F153 HydrophobicContact CZ-CZ 4.43Å; L75-F153 HydrophobicContact CB-CE1 3.74Å; L75-F153 HydrophobicContact CB-CZ 3.68Å; L75-F153 HydrophobicContact CD1-CE1 4.24Å; L75-F153 HydrophobicContact CD1-CE2 3.85Å; L75-F153 HydrophobicContact CD1-CZ 3.6Å; L75-F153 HydrophobicContact CG-CZ 4.3Å; L76-F153 HydrophobicContact CD2-CE1 4.28Å; L76-F153 HydrophobicContact CD2-CZ 4.23Å; Y79-F153 AromaticContact CE2-CD1 3.75Å; Y79-F153 HydrophobicContact CE2-CD1 3.75Å; Y79-F153 AromaticContact CE2-CE1 3.78Å; Y79-F153 HydrophobicContact CE2-CE1 3.78Å; Y79-F153 AromaticContact CZ-CD1 3.66Å; Y79-F153 VanDerWaalsContact OH-CD1 3.3Å; Y79-F153 WeakPolarHBondContact OH-CD1 3.36Å; F100-F153 HydrophobicContact CE1-CE2 4.25Å; W138-F153 VanDerWaalsContact O-CB 3.27Å; W138-F153 WeakPolarHBondContact O-CB 3.26Å; W138-F153 PolarHBondContact O-N 2.68Å; F139-F153 HydrophobicContact CD1-CB 3.83Å; F139-F153 HydrophobicContact CD1-CD1 4.45Å; F139-F153 HydrophobicContact CD1-CD2 4.4Å; F139-F153 AromaticContact CD1-CG 3.99Å; F139-F153 HydrophobicContact CD1-CG 3.99Å; F139-F153 HydrophobicContact CE1-CB 3.72Å; F139-F153 AromaticContact CE1-CD1 3.85Å; F139-F153 HydrophobicContact CE1-CD1 3.85Å; F139-F153 AromaticContact CE1-CD2 3.46Å; F139-F153 HydrophobicContact CE1-CD2 3.46Å; F139-F153 VanDerWaalsContact CE1-CD2 3.46Å; F139-F153 HydrophobicContact CE1-CE1 4.34Å; F139-F153 AromaticContact CE1-CE2 3.99Å; F139-F153 HydrophobicContact CE1-CE2 3.99Å; F139-F153 AromaticContact CE1-CG 3.38Å; F139-F153 HydrophobicContact CE1-CG 3.38Å; F139-F153 HydrophobicContact CE1-CZ 4.41Å; F139-F153 AromaticContact CZ-CD2 3.77Å; F139-F153 HydrophobicContact CZ-CD2 3.77Å; F139-F153 HydrophobicContact CZ-CE2 4.13Å; F139-F153 HydrophobicContact CZ-CG 4.17Å; S151-F153 VanDerWaalsContact C-N 3.29Å; S151-F153 PolarHBondContact O-N 3.41Å; F153-H155 PolarHBondContact O-N 2.89Å; F153-I156 PolarHBondContact O-N 3.06Å; F153-F157 AromaticContact CD2-CD2 3.55Å; F153-F157 HydrophobicContact CD2-CD2 3.55Å; F153-F157 HydrophobicContact CD2-CE2 4.18Å; F153-F157 HydrophobicContact CD2-CG 4.36Å; F153-F157 HydrophobicContact CE1-CB 4.47Å; F153-F157 HydrophobicContact CE2-CB 4.35Å; F153-F157 AromaticContact CE2-CD2 3.87Å; F153-F157 HydrophobicContact CE2-CD2 3.87Å; F153-F157 HydrophobicContact CE2-CG 4.31Å; F153-F157 HydrophobicContact CG-CD2 4.08Å; F153-F157 HydrophobicContact CZ-CB 4.31Å; F153-F157 WeakPolarHBondContact O-CB 3.24Å; F153-F157 PolarHBondContact O-N 3.37Å; F153-V158 HydrophobicContact CD1-CG2 3.88Å; F153-V158 HydrophobicContact CE1-CG2 3.65Å
154E97.5Very high94.5Very high0 Ų044 Ų440%020%0.196CC..Iπ-helixtrans-56.6-52.1179.4-178.8-178.3-179.700111.7Y79 N80 S150 S151 I156 V158 G159 E160Y79-E154 HydrophobicContact CD1-CB 3.77Å; Y79-E154 HydrophobicContact CD1-CG 3.79Å; Y79-E154 HydrophobicContact CE1-CB 4.05Å; Y79-E154 HydrophobicContact CG-CB 4.23Å; Y79-E154 HydrophobicContact CG-CG 3.96Å; N80-E154 VanDerWaalsContact O-OE1 3.12Å; S150-E154 WeakPolarHBondContact CA-OE2 3.47Å; S151-E154 PolarHBondContact N-OE2 3.19Å; S151-E154 WeakPolarHBondContact OG-CB 3.37Å; S151-E154 PolarHBondContact OG-N 2.82Å; E154-I156 PolarHBondContact O-N 2.79Å; E154-V158 WeakPolarHBondContact O-CA 3.15Å; E154-V158 WeakPolarHBondContact O-CB 3.22Å; E154-V158 PolarHBondContact O-N 2.96Å; E154-G159 PolarHBondContact O-N 3.08Å; E154-E160 HydrophobicContact CG-CG 3.95Å
155H97.5Very high94.7Very high11 Ų1145.2 Ų45.25%0.05121%0.206CC..Iπ-helixtrans-60.4-50.5179.1-174.582.5000111.8R144 S151 F153 E160 G168 L169 S263 T264R144-H155 PolarHBondContact NH1-CE1 3.49Å; R144-H155 PolarHBondContact NH1-ND1 2.7Å; S151-H155 WeakPolarHBondContact O-CB 3.45Å; S151-H155 PolarHBondContact O-N 2.04Å; F153-H155 PolarHBondContact O-N 2.89Å; H155-E160 IonicContact CE1-OE2 3.99Å; H155-E160 IonicContact CG-OE2 2.66Å; H155-E160 IonicContact ND1-OE2 3.09Å; H155-E160 PolarHBondContact ND1-OE2 2.75Å; H155-G168 CarbonylContact O-C 3.59Å; H155-G168 WeakPolarHBondContact O-CA 3.36Å; H155-L169 PolarHBondContact O-N 2.93Å; H155-L169 VanDerWaalsContact O-N 3.08Å; H155-S263 PolarHBondContact CD2-O 3.1Å; H155-T264 VanDerWaalsContact CD2-CB 3.44Å; H155-T264 WeakPolarHBondContact CD2-CB 3.39Å; H155-T264 PolarHBondContact CD2-OG1 2.86Å; H155-T264 WeakPolarHBondContact NE2-CB 3.26Å; H155-T264 PolarHBondContact NE2-OG1 3.31Å
156I98.4Very high94.9Very high0 Ų038.6 Ų38.60%018%0.182CC..Iπ-helixtrans-76.7-42.7-169.8-65.5166000111.6W138 A152 F153 E154 H170 Y229 L262 C265W138-I156 HydrophobicContact CH2-CD1 4.15Å; W138-I156 HydrophobicContact CZ3-CD1 3.66Å; A152-I156 HydrophobicContact CB-CD1 4.46Å; A152-I156 VanDerWaalsContact O-CB 3.27Å; A152-I156 WeakPolarHBondContact O-CB 3.34Å; A152-I156 WeakPolarHBondContact O-CD1 3.42Å; A152-I156 VanDerWaalsContact O-CG1 3.25Å; A152-I156 WeakPolarHBondContact O-CG1 3.28Å; A152-I156 PolarHBondContact O-N 2.88Å; F153-I156 PolarHBondContact O-N 3.06Å; E154-I156 PolarHBondContact O-N 2.79Å; I156-H170 HydrophobicContact CG2-CB 4.47Å; I156-H170 PolarHBondContact O-N 3.46Å; I156-Y229 HydrophobicContact CG2-CD2 4.08Å; I156-Y229 HydrophobicContact CG2-CE2 3.89Å; I156-L262 HydrophobicContact CD1-CD2 3.61Å; I156-L262 HydrophobicContact CD1-CG 3.95Å; I156-C265 HydrophobicContact CD1-CB 4.14Å; I156-C265 VanDerWaalsContact CG2-O 3.28Å; I156-C265 WeakPolarHBondContact CG2-O 3.27Å
157F98.5Very high95.1Very high0 Ų033.5 Ų33.50%017%0.166CC..Iπ-helixtrans-103-40-169.4-64.7-69.6000113.7F72 W138 F153 N171 Q174 D225 I226 Y229F72-F157 HydrophobicContact CE2-CB 3.97Å; F72-F157 AromaticContact CE2-CD1 3.78Å; F72-F157 HydrophobicContact CE2-CD1 3.78Å; F72-F157 HydrophobicContact CE2-CD2 4.34Å; F72-F157 HydrophobicContact CE2-CE1 4.42Å; F72-F157 AromaticContact CE2-CG 3.79Å; F72-F157 HydrophobicContact CE2-CG 3.79Å; F72-F157 HydrophobicContact CZ-CB 3.79Å; F72-F157 AromaticContact CZ-CD1 3.75Å; F72-F157 HydrophobicContact CZ-CD1 3.75Å; F72-F157 AromaticContact CZ-CG 3.93Å; F72-F157 HydrophobicContact CZ-CG 3.93Å; W138-F157 HydrophobicContact CE3-CD2 4.42Å; W138-F157 AromaticContact CE3-CE2 3.75Å; W138-F157 HydrophobicContact CE3-CE2 3.75Å; W138-F157 AromaticContact CH2-CE2 3.92Å; W138-F157 HydrophobicContact CH2-CE2 3.92Å; W138-F157 HydrophobicContact CH2-CZ 4.21Å; W138-F157 HydrophobicContact CZ3-CD2 4.18Å; W138-F157 AromaticContact CZ3-CE2 3.33Å; W138-F157 HydrophobicContact CZ3-CE2 3.33Å; W138-F157 HydrophobicContact CZ3-CZ 4.06Å; F153-F157 AromaticContact CD2-CD2 3.55Å; F153-F157 HydrophobicContact CD2-CD2 3.55Å; F153-F157 HydrophobicContact CD2-CE2 4.18Å; F153-F157 HydrophobicContact CD2-CG 4.36Å; F153-F157 HydrophobicContact CE1-CB 4.47Å; F153-F157 HydrophobicContact CE2-CB 4.35Å; F153-F157 AromaticContact CE2-CD2 3.87Å; F153-F157 HydrophobicContact CE2-CD2 3.87Å; F153-F157 HydrophobicContact CE2-CG 4.31Å; F153-F157 HydrophobicContact CG-CD2 4.08Å; F153-F157 HydrophobicContact CZ-CB 4.31Å; F153-F157 WeakPolarHBondContact O-CB 3.24Å; F153-F157 PolarHBondContact O-N 3.37Å; F157-N171 HydrophobicContact CB-CB 4.41Å; F157-N171 HydrophobicContact CD1-CB 3.61Å; F157-N171 HydrophobicContact CE1-CB 4.41Å; F157-N171 HydrophobicContact CG-CB 4.49Å; F157-Q174 VanDerWaalsContact O-CB 3.26Å; F157-Q174 WeakPolarHBondContact O-CB 3.45Å; F157-Q174 WeakPolarHBondContact O-CG 3.29Å; F157-D225 HydrophobicContact CE1-CB 3.76Å; F157-D225 HydrophobicContact CZ-CB 4.01Å; F157-I226 HydrophobicContact CE2-CD1 3.52Å; F157-I226 HydrophobicContact CE2-CG1 4.38Å; F157-I226 HydrophobicContact CZ-CD1 3.82Å; F157-I226 HydrophobicContact CZ-CG1 4.23Å; F157-Y229 HydrophobicContact CE1-CE2 4.25Å; F157-Y229 HydrophobicContact CZ-CD2 4.03Å; F157-Y229 HydrophobicContact CZ-CE2 4.17Å
158V98Very high95.3Very high11 Ų1128.7 Ų28.77%0.06714%0.137CC..Iπ-helixtrans-86-42.2-173.8-176.40000111.3L76 Y79 F153 E154 Q174L76-V158 HydrophobicContact CD2-CG2 4.01Å; Y79-V158 HydrophobicContact CD2-CB 4.45Å; Y79-V158 HydrophobicContact CD2-CG1 4.25Å; Y79-V158 HydrophobicContact CD2-CG2 3.64Å; Y79-V158 HydrophobicContact CE2-CG2 3.82Å; Y79-V158 HydrophobicContact CG-CG2 4.4Å; F153-V158 HydrophobicContact CD1-CG2 3.88Å; F153-V158 HydrophobicContact CE1-CG2 3.65Å; E154-V158 WeakPolarHBondContact O-CA 3.15Å; E154-V158 WeakPolarHBondContact O-CB 3.22Å; E154-V158 PolarHBondContact O-N 2.96Å; V158-Q174 PolarHBondContact O-NE2 2.8Å
159G96.4Very high95.6Very high4 Ų428.1 Ų28.14%0.04113%0.131CC..  trans95.2142.9-170.500000112E154E154-G159 PolarHBondContact O-N 3.08Å
160E95.8Very high95.8Very high1 Ų128.5 Ų28.51%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-129.1167.7174.9-60.7171.8132.100108.4P81 V83 R144 S150 E154 H155 L167P81-E160 CarbonylContact O-C 3.55Å; P81-E160 VanDerWaalsContact O-CA 3.22Å; P81-E160 WeakPolarHBondContact O-CA 3.16Å; P81-E160 WeakPolarHBondContact O-CB 3.32Å; V83-E160 HydrophobicContact CG2-CB 3.81Å; V83-E160 HydrophobicContact CG2-CG 4.28Å; R144-E160 IonicContact CZ-OE2 3.81Å; R144-E160 IonicContact NE-OE1 3.65Å; R144-E160 IonicContact NE-OE2 2.72Å; R144-E160 PolarHBondContact NE-OE2 3.41Å; S150-E160 WeakPolarHBondContact CB-OE1 3.47Å; S150-E160 PolarHBondContact OG-OE1 3.02Å; E154-E160 HydrophobicContact CG-CG 3.95Å; H155-E160 IonicContact CE1-OE2 3.99Å; H155-E160 IonicContact CG-OE2 2.66Å; H155-E160 IonicContact ND1-OE2 3.09Å; H155-E160 PolarHBondContact ND1-OE2 2.75Å; E160-L167 HydrophobicContact CB-CB 4.31Å; E160-L167 PolarHBondContact N-O 2.98Å; E160-L167 VanDerWaalsContact N-O 3.09Å; E160-L167 WeakPolarHBondContact O-CA 3.43Å; E160-L167 PolarHBondContact O-N 3.46Å; E160-L167 VanDerWaalsContact O-O 3.06Å
161H93.5Very high95.9Very high14 Ų1428.5 Ų28.57%0.06513%0.133CC..EExtended strand (participates in β ladder)trans-130.5149.2165.965.191000111.2P81 V83 K163 I165 M166 Y209P81-H161 PolarHBondContact O-CD2 2.83Å; P81-H161 PolarHBondContact O-N 3.06Å; V83-H161 PolarHBondContact N-O 3.43Å; V83-H161 VanDerWaalsContact N-O 3.13Å; H161-K163 PolarHBondContact ND1-O 2.96Å; H161-I165 VanDerWaalsContact CA-O 3.31Å; H161-I165 WeakPolarHBondContact CA-O 3.25Å; H161-M166 HydrophobicContact CB-SD 4.03Å; H161-Y209 HydrophobicContact CB-CD2 3.71Å; H161-Y209 HydrophobicContact CB-CE2 4.21Å; H161-Y209 AromaticContact CE1-CE2 3.77Å; H161-Y209 AromaticContact CG-CD2 3.72Å; H161-Y209 AromaticContact CG-CE2 3.73Å; H161-Y209 AromaticContact ND1-CD2 3.83Å; H161-Y209 AromaticContact ND1-CE2 3.38Å; H161-Y209 WeakPolarHBondContact ND1-CE2 3.02Å
162K91.1Very high95.9Very high109 Ų10928.5 Ų28.547%0.47413%0.133SC..EExtended strand (participates in β ladder)trans-126114.7172179180176.6-179.70108.6F164 I165 L167K162-F164 PolarHBondContact O-N 3.43Å; K162-I165 PolarHBondContact N-O 2.52Å; K162-I165 PolarHBondContact O-N 2.72Å; K162-L167 HydrophobicContact CB-CD1 3.67Å; K162-L167 HydrophobicContact CB-CG 4.35Å
163K89.3Confident96Very high149 Ų14928.5 Ų28.565%0.64813%0.133SC*.THydrogen-bonded Turntrans56-116.9-168-55.1178.7175.7-176.40108H161 Y209H161-K163 PolarHBondContact ND1-O 2.96Å; K163-Y209 WeakPolarHBondContact O-CE2 3.38Å
164F90.5Very high96Very high146 Ų14629.1 Ų29.164%0.6414%0.136SC*.THydrogen-bonded Turntrans-107.619.2-174.4-48.4-68.8000113.3K162 Y209 N210K162-F164 PolarHBondContact O-N 3.43Å; F164-Y209 HydrophobicContact CB-CD1 3.94Å; F164-Y209 HydrophobicContact CB-CE1 4.19Å; F164-Y209 HydrophobicContact CD1-CD1 4.12Å; F164-Y209 AromaticContact CD1-CE1 3.5Å; F164-Y209 HydrophobicContact CD1-CE1 3.5Å; F164-Y209 HydrophobicContact CE1-CE1 4.38Å; F164-Y209 HydrophobicContact CG-CE1 4.34Å; F164-Y209 WeakPolarHBondContact O-CA 3.5Å; F164-Y209 WeakPolarHBondContact O-CB 3.36Å; F164-N210 PolarHBondContact O-N 2.72Å; F164-N210 PolarHBondContact O-OD1 3.43Å
165I93.8Very high96Very high89 Ų8929.1 Ų29.146%0.45614%0.136SC..EExtended strand (participates in β ladder)trans-122.8130.7-176.4-60.1174.1000109.6H161 K162 L167H161-I165 VanDerWaalsContact CA-O 3.31Å; H161-I165 WeakPolarHBondContact CA-O 3.25Å; K162-I165 PolarHBondContact N-O 2.52Å; K162-I165 PolarHBondContact O-N 2.72Å; I165-L167 HydrophobicContact CG2-CD2 4.47Å
166M95Very high96.1Very high10 Ų1029.7 Ų29.75%0.04914%0.138CC..EExtended strand (participates in β ladder)trans-74.6134.3174-71.8-62.8-75.800111.5H161 L169 Y203 D205 Y209 N210 K211H161-M166 HydrophobicContact CB-SD 4.03Å; M166-L169 HydrophobicContact CE-CD2 4.5Å; M166-Y203 HydrophobicContact CE-CE2 4.5Å; M166-D205 HydrophobicContact CE-CB 3.88Å; M166-D205 HydrophobicContact CG-CB 4.13Å; M166-D205 HydrophobicContact SD-CB 3.68Å; M166-Y209 WeakPolarHBondContact CG-O 3.26Å; M166-N210 PolarHBondContact N-O 3.47Å; M166-N210 VanDerWaalsContact N-O 3.11Å; M166-K211 HydrophobicContact CB-CB 3.89Å; M166-K211 HydrophobicContact CB-CD 3.95Å; M166-K211 WeakPolarHBondContact O-CD 3.41Å
167L94.3Very high96.1Very high44 Ų4431 Ų3123%0.2315%0.145CC..EExtended strand (participates in β ladder)trans-119.5151.2179.1-59-176.9000109.3V83 E160 K162 I165 L169V83-L167 HydrophobicContact CG2-CD1 4.34Å; E160-L167 HydrophobicContact CB-CB 4.31Å; E160-L167 PolarHBondContact N-O 2.98Å; E160-L167 VanDerWaalsContact N-O 3.09Å; E160-L167 WeakPolarHBondContact O-CA 3.43Å; E160-L167 PolarHBondContact O-N 3.46Å; E160-L167 VanDerWaalsContact O-O 3.06Å; K162-L167 HydrophobicContact CB-CD1 3.67Å; K162-L167 HydrophobicContact CB-CG 4.35Å; I165-L167 HydrophobicContact CG2-CD2 4.47Å; L167-L169 PolarHBondContact O-N 2.91Å
168G96Very high96.1Very high2 Ų232.6 Ų32.62%0.02115%0.151CC..  trans64.5-137.7175.400000113.9H155 K211H155-G168 CarbonylContact O-C 3.59Å; H155-G168 WeakPolarHBondContact O-CA 3.36Å; G168-K211 VanDerWaalsContact N-NZ 3.15Å; G168-K211 PolarHBondContact O-NZ 3.22Å
169L97.8Very high96.1Very high1 Ų132.5 Ų32.51%0.00515%0.15CC..  trans53.672.6-176.4-176.256.7000111.9H155 M166 L167 Q174 I184 Y203H155-L169 PolarHBondContact O-N 2.93Å; H155-L169 VanDerWaalsContact O-N 3.08Å; M166-L169 HydrophobicContact CE-CD2 4.5Å; L167-L169 PolarHBondContact O-N 2.91Å; L169-Q174 HydrophobicContact CD1-CB 3.77Å; L169-Q174 HydrophobicContact CD1-CG 3.4Å; L169-I184 HydrophobicContact CD2-CD1 3.4Å; L169-I184 VanDerWaalsContact CD2-CD1 3.4Å; L169-Y203 WeakPolarHBondContact CB-OH 3.45Å; L169-Y203 HydrophobicContact CD2-CE2 4.08Å
170H97.9Very high96.1Very high8 Ų837.6 Ų37.64%0.03717%0.171CC..  trans-110.723.9-178-65.8-68.5000112.6I156 S215 Y266I156-H170 HydrophobicContact CG2-CB 4.47Å; I156-H170 PolarHBondContact O-N 3.46Å; H170-S215 WeakPolarHBondContact CA-O 3.31Å; H170-S215 PolarHBondContact ND1-O 2.94Å; H170-S215 VanDerWaalsContact ND1-O 3.16Å; H170-Y266 AromaticContact CD2-CD1 3.87Å; H170-Y266 AromaticContact CE1-CD1 3.65Å; H170-Y266 AromaticContact CE1-CG 3.61Å; H170-Y266 AromaticContact CG-CG 3.91Å; H170-Y266 WeakPolarHBondContact ND1-CB 3.4Å; H170-Y266 AromaticContact ND1-CG 3.63Å; H170-Y266 AromaticContact NE2-CD1 3.52Å; H170-Y266 AromaticContact NE2-CG 3.9Å
171N98.4Very high96.2Very high0 Ų044.4 Ų44.40%020%0.201CC..  trans-128.2131.1-175180-95.4000112.2F72 F157 I173 Q174 F175 D225F72-N171 WeakPolarHBondContact CE1-OD1 3.3Å; F72-N171 WeakPolarHBondContact CZ-OD1 3.17Å; F157-N171 HydrophobicContact CB-CB 4.41Å; F157-N171 HydrophobicContact CD1-CB 3.61Å; F157-N171 HydrophobicContact CE1-CB 4.41Å; F157-N171 HydrophobicContact CG-CB 4.49Å; N171-I173 VanDerWaalsContact OD1-CB 3.32Å; N171-I173 WeakPolarHBondContact OD1-CB 3.43Å; N171-I173 PolarHBondContact OD1-N 3.33Å; N171-I173 VanDerWaalsContact OD1-N 3.08Å; N171-Q174 PolarHBondContact OD1-N 2.95Å; N171-F175 WeakPolarHBondContact O-CB 3.28Å; N171-F175 PolarHBondContact O-N 2.94Å; N171-F175 VanDerWaalsContact O-N 3.11Å; N171-D225 PolarHBondContact ND2-OD2 2.95Å; N171-D225 VanDerWaalsContact ND2-OD2 3.13Å
172W98.5Very high96.4Very high0 Ų050.4 Ų50.40%023%0.233CC..Hα-helixtrans-72.4-29.4-173.274.5-92.5000112.9V26 F55 V58 I62 F63 F69 F175 Y176 V216 I218 S220V26-W172 HydrophobicContact CG1-CH2 4.37Å; V26-W172 HydrophobicContact CG1-CZ2 4.3Å; V26-W172 HydrophobicContact CG2-CH2 3.61Å; V26-W172 HydrophobicContact CG2-CZ2 3.49Å; V26-W172 VanDerWaalsContact CG2-CZ2 3.49Å; F55-W172 AromaticContact CE1-CE3 4Å; F55-W172 HydrophobicContact CE1-CE3 4Å; F55-W172 HydrophobicContact CZ-CB 4.13Å; F55-W172 HydrophobicContact CZ-CE3 4.14Å; V58-W172 HydrophobicContact CG1-CZ3 4.24Å; I62-W172 HydrophobicContact CD1-CH2 4.43Å; F63-W172 HydrophobicContact CE1-CH2 4.03Å; F63-W172 HydrophobicContact CE1-CZ3 4.35Å; F63-W172 HydrophobicContact CZ-CH2 4.38Å; F63-W172 HydrophobicContact CZ-CZ3 4.26Å; F69-W172 HydrophobicContact CE1-CH2 4.09Å; F69-W172 AromaticContact CE1-CZ2 3.7Å; F69-W172 HydrophobicContact CE1-CZ2 3.7Å; F69-W172 HydrophobicContact CZ-CZ2 4.25Å; W172-F175 PolarHBondContact O-N 3.13Å; W172-Y176 VanDerWaalsContact O-CB 3.31Å; W172-Y176 WeakPolarHBondContact O-CB 3.19Å; W172-Y176 PolarHBondContact O-N 3.34Å; W172-V216 HydrophobicContact CB-CB 4.38Å; W172-I218 HydrophobicContact CB-CB 4.38Å; W172-I218 HydrophobicContact CB-CG1 4Å; W172-S220 PolarHBondContact NE1-O 3.35Å
173I98.6Very high96.7Very high0 Ų047.5 Ų47.50%022%0.223CC..Hα-helixtrans-67.5-51.7-179.8-56.2168.3000109.1F63 F69 F72 I73 N171 F175 Y176 L177 P222F63-I173 HydrophobicContact CE1-CG2 4.05Å; F63-I173 HydrophobicContact CZ-CG2 4.32Å; F69-I173 HydrophobicContact CD1-CD1 3.64Å; F69-I173 HydrophobicContact CD1-CG1 4.38Å; F69-I173 HydrophobicContact CE1-CD1 3.57Å; F69-I173 HydrophobicContact CE1-CG1 4.16Å; F69-I173 HydrophobicContact CZ-CD1 4.42Å; F72-I173 HydrophobicContact CD1-CB 4.45Å; F72-I173 HydrophobicContact CD1-CD1 3.97Å; F72-I173 HydrophobicContact CD1-CG2 4.3Å; F72-I173 HydrophobicContact CE1-CB 4.03Å; F72-I173 HydrophobicContact CE1-CD1 4.04Å; F72-I173 HydrophobicContact CE1-CG2 4.26Å; I73-I173 HydrophobicContact CD1-CG2 3.98Å; I73-I173 HydrophobicContact CG1-CG2 3.82Å; N171-I173 VanDerWaalsContact OD1-CB 3.32Å; N171-I173 WeakPolarHBondContact OD1-CB 3.43Å; N171-I173 PolarHBondContact OD1-N 3.33Å; N171-I173 VanDerWaalsContact OD1-N 3.08Å; I173-F175 VanDerWaalsContact C-N 3.32Å; I173-F175 PolarHBondContact O-N 3.25Å; I173-Y176 PolarHBondContact O-N 3.26Å; I173-L177 HydrophobicContact CG2-CD1 4.03Å; I173-L177 VanDerWaalsContact O-CG 3.29Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 2.77Å; I173-P222 HydrophobicContact CD1-CG 3.86Å
174Q98.4Very high97Very high13 Ų1340.8 Ų40.86%0.06119%0.194CC..Hα-helixtrans-62.7-41.2176.6177.968.4-20.100111.5L76 F157 V158 L169 N171 L177 K178L76-Q174 HydrophobicContact CD1-CB 4.17Å; L76-Q174 VanDerWaalsContact CD1-OE1 3.25Å; L76-Q174 HydrophobicContact CD2-CB 4.38Å; F157-Q174 VanDerWaalsContact O-CB 3.26Å; F157-Q174 WeakPolarHBondContact O-CB 3.45Å; F157-Q174 WeakPolarHBondContact O-CG 3.29Å; V158-Q174 PolarHBondContact O-NE2 2.8Å; L169-Q174 HydrophobicContact CD1-CB 3.77Å; L169-Q174 HydrophobicContact CD1-CG 3.4Å; N171-Q174 PolarHBondContact OD1-N 2.95Å; Q174-L177 PolarHBondContact O-N 2.83Å; Q174-K178 HydrophobicContact CG-CD 4.49Å; Q174-K178 WeakPolarHBondContact O-CB 3.36Å; Q174-K178 PolarHBondContact O-N 2.84Å
175F98.6Very high97.4Very high0 Ų036.1 Ų36.10%018%0.176CC..Hα-helixtrans-57.7-50.5176-168.6-78.6000111.2L54 F55 N171 W172 I173 L177 K178 E179 I184 Y186 I201 Y203L54-F175 HydrophobicContact CB-CE1 4.28Å; L54-F175 HydrophobicContact CD2-CD1 4.46Å; L54-F175 HydrophobicContact CD2-CE1 3.96Å; F55-F175 HydrophobicContact CD2-CD1 4.13Å; F55-F175 AromaticContact CE2-CD1 3.71Å; F55-F175 HydrophobicContact CE2-CD1 3.71Å; F55-F175 HydrophobicContact CE2-CE1 4.4Å; N171-F175 WeakPolarHBondContact O-CB 3.28Å; N171-F175 PolarHBondContact O-N 2.94Å; N171-F175 VanDerWaalsContact O-N 3.11Å; W172-F175 PolarHBondContact O-N 3.13Å; I173-F175 VanDerWaalsContact C-N 3.32Å; I173-F175 PolarHBondContact O-N 3.25Å; F175-L177 PolarHBondContact O-N 3.06Å; F175-K178 PolarHBondContact O-N 3.42Å; F175-E179 HydrophobicContact CE1-CB 4.44Å; F175-E179 WeakPolarHBondContact O-CB 3.31Å; F175-E179 PolarHBondContact O-N 2.84Å; F175-I184 HydrophobicContact CD2-CD1 4.02Å; F175-I184 HydrophobicContact CD2-CG2 4.4Å; F175-I184 HydrophobicContact CE1-CG2 4.09Å; F175-I184 HydrophobicContact CE2-CD1 4.22Å; F175-I184 HydrophobicContact CE2-CG2 3.69Å; F175-I184 HydrophobicContact CZ-CG2 3.53Å; F175-Y186 HydrophobicContact CZ-CD2 4.49Å; F175-I201 HydrophobicContact CD2-CD1 3.84Å; F175-I201 HydrophobicContact CE1-CD1 4.34Å; F175-I201 HydrophobicContact CE2-CD1 3.29Å; F175-I201 HydrophobicContact CZ-CD1 3.57Å; F175-Y203 HydrophobicContact CD2-CE1 4.3Å; F175-Y203 AromaticContact CE2-CD1 3.56Å; F175-Y203 HydrophobicContact CE2-CD1 3.56Å; F175-Y203 HydrophobicContact CE2-CD2 4.23Å; F175-Y203 AromaticContact CE2-CE1 3.74Å; F175-Y203 HydrophobicContact CE2-CE1 3.74Å; F175-Y203 HydrophobicContact CE2-CE2 4.45Å; F175-Y203 AromaticContact CE2-CG 3.8Å; F175-Y203 HydrophobicContact CE2-CG 3.8Å; F175-Y203 HydrophobicContact CZ-CD1 4.3Å; F175-Y203 HydrophobicContact CZ-CG 4.36Å
176Y98.6Very high97.6Very high23 Ų2331.9 Ų31.99%0.0915%0.154CC..Hα-helixtrans-56.7-48.9176.3168.5-103.2000112.2F55 V58 E60 F63 W172 I173 K178 E179 K180F55-Y176 HydrophobicContact CB-CD2 3.53Å; F55-Y176 HydrophobicContact CB-CE2 4.02Å; F55-Y176 HydrophobicContact CD1-CD2 4.1Å; F55-Y176 HydrophobicContact CD2-CD2 4.1Å; F55-Y176 AromaticContact CG-CD2 3.65Å; F55-Y176 HydrophobicContact CG-CD2 3.65Å; F55-Y176 HydrophobicContact CG-CG 4.39Å; V58-Y176 HydrophobicContact CB-CD1 4.44Å; V58-Y176 HydrophobicContact CB-CD2 4.19Å; V58-Y176 HydrophobicContact CB-CE1 4.07Å; V58-Y176 HydrophobicContact CB-CE2 3.75Å; V58-Y176 HydrophobicContact CB-CG 4.49Å; V58-Y176 HydrophobicContact CG1-CE1 4.47Å; V58-Y176 HydrophobicContact CG2-CD1 4.29Å; V58-Y176 HydrophobicContact CG2-CD2 3.44Å; V58-Y176 VanDerWaalsContact CG2-CD2 3.44Å; V58-Y176 HydrophobicContact CG2-CE1 4.31Å; V58-Y176 HydrophobicContact CG2-CE2 3.42Å; V58-Y176 VanDerWaalsContact CG2-CE2 3.42Å; V58-Y176 HydrophobicContact CG2-CG 3.86Å; E60-Y176 HydrophobicContact CG-CE1 4.33Å; E60-Y176 WeakPolarHBondContact OE1-CE1 3.48Å; E60-Y176 PolarHBondContact OE1-OH 3.27Å; E60-Y176 VanDerWaalsContact OE1-OH 3.09Å; F63-Y176 AromaticContact CE2-CD1 3.77Å; F63-Y176 HydrophobicContact CE2-CD1 3.77Å; F63-Y176 AromaticContact CE2-CE1 3.62Å; F63-Y176 HydrophobicContact CE2-CE1 3.62Å; F63-Y176 AromaticContact CZ-CD1 3.87Å; F63-Y176 HydrophobicContact CZ-CD1 3.87Å; F63-Y176 HydrophobicContact CZ-CE1 4.15Å; W172-Y176 VanDerWaalsContact O-CB 3.31Å; W172-Y176 WeakPolarHBondContact O-CB 3.19Å; W172-Y176 PolarHBondContact O-N 3.34Å; I173-Y176 PolarHBondContact O-N 3.26Å; Y176-K178 VanDerWaalsContact C-N 3.31Å; Y176-K178 PolarHBondContact O-N 2.73Å; Y176-E179 PolarHBondContact O-N 2.85Å; Y176-K180 HydrophobicContact CE1-CD 4.25Å; Y176-K180 VanDerWaalsContact O-CB 3.31Å; Y176-K180 WeakPolarHBondContact O-CB 3.43Å; Y176-K180 PolarHBondContact O-N 3.23Å
177L98.5Very high97.6Very high28 Ų2833 Ų3315%0.14716%0.158CC..Hα-helixtrans-63.9-36.6-177.7-70.1172.8000112.3F63 I73 L76 I173 Q174 F175 K181F63-L177 HydrophobicContact CE2-CD2 4.38Å; I73-L177 HydrophobicContact CD1-CD1 4.2Å; I73-L177 HydrophobicContact CG1-CD1 3.92Å; I73-L177 HydrophobicContact CG2-CD1 3.95Å; L76-L177 HydrophobicContact CD1-CD1 3.87Å; I173-L177 HydrophobicContact CG2-CD1 4.03Å; I173-L177 VanDerWaalsContact O-CG 3.29Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 2.77Å; Q174-L177 PolarHBondContact O-N 2.83Å; F175-L177 PolarHBondContact O-N 3.06Å; L177-K181 WeakPolarHBondContact O-CG 3.49Å; L177-K181 PolarHBondContact O-N 2.69Å
178K98.3Very high97.7Very high32 Ų3230.9 Ų30.914%0.13915%0.147CC..Hα-helixtrans-72.7-44174.8-82.4-169.3150.1-74.10112.2Q174 F175 Y176 K180 K181 N182 D183 I184 E206Q174-K178 HydrophobicContact CG-CD 4.49Å; Q174-K178 WeakPolarHBondContact O-CB 3.36Å; Q174-K178 PolarHBondContact O-N 2.84Å; F175-K178 PolarHBondContact O-N 3.42Å; Y176-K178 VanDerWaalsContact C-N 3.31Å; Y176-K178 PolarHBondContact O-N 2.73Å; K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 2.89Å; K178-K181 CarbonylContact O-C 3.55Å; K178-K181 PolarHBondContact O-N 2.84Å; K178-K181 VanDerWaalsContact O-N 3.08Å; K178-N182 PolarHBondContact O-N 3.01Å; K178-D183 HydrophobicContact CB-CB 3.98Å; K178-D183 HydrophobicContact CG-CB 4.11Å; K178-D183 IonicContact NZ-OD2 2.71Å; K178-D183 WeakPolarHBondContact O-CB 3.21Å; K178-D183 PolarHBondContact O-N 3.42Å; K178-I184 HydrophobicContact CB-CB 4.22Å; K178-I184 HydrophobicContact CB-CD1 3.6Å; K178-I184 HydrophobicContact CB-CG1 3.79Å; K178-I184 HydrophobicContact CD-CD1 3.84Å; K178-I184 HydrophobicContact CD-CG1 4.21Å; K178-I184 HydrophobicContact CG-CD1 4.34Å; K178-I184 PolarHBondContact O-N 2.87Å; K178-E206 IonicContact NZ-OE1 2.66Å; K178-E206 PolarHBondContact NZ-OE1 2.96Å; K178-E206 IonicContact NZ-OE2 2.99Å; K178-E206 PolarHBondContact NZ-OE2 2.73Å; K178-E206 VanDerWaalsContact NZ-OE2 3.09Å
179E98Very high97.6Very high10 Ų1032.8 Ų32.85%0.04715%0.153CC..Hα-helixtrans-58.7-45175.6-175.6174.3-10900111.1P53 L54 F55 F175 Y176 K181 N182P53-E179 WeakPolarHBondContact CA-OE1 3.18Å; P53-E179 HydrophobicContact CB-CG 3.86Å; L54-E179 WeakPolarHBondContact CB-OE1 3.38Å; L54-E179 VanDerWaalsContact N-CD 3.28Å; L54-E179 PolarHBondContact N-OE1 2.82Å; L54-E179 PolarHBondContact N-OE2 3.25Å; F55-E179 WeakPolarHBondContact CB-OE2 3.22Å; F55-E179 WeakPolarHBondContact CD2-OE2 3.5Å; F55-E179 PolarHBondContact N-OE2 2.65Å; F175-E179 HydrophobicContact CE1-CB 4.44Å; F175-E179 WeakPolarHBondContact O-CB 3.31Å; F175-E179 PolarHBondContact O-N 2.84Å; Y176-E179 PolarHBondContact O-N 2.85Å; E179-K181 PolarHBondContact O-N 3.31Å; E179-N182 WeakPolarHBondContact O-CA 3.24Å; E179-N182 PolarHBondContact O-N 3.46Å
180K97.5Very high97.4Very high111 Ų11135.3 Ų35.348%0.48317%0.165SC..Hα-helixtrans-58.8-32.1175.1179.5174173.6173.20113.5E60 Y176 K178 N182E60-K180 WeakPolarHBondContact OE1-CD 3.33Å; E60-K180 IonicContact OE1-NZ 3.11Å; E60-K180 PolarHBondContact OE1-NZ 3.09Å; E60-K180 IonicContact OE2-NZ 3.43Å; E60-K180 PolarHBondContact OE2-NZ 3.42Å; Y176-K180 HydrophobicContact CE1-CD 4.25Å; Y176-K180 VanDerWaalsContact O-CB 3.31Å; Y176-K180 WeakPolarHBondContact O-CB 3.43Å; Y176-K180 PolarHBondContact O-N 3.23Å; K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 2.89Å; K180-N182 VanDerWaalsContact C-N 3.28Å
181K97.4Very high97.3Very high144 Ų14439.2 Ų39.263%0.62618%0.181SC*.THydrogen-bonded Turntrans-83.7-2176.3-71.4175.5-177.9178.10113.2L177 K178 E179 D183L177-K181 WeakPolarHBondContact O-CG 3.49Å; L177-K181 PolarHBondContact O-N 2.69Å; K178-K181 CarbonylContact O-C 3.55Å; K178-K181 PolarHBondContact O-N 2.84Å; K178-K181 VanDerWaalsContact O-N 3.08Å; E179-K181 PolarHBondContact O-N 3.31Å; K181-D183 PolarHBondContact O-N 3.35Å
182N97.2Very high97.1Very high139 Ų13940.9 Ų40.974%0.74319%0.193SC*.THydrogen-bonded Turntrans61.922.3-168.3-49.7-75000113.5K178 E179 K180 I184K178-N182 PolarHBondContact O-N 3.01Å; E179-N182 WeakPolarHBondContact O-CA 3.24Å; E179-N182 PolarHBondContact O-N 3.46Å; K180-N182 VanDerWaalsContact C-N 3.28Å; N182-I184 VanDerWaalsContact C-N 3.33Å
183D97.5Very high97Very high48 Ų4842 Ų4226%0.25720%0.201SC..SBendtrans-81.4-18.4173.8-71-12.7000111.4K178 K181 D205 E206K178-D183 HydrophobicContact CB-CB 3.98Å; K178-D183 HydrophobicContact CG-CB 4.11Å; K178-D183 IonicContact NZ-OD2 2.71Å; K178-D183 WeakPolarHBondContact O-CB 3.21Å; K178-D183 PolarHBondContact O-N 3.42Å; K181-D183 PolarHBondContact O-N 3.35Å; D183-D205 CarbonylContact O-C 3.42Å; D183-D205 WeakPolarHBondContact O-CA 3.42Å; D183-E206 HydrophobicContact CB-CB 4.37Å; D183-E206 PolarHBondContact O-N 2.87Å
184I97.3Very high96.9Very high8 Ų842.6 Ų42.64%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-124.8136.1173.1-77.7175.7000108.9L169 F175 K178 N182 Y203 I204L169-I184 HydrophobicContact CD2-CD1 3.4Å; L169-I184 VanDerWaalsContact CD2-CD1 3.4Å; F175-I184 HydrophobicContact CD2-CD1 4.02Å; F175-I184 HydrophobicContact CD2-CG2 4.4Å; F175-I184 HydrophobicContact CE1-CG2 4.09Å; F175-I184 HydrophobicContact CE2-CD1 4.22Å; F175-I184 HydrophobicContact CE2-CG2 3.69Å; F175-I184 HydrophobicContact CZ-CG2 3.53Å; K178-I184 HydrophobicContact CB-CB 4.22Å; K178-I184 HydrophobicContact CB-CD1 3.6Å; K178-I184 HydrophobicContact CB-CG1 3.79Å; K178-I184 HydrophobicContact CD-CD1 3.84Å; K178-I184 HydrophobicContact CD-CG1 4.21Å; K178-I184 HydrophobicContact CG-CD1 4.34Å; K178-I184 PolarHBondContact O-N 2.87Å; N182-I184 VanDerWaalsContact C-N 3.33Å; I184-Y203 HydrophobicContact CD1-CD2 4.37Å; I184-Y203 HydrophobicContact CD1-CE2 4.23Å; I184-Y203 HydrophobicContact CG1-CD2 4.37Å; I184-Y203 HydrophobicContact CG2-CD2 4Å; I184-Y203 HydrophobicContact CG2-CG 4.22Å; I184-I204 WeakPolarHBondContact CA-O 3.29Å
185N97.4Very high96.6Very high49 Ų4950.5 Ų50.526%0.26224%0.241SC..EExtended strand (participates in β ladder)trans-114113.7167.1-170.421.8000109.8D48 Y187 Y203 I204D48-N185 PolarHBondContact OD2-ND2 2.94Å; N185-Y187 HydrophobicContact CB-CE1 4.18Å; N185-Y187 WeakPolarHBondContact ND2-CE1 3.36Å; N185-Y187 WeakPolarHBondContact O-CD1 3.41Å; N185-Y203 WeakPolarHBondContact O-CA 3.31Å; N185-Y203 WeakPolarHBondContact O-CB 3.27Å; N185-I204 HydrophobicContact CB-CD1 4.18Å; N185-I204 HydrophobicContact CB-CG1 3.82Å; N185-I204 PolarHBondContact N-O 3.09Å; N185-I204 PolarHBondContact O-N 3.33Å
186Y97.6Very high96.4Very high0 Ų055.2 Ų55.20%026%0.263CS..EExtended strand (participates in β ladder)trans-75.3128177.8167.5-111.9000110.5L36 L54 F175 G188 W189 I201L36-Y186 PolarHBondContact O-OH 3.47Å; L54-Y186 HydrophobicContact CB-CD1 3.84Å; L54-Y186 HydrophobicContact CB-CD2 4.22Å; L54-Y186 HydrophobicContact CB-CE1 4.2Å; L54-Y186 HydrophobicContact CB-CG 3.82Å; L54-Y186 HydrophobicContact CD1-CE1 4.16Å; L54-Y186 HydrophobicContact CD1-CE2 4.36Å; L54-Y186 HydrophobicContact CD2-CD2 4.45Å; L54-Y186 HydrophobicContact CD2-CE2 4.45Å; F175-Y186 HydrophobicContact CZ-CD2 4.49Å; Y186-G188 WeakPolarHBondContact CE2-O 3.31Å; Y186-G188 WeakPolarHBondContact OH-CA 3.31Å; Y186-W189 WeakPolarHBondContact OH-CB 3.31Å; Y186-W189 PolarHBondContact OH-N 3.39Å; Y186-I201 HydrophobicContact CD2-CB 4.21Å; Y186-I201 HydrophobicContact CD2-CG2 4.31Å; Y186-I201 HydrophobicContact CE2-CB 3.86Å; Y186-I201 HydrophobicContact CE2-CG2 3.63Å
187Y95.8Very high96.3Very high32 Ų3254.9 Ų54.913%0.12526%0.263CS..EExtended strand (participates in β ladder)trans-101.2-18.6-176-8121.2000113.4F46 D48 L49 S50 N185 E202 I204F46-Y187 AromaticContact CD1-CD2 3.91Å; F46-Y187 HydrophobicContact CD1-CD2 3.91Å; F46-Y187 AromaticContact CD1-CE2 3.53Å; F46-Y187 HydrophobicContact CD1-CE2 3.53Å; F46-Y187 AromaticContact CE1-CD2 3.55Å; F46-Y187 HydrophobicContact CE1-CD2 3.55Å; F46-Y187 AromaticContact CE1-CE2 3.25Å; F46-Y187 HydrophobicContact CE1-CE2 3.25Å; F46-Y187 AromaticContact CE1-CZ 3.99Å; F46-Y187 HydrophobicContact CZ-CD2 4.12Å; F46-Y187 HydrophobicContact CZ-CE2 4.22Å; D48-Y187 HydrophobicContact CB-CD1 3.83Å; D48-Y187 HydrophobicContact CB-CD2 4.13Å; D48-Y187 HydrophobicContact CB-CE1 3.75Å; D48-Y187 HydrophobicContact CB-CE2 4.02Å; D48-Y187 HydrophobicContact CB-CG 4.03Å; L49-Y187 PolarHBondContact N-O 3.14Å; S50-Y187 WeakPolarHBondContact CB-O 3.28Å; S50-Y187 PolarHBondContact N-O 3Å; S50-Y187 PolarHBondContact OG-O 3.49Å; S50-Y187 VanDerWaalsContact OG-O 3.1Å; N185-Y187 HydrophobicContact CB-CE1 4.18Å; N185-Y187 WeakPolarHBondContact ND2-CE1 3.36Å; N185-Y187 WeakPolarHBondContact O-CD1 3.41Å; Y187-E202 PolarHBondContact N-O 2.97Å; Y187-I204 HydrophobicContact CD1-CG1 4.45Å; Y187-I204 HydrophobicContact CE1-CD1 3.87Å; Y187-I204 HydrophobicContact CE1-CG1 3.56Å; Y187-I204 WeakPolarHBondContact OH-CD1 3.47Å
188G95.5Very high96.3Very high0 Ų053.6 Ų53.60%026%0.256CS..EExtended strand (participates in β ladder)trans143.5173-176.700000113E38 S50 Y186 E202E38-G188 WeakPolarHBondContact O-CA 3.34Å; S50-G188 VanDerWaalsContact OG-CA 3.29Å; S50-G188 WeakPolarHBondContact OG-CA 3.45Å; S50-G188 PolarHBondContact OG-N 3.07Å; Y186-G188 WeakPolarHBondContact CE2-O 3.31Å; Y186-G188 WeakPolarHBondContact OH-CA 3.31Å; G188-E202 PolarHBondContact O-N 2.96Å
189W95.6Very high96.2Very high42 Ų4252.1 Ų52.116%0.15925%0.249CC..EExtended strand (participates in β ladder)trans-111.3143.3-177.663.7-79.4000112.2L36 E38 Q39 L40 Y186 I199 S200 I201L36-W189 VanDerWaalsContact O-CD1 3.24Å; E38-W189 PolarHBondContact O-N 2.93Å; Q39-W189 CarbonylContact C-O 3.59Å; Q39-W189 WeakPolarHBondContact CA-O 3.42Å; Q39-W189 HydrophobicContact CB-CD2 4.2Å; Q39-W189 HydrophobicContact CB-CH2 3.98Å; Q39-W189 HydrophobicContact CB-CZ2 3.52Å; Q39-W189 HydrophobicContact CB-CZ3 4.48Å; Q39-W189 VanDerWaalsContact CD-CZ3 3.48Å; Q39-W189 HydrophobicContact CG-CD2 4.02Å; Q39-W189 HydrophobicContact CG-CE3 3.93Å; Q39-W189 HydrophobicContact CG-CH2 3.59Å; Q39-W189 HydrophobicContact CG-CZ2 3.68Å; Q39-W189 HydrophobicContact CG-CZ3 3.71Å; L40-W189 PolarHBondContact N-O 2.88Å; Y186-W189 WeakPolarHBondContact OH-CB 3.31Å; Y186-W189 PolarHBondContact OH-N 3.39Å; W189-I199 HydrophobicContact CB-CG2 3.71Å; W189-S200 CarbonylContact C-O 3.58Å; W189-S200 WeakPolarHBondContact CA-O 3.45Å; W189-I201 HydrophobicContact CB-CG2 4.35Å
190K93.7Very high96.2Very high55 Ų5551.9 Ų51.924%0.23925%0.249CC..EExtended strand (participates in β ladder)trans-98.6-31.4176.8-68.4-176178.9175.60112.8L40 S200 E202 P212 L213L40-K190 HydrophobicContact CB-CG 4.01Å; L40-K190 HydrophobicContact CD1-CG 4.46Å; K190-S200 PolarHBondContact N-O 3.16Å; K190-E202 VanDerWaalsContact CE-OE2 3.29Å; K190-E202 WeakPolarHBondContact CE-OE2 3.38Å; K190-E202 IonicContact NZ-OE2 3.7Å; K190-E202 PolarHBondContact NZ-OE2 3.49Å; K190-P212 PolarHBondContact NZ-O 2.84Å; K190-L213 HydrophobicContact CD-CD1 4.2Å
191K94.7Very high96.1Very high89 Ų8946.6 Ų46.639%0.38723%0.226SC..EExtended strand (participates in β ladder)trans-151.2133.7178.6-177.2-173170.2-157.90110.2I199 S200 T268K191-I199 CarbonylContact O-C 3.53Å; K191-I199 WeakPolarHBondContact O-CA 3.27Å; K191-S200 PolarHBondContact O-N 3.11Å; K191-T268 PolarHBondContact NZ-OXT 2.77Å
192S95.4Very high96Very high35 Ų3540.1 Ų40.125%0.24520%0.198CC..EExtended strand (participates in β ladder)trans-120.7139170.8179.10000109.6E196S192-E196 WeakPolarHBondContact OG-CA 3.44Å
193S95.6Very high96Very high24 Ų2433.5 Ų33.517%0.16816%0.163CC..EExtended strand (participates in β ladder)trans-155.5174.9-17958.70000111.1H195 E196 Q197 L198S193-H195 VanDerWaalsContact C-N 3.34Å; S193-H195 PolarHBondContact O-N 2.9Å; S193-E196 PolarHBondContact O-N 3.21Å; S193-Q197 PolarHBondContact O-N 3.22Å; S193-L198 PolarHBondContact N-O 2.86Å; S193-L198 PolarHBondContact O-N 3.43Å; S193-L198 PolarHBondContact OG-O 3.33Å
194C95.6Very high95.9Very high12 Ų1231.5 Ų31.58%0.08115%0.152CC..THydrogen-bonded Turntrans56.341.8-176.7-47.70000113.8Q197 L198 C248C194-Q197 HydrophobicContact CB-CB 4.15Å; C194-Q197 WeakPolarHBondContact O-CB 3.33Å; C194-Q197 WeakPolarHBondContact O-CG 3.48Å; C194-Q197 PolarHBondContact O-N 3.08Å; C194-L198 HydrophobicContact CB-CB 4.16Å; C194-C248 WeakPolarHBondContact CA-SG 3.15Å; C194-C248 HydrophobicContact CB-CB 3.64Å; C194-C248 WeakPolarHBondContact CB-SG 3.46Å; C194-C248 PolarHBondContact N-SG 2.85Å; C194-C248 WeakPolarHBondContact SG-CB 3.45Å; C194-C248 CovalentContact SG-SG 2Å; C194-C248 PolarHBondContact SG-SG 2.99Å
195H93.9Very high95.9Very high179 Ų17931.3 Ų31.383%0.82915%0.151SC*.THydrogen-bonded Turntrans55.650.2-173.3-43.995.7000111.8S193 Q197S193-H195 VanDerWaalsContact C-N 3.34Å; S193-H195 PolarHBondContact O-N 2.9Å; H195-Q197 PolarHBondContact O-N 3.33Å; H195-Q197 VanDerWaalsContact O-N 3.08Å
196E94.2Very high95.8Very high99 Ų9932.5 Ų32.546%0.46316%0.155SC..THydrogen-bonded Turntrans66.26.3178.8-53.2171.2-177.400115.3L36 S192 S193 I199L36-E196 HydrophobicContact CD1-CG 3.99Å; S192-E196 WeakPolarHBondContact OG-CA 3.44Å; S193-E196 PolarHBondContact O-N 3.21Å; E196-I199 VanDerWaalsContact O-CD1 3.3Å; E196-I199 WeakPolarHBondContact O-CD1 3.37Å; E196-I199 VanDerWaalsContact O-CG1 3.26Å; E196-I199 WeakPolarHBondContact O-CG1 3.5Å
197Q96Very high95.6Very high17 Ų1736.2 Ų36.28%0.07918%0.175CC..THydrogen-bonded Turntrans-73.2-38.2172.4-64.1-167.5-66.800111.7Y19 S193 C194 H195 F217 I218Y19-Q197 PolarHBondContact OH-OE1 2.85Å; S193-Q197 PolarHBondContact O-N 3.22Å; C194-Q197 HydrophobicContact CB-CB 4.15Å; C194-Q197 WeakPolarHBondContact O-CB 3.33Å; C194-Q197 WeakPolarHBondContact O-CG 3.48Å; C194-Q197 PolarHBondContact O-N 3.08Å; H195-Q197 PolarHBondContact O-N 3.33Å; H195-Q197 VanDerWaalsContact O-N 3.08Å; Q197-F217 HydrophobicContact CB-CE2 4.44Å; Q197-F217 HydrophobicContact CB-CZ 4.31Å; Q197-F217 CarbonylContact O-C 3.4Å; Q197-F217 VanDerWaalsContact O-CA 3.31Å; Q197-F217 WeakPolarHBondContact O-CA 3.29Å; Q197-I218 WeakPolarHBondContact CB-O 3.4Å; Q197-I218 WeakPolarHBondContact CG-O 3.32Å; Q197-I218 PolarHBondContact NE2-O 3.42Å; Q197-I218 PolarHBondContact O-N 2.71Å
198L98Very high95.6Very high1 Ų141.6 Ų41.61%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-105.6104.8-179.1178.656.9000110.5S193 C194 F217 L250 M267S193-L198 PolarHBondContact N-O 2.86Å; S193-L198 PolarHBondContact O-N 3.43Å; S193-L198 PolarHBondContact OG-O 3.33Å; C194-L198 HydrophobicContact CB-CB 4.16Å; L198-F217 HydrophobicContact CB-CD2 3.94Å; L198-F217 HydrophobicContact CB-CE2 4.32Å; L198-F217 HydrophobicContact CD1-CD2 4.22Å; L198-L250 HydrophobicContact CD2-CB 3.62Å; L198-L250 HydrophobicContact CD2-CD2 4.03Å; L198-L250 HydrophobicContact CD2-CG 4.43Å; L198-M267 HydrophobicContact CD1-CB 3.89Å; L198-M267 WeakPolarHBondContact CD1-O 3.13Å; L198-M267 HydrophobicContact CD2-CB 4.35Å
199I97.4Very high95.6Very high0 Ų043.7 Ų43.70%021%0.207CC..EExtended strand (participates in β ladder)trans-119.9132.7-175.5-43.2-175.1000110.2L34 L36 W189 K191 E196 I201 S215 V216 I218L34-I199 HydrophobicContact CD1-CD1 3.78Å; L36-I199 HydrophobicContact CD2-CD1 3.46Å; L36-I199 VanDerWaalsContact CD2-CD1 3.46Å; W189-I199 HydrophobicContact CB-CG2 3.71Å; K191-I199 CarbonylContact O-C 3.53Å; K191-I199 WeakPolarHBondContact O-CA 3.27Å; E196-I199 VanDerWaalsContact O-CD1 3.3Å; E196-I199 WeakPolarHBondContact O-CD1 3.37Å; E196-I199 VanDerWaalsContact O-CG1 3.26Å; E196-I199 WeakPolarHBondContact O-CG1 3.5Å; I199-I201 HydrophobicContact CB-CG2 4.14Å; I199-I201 HydrophobicContact CG2-CG2 3.49Å; I199-I201 VanDerWaalsContact CG2-CG2 3.49Å; I199-S215 VanDerWaalsContact O-CA 3.27Å; I199-S215 WeakPolarHBondContact O-CA 3.34Å; I199-V216 PolarHBondContact N-O 2.96Å; I199-V216 VanDerWaalsContact N-O 3.09Å; I199-V216 PolarHBondContact O-N 3.4Å; I199-I218 HydrophobicContact CD1-CD1 3.58Å; I199-I218 HydrophobicContact CG1-CD1 4.09Å
200S96.5Very high95.5Very high6 Ų644.1 Ų44.14%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-96.1124.4165.7-60.90000109.7W189 K190 K191 G214W189-S200 CarbonylContact C-O 3.58Å; W189-S200 WeakPolarHBondContact CA-O 3.45Å; K190-S200 PolarHBondContact N-O 3.16Å; K191-S200 PolarHBondContact O-N 3.11Å; S200-G214 CarbonylContact C-O 3.57Å; S200-G214 WeakPolarHBondContact CA-O 3.44Å
201I96.1Very high95.6Very high0 Ų042.3 Ų42.30%021%0.205CC..EExtended strand (participates in β ladder)trans-130.7155.3-166.858.1176000112.1L54 F175 Y186 W189 I199 Y203 G214 V216L54-I201 HydrophobicContact CD2-CD1 4.48Å; L54-I201 HydrophobicContact CD2-CG2 4.46Å; F175-I201 HydrophobicContact CD2-CD1 3.84Å; F175-I201 HydrophobicContact CE1-CD1 4.34Å; F175-I201 HydrophobicContact CE2-CD1 3.29Å; F175-I201 HydrophobicContact CZ-CD1 3.57Å; Y186-I201 HydrophobicContact CD2-CB 4.21Å; Y186-I201 HydrophobicContact CD2-CG2 4.31Å; Y186-I201 HydrophobicContact CE2-CB 3.86Å; Y186-I201 HydrophobicContact CE2-CG2 3.63Å; W189-I201 HydrophobicContact CB-CG2 4.35Å; I199-I201 HydrophobicContact CB-CG2 4.14Å; I199-I201 HydrophobicContact CG2-CG2 3.49Å; I199-I201 VanDerWaalsContact CG2-CG2 3.49Å; I201-Y203 HydrophobicContact CD1-CD1 3.95Å; I201-Y203 HydrophobicContact CD1-CE1 4.11Å; I201-Y203 HydrophobicContact CG1-CD1 3.97Å; I201-Y203 HydrophobicContact CG1-CE1 4.15Å; I201-G214 PolarHBondContact N-O 2.89Å; I201-G214 PolarHBondContact O-N 3.48Å; I201-V216 HydrophobicContact CD1-CG1 4.4Å; I201-V216 HydrophobicContact CD1-CG2 4.17Å
202E95.6Very high95.5Very high7 Ų740.9 Ų40.93%0.03320%0.204CC..EExtended strand (participates in β ladder)trans-112.1139.7168.4-173.1165.512000109.3L40 F46 Y187 G188 K190 K211L40-E202 HydrophobicContact CD1-CB 3.47Å; L40-E202 VanDerWaalsContact CD1-CB 3.47Å; L40-E202 HydrophobicContact CD1-CG 4.27Å; F46-E202 WeakPolarHBondContact CA-OE1 3.44Å; F46-E202 HydrophobicContact CD2-CG 3.83Å; F46-E202 WeakPolarHBondContact CD2-OE1 3.5Å; F46-E202 HydrophobicContact CE2-CG 3.24Å; F46-E202 WeakPolarHBondContact CE2-OE1 3.22Å; F46-E202 WeakPolarHBondContact CG-OE1 3.46Å; F46-E202 HydrophobicContact CZ-CG 3.68Å; Y187-E202 PolarHBondContact N-O 2.97Å; G188-E202 PolarHBondContact O-N 2.96Å; K190-E202 VanDerWaalsContact CE-OE2 3.29Å; K190-E202 WeakPolarHBondContact CE-OE2 3.38Å; K190-E202 IonicContact NZ-OE2 3.7Å; K190-E202 PolarHBondContact NZ-OE2 3.49Å; E202-K211 WeakPolarHBondContact CA-O 3.31Å
203Y96.4Very high95.3Very high1 Ų144 Ų440%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-162.8165-179.862.4-91.5000112.1F46 M166 L169 F175 I184 N185 I201 K211F46-Y203 WeakPolarHBondContact CZ-O 3.38Å; M166-Y203 HydrophobicContact CE-CE2 4.5Å; L169-Y203 WeakPolarHBondContact CB-OH 3.45Å; L169-Y203 HydrophobicContact CD2-CE2 4.08Å; F175-Y203 HydrophobicContact CD2-CE1 4.3Å; F175-Y203 AromaticContact CE2-CD1 3.56Å; F175-Y203 HydrophobicContact CE2-CD1 3.56Å; F175-Y203 HydrophobicContact CE2-CD2 4.23Å; F175-Y203 AromaticContact CE2-CE1 3.74Å; F175-Y203 HydrophobicContact CE2-CE1 3.74Å; F175-Y203 HydrophobicContact CE2-CE2 4.45Å; F175-Y203 AromaticContact CE2-CG 3.8Å; F175-Y203 HydrophobicContact CE2-CG 3.8Å; F175-Y203 HydrophobicContact CZ-CD1 4.3Å; F175-Y203 HydrophobicContact CZ-CG 4.36Å; I184-Y203 HydrophobicContact CD1-CD2 4.37Å; I184-Y203 HydrophobicContact CD1-CE2 4.23Å; I184-Y203 HydrophobicContact CG1-CD2 4.37Å; I184-Y203 HydrophobicContact CG2-CD2 4Å; I184-Y203 HydrophobicContact CG2-CG 4.22Å; N185-Y203 WeakPolarHBondContact O-CA 3.31Å; N185-Y203 WeakPolarHBondContact O-CB 3.27Å; I201-Y203 HydrophobicContact CD1-CD1 3.95Å; I201-Y203 HydrophobicContact CD1-CE1 4.11Å; I201-Y203 HydrophobicContact CG1-CD1 3.97Å; I201-Y203 HydrophobicContact CG1-CE1 4.15Å; Y203-K211 HydrophobicContact CD1-CB 3.93Å; Y203-K211 HydrophobicContact CD1-CG 4.16Å; Y203-K211 HydrophobicContact CD2-CB 3.93Å; Y203-K211 HydrophobicContact CE1-CB 3.68Å; Y203-K211 HydrophobicContact CE1-CG 3.53Å; Y203-K211 HydrophobicContact CE2-CB 3.61Å; Y203-K211 HydrophobicContact CE2-CG 4.17Å; Y203-K211 HydrophobicContact CG-CB 4.07Å; Y203-K211 VanDerWaalsContact CZ-CB 3.49Å; Y203-K211 PolarHBondContact N-O 3.26Å; Y203-K211 WeakPolarHBondContact O-CB 3.5Å; Y203-K211 PolarHBondContact O-N 3.43Å
204I96.5Very high95.3Very high6 Ų643 Ų433%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-115.9158.1166.549.3163.9000111.2F46 I184 N185 Y187 K208 Y209 N210F46-I204 HydrophobicContact CD1-CG2 4.47Å; F46-I204 HydrophobicContact CE1-CG2 3.34Å; F46-I204 HydrophobicContact CZ-CG2 3.72Å; I184-I204 WeakPolarHBondContact CA-O 3.29Å; N185-I204 HydrophobicContact CB-CD1 4.18Å; N185-I204 HydrophobicContact CB-CG1 3.82Å; N185-I204 PolarHBondContact N-O 3.09Å; N185-I204 PolarHBondContact O-N 3.33Å; Y187-I204 HydrophobicContact CD1-CG1 4.45Å; Y187-I204 HydrophobicContact CE1-CD1 3.87Å; Y187-I204 HydrophobicContact CE1-CG1 3.56Å; Y187-I204 WeakPolarHBondContact OH-CD1 3.47Å; I204-K208 HydrophobicContact CD1-CD 3.52Å; I204-Y209 VanDerWaalsContact CA-O 3.29Å; I204-Y209 WeakPolarHBondContact CA-O 2.98Å; I204-N210 HydrophobicContact CG2-CB 4.22Å
205D96Very high95.3Very high4 Ų442.6 Ų42.62%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-90.7-176.9169.783.7-22.1000112.5M166 D183 N207 K208 Y209M166-D205 HydrophobicContact CE-CB 3.88Å; M166-D205 HydrophobicContact CG-CB 4.13Å; M166-D205 HydrophobicContact SD-CB 3.68Å; D183-D205 CarbonylContact O-C 3.42Å; D183-D205 WeakPolarHBondContact O-CA 3.42Å; D205-N207 PolarHBondContact O-N 3.09Å; D205-N207 VanDerWaalsContact OD1-C 3.32Å; D205-N207 WeakPolarHBondContact OD1-CA 3.01Å; D205-N207 WeakPolarHBondContact OD1-CB 3.34Å; D205-N207 PolarHBondContact OD1-N 3.24Å; D205-N207 PolarHBondContact OD2-ND2 3.34Å; D205-K208 PolarHBondContact O-N 2.85Å; D205-K208 PolarHBondContact OD1-N 2.99Å; D205-Y209 PolarHBondContact N-O 2.99Å; D205-Y209 VanDerWaalsContact N-O 3.15Å; D205-Y209 WeakPolarHBondContact OD1-CA 3.48Å; D205-Y209 WeakPolarHBondContact OD1-CB 3.3Å; D205-Y209 PolarHBondContact OD1-N 3.47Å
206E95.2Very high95.5Very high74 Ų7434.2 Ų34.235%0.34617%0.17SC..THydrogen-bonded Turntrans-57.8-29.4177.358.6-91-150.200112.7K178 D183 K208K178-E206 IonicContact NZ-OE1 2.66Å; K178-E206 PolarHBondContact NZ-OE1 2.96Å; K178-E206 IonicContact NZ-OE2 2.99Å; K178-E206 PolarHBondContact NZ-OE2 2.73Å; K178-E206 VanDerWaalsContact NZ-OE2 3.09Å; D183-E206 HydrophobicContact CB-CB 4.37Å; D183-E206 PolarHBondContact O-N 2.87Å; E206-K208 VanDerWaalsContact C-N 3.32Å
207N95Very high95.7Very high77 Ų7729.8 Ų29.841%0.41215%0.149SC..THydrogen-bonded Turntrans-88.63.6179.6-55.6-66.8000113.3D205 Y209D205-N207 PolarHBondContact O-N 3.09Å; D205-N207 VanDerWaalsContact OD1-C 3.32Å; D205-N207 WeakPolarHBondContact OD1-CA 3.01Å; D205-N207 WeakPolarHBondContact OD1-CB 3.34Å; D205-N207 PolarHBondContact OD1-N 3.24Å; D205-N207 PolarHBondContact OD2-ND2 3.34Å; N207-Y209 HydrophobicContact CB-CD1 3.88Å; N207-Y209 HydrophobicContact CB-CD2 3.84Å; N207-Y209 HydrophobicContact CB-CE1 3.65Å; N207-Y209 HydrophobicContact CB-CE2 3.67Å; N207-Y209 HydrophobicContact CB-CG 3.97Å; N207-Y209 WeakPolarHBondContact O-CD1 3.32Å; N207-Y209 WeakPolarHBondContact O-CE1 3.06Å; N207-Y209 PolarHBondContact O-N 2.73Å
208K94.8Very high95.8Very high146 Ų14629 Ų2964%0.63515%0.145SC*.  trans64.724-174-48.9-55.6-178.5-171.50113.5I204 D205 E206I204-K208 HydrophobicContact CD1-CD 3.52Å; D205-K208 PolarHBondContact O-N 2.85Å; D205-K208 PolarHBondContact OD1-N 2.99Å; E206-K208 VanDerWaalsContact C-N 3.32Å
209Y95.7Very high95.8Very high44 Ų4429 Ų2917%0.17315%0.145CC..  trans-80.2132173.8-59.7-11.3000109.3H161 K163 F164 M166 I204 D205 N207H161-Y209 HydrophobicContact CB-CD2 3.71Å; H161-Y209 HydrophobicContact CB-CE2 4.21Å; H161-Y209 AromaticContact CE1-CE2 3.77Å; H161-Y209 AromaticContact CG-CD2 3.72Å; H161-Y209 AromaticContact CG-CE2 3.73Å; H161-Y209 AromaticContact ND1-CD2 3.83Å; H161-Y209 AromaticContact ND1-CE2 3.38Å; H161-Y209 WeakPolarHBondContact ND1-CE2 3.02Å; K163-Y209 WeakPolarHBondContact O-CE2 3.38Å; F164-Y209 HydrophobicContact CB-CD1 3.94Å; F164-Y209 HydrophobicContact CB-CE1 4.19Å; F164-Y209 HydrophobicContact CD1-CD1 4.12Å; F164-Y209 AromaticContact CD1-CE1 3.5Å; F164-Y209 HydrophobicContact CD1-CE1 3.5Å; F164-Y209 HydrophobicContact CE1-CE1 4.38Å; F164-Y209 HydrophobicContact CG-CE1 4.34Å; F164-Y209 WeakPolarHBondContact O-CA 3.5Å; F164-Y209 WeakPolarHBondContact O-CB 3.36Å; M166-Y209 WeakPolarHBondContact CG-O 3.26Å; I204-Y209 VanDerWaalsContact CA-O 3.29Å; I204-Y209 WeakPolarHBondContact CA-O 2.98Å; D205-Y209 PolarHBondContact N-O 2.99Å; D205-Y209 VanDerWaalsContact N-O 3.15Å; D205-Y209 WeakPolarHBondContact OD1-CA 3.48Å; D205-Y209 WeakPolarHBondContact OD1-CB 3.3Å; D205-Y209 PolarHBondContact OD1-N 3.47Å; N207-Y209 HydrophobicContact CB-CD1 3.88Å; N207-Y209 HydrophobicContact CB-CD2 3.84Å; N207-Y209 HydrophobicContact CB-CE1 3.65Å; N207-Y209 HydrophobicContact CB-CE2 3.67Å; N207-Y209 HydrophobicContact CB-CG 3.97Å; N207-Y209 WeakPolarHBondContact O-CD1 3.32Å; N207-Y209 WeakPolarHBondContact O-CE1 3.06Å; N207-Y209 PolarHBondContact O-N 2.73Å
210N94.2Very high95.8Very high51 Ų5129.1 Ų29.127%0.27315%0.146SC..EExtended strand (participates in β ladder)trans-91.3139.4-168.173-56.7000112F46 F164 M166 I204F46-N210 HydrophobicContact CD1-CB 4.27Å; F46-N210 HydrophobicContact CD2-CB 4.13Å; F46-N210 HydrophobicContact CE1-CB 3.8Å; F46-N210 HydrophobicContact CE2-CB 3.59Å; F46-N210 HydrophobicContact CG-CB 4.46Å; F46-N210 HydrophobicContact CZ-CB 3.45Å; F46-N210 VanDerWaalsContact CZ-CB 3.45Å; F164-N210 PolarHBondContact O-N 2.72Å; F164-N210 PolarHBondContact O-OD1 3.43Å; M166-N210 PolarHBondContact N-O 3.47Å; M166-N210 VanDerWaalsContact N-O 3.11Å; I204-N210 HydrophobicContact CG2-CB 4.22Å
211K94.6Very high95.9Very high16 Ų1628.8 Ų28.87%0.0714%0.144CC..EExtended strand (participates in β ladder)trans-11293.2163.8-171.681.9178.4-162.40108.8M166 G168 E202 Y203 L213M166-K211 HydrophobicContact CB-CB 3.89Å; M166-K211 HydrophobicContact CB-CD 3.95Å; M166-K211 WeakPolarHBondContact O-CD 3.41Å; G168-K211 VanDerWaalsContact N-NZ 3.15Å; G168-K211 PolarHBondContact O-NZ 3.22Å; E202-K211 WeakPolarHBondContact CA-O 3.31Å; Y203-K211 HydrophobicContact CD1-CB 3.93Å; Y203-K211 HydrophobicContact CD1-CG 4.16Å; Y203-K211 HydrophobicContact CD2-CB 3.93Å; Y203-K211 HydrophobicContact CE1-CB 3.68Å; Y203-K211 HydrophobicContact CE1-CG 3.53Å; Y203-K211 HydrophobicContact CE2-CB 3.61Å; Y203-K211 HydrophobicContact CE2-CG 4.17Å; Y203-K211 HydrophobicContact CG-CB 4.07Å; Y203-K211 VanDerWaalsContact CZ-CB 3.49Å; Y203-K211 PolarHBondContact N-O 3.26Å; Y203-K211 WeakPolarHBondContact O-CB 3.5Å; Y203-K211 PolarHBondContact O-N 3.43Å; K211-L213 WeakPolarHBondContact CE-O 3.27Å; K211-L213 PolarHBondContact O-N 3.42Å
212P92Very high96Very high59 Ų5928.8 Ų28.838%0.38314%0.144SC..EExtended strand (participates in β ladder)trans-68-19-177.627.9-35.4000114F46 K190F46-P212 HydrophobicContact CD2-CB 4.48Å; F46-P212 HydrophobicContact CE2-CB 4.41Å; K190-P212 PolarHBondContact NZ-O 2.84Å
213L92.6Very high96.2Very high102 Ų10228.6 Ų28.653%0.53414%0.143SC..EExtended strand (participates in β ladder)trans-158.4102.4174.5-174.661.6000109.9K190 K211K190-L213 HydrophobicContact CD-CD1 4.2Å; K211-L213 WeakPolarHBondContact CE-O 3.27Å; K211-L213 PolarHBondContact O-N 3.42Å
214G94.5Very high96.3Very high1 Ų128.6 Ų28.61%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-103.6164.4163.900000110.6S200 I201S200-G214 CarbonylContact C-O 3.57Å; S200-G214 WeakPolarHBondContact CA-O 3.44Å; I201-G214 PolarHBondContact N-O 2.89Å; I201-G214 PolarHBondContact O-N 3.48Å
215S97.2Very high96.4Very high5 Ų528.3 Ų28.34%0.03514%0.142CC..EExtended strand (participates in β ladder)trans-142.1138.6170.349.30000109.4H170 I199 Y266 M267H170-S215 WeakPolarHBondContact CA-O 3.31Å; H170-S215 PolarHBondContact ND1-O 2.94Å; H170-S215 VanDerWaalsContact ND1-O 3.16Å; I199-S215 VanDerWaalsContact O-CA 3.27Å; I199-S215 WeakPolarHBondContact O-CA 3.34Å; S215-Y266 WeakPolarHBondContact OG-CD2 3.41Å; S215-M267 VanDerWaalsContact CB-O 3.29Å; S215-M267 WeakPolarHBondContact CB-O 3.34Å; S215-M267 PolarHBondContact OG-O 2.69Å; S215-M267 VanDerWaalsContact OG-O 3.06Å
216V97.6Very high96.5Very high2 Ų228.1 Ų28.11%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-132.1141.5-179.9-67.90000109W172 I199 I201 I218W172-V216 HydrophobicContact CB-CB 4.38Å; I199-V216 PolarHBondContact N-O 2.96Å; I199-V216 VanDerWaalsContact N-O 3.09Å; I199-V216 PolarHBondContact O-N 3.4Å; I201-V216 HydrophobicContact CD1-CG1 4.4Å; I201-V216 HydrophobicContact CD1-CG2 4.17Å; V216-I218 HydrophobicContact CG2-CD1 4.22Å; V216-I218 HydrophobicContact CG2-CG1 3.95Å
217F97.9Very high96.7Very high7 Ų724.6 Ų24.63%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-105.395.7171.8-168.3-85.4000108.3Y19 Q197 L198 S220 F224 L250 M267Y19-F217 HydrophobicContact CE2-CE1 4.36Å; Y19-F217 HydrophobicContact CE2-CZ 4.17Å; Q197-F217 HydrophobicContact CB-CE2 4.44Å; Q197-F217 HydrophobicContact CB-CZ 4.31Å; Q197-F217 CarbonylContact O-C 3.4Å; Q197-F217 VanDerWaalsContact O-CA 3.31Å; Q197-F217 WeakPolarHBondContact O-CA 3.29Å; L198-F217 HydrophobicContact CB-CD2 3.94Å; L198-F217 HydrophobicContact CB-CE2 4.32Å; L198-F217 HydrophobicContact CD1-CD2 4.22Å; F217-S220 PolarHBondContact O-OG 3.31Å; F217-F224 HydrophobicContact CE1-CE1 4.27Å; F217-L250 HydrophobicContact CE2-CD2 4.16Å; F217-M267 HydrophobicContact CB-CE 3.44Å; F217-M267 VanDerWaalsContact CB-CE 3.44Å; F217-M267 HydrophobicContact CB-SD 4.19Å; F217-M267 HydrophobicContact CD1-CE 4.12Å; F217-M267 HydrophobicContact CD2-CE 4.03Å; F217-M267 HydrophobicContact CD2-SD 3.69Å; F217-M267 HydrophobicContact CE2-SD 4.24Å; F217-M267 HydrophobicContact CG-CE 3.59Å; F217-M267 HydrophobicContact CG-SD 3.92Å
218I98.3Very high96.9Very high0 Ų021 Ų210%011%0.105CC..THydrogen-bonded Turntrans-75.7132.7-175.5-53.2172.6000109.1Y32 L34 F55 W172 Q197 I199 V216Y32-I218 HydrophobicContact CD2-CG2 3.89Å; Y32-I218 HydrophobicContact CE1-CG2 4.13Å; Y32-I218 HydrophobicContact CE2-CG2 3.44Å; Y32-I218 VanDerWaalsContact CE2-CG2 3.44Å; Y32-I218 HydrophobicContact CG-CG2 4.43Å; L34-I218 HydrophobicContact CD1-CD1 3.49Å; L34-I218 VanDerWaalsContact CD1-CD1 3.49Å; L34-I218 HydrophobicContact CD2-CD1 3.88Å; L34-I218 HydrophobicContact CD2-CG2 4.38Å; L34-I218 HydrophobicContact CG-CD1 4.34Å; F55-I218 HydrophobicContact CE1-CG2 3.96Å; F55-I218 HydrophobicContact CZ-CD1 4.17Å; F55-I218 HydrophobicContact CZ-CG1 4.26Å; F55-I218 HydrophobicContact CZ-CG2 4.29Å; W172-I218 HydrophobicContact CB-CB 4.38Å; W172-I218 HydrophobicContact CB-CG1 4Å; Q197-I218 WeakPolarHBondContact CB-O 3.4Å; Q197-I218 WeakPolarHBondContact CG-O 3.32Å; Q197-I218 PolarHBondContact NE2-O 3.42Å; Q197-I218 PolarHBondContact O-N 2.71Å; I199-I218 HydrophobicContact CD1-CD1 3.58Å; I199-I218 HydrophobicContact CG1-CD1 4.09Å; V216-I218 HydrophobicContact CG2-CD1 4.22Å; V216-I218 HydrophobicContact CG2-CG1 3.95Å
219G97.3Very high97.1Very high1 Ų114.1 Ų14.11%0.018%0.075CC..THydrogen-bonded Turntrans106.3-19.2178.300000114.8A25 V26A25-G219 CarbonylContact C-O 3.58Å; A25-G219 WeakPolarHBondContact CA-O 3.42Å; V26-G219 VanDerWaalsContact CG2-CA 3.5Å; V26-G219 PolarHBondContact N-O 3.08Å; V26-G219 WeakPolarHBondContact O-CA 3.36Å
220S97.8Very high97.2Very high2 Ų212 Ų121%0.0147%0.067CC..  trans-71.5147.8179.149.60000112.2W172 F217 D225W172-S220 PolarHBondContact NE1-O 3.35Å; F217-S220 PolarHBondContact O-OG 3.31Å; S220-D225 WeakPolarHBondContact CB-OD1 3.46Å; S220-D225 VanDerWaalsContact OG-CG 3.3Å; S220-D225 PolarHBondContact OG-OD1 3.18Å; S220-D225 PolarHBondContact OG-OD2 3.4Å
221S98.6Very high97.4Very high0 Ų09.6 Ų9.60%05%0.054CC..  trans-78.2158.8165.6670000112D22 E223 F224 D225D22-S221 WeakPolarHBondContact OD1-CB 3.13Å; D22-S221 PolarHBondContact OD1-OG 3.06Å; D22-S221 PolarHBondContact OD2-N 3.26Å; D22-S221 PolarHBondContact OD2-OG 2.9Å; S221-E223 VanDerWaalsContact CB-CD 3.47Å; S221-E223 WeakPolarHBondContact CB-OE2 3.34Å; S221-E223 PolarHBondContact O-N 3.13Å; S221-E223 VanDerWaalsContact OG-CG 3.23Å; S221-E223 WeakPolarHBondContact OG-CG 3.36Å; S221-E223 PolarHBondContact OG-OE2 2.78Å; S221-F224 PolarHBondContact O-N 3.09Å; S221-F224 VanDerWaalsContact O-N 3.09Å; S221-F224 PolarHBondContact OG-N 3.17Å; S221-D225 PolarHBondContact O-N 3.48Å; S221-D225 VanDerWaalsContact O-N 3.16Å
222P98.7Very high97.6Very high0 Ų08.9 Ų8.90%05%0.051CC..Hα-helixtrans-53.6-40.7172.7-27.335.4000113.1F69 F72 F100 I173 F224 D225 I226F69-P222 HydrophobicContact CD2-CG 4.28Å; F69-P222 VanDerWaalsContact CE2-CD 3.42Å; F69-P222 HydrophobicContact CE2-CG 4.48Å; F69-P222 HydrophobicContact CG-CG 4.36Å; F72-P222 HydrophobicContact CB-CB 4.01Å; F72-P222 HydrophobicContact CB-CG 3.74Å; F72-P222 HydrophobicContact CD1-CG 4.28Å; F72-P222 HydrophobicContact CD2-CB 3.89Å; F72-P222 HydrophobicContact CD2-CG 4.23Å; F72-P222 HydrophobicContact CG-CB 4Å; F72-P222 HydrophobicContact CG-CG 3.83Å; F100-P222 HydrophobicContact CE2-CB 3.91Å; F100-P222 HydrophobicContact CZ-CB 3.98Å; I173-P222 HydrophobicContact CD1-CG 3.86Å; P222-F224 VanDerWaalsContact C-N 3.34Å; P222-F224 PolarHBondContact O-N 2.89Å; P222-D225 PolarHBondContact O-N 2Å; P222-I226 WeakPolarHBondContact O-CB 3.32Å; P222-I226 WeakPolarHBondContact O-CG1 3.48Å; P222-I226 PolarHBondContact O-N 2.9Å
223E98.8Very high97.8Very high2 Ų26.4 Ų6.41%0.0093%0.034CC..Hα-helixtrans-66.6-32.9178.160.4-90.4-14100113.4N24 T68 L104 T107 V109 M110 S221 A227N24-E223 WeakPolarHBondContact CB-OE1 3.46Å; N24-E223 PolarHBondContact ND2-OE1 3.49Å; T68-E223 WeakPolarHBondContact CB-OE2 3.28Å; T68-E223 WeakPolarHBondContact CG2-OE2 3.35Å; T68-E223 PolarHBondContact OG1-OE1 3.05Å; T68-E223 PolarHBondContact OG1-OE2 2.86Å; L104-E223 VanDerWaalsContact CD2-CA 3.49Å; L104-E223 HydrophobicContact CD2-CB 3.49Å; L104-E223 VanDerWaalsContact CD2-CB 3.49Å; T107-E223 HydrophobicContact CG2-CB 4.14Å; T107-E223 HydrophobicContact CG2-CG 3.88Å; T107-E223 WeakPolarHBondContact CG2-OE1 3.22Å; V109-E223 HydrophobicContact CB-CB 4.43Å; V109-E223 HydrophobicContact CB-CG 3.99Å; V109-E223 HydrophobicContact CG1-CB 4.36Å; V109-E223 HydrophobicContact CG1-CG 4.26Å; V109-E223 WeakPolarHBondContact CG1-O 3.11Å; V109-E223 HydrophobicContact CG2-CG 4.27Å; M110-E223 HydrophobicContact CG-CB 4.05Å; S221-E223 VanDerWaalsContact CB-CD 3.47Å; S221-E223 WeakPolarHBondContact CB-OE2 3.34Å; S221-E223 PolarHBondContact O-N 3.13Å; S221-E223 VanDerWaalsContact OG-CG 3.23Å; S221-E223 WeakPolarHBondContact OG-CG 3.36Å; S221-E223 PolarHBondContact OG-OE2 2.78Å; E223-A227 WeakPolarHBondContact O-CB 3.18Å; E223-A227 PolarHBondContact O-N 3.47Å
224F98.8Very high98Very high1 Ų12.9 Ų2.90%0.0042%0.016CC..Hα-helixtrans-66.7-50175178.6-93.1000111L18 Y19 D22 F217 S221 P222 I226 A227 I228 I245 M267L18-F224 HydrophobicContact CB-CD2 4.16Å; L18-F224 HydrophobicContact CB-CE2 4.07Å; Y19-F224 HydrophobicContact CD2-CE2 4.33Å; Y19-F224 HydrophobicContact CD2-CZ 4.15Å; D22-F224 HydrophobicContact CB-CD2 4.45Å; D22-F224 VanDerWaalsContact OD2-CB 3.31Å; D22-F224 WeakPolarHBondContact OD2-CB 3.35Å; F217-F224 HydrophobicContact CE1-CE1 4.27Å; S221-F224 PolarHBondContact O-N 3.09Å; S221-F224 VanDerWaalsContact O-N 3.09Å; S221-F224 PolarHBondContact OG-N 3.17Å; P222-F224 VanDerWaalsContact C-N 3.34Å; P222-F224 PolarHBondContact O-N 2.89Å; F224-I226 PolarHBondContact O-N 3.01Å; F224-A227 PolarHBondContact O-N 2.94Å; F224-I228 HydrophobicContact CD1-CG1 4.05Å; F224-I228 HydrophobicContact CD2-CG1 4.23Å; F224-I228 HydrophobicContact CE1-CD1 4.42Å; F224-I228 HydrophobicContact CE1-CG1 3.69Å; F224-I228 HydrophobicContact CE2-CD1 3.89Å; F224-I228 HydrophobicContact CE2-CG1 3.85Å; F224-I228 HydrophobicContact CG-CG1 4.33Å; F224-I228 HydrophobicContact CZ-CD1 3.81Å; F224-I228 HydrophobicContact CZ-CG1 3.58Å; F224-I228 VanDerWaalsContact O-CG1 3.29Å; F224-I228 WeakPolarHBondContact O-CG1 3.49Å; F224-I228 PolarHBondContact O-N 2.99Å; F224-I245 HydrophobicContact CZ-CD1 4.43Å; F224-I245 HydrophobicContact CZ-CG2 4.47Å; F224-M267 HydrophobicContact CE1-CE 4.34Å
225D98.6Very high98.1Very high1 Ų14.9 Ų4.91%0.0053%0.026CC..Hα-helixtrans-59.9-48.9178.9-72.2-12.6000111F157 N171 S220 S221 P222 A227 I228 Y229F157-D225 HydrophobicContact CE1-CB 3.76Å; F157-D225 HydrophobicContact CZ-CB 4.01Å; N171-D225 PolarHBondContact ND2-OD2 2.95Å; N171-D225 VanDerWaalsContact ND2-OD2 3.13Å; S220-D225 WeakPolarHBondContact CB-OD1 3.46Å; S220-D225 VanDerWaalsContact OG-CG 3.3Å; S220-D225 PolarHBondContact OG-OD1 3.18Å; S220-D225 PolarHBondContact OG-OD2 3.4Å; S221-D225 PolarHBondContact O-N 3.48Å; S221-D225 VanDerWaalsContact O-N 3.16Å; P222-D225 PolarHBondContact O-N 2Å; D225-A227 VanDerWaalsContact C-N 3.31Å; D225-A227 PolarHBondContact O-N 2.78Å; D225-I228 PolarHBondContact O-N 2.84Å; D225-Y229 HydrophobicContact CB-CD2 4.39Å; D225-Y229 HydrophobicContact CB-CE2 4.03Å; D225-Y229 WeakPolarHBondContact O-CB 3.34Å; D225-Y229 VanDerWaalsContact O-CD2 3.26Å; D225-Y229 WeakPolarHBondContact O-CD2 3.36Å; D225-Y229 PolarHBondContact O-N 3.06Å
226I98.9Very high97.8Very high0 Ų05.1 Ų5.10%03%0.027CC..Hα-helixtrans-56.8-45.4176.8-70-72.1000110.9F100 L104 M110 L134 W138 F157 P222 F224 T230F100-I226 HydrophobicContact CE1-CD1 4.42Å; F100-I226 HydrophobicContact CE1-CG1 4.37Å; F100-I226 HydrophobicContact CZ-CG1 4.25Å; L104-I226 HydrophobicContact CD1-CB 4.43Å; L104-I226 HydrophobicContact CD1-CG1 4.24Å; L104-I226 HydrophobicContact CD1-CG2 3.98Å; M110-I226 HydrophobicContact CE-CG2 4.44Å; M110-I226 HydrophobicContact SD-CG2 4.25Å; L134-I226 HydrophobicContact CD2-CG2 4.28Å; W138-I226 HydrophobicContact CD2-CD1 3.52Å; W138-I226 VanDerWaalsContact CE2-CD1 3.5Å; W138-I226 HydrophobicContact CE3-CD1 3.87Å; W138-I226 HydrophobicContact CG-CD1 3.97Å; W138-I226 HydrophobicContact CH2-CD1 4.14Å; W138-I226 HydrophobicContact CZ2-CD1 3.83Å; W138-I226 HydrophobicContact CZ2-CG2 4.44Å; W138-I226 HydrophobicContact CZ3-CD1 4.16Å; F157-I226 HydrophobicContact CE2-CD1 3.52Å; F157-I226 HydrophobicContact CE2-CG1 4.38Å; F157-I226 HydrophobicContact CZ-CD1 3.82Å; F157-I226 HydrophobicContact CZ-CG1 4.23Å; P222-I226 WeakPolarHBondContact O-CB 3.32Å; P222-I226 WeakPolarHBondContact O-CG1 3.48Å; P222-I226 PolarHBondContact O-N 2.9Å; F224-I226 PolarHBondContact O-N 3.01Å; I226-T230 WeakPolarHBondContact O-CB 3.38Å; I226-T230 PolarHBondContact O-N 3.29Å; I226-T230 PolarHBondContact O-OG1 3.27Å
227A98.9Very high97Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-64.3-51-179.600000112.5L18 V109 M110 T113 E223 F224 D225 Y229 T230 V231L18-A227 HydrophobicContact CD1-CB 3.86Å; V109-A227 HydrophobicContact CG1-CB 3.67Å; M110-A227 HydrophobicContact SD-CB 4.03Å; T113-A227 HydrophobicContact CG2-CB 4.27Å; T113-A227 VanDerWaalsContact OG1-CB 3.27Å; T113-A227 WeakPolarHBondContact OG1-CB 3.32Å; E223-A227 WeakPolarHBondContact O-CB 3.18Å; E223-A227 PolarHBondContact O-N 3.47Å; F224-A227 PolarHBondContact O-N 2.94Å; D225-A227 VanDerWaalsContact C-N 3.31Å; D225-A227 PolarHBondContact O-N 2.78Å; A227-Y229 PolarHBondContact O-N 3.01Å; A227-T230 PolarHBondContact O-N 2.95Å; A227-V231 WeakPolarHBondContact O-CB 3.37Å; A227-V231 WeakPolarHBondContact O-CG2 3.43Å; A227-V231 PolarHBondContact O-N 2.75Å
228I98.6Very high96.4Very high0 Ų019.3 Ų19.30%09%0.094CC..Hα-helixtrans-58.6-50.6-179.2-66.2-64.4000110.1F15 L18 F224 D225 V231 T232 I245 I252F15-I228 HydrophobicContact CB-CD1 3.54Å; F15-I228 HydrophobicContact CD1-CD1 3.15Å; F15-I228 HydrophobicContact CD2-CD1 3.95Å; F15-I228 HydrophobicContact CE1-CD1 3.68Å; F15-I228 HydrophobicContact CE2-CD1 4.42Å; F15-I228 HydrophobicContact CE2-CG2 4.36Å; F15-I228 HydrophobicContact CG-CD1 3.28Å; F15-I228 HydrophobicContact CZ-CD1 4.29Å; F15-I228 HydrophobicContact CZ-CG2 4.34Å; L18-I228 HydrophobicContact CD1-CD1 4.1Å; F224-I228 HydrophobicContact CD1-CG1 4.05Å; F224-I228 HydrophobicContact CD2-CG1 4.23Å; F224-I228 HydrophobicContact CE1-CD1 4.42Å; F224-I228 HydrophobicContact CE1-CG1 3.69Å; F224-I228 HydrophobicContact CE2-CD1 3.89Å; F224-I228 HydrophobicContact CE2-CG1 3.85Å; F224-I228 HydrophobicContact CG-CG1 4.33Å; F224-I228 HydrophobicContact CZ-CD1 3.81Å; F224-I228 HydrophobicContact CZ-CG1 3.58Å; F224-I228 VanDerWaalsContact O-CG1 3.29Å; F224-I228 WeakPolarHBondContact O-CG1 3.49Å; F224-I228 PolarHBondContact O-N 2.99Å; D225-I228 PolarHBondContact O-N 2.84Å; I228-V231 PolarHBondContact O-N 3.03Å; I228-T232 WeakPolarHBondContact O-CB 3.35Å; I228-T232 PolarHBondContact O-N 2.75Å; I228-T232 PolarHBondContact O-OG1 3.11Å; I228-T232 VanDerWaalsContact O-OG1 3.12Å; I228-I245 HydrophobicContact CD1-CD1 4.36Å; I228-I252 HydrophobicContact CG2-CD1 3.51Å; I228-I252 HydrophobicContact CG2-CG1 4.31Å
229Y98.7Very high96Very high2 Ų225 Ų251%0.00812%0.119CC..Hα-helixtrans-68-39.4-176.7-60.9-20.5000112.3W138 I156 F157 D225 A227 F233 I252 C265 M267W138-Y229 AromaticContact CH2-CD2 3.93Å; W138-Y229 HydrophobicContact CH2-CD2 3.93Å; W138-Y229 HydrophobicContact CH2-CG 4.26Å; I156-Y229 HydrophobicContact CG2-CD2 4.08Å; I156-Y229 HydrophobicContact CG2-CE2 3.89Å; F157-Y229 HydrophobicContact CE1-CE2 4.25Å; F157-Y229 HydrophobicContact CZ-CD2 4.03Å; F157-Y229 HydrophobicContact CZ-CE2 4.17Å; D225-Y229 HydrophobicContact CB-CD2 4.39Å; D225-Y229 HydrophobicContact CB-CE2 4.03Å; D225-Y229 WeakPolarHBondContact O-CB 3.34Å; D225-Y229 VanDerWaalsContact O-CD2 3.26Å; D225-Y229 WeakPolarHBondContact O-CD2 3.36Å; D225-Y229 PolarHBondContact O-N 3.06Å; A227-Y229 PolarHBondContact O-N 3.01Å; Y229-F233 VanDerWaalsContact O-CB 3.22Å; Y229-F233 WeakPolarHBondContact O-CB 3.46Å; Y229-F233 PolarHBondContact O-N 2.96Å; Y229-I252 HydrophobicContact CD1-CG2 4.26Å; Y229-C265 HydrophobicContact CD1-CB 4.08Å; Y229-C265 HydrophobicContact CD2-CB 4.46Å; Y229-C265 HydrophobicContact CG-CB 3.91Å; Y229-M267 HydrophobicContact CE1-CE 3.95Å; Y229-M267 HydrophobicContact CE1-CG 4.1Å; Y229-M267 WeakPolarHBondContact OH-CE 3.48Å
230T98.6Very high95.9Very high0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-60.8-47.5175-61.40000111L117 F133 L134 L137 W138 I226 A227 F233 L234L117-T230 HydrophobicContact CD1-CG2 4.16Å; F133-T230 HydrophobicContact CE1-CG2 3.88Å; L134-T230 HydrophobicContact CD2-CG2 4.04Å; L137-T230 HydrophobicContact CD2-CG2 3.86Å; W138-T230 PolarHBondContact NE1-OG1 2.99Å; I226-T230 WeakPolarHBondContact O-CB 3.38Å; I226-T230 PolarHBondContact O-N 3.29Å; I226-T230 PolarHBondContact O-OG1 3.27Å; A227-T230 PolarHBondContact O-N 2.95Å; T230-F233 PolarHBondContact O-N 2.76Å; T230-L234 HydrophobicContact CG2-CD1 4.02Å; T230-L234 WeakPolarHBondContact O-CB 3.38Å; T230-L234 WeakPolarHBondContact O-CG 3.36Å; T230-L234 PolarHBondContact O-N 3.15Å
231V98.6Very high95.8Very high0 Ų026.9 Ų26.90%013%0.131CC..Hα-helixtrans-68.1-44.4-176.9172.70000111.3L11 F14 F15 T113 F116 L117 A227 I228 L234 L235L11-V231 HydrophobicContact CD2-CG1 3.9Å; F14-V231 HydrophobicContact CD1-CG1 4.31Å; F14-V231 HydrophobicContact CE1-CG1 4.38Å; F14-V231 HydrophobicContact CE1-CG2 4.07Å; F15-V231 HydrophobicContact CE1-CB 3.82Å; F15-V231 HydrophobicContact CE1-CG1 3.6Å; F15-V231 HydrophobicContact CZ-CB 4.17Å; F15-V231 HydrophobicContact CZ-CG1 3.89Å; T113-V231 HydrophobicContact CG2-CG2 3.65Å; F116-V231 HydrophobicContact CD1-CG1 4Å; F116-V231 HydrophobicContact CD1-CG2 4.49Å; F116-V231 HydrophobicContact CE1-CG1 3.68Å; L117-V231 HydrophobicContact CD1-CG2 4.32Å; L117-V231 HydrophobicContact CD2-CG2 4.07Å; L117-V231 HydrophobicContact CG-CG2 4.2Å; A227-V231 WeakPolarHBondContact O-CB 3.37Å; A227-V231 WeakPolarHBondContact O-CG2 3.43Å; A227-V231 PolarHBondContact O-N 2.75Å; I228-V231 PolarHBondContact O-N 3.03Å; V231-L234 PolarHBondContact O-N 3.2Å; V231-L235 HydrophobicContact CG1-CD1 3.73Å; V231-L235 WeakPolarHBondContact O-CB 3.36Å; V231-L235 PolarHBondContact O-N 2.93Å
232T97.9Very high95.8Very high1 Ų130 Ų301%0.00615%0.145CC..Hα-helixtrans-61.5-46.2175.2-62.70000110.7F15 I228 L234 L235 S236 I252 C254F15-T232 WeakPolarHBondContact CZ-OG1 3.45Å; I228-T232 WeakPolarHBondContact O-CB 3.35Å; I228-T232 PolarHBondContact O-N 2.75Å; I228-T232 PolarHBondContact O-OG1 3.11Å; I228-T232 VanDerWaalsContact O-OG1 3.12Å; T232-L234 VanDerWaalsContact C-N 3.29Å; T232-L234 PolarHBondContact O-N 3.18Å; T232-L235 PolarHBondContact O-N 2.77Å; T232-S236 WeakPolarHBondContact O-CB 3.15Å; T232-S236 PolarHBondContact O-N 3.39Å; T232-S236 PolarHBondContact O-OG 3.15Å; T232-I252 HydrophobicContact CG2-CB 4.09Å; T232-I252 HydrophobicContact CG2-CG2 3.72Å; T232-I252 WeakPolarHBondContact OG1-CD1 3.4Å; T232-C254 HydrophobicContact CG2-CB 4.48Å; T232-C254 VanDerWaalsContact CG2-SG 3.54Å
233F97.5Very high95.7Very high7 Ų730.1 Ų30.13%0.03115%0.145CC..Hα-helixtrans-56.8-42.5177.7172.1-105.5000112.3L137 Y229 T230 R256 L262L137-F233 HydrophobicContact CD1-CD1 3.78Å; L137-F233 HydrophobicContact CD1-CE1 3.51Å; L137-F233 HydrophobicContact CD1-CZ 4.17Å; L137-F233 HydrophobicContact CD2-CD1 4.23Å; Y229-F233 VanDerWaalsContact O-CB 3.22Å; Y229-F233 WeakPolarHBondContact O-CB 3.46Å; Y229-F233 PolarHBondContact O-N 2.96Å; T230-F233 PolarHBondContact O-N 2.76Å; F233-R256 HydrophobicContact CD2-CG 4Å; F233-R256 HydrophobicContact CE2-CB 4.2Å; F233-R256 HydrophobicContact CE2-CG 3.56Å; F233-R256 PolarHBondContact O-NH2 3.28Å; F233-L262 HydrophobicContact CB-CD1 4.14Å; F233-L262 HydrophobicContact CD2-CB 4.03Å; F233-L262 HydrophobicContact CD2-CD1 3.48Å; F233-L262 VanDerWaalsContact CD2-CD1 3.48Å; F233-L262 HydrophobicContact CD2-CG 4.31Å; F233-L262 HydrophobicContact CE2-CB 4.02Å; F233-L262 HydrophobicContact CE2-CD1 4.15Å; F233-L262 HydrophobicContact CG-CB 4.37Å; F233-L262 HydrophobicContact CG-CD1 4.01Å; F233-L262 HydrophobicContact CZ-CB 4.42Å
234L96.8Very high95.6Very high29 Ų2933.5 Ų33.515%0.15216%0.161CC..Hα-helixtrans-79-28.8-176.5-70.7177.2000114.9L117 K122 F133 T230 V231 T232L117-L234 HydrophobicContact CD1-CD1 3.82Å; L117-L234 HydrophobicContact CD2-CB 4.36Å; L117-L234 HydrophobicContact CD2-CD1 3.81Å; L117-L234 HydrophobicContact CG-CD1 4.43Å; K122-L234 HydrophobicContact CB-CB 4.47Å; K122-L234 HydrophobicContact CB-CD1 4.31Å; K122-L234 VanDerWaalsContact CE-O 3.26Å; K122-L234 WeakPolarHBondContact CE-O 3.36Å; K122-L234 HydrophobicContact CG-CB 4.41Å; F133-L234 HydrophobicContact CE1-CD1 3.95Å; F133-L234 HydrophobicContact CE2-CD2 4.41Å; F133-L234 HydrophobicContact CZ-CD1 3.7Å; F133-L234 HydrophobicContact CZ-CD2 3.9Å; F133-L234 HydrophobicContact CZ-CG 4.19Å; T230-L234 HydrophobicContact CG2-CD1 4.02Å; T230-L234 WeakPolarHBondContact O-CB 3.38Å; T230-L234 WeakPolarHBondContact O-CG 3.36Å; T230-L234 PolarHBondContact O-N 3.15Å; V231-L234 PolarHBondContact O-N 3.2Å; T232-L234 VanDerWaalsContact C-N 3.29Å; T232-L234 PolarHBondContact O-N 3.18Å
235L95.7Very high95.6Very high42 Ų4233.7 Ų33.722%0.2216%0.162CC..Hα-helixtrans-107.6-27.2-172.9-66.4175.7000114.2L11 F116 K120 K122 V231 T232 E237L11-L235 HydrophobicContact CD2-CD1 3.83Å; F116-L235 HydrophobicContact CD1-CD1 4.28Å; F116-L235 HydrophobicContact CE1-CD1 3.4Å; F116-L235 HydrophobicContact CZ-CD1 4.01Å; K120-L235 HydrophobicContact CB-CD2 3.88Å; K120-L235 HydrophobicContact CD-CD2 4.46Å; K120-L235 HydrophobicContact CG-CD1 4.13Å; K120-L235 HydrophobicContact CG-CD2 4.04Å; K122-L235 HydrophobicContact CD-CD2 4.21Å; K122-L235 HydrophobicContact CG-CD2 3.63Å; K122-L235 HydrophobicContact CG-CG 4.47Å; V231-L235 HydrophobicContact CG1-CD1 3.73Å; V231-L235 WeakPolarHBondContact O-CB 3.36Å; V231-L235 PolarHBondContact O-N 2.93Å; T232-L235 PolarHBondContact O-N 2.77Å; L235-E237 PolarHBondContact O-N 3.03Å
236S90.1Very high95.4Very high10 Ų1035.9 Ų35.97%0.0718%0.18CC..  trans-83.1121.3-179.5-65.70000110.8T232 Q238 T241 R256T232-S236 WeakPolarHBondContact O-CB 3.15Å; T232-S236 PolarHBondContact O-N 3.39Å; T232-S236 PolarHBondContact O-OG 3.15Å; S236-Q238 VanDerWaalsContact C-N 3.28Å; S236-T241 WeakPolarHBondContact CB-OG1 3.41Å; S236-T241 PolarHBondContact OG-OG1 2.7Å; S236-R256 PolarHBondContact O-NH2 3.35Å
237E82.4Confident95.3Very high193 Ų19338.5 Ų38.590%0.90221%0.207SC*.SBendtrans-77-20.6171.9-62.8-178.1173.500112.1L235L235-E237 PolarHBondContact O-N 3.03Å
238Q83.9Confident95.1Very high114 Ų11439.5 Ų39.553%0.53321%0.214SC..SBendtrans-101.8149.2-176.3-55.9-169.824.500111.7S236 S240S236-Q238 VanDerWaalsContact C-N 3.28Å; Q238-S240 PolarHBondContact O-N 2.8Å
239F90.7Very high95.1Very high120 Ų12046.5 Ų46.553%0.52625%0.245SC..SBendtrans-57.4-33.5175.3173.5-100.3000113.6I253 C254 A255F239-I253 HydrophobicContact CD1-CG2 4.06Å; F239-I253 HydrophobicContact CD2-CG2 4.33Å; F239-I253 HydrophobicContact CE1-CG2 3.4Å; F239-I253 HydrophobicContact CE2-CG2 3.72Å; F239-I253 HydrophobicContact CG-CG2 4.49Å; F239-I253 HydrophobicContact CZ-CG2 3.21Å; F239-I253 CarbonylContact O-C 3.15Å; F239-I253 WeakPolarHBondContact O-CA 3.41Å; F239-C254 PolarHBondContact O-N 3.22Å; F239-A255 HydrophobicContact CD2-CB 3.97Å; F239-A255 HydrophobicContact CE2-CB 3.61Å
240S95.3Very high95Very high33 Ų3346.9 Ų46.923%0.23125%0.247CC..EExtended strand (participates in β ladder)trans-124.6123-178.1166.50000110.4Q238Q238-S240 PolarHBondContact O-N 2.8Å
241T96.5Very high94.9Very high10 Ų1050.7 Ų50.76%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-114.4116178.7-53.60000110.2N8 L11 S236 V243 K251 I252N8-T241 HydrophobicContact CB-CG2 4.09Å; L11-T241 HydrophobicContact CD1-CG2 3.93Å; S236-T241 WeakPolarHBondContact CB-OG1 3.41Å; S236-T241 PolarHBondContact OG-OG1 2.7Å; T241-V243 HydrophobicContact CG2-CG1 4.02Å; T241-K251 CarbonylContact O-C 3.54Å; T241-K251 WeakPolarHBondContact O-CA 3.38Å; T241-I252 PolarHBondContact N-O 2.79Å; T241-I252 PolarHBondContact O-N 2.81Å
242K96.8Very high94.9Very high66 Ų6650.7 Ų50.729%0.28726%0.263SS..EExtended strand (participates in β ladder)trans-80.4130.3172.8-69.2-176.6-168.7172.20110S4 P5 V7 N8 K251S4-K242 PolarHBondContact OG-NZ 2.81Å; P5-K242 WeakPolarHBondContact O-CD 3.22Å; V7-K242 HydrophobicContact CG2-CB 4.49Å; N8-K242 PolarHBondContact N-O 2.77Å; K242-K251 HydrophobicContact CG-CG 3.8Å
243V97.3Very high94.8Very high1 Ų151.4 Ų51.41%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-138.6163.3177.1-64.90000110.9N8 L11 S12 F15 T241 I245 K249 L250 I252N8-V243 HydrophobicContact CB-CG1 4.4Å; L11-V243 HydrophobicContact CB-CG1 3.95Å; S12-V243 VanDerWaalsContact OG-CA 3.31Å; S12-V243 WeakPolarHBondContact OG-CA 3.45Å; F15-V243 HydrophobicContact CD2-CB 4.36Å; F15-V243 HydrophobicContact CD2-CG1 4.05Å; F15-V243 HydrophobicContact CD2-CG2 4.24Å; F15-V243 HydrophobicContact CE2-CG1 4.1Å; T241-V243 HydrophobicContact CG2-CG1 4.02Å; V243-I245 HydrophobicContact CG2-CD1 4.21Å; V243-I245 HydrophobicContact CG2-CG1 4.02Å; V243-K249 WeakPolarHBondContact O-CA 3.2Å; V243-L250 HydrophobicContact CG2-CD1 3.52Å; V243-L250 HydrophobicContact CG2-CG 4.14Å; V243-L250 PolarHBondContact N-O 3.33Å; V243-L250 PolarHBondContact O-N 2.87Å; V243-L250 VanDerWaalsContact O-O 3.09Å; V243-I252 HydrophobicContact CG1-CD1 4.49Å; V243-I252 HydrophobicContact CG2-CD1 3.75Å; V243-I252 HydrophobicContact CG2-CG1 4.11Å
244Q97.4Very high94.8Very high73 Ų7351.6 Ų51.634%0.34127%0.269SS..EExtended strand (participates in β ladder)trans-120.7112.3168.7-173.6170.7-41.600109.9V7 S12 T16 C248 K249V7-Q244 HydrophobicContact CG1-CB 4.5Å; S12-Q244 WeakPolarHBondContact CA-O 3.21Å; S12-Q244 WeakPolarHBondContact CB-O 3.2Å; S12-Q244 PolarHBondContact OG-N 3.08Å; T16-Q244 PolarHBondContact OG1-O 3.08Å; Q244-C248 CarbonylContact C-O 3.52Å; Q244-C248 VanDerWaalsContact CA-O 3.24Å; Q244-C248 WeakPolarHBondContact CA-O 3.43Å; Q244-K249 HydrophobicContact CB-CG 4.28Å; Q244-K249 HydrophobicContact CG-CG 4.05Å
245I97.8Very high94.7Very high5 Ų551.1 Ų51.13%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-107.1113.6-179.1-54.8-176.1000108.3F15 Y19 F224 I228 V243 G247 C248 L250F15-I245 HydrophobicContact CB-CD1 3.78Å; F15-I245 HydrophobicContact CB-CG1 3.78Å; F15-I245 HydrophobicContact CD2-CD1 4.25Å; F15-I245 HydrophobicContact CG-CD1 4.39Å; Y19-I245 HydrophobicContact CD2-CG2 4.11Å; Y19-I245 HydrophobicContact CG-CG2 3.99Å; F224-I245 HydrophobicContact CZ-CD1 4.43Å; F224-I245 HydrophobicContact CZ-CG2 4.47Å; I228-I245 HydrophobicContact CD1-CD1 4.36Å; V243-I245 HydrophobicContact CG2-CD1 4.21Å; V243-I245 HydrophobicContact CG2-CG1 4.02Å; I245-G247 PolarHBondContact O-N 2.82Å; I245-C248 PolarHBondContact N-O 3.02Å; I245-C248 PolarHBondContact O-N 3.27Å; I245-L250 HydrophobicContact CD1-CD1 4.46Å; I245-L250 HydrophobicContact CD1-CD2 4.21Å
246A95.7Very high94.7Very high47 Ų4754.7 Ų54.739%0.38828%0.28SS..THydrogen-bonded Turntrans5036.4177.900000114.3T16 Y19T16-A246 HydrophobicContact CG2-CB 4.31Å; T16-A246 PolarHBondContact OG1-N 2.87Å; Y19-A246 HydrophobicContact CD1-CB 3.54Å; Y19-A246 HydrophobicContact CE1-CB 3.8Å; Y19-A246 HydrophobicContact CG-CB 4.2Å
247G95.1Very high94.8Very high55 Ų5557.8 Ų57.857%0.56730%0.296SS*.THydrogen-bonded Turntrans94.7-17.6-177.800000114.5I245I245-G247 PolarHBondContact O-N 2.82Å
248C96.5Very high95.2Very high22 Ų2250.1 Ų50.115%0.14926%0.263CS..EExtended strand (participates in β ladder)trans-84.6122.5174.7-1680000112.4C194 Q244 I245C194-C248 WeakPolarHBondContact CA-SG 3.15Å; C194-C248 HydrophobicContact CB-CB 3.64Å; C194-C248 WeakPolarHBondContact CB-SG 3.46Å; C194-C248 PolarHBondContact N-SG 2.85Å; C194-C248 WeakPolarHBondContact SG-CB 3.45Å; C194-C248 CovalentContact SG-SG 2Å; C194-C248 PolarHBondContact SG-SG 2.99Å; Q244-C248 CarbonylContact C-O 3.52Å; Q244-C248 VanDerWaalsContact CA-O 3.24Å; Q244-C248 WeakPolarHBondContact CA-O 3.43Å; I245-C248 PolarHBondContact N-O 3.02Å; I245-C248 PolarHBondContact O-N 3.27Å
249K96.7Very high95.5Very high147 Ų14750 Ų5064%0.63927%0.273SS*.EExtended strand (participates in β ladder)trans-86.5124.6172.5-67.1179.8-178.81770110.2V243 Q244V243-K249 WeakPolarHBondContact O-CA 3.2Å; Q244-K249 HydrophobicContact CB-CG 4.28Å; Q244-K249 HydrophobicContact CG-CG 4.05Å
250L96.9Very high95.5Very high9 Ų948.5 Ų48.55%0.04727%0.273CS..EExtended strand (participates in β ladder)trans-146.4168.917961.783.4000111.5L198 F217 V243 I245 I252 M267L198-L250 HydrophobicContact CD2-CB 3.62Å; L198-L250 HydrophobicContact CD2-CD2 4.03Å; L198-L250 HydrophobicContact CD2-CG 4.43Å; F217-L250 HydrophobicContact CE2-CD2 4.16Å; V243-L250 HydrophobicContact CG2-CD1 3.52Å; V243-L250 HydrophobicContact CG2-CG 4.14Å; V243-L250 PolarHBondContact N-O 3.33Å; V243-L250 PolarHBondContact O-N 2.87Å; V243-L250 VanDerWaalsContact O-O 3.09Å; I245-L250 HydrophobicContact CD1-CD1 4.46Å; I245-L250 HydrophobicContact CD1-CD2 4.21Å; L250-I252 HydrophobicContact CD1-CD1 4.36Å; L250-I252 HydrophobicContact CD1-CG1 3.63Å; L250-M267 HydrophobicContact CD1-CB 4.33Å; L250-M267 HydrophobicContact CD1-CG 4Å; L250-M267 HydrophobicContact CD1-SD 4.46Å; L250-M267 HydrophobicContact CD2-SD 4.21Å
251K96.9Very high95.5Very high80 Ų8049 Ų4935%0.34827%0.272SS..EExtended strand (participates in β ladder)trans-108.1136.9169.3-71.3172.8-71.9163.60109T241 K242 M267 T268T241-K251 CarbonylContact O-C 3.54Å; T241-K251 WeakPolarHBondContact O-CA 3.38Å; K242-K251 HydrophobicContact CG-CG 3.8Å; K251-M267 CarbonylContact O-C 3.49Å; K251-M267 WeakPolarHBondContact O-CA 3.05Å; K251-T268 HydrophobicContact CB-CG2 3.98Å; K251-T268 PolarHBondContact N-O 3.17Å; K251-T268 PolarHBondContact O-N 2.84Å
252I98Very high95.5Very high0 Ų048.6 Ų48.60%027%0.269CS..EExtended strand (participates in β ladder)trans-103.2116.5165.2-54.6163000106.6F15 I228 Y229 T232 T241 V243 L250 C265 Y266 M267F15-I252 HydrophobicContact CD2-CD1 3.89Å; F15-I252 HydrophobicContact CE2-CD1 3.42Å; F15-I252 VanDerWaalsContact CE2-CD1 3.42Å; F15-I252 HydrophobicContact CZ-CD1 4.28Å; I228-I252 HydrophobicContact CG2-CD1 3.51Å; I228-I252 HydrophobicContact CG2-CG1 4.31Å; Y229-I252 HydrophobicContact CD1-CG2 4.26Å; T232-I252 HydrophobicContact CG2-CB 4.09Å; T232-I252 HydrophobicContact CG2-CG2 3.72Å; T232-I252 WeakPolarHBondContact OG1-CD1 3.4Å; T241-I252 PolarHBondContact N-O 2.79Å; T241-I252 PolarHBondContact O-N 2.81Å; V243-I252 HydrophobicContact CG1-CD1 4.49Å; V243-I252 HydrophobicContact CG2-CD1 3.75Å; V243-I252 HydrophobicContact CG2-CG1 4.11Å; L250-I252 HydrophobicContact CD1-CD1 4.36Å; L250-I252 HydrophobicContact CD1-CG1 3.63Å; I252-C265 WeakPolarHBondContact CG2-SG 3.29Å; I252-Y266 WeakPolarHBondContact CA-O 3.41Å; I252-M267 HydrophobicContact CG1-CG 4.08Å
253I97.3Very high95.4Very high17 Ų1746.1 Ų46.19%0.08726%0.26CS..EExtended strand (participates in β ladder)trans-98.7116.7177.1-66.4177.7000106.7F239 C265 Y266 T268F239-I253 HydrophobicContact CD1-CG2 4.06Å; F239-I253 HydrophobicContact CD2-CG2 4.33Å; F239-I253 HydrophobicContact CE1-CG2 3.4Å; F239-I253 HydrophobicContact CE2-CG2 3.72Å; F239-I253 HydrophobicContact CG-CG2 4.49Å; F239-I253 HydrophobicContact CZ-CG2 3.21Å; F239-I253 CarbonylContact O-C 3.15Å; F239-I253 WeakPolarHBondContact O-CA 3.41Å; I253-C265 CarbonylContact O-C 3.5Å; I253-C265 WeakPolarHBondContact O-CA 3.41Å; I253-C265 PolarHBondContact O-SG 3.35Å; I253-Y266 HydrophobicContact CB-CE1 4.13Å; I253-Y266 HydrophobicContact CB-CE2 4.2Å; I253-Y266 HydrophobicContact CD1-CE2 3.87Å; I253-Y266 HydrophobicContact CG1-CE2 4.46Å; I253-Y266 HydrophobicContact CG2-CE1 3.95Å; I253-Y266 PolarHBondContact N-O 2.81Å; I253-Y266 PolarHBondContact O-N 3.26Å; I253-T268 HydrophobicContact CD1-CG2 3.64Å; I253-T268 HydrophobicContact CG1-CG2 4.11Å
254C97.2Very high95.4Very high10 Ų1046.9 Ų46.97%0.06827%0.265CS..EExtended strand (participates in β ladder)trans-122.7128.4170.5-650000109.7T232 F239 L262 T264 C265T232-C254 HydrophobicContact CG2-CB 4.48Å; T232-C254 VanDerWaalsContact CG2-SG 3.54Å; F239-C254 PolarHBondContact O-N 3.22Å; C254-L262 HydrophobicContact CB-CD1 4.19Å; C254-T264 CarbonylContact C-O 3.48Å; C254-T264 VanDerWaalsContact CA-O 3.27Å; C254-T264 WeakPolarHBondContact CA-O 3.42Å; C254-C265 VanDerWaalsContact CA-SG 3.59Å; C254-C265 HydrophobicContact CB-CB 3.86Å; C254-C265 WeakPolarHBondContact CB-SG 3.37Å; C254-C265 WeakPolarHBondContact SG-CB 3.42Å; C254-C265 CovalentContact SG-SG 2.04Å; C254-C265 PolarHBondContact SG-SG 3.23Å
255A95.5Very high95.4Very high20 Ų2043.4 Ų43.417%0.16525%0.248CC..EExtended strand (participates in β ladder)trans-108.9148173.200000110.9F239 S263 T264F239-A255 HydrophobicContact CD2-CB 3.97Å; F239-A255 HydrophobicContact CE2-CB 3.61Å; A255-S263 VanDerWaalsContact O-CB 3.3Å; A255-S263 WeakPolarHBondContact O-CB 3.11Å; A255-S263 PolarHBondContact O-N 3.38Å; A255-T264 HydrophobicContact CB-CG2 3.67Å; A255-T264 PolarHBondContact N-O 3Å; A255-T264 PolarHBondContact O-N 2.79Å
256R94.2Very high95.4Very high116 Ų11645.6 Ų45.644%0.43826%0.257SS..EExtended strand (participates in β ladder)trans-112.9140.7-179.9-47.1-162.7173.8149.5-0.5110.3F233 S236 E261F233-R256 HydrophobicContact CD2-CG 4Å; F233-R256 HydrophobicContact CE2-CB 4.2Å; F233-R256 HydrophobicContact CE2-CG 3.56Å; F233-R256 PolarHBondContact O-NH2 3.28Å; S236-R256 PolarHBondContact O-NH2 3.35Å; R256-E261 WeakPolarHBondContact CA-O 3.29Å
257L92.1Very high95.5Very high76 Ų7643.5 Ų43.540%0.39824%0.239SC..EExtended strand (participates in β ladder)trans-85.5-37.7165.1-73.2176.7000110.9Y142 E261Y142-L257 HydrophobicContact CD1-CD1 4.3Å; Y142-L257 HydrophobicContact CD2-CD1 3.26Å; Y142-L257 HydrophobicContact CE1-CD1 4.18Å; Y142-L257 HydrophobicContact CE2-CD1 3.14Å; Y142-L257 HydrophobicContact CG-CD1 3.86Å; L257-E261 HydrophobicContact CB-CB 4.14Å; L257-E261 PolarHBondContact N-O 2.89Å
258S91.6Very high95.5Very high32 Ų3242 Ų4222%0.22422%0.219CC..EExtended strand (participates in β ladder)trans-146.9172.6174.471.90000108.9T260 E261S258-T260 PolarHBondContact O-N 3.46Å; S258-E261 WeakPolarHBondContact CB-OE2 3.46Å; S258-E261 PolarHBondContact O-N 3.42Å; S258-E261 VanDerWaalsContact O-N 3.17Å; S258-E261 VanDerWaalsContact OG-CB 3.3Å; S258-E261 WeakPolarHBondContact OG-CB 3.4Å; S258-E261 VanDerWaalsContact OG-CD 3.25Å; S258-E261 VanDerWaalsContact OG-CG 3.28Å; S258-E261 WeakPolarHBondContact OG-CG 3.43Å; S258-E261 PolarHBondContact OG-N 3.43Å; S258-E261 PolarHBondContact OG-OE2 3.42Å
259P90Very high95.5Very high112 Ų11243 Ų4373%0.72722%0.222SC*.THydrogen-bonded Turntrans-54.5-23.8179.3-28.537.2000114.8
260T91.2Very high95.4Very high87 Ų8737.5 Ų37.553%0.53420%0.2SC..THydrogen-bonded Turntrans-111.9-3.8-177.455.60000113.7S258S258-T260 PolarHBondContact O-N 3.46Å
261E94.5Very high95.3Very high45 Ų4539.1 Ų39.121%0.2121%0.209CC..EExtended strand (participates in β ladder)trans-118.1115-174.1-67.7166153.500111Y142 R256 L257 S258Y142-E261 WeakPolarHBondContact CB-OE1 3.46Å; Y142-E261 HydrophobicContact CD1-CB 4.14Å; Y142-E261 HydrophobicContact CD1-CG 4.23Å; R256-E261 WeakPolarHBondContact CA-O 3.29Å; L257-E261 HydrophobicContact CB-CB 4.14Å; L257-E261 PolarHBondContact N-O 2.89Å; S258-E261 WeakPolarHBondContact CB-OE2 3.46Å; S258-E261 PolarHBondContact O-N 3.42Å; S258-E261 VanDerWaalsContact O-N 3.17Å; S258-E261 VanDerWaalsContact OG-CB 3.3Å; S258-E261 WeakPolarHBondContact OG-CB 3.4Å; S258-E261 VanDerWaalsContact OG-CD 3.25Å; S258-E261 VanDerWaalsContact OG-CG 3.28Å; S258-E261 WeakPolarHBondContact OG-CG 3.43Å; S258-E261 PolarHBondContact OG-N 3.43Å; S258-E261 PolarHBondContact OG-OE2 3.42Å
262L96.4Very high95.2Very high0 Ų036.6 Ų36.60%020%0.2CC..EExtended strand (participates in β ladder)trans-77.4120.1175.1178.663000110.1L137 W138 Y142 A152 I156 F233 C254 T264 C265L137-L262 HydrophobicContact CD1-CB 3.96Å; W138-L262 HydrophobicContact CH2-CD2 3.77Å; W138-L262 HydrophobicContact CZ2-CD2 4.24Å; W138-L262 HydrophobicContact CZ3-CD2 4.01Å; Y142-L262 VanDerWaalsContact CE1-O 3.31Å; Y142-L262 WeakPolarHBondContact CE1-O 3.35Å; Y142-L262 PolarHBondContact OH-O 3.45Å; A152-L262 HydrophobicContact CB-CB 3.96Å; A152-L262 HydrophobicContact CB-CD2 4.32Å; A152-L262 HydrophobicContact CB-CG 4.24Å; A152-L262 WeakPolarHBondContact CB-O 3.48Å; I156-L262 HydrophobicContact CD1-CD2 3.61Å; I156-L262 HydrophobicContact CD1-CG 3.95Å; F233-L262 HydrophobicContact CB-CD1 4.14Å; F233-L262 HydrophobicContact CD2-CB 4.03Å; F233-L262 HydrophobicContact CD2-CD1 3.48Å; F233-L262 VanDerWaalsContact CD2-CD1 3.48Å; F233-L262 HydrophobicContact CD2-CG 4.31Å; F233-L262 HydrophobicContact CE2-CB 4.02Å; F233-L262 HydrophobicContact CE2-CD1 4.15Å; F233-L262 HydrophobicContact CG-CB 4.37Å; F233-L262 HydrophobicContact CG-CD1 4.01Å; F233-L262 HydrophobicContact CZ-CB 4.42Å; C254-L262 HydrophobicContact CB-CD1 4.19Å; L262-T264 WeakPolarHBondContact CD1-O 3.29Å; L262-C265 HydrophobicContact CD1-CB 4.09Å; L262-C265 HydrophobicContact CD2-CB 4.28Å
263S95.1Very high95.1Very high14 Ų1438.9 Ų38.910%0.09821%0.213CC..EExtended strand (participates in β ladder)trans-84.8-45.8179.7-166.90000112.2R144 H155 A255R144-S263 PolarHBondContact NH2-O 3.49Å; R144-S263 PolarHBondContact NH2-OG 3.18Å; H155-S263 PolarHBondContact CD2-O 3.1Å; A255-S263 VanDerWaalsContact O-CB 3.3Å; A255-S263 WeakPolarHBondContact O-CB 3.11Å; A255-S263 PolarHBondContact O-N 3.38Å
264T96.8Very high94.9Very high17 Ų1740.4 Ų40.410%0.10422%0.221CC..EExtended strand (participates in β ladder)trans-159148.1179.1-169.40000107.9H155 C254 A255 L262 Y266H155-T264 VanDerWaalsContact CD2-CB 3.44Å; H155-T264 WeakPolarHBondContact CD2-CB 3.39Å; H155-T264 PolarHBondContact CD2-OG1 2.86Å; H155-T264 WeakPolarHBondContact NE2-CB 3.26Å; H155-T264 PolarHBondContact NE2-OG1 3.31Å; C254-T264 CarbonylContact C-O 3.48Å; C254-T264 VanDerWaalsContact CA-O 3.27Å; C254-T264 WeakPolarHBondContact CA-O 3.42Å; A255-T264 HydrophobicContact CB-CG2 3.67Å; A255-T264 PolarHBondContact N-O 3Å; A255-T264 PolarHBondContact O-N 2.79Å; L262-T264 WeakPolarHBondContact CD1-O 3.29Å; T264-Y266 HydrophobicContact CG2-CE1 4.36Å
265C98Very high94.8Very high0 Ų042.6 Ų42.60%023%0.232CC..EExtended strand (participates in β ladder)trans-149.6136.2163.6-159.60000111.4I156 Y229 I252 I253 C254 L262I156-C265 HydrophobicContact CD1-CB 4.14Å; I156-C265 VanDerWaalsContact CG2-O 3.28Å; I156-C265 WeakPolarHBondContact CG2-O 3.27Å; Y229-C265 HydrophobicContact CD1-CB 4.08Å; Y229-C265 HydrophobicContact CD2-CB 4.46Å; Y229-C265 HydrophobicContact CG-CB 3.91Å; I252-C265 WeakPolarHBondContact CG2-SG 3.29Å; I253-C265 CarbonylContact O-C 3.5Å; I253-C265 WeakPolarHBondContact O-CA 3.41Å; I253-C265 PolarHBondContact O-SG 3.35Å; C254-C265 VanDerWaalsContact CA-SG 3.59Å; C254-C265 HydrophobicContact CB-CB 3.86Å; C254-C265 WeakPolarHBondContact CB-SG 3.37Å; C254-C265 WeakPolarHBondContact SG-CB 3.42Å; C254-C265 CovalentContact SG-SG 2.04Å; C254-C265 PolarHBondContact SG-SG 3.23Å; L262-C265 HydrophobicContact CD1-CB 4.09Å; L262-C265 HydrophobicContact CD2-CB 4.28Å
266Y98Very high94.7Very high52 Ų5244.3 Ų44.320%0.20424%0.238CC..EExtended strand (participates in β ladder)trans-158.5162.2-178.960.7-89.4000112.6H170 S215 I252 I253 T264 T268H170-Y266 AromaticContact CD2-CD1 3.87Å; H170-Y266 AromaticContact CE1-CD1 3.65Å; H170-Y266 AromaticContact CE1-CG 3.61Å; H170-Y266 AromaticContact CG-CG 3.91Å; H170-Y266 WeakPolarHBondContact ND1-CB 3.4Å; H170-Y266 AromaticContact ND1-CG 3.63Å; H170-Y266 AromaticContact NE2-CD1 3.52Å; H170-Y266 AromaticContact NE2-CG 3.9Å; S215-Y266 WeakPolarHBondContact OG-CD2 3.41Å; I252-Y266 WeakPolarHBondContact CA-O 3.41Å; I253-Y266 HydrophobicContact CB-CE1 4.13Å; I253-Y266 HydrophobicContact CB-CE2 4.2Å; I253-Y266 HydrophobicContact CD1-CE2 3.87Å; I253-Y266 HydrophobicContact CG1-CE2 4.46Å; I253-Y266 HydrophobicContact CG2-CE1 3.95Å; I253-Y266 PolarHBondContact N-O 2.81Å; I253-Y266 PolarHBondContact O-N 3.26Å; T264-Y266 HydrophobicContact CG2-CE1 4.36Å; Y266-T268 HydrophobicContact CE2-CG2 4.27Å
267M98Very high94.8Very high2 Ų238.3 Ų38.31%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-96.1143.7177.9-70.9175.3-88.700111.2L198 S215 F217 F224 Y229 L250 K251 I252L198-M267 HydrophobicContact CD1-CB 3.89Å; L198-M267 WeakPolarHBondContact CD1-O 3.13Å; L198-M267 HydrophobicContact CD2-CB 4.35Å; S215-M267 VanDerWaalsContact CB-O 3.29Å; S215-M267 WeakPolarHBondContact CB-O 3.34Å; S215-M267 PolarHBondContact OG-O 2.69Å; S215-M267 VanDerWaalsContact OG-O 3.06Å; F217-M267 HydrophobicContact CB-CE 3.44Å; F217-M267 VanDerWaalsContact CB-CE 3.44Å; F217-M267 HydrophobicContact CB-SD 4.19Å; F217-M267 HydrophobicContact CD1-CE 4.12Å; F217-M267 HydrophobicContact CD2-CE 4.03Å; F217-M267 HydrophobicContact CD2-SD 3.69Å; F217-M267 HydrophobicContact CE2-SD 4.24Å; F217-M267 HydrophobicContact CG-CE 3.59Å; F217-M267 HydrophobicContact CG-SD 3.92Å; F224-M267 HydrophobicContact CE1-CE 4.34Å; Y229-M267 HydrophobicContact CE1-CE 3.95Å; Y229-M267 HydrophobicContact CE1-CG 4.1Å; Y229-M267 WeakPolarHBondContact OH-CE 3.48Å; L250-M267 HydrophobicContact CD1-CB 4.33Å; L250-M267 HydrophobicContact CD1-CG 4Å; L250-M267 HydrophobicContact CD1-SD 4.46Å; L250-M267 HydrophobicContact CD2-SD 4.21Å; K251-M267 CarbonylContact O-C 3.49Å; K251-M267 WeakPolarHBondContact O-CA 3.05Å; I252-M267 HydrophobicContact CG1-CG 4.08Å
268T95.4Very high95Very high23 Ų2334.9 Ų34.914%0.14121%0.205CC..  trans-156.20178.5179.20000115K191 K251 I253 Y266K191-T268 PolarHBondContact NZ-OXT 2.77Å; K251-T268 HydrophobicContact CB-CG2 3.98Å; K251-T268 PolarHBondContact N-O 3.17Å; K251-T268 PolarHBondContact O-N 2.84Å; I253-T268 HydrophobicContact CD1-CG2 3.64Å; I253-T268 HydrophobicContact CG1-CG2 4.11Å; Y266-T268 HydrophobicContact CE2-CG2 4.27Å

Retrieved 268 of 268 residues in 754.6 ms (Link to these results)

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