A0A3Q0KJ43_SCHMA Loading...

Bestrophin homolog

Forms chloride channels.

AlphaFold DB , UniProt , Accession A0A3Q0KJ43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 437 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
1M88.4Confident93.2Very high92 Ų9257.6 Ų57.645%0.45335%0.35SS..  0-55.90-64.1-46.4-70.300113.8L3 Y4 A5 F231 P232 F236M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.24Å; M1-Y4 WeakPolarHBondContact O-CB 3.38Å; M1-Y4 PolarHBondContact O-N 2.87Å; M1-A5 PolarHBondContact O-N 2.93Å; M1-F231 HydrophobicContact CE-CD2 3.95Å; M1-F231 HydrophobicContact CE-CE2 3.41Å; M1-F231 VanDerWaalsContact CE-CE2 3.41Å; M1-F231 HydrophobicContact CE-CZ 4.03Å; M1-P232 HydrophobicContact CE-CG 4.19Å; M1-F236 HydrophobicContact CG-CD2 3.98Å; M1-F236 HydrophobicContact CG-CE2 4.09Å; M1-F236 HydrophobicContact SD-CB 4.48Å; M1-F236 HydrophobicContact SD-CD2 3.72Å; M1-F236 HydrophobicContact SD-CE2 4.43Å; M1-F236 HydrophobicContact SD-CG 4.42Å
2A92.9Very high92.9Very high86 Ų8656.6 Ų56.671%0.71134%0.335SS*.Hα-helixtrans-52.8-45.4178.700000113.4Y4 A5 L6A2-Y4 PolarHBondContact O-N 3.43Å; A2-A5 PolarHBondContact O-N 3.22Å; A2-L6 WeakPolarHBondContact O-CB 3.13Å; A2-L6 PolarHBondContact O-N 3.05Å
3L94.5Very high92.9Very high109 Ų10965.5 Ų65.557%0.57137%0.367SS*.Hα-helixtrans-61.6-40.8175.2-70.1173000113.1M1 L6 I7 L212M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.24Å; L3-L6 PolarHBondContact O-N 2.96Å; L3-I7 VanDerWaalsContact O-CG1 3.29Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.44Å; L3-L212 HydrophobicContact CB-CD1 4.25Å; L3-L212 HydrophobicContact CB-CD2 4.36Å; L3-L212 HydrophobicContact CD1-CD1 4.34Å
4Y94.2Very high92.9Very high5 Ų566.3 Ų66.32%0.0239%0.386CS..Hα-helixtrans-62.2-48.6177.1-178.1-91.3000110.7M1 A2 L6 I7 T8 L212 R215 Q216 P232 M235M1-Y4 WeakPolarHBondContact O-CB 3.38Å; M1-Y4 PolarHBondContact O-N 2.87Å; A2-Y4 PolarHBondContact O-N 3.43Å; Y4-L6 VanDerWaalsContact C-N 3.33Å; Y4-L6 PolarHBondContact O-N 3.25Å; Y4-I7 PolarHBondContact O-N 3.36Å; Y4-T8 PolarHBondContact O-N 2.98Å; Y4-T8 PolarHBondContact O-OG1 3.44Å; Y4-L212 HydrophobicContact CD2-CD2 4.39Å; Y4-R215 WeakPolarHBondContact CE2-O 3.3Å; Y4-R215 PolarHBondContact OH-O 3.29Å; Y4-Q216 HydrophobicContact CE2-CG 4.18Å; Y4-Q216 VanDerWaalsContact CE2-NE2 3.26Å; Y4-Q216 PolarHBondContact O-NE2 3.44Å; Y4-P232 HydrophobicContact CD1-CG 3.77Å; Y4-P232 HydrophobicContact CD2-CG 4.4Å; Y4-P232 HydrophobicContact CE1-CB 4.06Å; Y4-P232 HydrophobicContact CE1-CG 3.45Å; Y4-P232 VanDerWaalsContact CE1-CG 3.45Å; Y4-P232 HydrophobicContact CE2-CB 4.25Å; Y4-P232 HydrophobicContact CE2-CG 4.09Å; Y4-P232 HydrophobicContact CG-CG 4.23Å; Y4-M235 HydrophobicContact CD2-CE 3.19Å; Y4-M235 HydrophobicContact CE2-CE 3.17Å; Y4-M235 HydrophobicContact CG-CE 3.98Å
5A93Very high92.9Very high49 Ų4965.3 Ų65.341%0.40538%0.378SS..Hα-helixtrans-62.1-39.3178.200000112.2M1 A2 T8 C9M1-A5 PolarHBondContact O-N 2.93Å; A2-A5 PolarHBondContact O-N 3.22Å; A5-T8 PolarHBondContact O-N 3.12Å; A5-C9 WeakPolarHBondContact O-CB 3.33Å; A5-C9 PolarHBondContact O-N 3.33Å; A5-C9 PolarHBondContact O-SG 3.12Å
6L94.8Very high92.9Very high107 Ų10765 Ų6556%0.5638%0.381SS*.Hα-helixtrans-59.3-48.9174.5179.566.7000111.2A2 L3 Y4 T8 C9 V10A2-L6 WeakPolarHBondContact O-CB 3.13Å; A2-L6 PolarHBondContact O-N 3.05Å; L3-L6 PolarHBondContact O-N 2.96Å; Y4-L6 VanDerWaalsContact C-N 3.33Å; Y4-L6 PolarHBondContact O-N 3.25Å; L6-T8 VanDerWaalsContact C-N 3.33Å; L6-T8 PolarHBondContact O-N 3.45Å; L6-C9 PolarHBondContact O-N 3.21Å; L6-V10 WeakPolarHBondContact O-CG2 3.24Å; L6-V10 PolarHBondContact O-N 3.24Å
7I94.5Very high92.7Very high45 Ų4565.1 Ų65.123%0.23139%0.391CS..Hα-helixtrans-61.2-43.4177.3-65.7164.7000110.3L3 Y4 C9 V10 Y11 F23 L212 Q216L3-I7 VanDerWaalsContact O-CG1 3.29Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.44Å; Y4-I7 PolarHBondContact O-N 3.36Å; I7-C9 PolarHBondContact O-N 2.91Å; I7-V10 PolarHBondContact O-N 2.8Å; I7-Y11 WeakPolarHBondContact O-CB 3.42Å; I7-Y11 PolarHBondContact O-N 3.14Å; I7-F23 HydrophobicContact CG2-CE1 4.36Å; I7-F23 HydrophobicContact CG2-CZ 3.63Å; I7-L212 HydrophobicContact CD1-CB 4.03Å; I7-Q216 HydrophobicContact CG2-CG 4.01Å
8T92.7Very high92.6Very high14 Ų1469.8 Ų69.89%0.08641%0.408CS..Hα-helixtrans-60.4-43.9176.2-49.60000111.8Y4 A5 L6 Y11 R12 Q216Y4-T8 PolarHBondContact O-N 2.98Å; Y4-T8 PolarHBondContact O-OG1 3.44Å; A5-T8 PolarHBondContact O-N 3.12Å; L6-T8 VanDerWaalsContact C-N 3.33Å; L6-T8 PolarHBondContact O-N 3.45Å; T8-Y11 PolarHBondContact O-N 3.2Å; T8-R12 HydrophobicContact CG2-CG 4.44Å; T8-R12 WeakPolarHBondContact O-CB 3.48Å; T8-R12 WeakPolarHBondContact O-CG 3.43Å; T8-R12 PolarHBondContact O-N 3.38Å; T8-Q216 PolarHBondContact OG1-OE1 3.33Å
9C92.8Very high92.6Very high62 Ų6274.7 Ų74.742%0.41942%0.42SS..Hα-helixtrans-65.4-43.1178.1-73.80000111.9A5 L6 I7 R12 F13A5-C9 WeakPolarHBondContact O-CB 3.33Å; A5-C9 PolarHBondContact O-N 3.33Å; A5-C9 PolarHBondContact O-SG 3.12Å; L6-C9 PolarHBondContact O-N 3.21Å; I7-C9 PolarHBondContact O-N 2.91Å; C9-R12 PolarHBondContact O-N 3.01Å; C9-F13 HydrophobicContact CB-CD2 4.25Å; C9-F13 WeakPolarHBondContact O-CB 3.4Å; C9-F13 WeakPolarHBondContact O-CD2 3.35Å; C9-F13 PolarHBondContact O-N 3.18Å
10V94.4Very high92.6Very high65 Ų6572.8 Ų72.839%0.39441%0.407SS..Iπ-helixtrans-61.3-46.9175.2171.20000110.2L6 I7 R12 A14 L15L6-V10 WeakPolarHBondContact O-CG2 3.24Å; L6-V10 PolarHBondContact O-N 3.24Å; I7-V10 PolarHBondContact O-N 2.8Å; V10-R12 PolarHBondContact O-N 3.2Å; V10-A14 HydrophobicContact CG1-CB 4.28Å; V10-A14 WeakPolarHBondContact O-CA 3.27Å; V10-A14 WeakPolarHBondContact O-CB 3.48Å; V10-A14 PolarHBondContact O-N 3.27Å; V10-L15 HydrophobicContact CG1-CG 4.33Å; V10-L15 PolarHBondContact O-N 2.72Å
11Y93.3Very high92.5Very high0 Ų077.6 Ų77.60%042%0.419CS..Iπ-helixtrans-59.3-46.9178.3168.2-123000112.7I7 T8 L15 Q20 F23 E24 F217 I219I7-Y11 WeakPolarHBondContact O-CB 3.42Å; I7-Y11 PolarHBondContact O-N 3.14Å; T8-Y11 PolarHBondContact O-N 3.2Å; Y11-L15 HydrophobicContact CD2-CD1 4.28Å; Y11-Q20 HydrophobicContact CD2-CG 4.12Å; Y11-Q20 HydrophobicContact CE2-CB 4.01Å; Y11-Q20 HydrophobicContact CE2-CG 3.99Å; Y11-Q20 PolarHBondContact O-NE2 2.96Å; Y11-F23 HydrophobicContact CD2-CB 4.37Å; Y11-F23 AromaticContact CD2-CD1 3.31Å; Y11-F23 HydrophobicContact CD2-CD1 3.31Å; Y11-F23 AromaticContact CD2-CE1 3.94Å; Y11-F23 HydrophobicContact CD2-CE1 3.94Å; Y11-F23 HydrophobicContact CD2-CG 4.18Å; Y11-F23 AromaticContact CE2-CD1 3.87Å; Y11-F23 HydrophobicContact CE2-CD1 3.87Å; Y11-F23 AromaticContact CG-CD1 3.73Å; Y11-F23 HydrophobicContact CG-CD1 3.73Å; Y11-F23 AromaticContact CG-CE1 3.85Å; Y11-F23 HydrophobicContact CG-CE1 3.85Å; Y11-E24 HydrophobicContact CE2-CG 4.17Å; Y11-E24 WeakPolarHBondContact OH-CG 3.44Å; Y11-E24 PolarHBondContact OH-OE1 2.75Å; Y11-F217 WeakPolarHBondContact CE1-O 3.26Å; Y11-I219 HydrophobicContact CE1-CD1 3.91Å; Y11-I219 HydrophobicContact CE1-CG1 3.74Å; Y11-I219 HydrophobicContact CE2-CD1 4.4Å; Y11-I219 PolarHBondContact OH-N 3.45Å
12R89.5Confident92.6Very high45 Ų4576.1 Ų76.117%0.1742%0.415CS..Iπ-helixtrans-81.5-34.2-174.3-67.6-178-170.8-100.74.5114.5T8 C9 V10 I219 D228T8-R12 HydrophobicContact CG2-CG 4.44Å; T8-R12 WeakPolarHBondContact O-CB 3.48Å; T8-R12 WeakPolarHBondContact O-CG 3.43Å; T8-R12 PolarHBondContact O-N 3.38Å; C9-R12 PolarHBondContact O-N 3.01Å; V10-R12 PolarHBondContact O-N 3.2Å; R12-I219 HydrophobicContact CG-CD1 4.3Å; R12-D228 IonicContact CZ-OD1 2.98Å; R12-D228 IonicContact CZ-OD2 3.95Å; R12-D228 IonicContact NH1-OD2 3.92Å; R12-D228 PolarHBondContact NH1-OD2 3.16Å; R12-D228 IonicContact NH2-OD1 3.47Å; R12-D228 PolarHBondContact NH2-OD1 3.43Å; R12-D228 IonicContact NH2-OD2 2.9Å; R12-D228 PolarHBondContact NH2-OD2 3.27Å
13F92.4Very high92.7Very high172 Ų17273.7 Ų73.775%0.75439%0.389SS*.Iπ-helixtrans-115.4-24-169.5-56.9-65.5000114.7C9C9-F13 HydrophobicContact CB-CD2 4.25Å; C9-F13 WeakPolarHBondContact O-CB 3.4Å; C9-F13 WeakPolarHBondContact O-CD2 3.35Å; C9-F13 PolarHBondContact O-N 3.18Å
14A93.5Very high92.6Very high77 Ų7769 Ų6964%0.63636%0.364SS*.Iπ-helixtrans-105.1-32.2-174.800000113.8V10V10-A14 HydrophobicContact CG1-CB 4.28Å; V10-A14 WeakPolarHBondContact O-CA 3.27Å; V10-A14 WeakPolarHBondContact O-CB 3.48Å; V10-A14 PolarHBondContact O-N 3.27Å
15L92.3Very high92.5Very high51 Ų5172.7 Ų72.727%0.26738%0.384SS..SBendtrans-78.6139.4-179.4-65.8-179.3000112V10 Y11 W19 Q20 F23V10-L15 HydrophobicContact CG1-CG 4.33Å; V10-L15 PolarHBondContact O-N 2.72Å; Y11-L15 HydrophobicContact CD2-CD1 4.28Å; L15-W19 HydrophobicContact CB-CB 4.2Å; L15-W19 HydrophobicContact CD2-CB 4Å; L15-Q20 HydrophobicContact CB-CG 3.77Å; L15-Q20 PolarHBondContact O-NE2 2.81Å; L15-F23 HydrophobicContact CD1-CB 4.08Å; L15-F23 HydrophobicContact CD1-CG 4.23Å
16S92.5Very high92.5Very high61 Ų6174.2 Ų74.243%0.42738%0.384SS..  trans-72.8164.2170.474.20000111.3E18 W19 Q20S16-E18 PolarHBondContact O-N 2.86Å; S16-E18 VanDerWaalsContact O-N 3.14Å; S16-W19 PolarHBondContact O-N 2.95Å; S16-W19 VanDerWaalsContact O-N 3.11Å; S16-W19 VanDerWaalsContact OG-CD1 3.25Å; S16-Q20 WeakPolarHBondContact O-CG 3.31Å; S16-Q20 PolarHBondContact O-N 2.8Å
17A89.9Confident92.4Very high66 Ų6669.3 Ų69.355%0.54536%0.358SS..Hα-helixtrans-57.3-30.9-178.400000114R21A17-R21 WeakPolarHBondContact O-CG 3.41Å; A17-R21 PolarHBondContact O-N 3.31Å
18E91.1Very high92.2Very high150 Ų15070.2 Ų70.270%0.70136%0.363SS*.Hα-helixtrans-69.4-50.5175.1-173.7177.1-173.700111.2S16 Q20 R21 T22S16-E18 PolarHBondContact O-N 2.86Å; S16-E18 VanDerWaalsContact O-N 3.14Å; E18-Q20 VanDerWaalsContact C-N 3.31Å; E18-Q20 PolarHBondContact O-N 3.27Å; E18-R21 PolarHBondContact O-N 3.11Å; E18-T22 PolarHBondContact O-N 2.8Å; E18-T22 PolarHBondContact O-OG1 3.19Å
19W92.8Very high92.1Very high164 Ų16475.4 Ų75.462%0.62139%0.385SS*.Hα-helixtrans-66.8-30.7178.3-71.1113.7000113.4L15 S16 T22 F23L15-W19 HydrophobicContact CB-CB 4.2Å; L15-W19 HydrophobicContact CD2-CB 4Å; S16-W19 PolarHBondContact O-N 2.95Å; S16-W19 VanDerWaalsContact O-N 3.11Å; S16-W19 VanDerWaalsContact OG-CD1 3.25Å; W19-T22 PolarHBondContact O-N 3.49Å; W19-F23 WeakPolarHBondContact O-CB 3.03Å; W19-F23 PolarHBondContact O-N 3.24Å
20Q92.1Very high92.1Very high36 Ų3673.7 Ų73.717%0.16837%0.373CS..Hα-helixtrans-60.7-44.8173.2-77.4178.1-18.200111.2Y11 L15 S16 E18 T22 F23 E24Y11-Q20 HydrophobicContact CD2-CG 4.12Å; Y11-Q20 HydrophobicContact CE2-CB 4.01Å; Y11-Q20 HydrophobicContact CE2-CG 3.99Å; Y11-Q20 PolarHBondContact O-NE2 2.96Å; L15-Q20 HydrophobicContact CB-CG 3.77Å; L15-Q20 PolarHBondContact O-NE2 2.81Å; S16-Q20 WeakPolarHBondContact O-CG 3.31Å; S16-Q20 PolarHBondContact O-N 2.8Å; E18-Q20 VanDerWaalsContact C-N 3.31Å; E18-Q20 PolarHBondContact O-N 3.27Å; Q20-T22 PolarHBondContact O-N 3.36Å; Q20-F23 PolarHBondContact O-N 3.47Å; Q20-E24 VanDerWaalsContact O-CG 3.28Å; Q20-E24 WeakPolarHBondContact O-CG 3.09Å; Q20-E24 PolarHBondContact O-N 3.04Å
21R89.9Confident91.9Very high173 Ų17376.8 Ų76.865%0.65338%0.377SS*.Hα-helixtrans-62.6-43.3177.1-70.1174.9-177.3172.61.5112A17 E18 F23 E24 D25A17-R21 WeakPolarHBondContact O-CG 3.41Å; A17-R21 PolarHBondContact O-N 3.31Å; E18-R21 PolarHBondContact O-N 3.11Å; R21-F23 VanDerWaalsContact C-N 3.32Å; R21-F23 PolarHBondContact O-N 3.47Å; R21-E24 WeakPolarHBondContact O-CB 3.32Å; R21-E24 PolarHBondContact O-N 3.24Å; R21-D25 PolarHBondContact O-N 3.17Å; R21-D25 VanDerWaalsContact O-N 3.11Å
22T92.4Very high91.7Very high62 Ų6280.1 Ų80.138%0.3840%0.4SS..Hα-helixtrans-63.1-39.9174.8-52.50000111.6E18 W19 Q20 D25 I26E18-T22 PolarHBondContact O-N 2.8Å; E18-T22 PolarHBondContact O-OG1 3.19Å; W19-T22 PolarHBondContact O-N 3.49Å; Q20-T22 PolarHBondContact O-N 3.36Å; T22-D25 WeakPolarHBondContact O-CB 3.48Å; T22-D25 PolarHBondContact O-N 2.77Å; T22-I26 WeakPolarHBondContact O-CG1 3.41Å; T22-I26 PolarHBondContact O-N 3.14Å; T22-I26 VanDerWaalsContact O-N 3.12Å
23F93.6Very high91.5Very high35 Ų3583.1 Ų83.115%0.15442%0.415CS..Hα-helixtrans-65.3-39.4176.5-172.2-108.2000111.9I7 Y11 L15 W19 Q20 R21 D25 I26 I27 V213 Q216I7-F23 HydrophobicContact CG2-CE1 4.36Å; I7-F23 HydrophobicContact CG2-CZ 3.63Å; Y11-F23 HydrophobicContact CD2-CB 4.37Å; Y11-F23 AromaticContact CD2-CD1 3.31Å; Y11-F23 HydrophobicContact CD2-CD1 3.31Å; Y11-F23 AromaticContact CD2-CE1 3.94Å; Y11-F23 HydrophobicContact CD2-CE1 3.94Å; Y11-F23 HydrophobicContact CD2-CG 4.18Å; Y11-F23 AromaticContact CE2-CD1 3.87Å; Y11-F23 HydrophobicContact CE2-CD1 3.87Å; Y11-F23 AromaticContact CG-CD1 3.73Å; Y11-F23 HydrophobicContact CG-CD1 3.73Å; Y11-F23 AromaticContact CG-CE1 3.85Å; Y11-F23 HydrophobicContact CG-CE1 3.85Å; L15-F23 HydrophobicContact CD1-CB 4.08Å; L15-F23 HydrophobicContact CD1-CG 4.23Å; W19-F23 WeakPolarHBondContact O-CB 3.03Å; W19-F23 PolarHBondContact O-N 3.24Å; Q20-F23 PolarHBondContact O-N 3.47Å; R21-F23 VanDerWaalsContact C-N 3.32Å; R21-F23 PolarHBondContact O-N 3.47Å; F23-D25 VanDerWaalsContact C-N 3.31Å; F23-D25 PolarHBondContact O-N 3.35Å; F23-I26 CarbonylContact O-C 3.6Å; F23-I26 WeakPolarHBondContact O-CA 3.38Å; F23-I26 WeakPolarHBondContact O-CB 3.3Å; F23-I26 PolarHBondContact O-N 3.4Å; F23-I26 VanDerWaalsContact O-N 3.1Å; F23-I27 HydrophobicContact CD1-CD1 3.63Å; F23-I27 HydrophobicContact CD1-CG1 4.04Å; F23-I27 HydrophobicContact CE1-CD1 3.57Å; F23-I27 HydrophobicContact CE1-CG1 3.87Å; F23-I27 HydrophobicContact CZ-CD1 4.46Å; F23-I27 HydrophobicContact CZ-CG1 4.32Å; F23-I27 WeakPolarHBondContact O-CG1 3.39Å; F23-I27 PolarHBondContact O-N 3.01Å; F23-V213 HydrophobicContact CE2-CG1 4.3Å; F23-V213 HydrophobicContact CZ-CG1 4.36Å; F23-Q216 HydrophobicContact CE1-CG 4.41Å; F23-Q216 HydrophobicContact CZ-CG 4.47Å
24E92.5Very high91.3Very high11 Ų1175 Ų755%0.05138%0.379CS..Hα-helixtrans-59.6-39.7173-70.5168.4-171.300112.6Y11 Q20 R21 I26 I27 I28 I218 R223Y11-E24 HydrophobicContact CE2-CG 4.17Å; Y11-E24 WeakPolarHBondContact OH-CG 3.44Å; Y11-E24 PolarHBondContact OH-OE1 2.75Å; Q20-E24 VanDerWaalsContact O-CG 3.28Å; Q20-E24 WeakPolarHBondContact O-CG 3.09Å; Q20-E24 PolarHBondContact O-N 3.04Å; R21-E24 WeakPolarHBondContact O-CB 3.32Å; R21-E24 PolarHBondContact O-N 3.24Å; E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 PolarHBondContact O-N 3.43Å; E24-I27 WeakPolarHBondContact O-CB 3.36Å; E24-I27 PolarHBondContact O-N 3.19Å; E24-I28 WeakPolarHBondContact O-CG1 3.38Å; E24-I28 PolarHBondContact O-N 2.92Å; E24-I218 HydrophobicContact CB-CD1 4.4Å; E24-I218 HydrophobicContact CB-CG2 4.5Å; E24-I218 HydrophobicContact CG-CB 4.46Å; E24-I218 HydrophobicContact CG-CD1 4.46Å; E24-I218 HydrophobicContact CG-CG1 4.19Å; E24-I218 HydrophobicContact CG-CG2 3.69Å; E24-R223 IonicContact OE2-CZ 2.67Å; E24-R223 IonicContact OE2-NH1 3.39Å; E24-R223 PolarHBondContact OE2-NH1 3.12Å
25D91.6Very high90.7Very high82 Ų8274.7 Ų74.744%0.43938%0.384SS..Hα-helixtrans-62-41173.6-63.4-25.1000111.2R21 T22 F23 I28 F29 R223R21-D25 PolarHBondContact O-N 3.17Å; R21-D25 VanDerWaalsContact O-N 3.11Å; T22-D25 WeakPolarHBondContact O-CB 3.48Å; T22-D25 PolarHBondContact O-N 2.77Å; F23-D25 VanDerWaalsContact C-N 3.31Å; F23-D25 PolarHBondContact O-N 3.35Å; D25-I28 PolarHBondContact O-N 3.5Å; D25-F29 VanDerWaalsContact O-CB 3.24Å; D25-F29 WeakPolarHBondContact O-CB 3.45Å; D25-F29 PolarHBondContact O-N 3.34Å; D25-R223 IonicContact OD1-CZ 2.75Å; D25-R223 IonicContact OD1-NH1 3.58Å; D25-R223 PolarHBondContact OD1-NH1 3.21Å; D25-R223 IonicContact OD1-NH2 3.76Å; D25-R223 PolarHBondContact OD1-NH2 2.99Å
26I93.5Very high90.4Very high80 Ų8078.5 Ų78.541%0.4140%0.404SS..Hα-helixtrans-65-39.5175.2-63.9168.3000111.4T22 F23 E24 T30 V213T22-I26 WeakPolarHBondContact O-CG1 3.41Å; T22-I26 PolarHBondContact O-N 3.14Å; T22-I26 VanDerWaalsContact O-N 3.12Å; F23-I26 CarbonylContact O-C 3.6Å; F23-I26 WeakPolarHBondContact O-CA 3.38Å; F23-I26 WeakPolarHBondContact O-CB 3.3Å; F23-I26 PolarHBondContact O-N 3.4Å; F23-I26 VanDerWaalsContact O-N 3.1Å; E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 PolarHBondContact O-N 3.43Å; I26-T30 VanDerWaalsContact O-CB 3.27Å; I26-T30 WeakPolarHBondContact O-CB 3.28Å; I26-T30 PolarHBondContact O-N 3.03Å; I26-T30 PolarHBondContact O-OG1 3.03Å; I26-V213 HydrophobicContact CG2-CG1 3.89Å
27I92.7Very high90Very high4 Ų477.9 Ų77.92%0.02140%0.395CS..Hα-helixtrans-59.9-52.9175.3-66.4168.3000109.5F23 E24 F29 T30 R31 V213 Q216 I218F23-I27 HydrophobicContact CD1-CD1 3.63Å; F23-I27 HydrophobicContact CD1-CG1 4.04Å; F23-I27 HydrophobicContact CE1-CD1 3.57Å; F23-I27 HydrophobicContact CE1-CG1 3.87Å; F23-I27 HydrophobicContact CZ-CD1 4.46Å; F23-I27 HydrophobicContact CZ-CG1 4.32Å; F23-I27 WeakPolarHBondContact O-CG1 3.39Å; F23-I27 PolarHBondContact O-N 3.01Å; E24-I27 WeakPolarHBondContact O-CB 3.36Å; E24-I27 PolarHBondContact O-N 3.19Å; I27-F29 VanDerWaalsContact C-N 3.32Å; I27-F29 PolarHBondContact O-N 3.49Å; I27-T30 PolarHBondContact O-N 3.45Å; I27-R31 VanDerWaalsContact O-CB 3.3Å; I27-R31 WeakPolarHBondContact O-CB 3.5Å; I27-R31 PolarHBondContact O-N 3.44Å; I27-V213 HydrophobicContact CG1-CG1 4.47Å; I27-V213 WeakPolarHBondContact CG1-O 3.29Å; I27-Q216 HydrophobicContact CD1-CB 3.67Å; I27-Q216 HydrophobicContact CG1-CB 4.12Å; I27-I218 HydrophobicContact CB-CD1 4.47Å; I27-I218 HydrophobicContact CD1-CG1 3.96Å; I27-I218 HydrophobicContact CG2-CD1 4.16Å; I27-I218 HydrophobicContact CG2-CG1 4.26Å
28I89.8Confident90Very high65 Ų6578.4 Ų78.433%0.33339%0.392SS..Hα-helixtrans-61.4-43.3-178.2-66.4167.3000110.4E24 D25 R31 S32 I218 T224E24-I28 WeakPolarHBondContact O-CG1 3.38Å; E24-I28 PolarHBondContact O-N 2.92Å; D25-I28 PolarHBondContact O-N 3.5Å; I28-R31 PolarHBondContact O-N 3.18Å; I28-S32 PolarHBondContact O-N 3.3Å; I28-I218 HydrophobicContact CD1-CD1 4.25Å; I28-I218 HydrophobicContact CG1-CD1 3.97Å; I28-T224 HydrophobicContact CD1-CG2 4.31Å; I28-T224 HydrophobicContact CG1-CG2 4.14Å
29F91.8Very high90Very high123 Ų12371.3 Ų71.354%0.53936%0.36SS..Hα-helixtrans-61.6-48.8175.9179.7-95.2000111.8D25 I27 R31 S32 F33D25-F29 VanDerWaalsContact O-CB 3.24Å; D25-F29 WeakPolarHBondContact O-CB 3.45Å; D25-F29 PolarHBondContact O-N 3.34Å; I27-F29 VanDerWaalsContact C-N 3.32Å; I27-F29 PolarHBondContact O-N 3.49Å; F29-R31 VanDerWaalsContact C-N 3.31Å; F29-R31 PolarHBondContact O-N 3.35Å; F29-S32 PolarHBondContact O-N 3.02Å; F29-S32 PolarHBondContact O-OG 2.96Å; F29-F33 HydrophobicContact CD1-CD2 4.13Å; F29-F33 HydrophobicContact CD1-CE2 4.36Å; F29-F33 HydrophobicContact CD2-CD2 4.31Å; F29-F33 AromaticContact CD2-CE2 3.96Å; F29-F33 HydrophobicContact CD2-CE2 3.96Å; F29-F33 AromaticContact CE1-CD2 3.78Å; F29-F33 HydrophobicContact CE1-CD2 3.78Å; F29-F33 AromaticContact CE1-CE2 3.74Å; F29-F33 HydrophobicContact CE1-CE2 3.74Å; F29-F33 HydrophobicContact CE2-CD2 4.01Å; F29-F33 AromaticContact CE2-CE2 3.3Å; F29-F33 HydrophobicContact CE2-CE2 3.3Å; F29-F33 HydrophobicContact CE2-CZ 4.19Å; F29-F33 HydrophobicContact CG-CD2 4.39Å; F29-F33 HydrophobicContact CG-CE2 4.45Å; F29-F33 AromaticContact CZ-CD2 3.72Å; F29-F33 HydrophobicContact CZ-CD2 3.72Å; F29-F33 AromaticContact CZ-CE2 3.16Å; F29-F33 HydrophobicContact CZ-CE2 3.16Å; F29-F33 AromaticContact CZ-CZ 3.88Å; F29-F33 HydrophobicContact CZ-CZ 3.88Å; F29-F33 WeakPolarHBondContact O-CD2 3.44Å; F29-F33 PolarHBondContact O-N 3.09Å
30T93Very high90Very high26 Ų2666.8 Ų66.816%0.1635%0.353CS..Hα-helixtrans-67.3-35.7-178-57.70000111.3I26 I27 S32 F33 Q34 A210 V213I26-T30 VanDerWaalsContact O-CB 3.27Å; I26-T30 WeakPolarHBondContact O-CB 3.28Å; I26-T30 PolarHBondContact O-N 3.03Å; I26-T30 PolarHBondContact O-OG1 3.03Å; I27-T30 PolarHBondContact O-N 3.45Å; T30-S32 VanDerWaalsContact C-N 3.32Å; T30-S32 PolarHBondContact O-N 3.38Å; T30-F33 PolarHBondContact O-N 2.96Å; T30-Q34 WeakPolarHBondContact O-CB 3.27Å; T30-Q34 PolarHBondContact O-N 3.44Å; T30-A210 HydrophobicContact CG2-CB 3.76Å; T30-A210 VanDerWaalsContact CG2-O 3.26Å; T30-A210 WeakPolarHBondContact CG2-O 3.44Å; T30-V213 HydrophobicContact CG2-CB 4.36Å
31R90.2Very high90.1Very high129 Ų12971.5 Ų71.549%0.48737%0.373SS..Hα-helixtrans-61.4-38.1175.1-173.7174.1176.6170.1-1.8112.4I27 I28 F29I27-R31 VanDerWaalsContact O-CB 3.3Å; I27-R31 WeakPolarHBondContact O-CB 3.5Å; I27-R31 PolarHBondContact O-N 3.44Å; I28-R31 PolarHBondContact O-N 3.18Å; F29-R31 VanDerWaalsContact C-N 3.31Å; F29-R31 PolarHBondContact O-N 3.35Å
32S87.8Confident90.2Very high70 Ų7065.4 Ų65.449%0.4935%0.353SS..Hα-helixtrans-69.5-40.5178710000111.9I28 F29 T30I28-S32 PolarHBondContact O-N 3.3Å; F29-S32 PolarHBondContact O-N 3.02Å; F29-S32 PolarHBondContact O-OG 2.96Å; T30-S32 VanDerWaalsContact C-N 3.32Å; T30-S32 PolarHBondContact O-N 3.38Å
33F87.1Confident90.3Very high108 Ų10862.6 Ų62.647%0.47434%0.335SS..Hα-helixtrans-69.7-36.2176-84.5-87.8000113.3F29 T30 G35 L36F29-F33 HydrophobicContact CD1-CD2 4.13Å; F29-F33 HydrophobicContact CD1-CE2 4.36Å; F29-F33 HydrophobicContact CD2-CD2 4.31Å; F29-F33 AromaticContact CD2-CE2 3.96Å; F29-F33 HydrophobicContact CD2-CE2 3.96Å; F29-F33 AromaticContact CE1-CD2 3.78Å; F29-F33 HydrophobicContact CE1-CD2 3.78Å; F29-F33 AromaticContact CE1-CE2 3.74Å; F29-F33 HydrophobicContact CE1-CE2 3.74Å; F29-F33 HydrophobicContact CE2-CD2 4.01Å; F29-F33 AromaticContact CE2-CE2 3.3Å; F29-F33 HydrophobicContact CE2-CE2 3.3Å; F29-F33 HydrophobicContact CE2-CZ 4.19Å; F29-F33 HydrophobicContact CG-CD2 4.39Å; F29-F33 HydrophobicContact CG-CE2 4.45Å; F29-F33 AromaticContact CZ-CD2 3.72Å; F29-F33 HydrophobicContact CZ-CD2 3.72Å; F29-F33 AromaticContact CZ-CE2 3.16Å; F29-F33 HydrophobicContact CZ-CE2 3.16Å; F29-F33 AromaticContact CZ-CZ 3.88Å; F29-F33 HydrophobicContact CZ-CZ 3.88Å; F29-F33 WeakPolarHBondContact O-CD2 3.44Å; F29-F33 PolarHBondContact O-N 3.09Å; T30-F33 PolarHBondContact O-N 2.96Å; F33-G35 PolarHBondContact O-N 3.4Å; F33-L36 HydrophobicContact CD1-CD1 4.24Å; F33-L36 WeakPolarHBondContact O-CB 3.2Å; F33-L36 PolarHBondContact O-N 2.91Å
34Q87.5Confident90.4Very high3 Ų362.7 Ų62.71%0.01435%0.346CS..Hα-helixtrans-58.9-37.6179.3-173.3-170-15.500111.9T30 L36 I37 Y207 A210 S211T30-Q34 WeakPolarHBondContact O-CB 3.27Å; T30-Q34 PolarHBondContact O-N 3.44Å; Q34-L36 PolarHBondContact O-N 2.81Å; Q34-I37 PolarHBondContact O-N 2.8Å; Q34-Y207 HydrophobicContact CG-CD2 3.79Å; Q34-Y207 HydrophobicContact CG-CE2 3.62Å; Q34-Y207 VanDerWaalsContact NE2-CZ 3.27Å; Q34-Y207 PolarHBondContact NE2-OH 3.49Å; Q34-A210 HydrophobicContact CB-CB 4.42Å; Q34-A210 HydrophobicContact CG-CB 4.46Å; Q34-S211 PolarHBondContact NE2-OG 2.96Å
35G79.9Confident90.5Very high70 Ų7067.5 Ų67.572%0.72237%0.367SS*.THydrogen-bonded Turntrans-66.5-14.9178.100000114.5F33F33-G35 PolarHBondContact O-N 3.4Å
36L85.7Confident90.8Very high131 Ų13163.6 Ų63.669%0.68635%0.346SS*.THydrogen-bonded Turntrans-87.1-13.9179.4-62.2170.3000113.1F33 Q34 P38F33-L36 HydrophobicContact CD1-CD1 4.24Å; F33-L36 WeakPolarHBondContact O-CB 3.2Å; F33-L36 PolarHBondContact O-N 2.91Å; Q34-L36 PolarHBondContact O-N 2.81Å; L36-P38 VanDerWaalsContact O-CD 3.28Å; L36-P38 WeakPolarHBondContact O-CD 3.42Å
37I85Confident90.8Very high48 Ų4861.4 Ų61.425%0.24634%0.335CS..  trans-85113-175.3-50.8176.1000109.3Q34 V39 I206 Y207Q34-I37 PolarHBondContact O-N 2.8Å; I37-V39 HydrophobicContact CB-CG2 4.17Å; I37-V39 HydrophobicContact CG2-CG2 3.47Å; I37-V39 VanDerWaalsContact CG2-CG2 3.47Å; I37-V39 PolarHBondContact O-N 2.85Å; I37-I206 HydrophobicContact CD1-CG2 4.11Å; I37-Y207 HydrophobicContact CB-CD2 4.38Å
38P90.3Very high91Very high76 Ų7666 Ų6649%0.49436%0.359SS..  trans-83.357-176.436.7-36.7000111.5L36 S40 F41 I42L36-P38 VanDerWaalsContact O-CD 3.28Å; L36-P38 WeakPolarHBondContact O-CD 3.42Å; P38-S40 VanDerWaalsContact C-N 3.31Å; P38-S40 PolarHBondContact O-N 3.26Å; P38-F41 HydrophobicContact CB-CB 4.31Å; P38-F41 PolarHBondContact O-N 3Å; P38-I42 HydrophobicContact CG-CD1 4.09Å; P38-I42 HydrophobicContact CG-CG1 4.49Å; P38-I42 PolarHBondContact O-N 3.41Å
39V91.6Very high91.2Very high2 Ų266.3 Ų66.31%0.01236%0.362CS..Hα-helixtrans-57.4-44.1-174.1-178.60000111.6I37 F41 I42 L43 V204 Y207 Y242I37-V39 HydrophobicContact CB-CG2 4.17Å; I37-V39 HydrophobicContact CG2-CG2 3.47Å; I37-V39 VanDerWaalsContact CG2-CG2 3.47Å; I37-V39 PolarHBondContact O-N 2.85Å; V39-F41 VanDerWaalsContact C-N 3.27Å; V39-F41 PolarHBondContact O-N 3.38Å; V39-I42 PolarHBondContact O-N 3.03Å; V39-L43 WeakPolarHBondContact O-CB 3.45Å; V39-L43 PolarHBondContact O-N 3.26Å; V39-V204 HydrophobicContact CG1-CG2 3.74Å; V39-Y207 HydrophobicContact CG2-CD1 4.45Å; V39-Y207 HydrophobicContact CG2-CD2 3.61Å; V39-Y207 HydrophobicContact CG2-CE2 4.37Å; V39-Y207 HydrophobicContact CG2-CG 3.64Å; V39-Y242 HydrophobicContact CG1-CD1 3.98Å; V39-Y242 HydrophobicContact CG1-CE1 4.28Å; V39-Y242 HydrophobicContact CG1-CG 4.4Å
40S92.3Very high91.4Very high68 Ų6860.5 Ų60.548%0.47634%0.337SS..Hα-helixtrans-59.7-39-178.2-24.30000112.1P38 G44 Y242P38-S40 VanDerWaalsContact C-N 3.31Å; P38-S40 PolarHBondContact O-N 3.26Å; S40-G44 PolarHBondContact O-N 2.95Å; S40-Y242 WeakPolarHBondContact OG-CE1 3.43Å; S40-Y242 PolarHBondContact OG-OH 3.02Å
41F93.5Very high91.4Very high136 Ų13664 Ų6460%0.59635%0.35SS*.Hα-helixtrans-67.5-56.3178.1-176.8-87.1000110.2P38 V39 L43 G44 F45P38-F41 HydrophobicContact CB-CB 4.31Å; P38-F41 PolarHBondContact O-N 3Å; V39-F41 VanDerWaalsContact C-N 3.27Å; V39-F41 PolarHBondContact O-N 3.38Å; F41-L43 VanDerWaalsContact C-N 3.29Å; F41-L43 PolarHBondContact O-N 3.49Å; F41-G44 PolarHBondContact O-N 2.97Å; F41-F45 AromaticContact CD1-CD2 3.73Å; F41-F45 HydrophobicContact CD1-CD2 3.73Å; F41-F45 AromaticContact CD1-CE2 3.88Å; F41-F45 HydrophobicContact CD1-CE2 3.88Å; F41-F45 HydrophobicContact CD2-CD2 4.18Å; F41-F45 AromaticContact CD2-CE2 3.58Å; F41-F45 HydrophobicContact CD2-CE2 3.58Å; F41-F45 AromaticContact CE1-CD2 3.55Å; F41-F45 HydrophobicContact CE1-CD2 3.55Å; F41-F45 AromaticContact CE1-CE2 3.48Å; F41-F45 HydrophobicContact CE1-CE2 3.48Å; F41-F45 VanDerWaalsContact CE1-CE2 3.48Å; F41-F45 HydrophobicContact CE1-CZ 4.46Å; F41-F45 HydrophobicContact CE2-CD2 4.07Å; F41-F45 AromaticContact CE2-CE2 3.2Å; F41-F45 HydrophobicContact CE2-CE2 3.2Å; F41-F45 AromaticContact CE2-CZ 3.95Å; F41-F45 HydrophobicContact CE2-CZ 3.95Å; F41-F45 HydrophobicContact CG-CD2 4.04Å; F41-F45 AromaticContact CG-CE2 3.91Å; F41-F45 HydrophobicContact CG-CE2 3.91Å; F41-F45 AromaticContact CZ-CD2 3.73Å; F41-F45 HydrophobicContact CZ-CD2 3.73Å; F41-F45 AromaticContact CZ-CE2 3.12Å; F41-F45 HydrophobicContact CZ-CE2 3.12Å; F41-F45 AromaticContact CZ-CZ 3.83Å; F41-F45 HydrophobicContact CZ-CZ 3.83Å; F41-F45 VanDerWaalsContact O-CD2 3.25Å; F41-F45 WeakPolarHBondContact O-CD2 3.39Å; F41-F45 PolarHBondContact O-N 3.17Å; F41-F45 VanDerWaalsContact O-N 3.07Å
42I93.1Very high91.6Very high45 Ų4561.6 Ų61.623%0.23135%0.35CS..Hα-helixtrans-58-44.5-177.5-65.8169.4000111P38 V39 Y46 V200 A203P38-I42 HydrophobicContact CG-CD1 4.09Å; P38-I42 HydrophobicContact CG-CG1 4.49Å; P38-I42 PolarHBondContact O-N 3.41Å; V39-I42 PolarHBondContact O-N 3.03Å; I42-Y46 WeakPolarHBondContact O-CB 3.37Å; I42-Y46 PolarHBondContact O-N 3.16Å; I42-V200 HydrophobicContact CG2-CB 4.3Å; I42-V200 HydrophobicContact CG2-CG1 4.47Å; I42-V200 HydrophobicContact CG2-CG2 3.67Å; I42-A203 HydrophobicContact CD1-CB 4.49Å
43L94.9Very high91.9Very high2 Ų260.6 Ų60.61%0.0134%0.335CS..Hα-helixtrans-68.2-41.5179.2-173.762.1000111.9V39 F41 Y46 I47 V200 V204 Y242 L245 L246V39-L43 WeakPolarHBondContact O-CB 3.45Å; V39-L43 PolarHBondContact O-N 3.26Å; F41-L43 VanDerWaalsContact C-N 3.29Å; F41-L43 PolarHBondContact O-N 3.49Å; L43-Y46 PolarHBondContact O-N 2.94Å; L43-I47 HydrophobicContact CD1-CD1 4.02Å; L43-I47 HydrophobicContact CD1-CG1 4.35Å; L43-I47 HydrophobicContact CD2-CD1 4.44Å; L43-I47 HydrophobicContact CG-CD1 3.74Å; L43-I47 HydrophobicContact CG-CG1 4.47Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3Å; L43-V200 HydrophobicContact CD1-CG1 3.71Å; L43-V204 HydrophobicContact CD1-CG2 4.33Å; L43-V204 HydrophobicContact CD2-CG2 4.4Å; L43-Y242 HydrophobicContact CD2-CD1 3.95Å; L43-L245 HydrophobicContact CD2-CB 3.7Å; L43-L245 HydrophobicContact CD2-CD1 4.31Å; L43-L245 HydrophobicContact CG-CB 4.39Å; L43-L246 HydrophobicContact CD1-CB 4.23Å; L43-L246 HydrophobicContact CD1-CD1 4.06Å
44G95Very high92.2Very high37 Ų3757 Ų5738%0.38132%0.319SS..Hα-helixtrans-60.1-49.2177.900000112.9S40 F41 Y46 I47 D48S40-G44 PolarHBondContact O-N 2.95Å; F41-G44 PolarHBondContact O-N 2.97Å; G44-Y46 VanDerWaalsContact C-N 3.29Å; G44-Y46 PolarHBondContact O-N 3.11Å; G44-I47 PolarHBondContact O-N 2.93Å; G44-D48 WeakPolarHBondContact O-CB 3.35Å; G44-D48 PolarHBondContact O-N 2.64Å
45F95.1Very high92.5Very high112 Ų11262.9 Ų62.949%0.49134%0.342SS..Hα-helixtrans-62.9-36.1175.9-80.1-75.9000112.8F41 N49F41-F45 AromaticContact CD1-CD2 3.73Å; F41-F45 HydrophobicContact CD1-CD2 3.73Å; F41-F45 AromaticContact CD1-CE2 3.88Å; F41-F45 HydrophobicContact CD1-CE2 3.88Å; F41-F45 HydrophobicContact CD2-CD2 4.18Å; F41-F45 AromaticContact CD2-CE2 3.58Å; F41-F45 HydrophobicContact CD2-CE2 3.58Å; F41-F45 AromaticContact CE1-CD2 3.55Å; F41-F45 HydrophobicContact CE1-CD2 3.55Å; F41-F45 AromaticContact CE1-CE2 3.48Å; F41-F45 HydrophobicContact CE1-CE2 3.48Å; F41-F45 VanDerWaalsContact CE1-CE2 3.48Å; F41-F45 HydrophobicContact CE1-CZ 4.46Å; F41-F45 HydrophobicContact CE2-CD2 4.07Å; F41-F45 AromaticContact CE2-CE2 3.2Å; F41-F45 HydrophobicContact CE2-CE2 3.2Å; F41-F45 AromaticContact CE2-CZ 3.95Å; F41-F45 HydrophobicContact CE2-CZ 3.95Å; F41-F45 HydrophobicContact CG-CD2 4.04Å; F41-F45 AromaticContact CG-CE2 3.91Å; F41-F45 HydrophobicContact CG-CE2 3.91Å; F41-F45 AromaticContact CZ-CD2 3.73Å; F41-F45 HydrophobicContact CZ-CD2 3.73Å; F41-F45 AromaticContact CZ-CE2 3.12Å; F41-F45 HydrophobicContact CZ-CE2 3.12Å; F41-F45 AromaticContact CZ-CZ 3.83Å; F41-F45 HydrophobicContact CZ-CZ 3.83Å; F41-F45 VanDerWaalsContact O-CD2 3.25Å; F41-F45 WeakPolarHBondContact O-CD2 3.39Å; F41-F45 PolarHBondContact O-N 3.17Å; F41-F45 VanDerWaalsContact O-N 3.07Å; F45-N49 WeakPolarHBondContact O-CB 3.15Å; F45-N49 PolarHBondContact O-N 3.44Å; F45-N49 VanDerWaalsContact O-N 3.16Å
46Y96.1Very high93.1Very high1 Ų167 Ų670%0.00434%0.335CS..Hα-helixtrans-66.1-47.4177.9178.3-109.8000111.6I42 L43 G44 D48 N49 V50 I192 Y196 T197 V200 A249 V253I42-Y46 WeakPolarHBondContact O-CB 3.37Å; I42-Y46 PolarHBondContact O-N 3.16Å; L43-Y46 PolarHBondContact O-N 2.94Å; G44-Y46 VanDerWaalsContact C-N 3.29Å; G44-Y46 PolarHBondContact O-N 3.11Å; Y46-D48 PolarHBondContact O-N 2.82Å; Y46-N49 PolarHBondContact O-N 3.47Å; Y46-V50 HydrophobicContact CD1-CG2 4.28Å; Y46-V50 HydrophobicContact CD2-CG2 4.38Å; Y46-V50 HydrophobicContact CE1-CG2 3.94Å; Y46-V50 HydrophobicContact CE2-CG2 4.03Å; Y46-V50 HydrophobicContact CG-CG2 4.49Å; Y46-V50 VanDerWaalsContact O-CG2 3.28Å; Y46-V50 WeakPolarHBondContact O-CG2 3.31Å; Y46-V50 PolarHBondContact O-N 3.32Å; Y46-I192 HydrophobicContact CE2-CG2 4.15Å; Y46-Y196 WeakPolarHBondContact CA-OH 3.17Å; Y46-Y196 AromaticContact CD2-CD1 3.9Å; Y46-Y196 HydrophobicContact CD2-CD1 3.9Å; Y46-Y196 HydrophobicContact CD2-CD2 4.29Å; Y46-Y196 AromaticContact CD2-CE1 3.84Å; Y46-Y196 HydrophobicContact CD2-CE1 3.84Å; Y46-Y196 HydrophobicContact CD2-CE2 4.22Å; Y46-Y196 HydrophobicContact CD2-CG 4.14Å; Y46-Y196 HydrophobicContact CE2-CD1 4.39Å; Y46-Y196 PolarHBondContact N-OH 2.9Å; Y46-T197 WeakPolarHBondContact OH-CB 3.47Å; Y46-T197 VanDerWaalsContact OH-CG2 3.32Å; Y46-T197 WeakPolarHBondContact OH-CG2 3.32Å; Y46-T197 PolarHBondContact OH-OG1 3.46Å; Y46-V200 HydrophobicContact CD1-CB 4.3Å; Y46-V200 HydrophobicContact CD1-CG1 3.78Å; Y46-V200 HydrophobicContact CD1-CG2 4.32Å; Y46-V200 HydrophobicContact CD2-CB 4.47Å; Y46-V200 HydrophobicContact CD2-CG2 3.82Å; Y46-V200 HydrophobicContact CE1-CG1 4.43Å; Y46-V200 HydrophobicContact CG-CB 4.14Å; Y46-V200 HydrophobicContact CG-CG1 3.94Å; Y46-V200 HydrophobicContact CG-CG2 3.66Å; Y46-A249 HydrophobicContact CD1-CB 3.82Å; Y46-A249 HydrophobicContact CE1-CB 3.48Å; Y46-A249 VanDerWaalsContact CE1-CB 3.48Å; Y46-V253 WeakPolarHBondContact OH-CG2 3.25Å
47I95.3Very high93.4Very high33 Ų3361.3 Ų61.317%0.16931%0.305CS..Hα-helixtrans-61.7-44.9178.2-70.2164.1000111L43 G44 N49 V50 F51 L245 A249L43-I47 HydrophobicContact CD1-CD1 4.02Å; L43-I47 HydrophobicContact CD1-CG1 4.35Å; L43-I47 HydrophobicContact CD2-CD1 4.44Å; L43-I47 HydrophobicContact CG-CD1 3.74Å; L43-I47 HydrophobicContact CG-CG1 4.47Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3Å; G44-I47 PolarHBondContact O-N 2.93Å; I47-N49 VanDerWaalsContact C-N 3.29Å; I47-N49 PolarHBondContact O-N 3.4Å; I47-V50 PolarHBondContact O-N 2.91Å; I47-F51 VanDerWaalsContact O-CB 3.31Å; I47-F51 WeakPolarHBondContact O-CB 3.33Å; I47-F51 PolarHBondContact O-N 2.84Å; I47-L245 HydrophobicContact CD1-CB 3.7Å; I47-L245 HydrophobicContact CD1-CD2 4.02Å; I47-L245 HydrophobicContact CD1-CG 4.32Å; I47-L245 WeakPolarHBondContact CD1-O 3.4Å; I47-A249 HydrophobicContact CG1-CB 3.97Å
48D95.6Very high93.7Very high100 Ų10062.7 Ų62.754%0.53531%0.31SS..Hα-helixtrans-58.1-42.1178-176.562.6000112G44 Y46 T52G44-D48 WeakPolarHBondContact O-CB 3.35Å; G44-D48 PolarHBondContact O-N 2.64Å; Y46-D48 PolarHBondContact O-N 2.82Å; D48-T52 VanDerWaalsContact O-CB 3.3Å; D48-T52 WeakPolarHBondContact O-CB 3.13Å; D48-T52 PolarHBondContact O-N 3.07Å; D48-T52 PolarHBondContact O-OG1 3.38Å
49N94.7Very high93.9Very high72 Ų7264.9 Ų64.939%0.38532%0.315SS..Hα-helixtrans-67.1-46176.3-169.1-5.3000112.1F45 Y46 I47 F51 T52 R53F45-N49 WeakPolarHBondContact O-CB 3.15Å; F45-N49 PolarHBondContact O-N 3.44Å; F45-N49 VanDerWaalsContact O-N 3.16Å; Y46-N49 PolarHBondContact O-N 3.47Å; I47-N49 VanDerWaalsContact C-N 3.29Å; I47-N49 PolarHBondContact O-N 3.4Å; N49-F51 PolarHBondContact O-N 3.08Å; N49-T52 PolarHBondContact O-N 3.33Å; N49-R53 WeakPolarHBondContact O-CB 3.25Å; N49-R53 PolarHBondContact O-N 3.06Å
50V94.9Very high93.9Very high1 Ų165.8 Ų65.81%0.00632%0.32CS..Hα-helixtrans-58-48.5175.7172.10000110.6Y46 I47 R53 F54 I192 A249 L252 V253Y46-V50 HydrophobicContact CD1-CG2 4.28Å; Y46-V50 HydrophobicContact CD2-CG2 4.38Å; Y46-V50 HydrophobicContact CE1-CG2 3.94Å; Y46-V50 HydrophobicContact CE2-CG2 4.03Å; Y46-V50 HydrophobicContact CG-CG2 4.49Å; Y46-V50 VanDerWaalsContact O-CG2 3.28Å; Y46-V50 WeakPolarHBondContact O-CG2 3.31Å; Y46-V50 PolarHBondContact O-N 3.32Å; I47-V50 PolarHBondContact O-N 2.91Å; V50-R53 PolarHBondContact O-N 3.37Å; V50-F54 WeakPolarHBondContact O-CB 3.45Å; V50-F54 PolarHBondContact O-N 3.27Å; V50-I192 HydrophobicContact CB-CD1 4.22Å; V50-I192 HydrophobicContact CG2-CD1 3.45Å; V50-I192 VanDerWaalsContact CG2-CD1 3.45Å; V50-A249 HydrophobicContact CG2-CB 4.39Å; V50-L252 HydrophobicContact CG1-CB 3.62Å; V50-V253 HydrophobicContact CG1-CG2 4.04Å; V50-V253 HydrophobicContact CG2-CG2 3.85Å
51F94.3Very high94Very high101 Ų10162.7 Ų62.744%0.44330%0.299SS..Hα-helixtrans-64.3-43.9-179.4-175.4-97.7000112.1I47 N49 R53 F54 W55 L252I47-F51 VanDerWaalsContact O-CB 3.31Å; I47-F51 WeakPolarHBondContact O-CB 3.33Å; I47-F51 PolarHBondContact O-N 2.84Å; N49-F51 PolarHBondContact O-N 3.08Å; F51-R53 VanDerWaalsContact C-N 3.28Å; F51-R53 PolarHBondContact O-N 3.07Å; F51-F54 HydrophobicContact CD2-CD1 4.49Å; F51-F54 HydrophobicContact CE2-CD1 4.45Å; F51-F54 WeakPolarHBondContact O-CB 3.5Å; F51-F54 PolarHBondContact O-N 2.9Å; F51-W55 WeakPolarHBondContact O-CB 3.13Å; F51-W55 PolarHBondContact O-N 3.3Å; F51-L252 HydrophobicContact CD2-CD1 4.22Å
52T94.4Very high94Very high78 Ų7856.7 Ų56.748%0.47927%0.273SS..Hα-helixtrans-58.6-41.8175.6-64.40000111.4D48 N49 R56D48-T52 VanDerWaalsContact O-CB 3.3Å; D48-T52 WeakPolarHBondContact O-CB 3.13Å; D48-T52 PolarHBondContact O-N 3.07Å; D48-T52 PolarHBondContact O-OG1 3.38Å; N49-T52 PolarHBondContact O-N 3.33Å; T52-R56 VanDerWaalsContact O-CB 3.27Å; T52-R56 WeakPolarHBondContact O-CB 3.46Å; T52-R56 PolarHBondContact O-N 3.26Å
53R93.5Very high94Very high48 Ų4860.3 Ų60.318%0.18128%0.284CS..Hα-helixtrans-68-45177179.5-176.8161.685.6-3.4112.1N49 V50 F51 R56 L57 I187 V190N49-R53 WeakPolarHBondContact O-CB 3.25Å; N49-R53 PolarHBondContact O-N 3.06Å; V50-R53 PolarHBondContact O-N 3.37Å; F51-R53 VanDerWaalsContact C-N 3.28Å; F51-R53 PolarHBondContact O-N 3.07Å; R53-R56 PolarHBondContact O-N 3.46Å; R53-L57 PolarHBondContact O-N 2.83Å; R53-I187 HydrophobicContact CG-CG2 4.35Å; R53-I187 PolarHBondContact NH1-O 3.25Å; R53-I187 PolarHBondContact NH2-O 3Å; R53-V190 PolarHBondContact NH1-O 2.87Å
54F93Very high94Very high32 Ų3260.3 Ų60.314%0.1428%0.284CS..Hα-helixtrans-54.4-53.6174.2164.8-99.3000111V50 F51 R56 L57 F58 L252 P255 I263V50-F54 WeakPolarHBondContact O-CB 3.45Å; V50-F54 PolarHBondContact O-N 3.27Å; F51-F54 HydrophobicContact CD2-CD1 4.49Å; F51-F54 HydrophobicContact CE2-CD1 4.45Å; F51-F54 WeakPolarHBondContact O-CB 3.5Å; F51-F54 PolarHBondContact O-N 2.9Å; F54-R56 VanDerWaalsContact C-N 3.3Å; F54-R56 PolarHBondContact O-N 2.92Å; F54-L57 WeakPolarHBondContact O-CB 3.49Å; F54-L57 PolarHBondContact O-N 2.89Å; F54-L57 VanDerWaalsContact O-N 3.14Å; F54-F58 PolarHBondContact O-N 3.18Å; F54-L252 HydrophobicContact CD1-CD2 4.35Å; F54-L252 HydrophobicContact CD2-CD2 3.91Å; F54-L252 HydrophobicContact CE1-CD2 4.46Å; F54-L252 HydrophobicContact CE2-CD2 4.02Å; F54-L252 HydrophobicContact CG-CD2 4.08Å; F54-L252 HydrophobicContact CZ-CD2 4.3Å; F54-P255 HydrophobicContact CD2-CB 3.54Å; F54-P255 HydrophobicContact CD2-CG 3.87Å; F54-P255 HydrophobicContact CE2-CB 3.69Å; F54-P255 HydrophobicContact CE2-CG 4.42Å; F54-I263 HydrophobicContact CE2-CG1 4.36Å
55W93.4Very high94Very high128 Ų12861.6 Ų61.649%0.48528%0.282SS..Hα-helixtrans-62.3-39.8-179.1-168.7-103.7000111.7F51 L57 F58 M59F51-W55 WeakPolarHBondContact O-CB 3.13Å; F51-W55 PolarHBondContact O-N 3.3Å; W55-L57 PolarHBondContact O-N 2.93Å; W55-F58 HydrophobicContact CZ3-CD1 4.45Å; W55-F58 PolarHBondContact O-N 2.66Å; W55-M59 HydrophobicContact CG-CG 4.48Å; W55-M59 HydrophobicContact CZ2-SD 4.26Å; W55-M59 WeakPolarHBondContact O-CB 3.33Å; W55-M59 VanDerWaalsContact O-CG 3.23Å; W55-M59 WeakPolarHBondContact O-CG 3.42Å; W55-M59 PolarHBondContact O-N 2.93Å
56R92.9Very high93.9Very high157 Ų15763 Ų6359%0.59229%0.288SS*.Hα-helixtrans-60.7-45.2175-174.5175.5-179.61670111.6T52 R53 F54 M59 T60 I187T52-R56 VanDerWaalsContact O-CB 3.27Å; T52-R56 WeakPolarHBondContact O-CB 3.46Å; T52-R56 PolarHBondContact O-N 3.26Å; R53-R56 PolarHBondContact O-N 3.46Å; F54-R56 VanDerWaalsContact C-N 3.3Å; F54-R56 PolarHBondContact O-N 2.92Å; R56-M59 PolarHBondContact O-N 3.06Å; R56-T60 VanDerWaalsContact O-CB 3.26Å; R56-T60 WeakPolarHBondContact O-CB 3.45Å; R56-T60 PolarHBondContact O-N 3.3Å; R56-T60 PolarHBondContact O-OG1 2.71Å; R56-I187 HydrophobicContact CG-CD1 4.1Å
57L92.3Very high93.9Very high10 Ų1063.1 Ų63.15%0.05229%0.288CS..Hα-helixtrans-61.4-46.1177.6-177.360.6000111.6R53 F54 W55 M59 T60 I61 M184 I187 P255 M256R53-L57 PolarHBondContact O-N 2.83Å; F54-L57 WeakPolarHBondContact O-CB 3.49Å; F54-L57 PolarHBondContact O-N 2.89Å; F54-L57 VanDerWaalsContact O-N 3.14Å; W55-L57 PolarHBondContact O-N 2.93Å; L57-M59 VanDerWaalsContact C-N 3.33Å; L57-M59 PolarHBondContact O-N 3.07Å; L57-T60 PolarHBondContact O-N 3.3Å; L57-I61 PolarHBondContact O-N 3.3Å; L57-M184 HydrophobicContact CD1-CG 4.39Å; L57-I187 HydrophobicContact CB-CD1 4.16Å; L57-I187 HydrophobicContact CB-CG2 4.21Å; L57-I187 HydrophobicContact CD1-CB 4.17Å; L57-I187 HydrophobicContact CD1-CD1 4Å; L57-I187 HydrophobicContact CD1-CG2 3.97Å; L57-I187 HydrophobicContact CD2-CG2 4.38Å; L57-I187 HydrophobicContact CG-CG2 4.42Å; L57-P255 HydrophobicContact CD2-CG 3.48Å; L57-P255 VanDerWaalsContact CD2-CG 3.48Å; L57-M256 HydrophobicContact CD1-CE 3.81Å; L57-M256 HydrophobicContact CD2-CE 3.59Å; L57-M256 HydrophobicContact CD2-CG 4.12Å; L57-M256 HydrophobicContact CG-CE 3.75Å
58F91.9Very high93.8Very high77 Ų7761.6 Ų61.634%0.33828%0.28SS..Hα-helixtrans-57.1-45.5176.7178.4-101.6000112.1F54 W55 T60 I61 I263F54-F58 PolarHBondContact O-N 3.18Å; W55-F58 HydrophobicContact CZ3-CD1 4.45Å; W55-F58 PolarHBondContact O-N 2.66Å; F58-T60 VanDerWaalsContact C-N 3.29Å; F58-T60 PolarHBondContact O-N 2.92Å; F58-I61 PolarHBondContact O-N 3.43Å; F58-I263 HydrophobicContact CB-CD1 4.22Å; F58-I263 HydrophobicContact CD2-CD1 4.23Å; F58-I263 HydrophobicContact CD2-CG1 4.35Å
59M93.4Very high93.7Very high123 Ų12361.6 Ų61.661%0.60628%0.279SS*.Hα-helixtrans-73-20.3179.8-65-66.1-85.200113.7W55 R56 L57W55-M59 HydrophobicContact CG-CG 4.48Å; W55-M59 HydrophobicContact CZ2-SD 4.26Å; W55-M59 WeakPolarHBondContact O-CB 3.33Å; W55-M59 VanDerWaalsContact O-CG 3.23Å; W55-M59 WeakPolarHBondContact O-CG 3.42Å; W55-M59 PolarHBondContact O-N 2.93Å; R56-M59 PolarHBondContact O-N 3.06Å; L57-M59 VanDerWaalsContact C-N 3.33Å; L57-M59 PolarHBondContact O-N 3.07Å
60T93.2Very high93.7Very high20 Ų2058.8 Ų58.812%0.12327%0.266CS..Hα-helixtrans-81-23.9179.3-78.80000112.9R56 L57 F58 P62 G180 D183 M184 I187R56-T60 VanDerWaalsContact O-CB 3.26Å; R56-T60 WeakPolarHBondContact O-CB 3.45Å; R56-T60 PolarHBondContact O-N 3.3Å; R56-T60 PolarHBondContact O-OG1 2.71Å; L57-T60 PolarHBondContact O-N 3.3Å; F58-T60 VanDerWaalsContact C-N 3.29Å; F58-T60 PolarHBondContact O-N 2.92Å; T60-P62 WeakPolarHBondContact O-CD 3.4Å; T60-P62 VanDerWaalsContact O-N 3.11Å; T60-G180 VanDerWaalsContact CG2-O 3.27Å; T60-G180 WeakPolarHBondContact CG2-O 3.39Å; T60-G180 WeakPolarHBondContact O-CA 3.48Å; T60-D183 HydrophobicContact CG2-CB 3.29Å; T60-M184 HydrophobicContact CG2-CG 3.87Å; T60-I187 HydrophobicContact CG2-CD1 4.46Å
61I93.9Very high93.6Very high4 Ų458.8 Ų58.82%0.02127%0.265CS..SBendtrans-55118.8178.5-67.8172.1000109.2L57 F58 W63 M184 I263 V268L57-I61 PolarHBondContact O-N 3.3Å; F58-I61 PolarHBondContact O-N 3.43Å; I61-W63 PolarHBondContact O-N 2.91Å; I61-M184 HydrophobicContact CG1-CE 4.22Å; I61-M184 HydrophobicContact CG1-SD 4.34Å; I61-I263 HydrophobicContact CD1-CD1 3.99Å; I61-I263 HydrophobicContact CD1-CG2 3.86Å; I61-V268 HydrophobicContact CG2-CG1 3.69Å
62P93.7Very high93.5Very high10 Ų1054.5 Ų54.57%0.06525%0.248CC..PPolyproline II helixtrans-78.9124.2-171.330.8-33.9000110.9T60 L97 F177 L181T60-P62 WeakPolarHBondContact O-CD 3.4Å; T60-P62 VanDerWaalsContact O-N 3.11Å; P62-L97 HydrophobicContact CG-CD1 4.14Å; P62-F177 HydrophobicContact CB-CD2 3.55Å; P62-F177 HydrophobicContact CB-CE2 3.86Å; P62-F177 HydrophobicContact CB-CG 4.04Å; P62-F177 HydrophobicContact CG-CD2 4.1Å; P62-F177 HydrophobicContact CG-CE2 3.96Å; P62-F177 HydrophobicContact CG-CZ 4.32Å; P62-L181 HydrophobicContact CG-CD2 3.55Å; P62-L181 HydrophobicContact CG-CG 4.02Å
63W93.5Very high93.2Very high121 Ų12153.2 Ų53.246%0.45825%0.251SS..PPolyproline II helixtrans-87.4129.1173.9-62.588.7000110.4I61 L65 F271I61-W63 PolarHBondContact O-N 2.91Å; W63-L65 PolarHBondContact O-N 3.05Å; W63-F271 HydrophobicContact CE3-CD1 4.12Å; W63-F271 HydrophobicContact CE3-CE1 4.16Å; W63-F271 AromaticContact CZ3-CD1 3.59Å; W63-F271 HydrophobicContact CZ3-CD1 3.59Å; W63-F271 AromaticContact CZ3-CE1 3.85Å; W63-F271 HydrophobicContact CZ3-CE1 3.85Å
64V93.6Very high93.1Very high1 Ų154.3 Ų54.31%0.00626%0.257CS..THydrogen-bonded Turntrans-77.5-10.3-176.275.20000113K66 F67 A68 F90 M93 M94 F177 N272V64-K66 PolarHBondContact O-N 3.16Å; V64-F67 HydrophobicContact CG2-CD1 4.21Å; V64-F67 WeakPolarHBondContact O-CB 3.11Å; V64-F67 PolarHBondContact O-N 3.37Å; V64-A68 WeakPolarHBondContact O-CB 3.26Å; V64-A68 PolarHBondContact O-N 2.99Å; V64-F90 HydrophobicContact CB-CE2 4.15Å; V64-F90 HydrophobicContact CG1-CE2 3.56Å; V64-F90 HydrophobicContact CG1-CZ 3.89Å; V64-F90 HydrophobicContact CG2-CD2 3.88Å; V64-F90 HydrophobicContact CG2-CE2 3.46Å; V64-F90 VanDerWaalsContact CG2-CE2 3.46Å; V64-F90 HydrophobicContact CG2-CZ 4.26Å; V64-M93 HydrophobicContact CG2-CB 4.42Å; V64-M94 HydrophobicContact CB-SD 3.92Å; V64-M94 HydrophobicContact CG1-SD 3.88Å; V64-M94 HydrophobicContact CG2-SD 4.04Å; V64-F177 HydrophobicContact CB-CE2 4.45Å; V64-N272 HydrophobicContact CG1-CB 3.8Å; V64-N272 WeakPolarHBondContact CG1-O 3.18Å; V64-N272 PolarHBondContact N-OD1 3.23Å; V64-N272 VanDerWaalsContact N-OD1 3.13Å
65L94.2Very high92.9Very high64 Ų6452.9 Ų52.934%0.33525%0.251SS..Hα-helixtrans-59.7-43-169.9-176.558000113.5W63 F67 A68 I69 T275 I279W63-L65 PolarHBondContact O-N 3.05Å; L65-F67 VanDerWaalsContact C-N 3.35Å; L65-F67 PolarHBondContact O-N 3.3Å; L65-A68 PolarHBondContact O-N 3.14Å; L65-I69 HydrophobicContact CD1-CD1 3.93Å; L65-I69 HydrophobicContact CD1-CG1 4.18Å; L65-I69 HydrophobicContact CG-CD1 3.93Å; L65-I69 WeakPolarHBondContact O-CG1 3.43Å; L65-I69 PolarHBondContact O-N 3Å; L65-T275 HydrophobicContact CD1-CG2 4.41Å; L65-I279 HydrophobicContact CD1-CD1 3.03Å
66K94Very high92.1Very high143 Ų14350.1 Ų50.162%0.62225%0.252SS*.Hα-helixtrans-60.3-47178.2-67.8-176.1176.7-178.20111.4V64 I69 S70 E173V64-K66 PolarHBondContact O-N 3.16Å; K66-I69 PolarHBondContact O-N 3.3Å; K66-S70 VanDerWaalsContact O-CB 3.31Å; K66-S70 WeakPolarHBondContact O-CB 3.27Å; K66-S70 PolarHBondContact O-N 3.07Å; K66-E173 VanDerWaalsContact CB-OE2 3.28Å; K66-E173 WeakPolarHBondContact CB-OE2 3.41Å; K66-E173 WeakPolarHBondContact CD-OE2 3.49Å
67F95.4Very high91.4Very high3 Ų343.8 Ų43.81%0.01324%0.235CC..Hα-helixtrans-61.8-46175.2175-102.2000111.8V64 L65 I69 S70 I71 C89 M93 T148 I170 I174V64-F67 HydrophobicContact CG2-CD1 4.21Å; V64-F67 WeakPolarHBondContact O-CB 3.11Å; V64-F67 PolarHBondContact O-N 3.37Å; L65-F67 VanDerWaalsContact C-N 3.35Å; L65-F67 PolarHBondContact O-N 3.3Å; F67-I69 VanDerWaalsContact C-N 3.35Å; F67-I69 PolarHBondContact O-N 3.24Å; F67-S70 PolarHBondContact O-N 3.41Å; F67-I71 HydrophobicContact CE1-CD1 4.31Å; F67-I71 HydrophobicContact CE1-CG2 4.34Å; F67-I71 HydrophobicContact CE2-CD1 4.5Å; F67-I71 HydrophobicContact CZ-CB 4.38Å; F67-I71 HydrophobicContact CZ-CD1 3.8Å; F67-I71 WeakPolarHBondContact O-CG2 3.31Å; F67-I71 PolarHBondContact O-N 3.46Å; F67-C89 HydrophobicContact CE1-CB 4.44Å; F67-C89 HydrophobicContact CZ-CB 4.03Å; F67-M93 HydrophobicContact CB-CE 4.43Å; F67-M93 HydrophobicContact CD1-CE 4.31Å; F67-M93 HydrophobicContact CD1-CG 4.01Å; F67-M93 HydrophobicContact CD2-CE 4.31Å; F67-M93 HydrophobicContact CE1-CB 4.46Å; F67-M93 HydrophobicContact CE1-CG 3.7Å; F67-M93 HydrophobicContact CG-CE 4.08Å; F67-M93 HydrophobicContact CZ-CG 4.02Å; F67-T148 HydrophobicContact CE2-CG2 4.2Å; F67-T148 HydrophobicContact CZ-CG2 3.73Å; F67-I170 HydrophobicContact CD2-CG2 4.33Å; F67-I170 HydrophobicContact CE2-CG2 3.82Å; F67-I174 HydrophobicContact CD2-CG1 3.8Å; F67-I174 HydrophobicContact CE2-CD1 3.87Å; F67-I174 HydrophobicContact CE2-CG1 3.48Å; F67-I174 VanDerWaalsContact CE2-CG1 3.48Å; F67-I174 HydrophobicContact CZ-CG1 4.42Å
68A94.9Very high90.8Very high0 Ų050.8 Ų50.80%027%0.273CS..Hα-helixtrans-59.5-42.2179.600000112.5V64 L65 I71 S72 F90 I279 V280V64-A68 WeakPolarHBondContact O-CB 3.26Å; V64-A68 PolarHBondContact O-N 2.99Å; L65-A68 PolarHBondContact O-N 3.14Å; A68-I71 WeakPolarHBondContact O-CG2 3.39Å; A68-S72 VanDerWaalsContact O-CB 3.29Å; A68-S72 WeakPolarHBondContact O-CB 3.36Å; A68-S72 PolarHBondContact O-N 3.34Å; A68-S72 VanDerWaalsContact O-N 3.16Å; A68-S72 PolarHBondContact O-OG 3.47Å; A68-F90 HydrophobicContact CB-CD2 4.33Å; A68-F90 HydrophobicContact CB-CE2 4.22Å; A68-I279 HydrophobicContact CB-CB 4.34Å; A68-I279 HydrophobicContact CB-CG2 4.13Å; A68-V280 HydrophobicContact CB-CG2 3.86Å
69I93.4Very high90.7Very high100 Ų10049.5 Ų49.551%0.51327%0.273SS..Hα-helixtrans-67.3-47.7175.8-66.7167000110.3L65 K66 F67 S72 G73 I279L65-I69 HydrophobicContact CD1-CD1 3.93Å; L65-I69 HydrophobicContact CD1-CG1 4.18Å; L65-I69 HydrophobicContact CG-CD1 3.93Å; L65-I69 WeakPolarHBondContact O-CG1 3.43Å; L65-I69 PolarHBondContact O-N 3Å; K66-I69 PolarHBondContact O-N 3.3Å; F67-I69 VanDerWaalsContact C-N 3.35Å; F67-I69 PolarHBondContact O-N 3.24Å; I69-S72 PolarHBondContact O-N 3.38Å; I69-G73 PolarHBondContact O-N 2.94Å; I69-I279 HydrophobicContact CG1-CD1 4.46Å; I69-I279 HydrophobicContact CG1-CG2 4.21Å
70S93.2Very high90.6Very high14 Ų1451.5 Ų51.510%0.09828%0.281CS..Hα-helixtrans-59.7-49.2-178.5-177.40000112K66 F67 S72 G73 H74 I170K66-S70 VanDerWaalsContact O-CB 3.31Å; K66-S70 WeakPolarHBondContact O-CB 3.27Å; K66-S70 PolarHBondContact O-N 3.07Å; F67-S70 PolarHBondContact O-N 3.41Å; S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 3.48Å; S70-G73 PolarHBondContact O-N 3.29Å; S70-H74 WeakPolarHBondContact O-CB 3.34Å; S70-H74 PolarHBondContact O-CD2 2.98Å; S70-H74 PolarHBondContact O-N 3.14Å; S70-H74 PolarHBondContact OG-CD2 3.21Å; S70-I170 VanDerWaalsContact OG-CG1 3.3Å; S70-I170 WeakPolarHBondContact OG-CG1 3.48Å
71I93.3Very high90.7Very high0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-66.5-34.8178.6-160.8172.1000112.1F67 A68 L75 R86 C89 V280F67-I71 HydrophobicContact CE1-CD1 4.31Å; F67-I71 HydrophobicContact CE1-CG2 4.34Å; F67-I71 HydrophobicContact CE2-CD1 4.5Å; F67-I71 HydrophobicContact CZ-CB 4.38Å; F67-I71 HydrophobicContact CZ-CD1 3.8Å; F67-I71 WeakPolarHBondContact O-CG2 3.31Å; F67-I71 PolarHBondContact O-N 3.46Å; A68-I71 WeakPolarHBondContact O-CG2 3.39Å; I71-L75 HydrophobicContact CD1-CD2 4.48Å; I71-L75 HydrophobicContact CG1-CB 4.12Å; I71-L75 HydrophobicContact CG1-CD2 4.3Å; I71-L75 WeakPolarHBondContact O-CA 3.45Å; I71-L75 WeakPolarHBondContact O-CB 3.14Å; I71-L75 PolarHBondContact O-N 3.24Å; I71-R86 HydrophobicContact CG1-CG 4.34Å; I71-C89 HydrophobicContact CD1-CB 3.35Å; I71-V280 HydrophobicContact CG2-CG2 4.02Å
72S91.9Very high90.6Very high11 Ų1154.8 Ų54.88%0.07729%0.291CS..Hα-helixtrans-71.3-35.5179.1-56.40000112.6A68 I69 S70 I279 V280A68-S72 VanDerWaalsContact O-CB 3.29Å; A68-S72 WeakPolarHBondContact O-CB 3.36Å; A68-S72 PolarHBondContact O-N 3.34Å; A68-S72 VanDerWaalsContact O-N 3.16Å; A68-S72 PolarHBondContact O-OG 3.47Å; I69-S72 PolarHBondContact O-N 3.38Å; S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 3.48Å; S72-I279 PolarHBondContact OG-O 2.87Å; S72-V280 WeakPolarHBondContact OG-CA 3.49Å
73G89.6Confident90.5Very high52 Ų5260.1 Ų60.154%0.53631%0.31SS..Hα-helixtrans-75.4-39.3177.400000113.4I69 S70I69-G73 PolarHBondContact O-N 2.94Å; S70-G73 PolarHBondContact O-N 3.29Å
74H90.1Very high90.6Very high70 Ų7058.8 Ų58.832%0.32431%0.311SS..Hα-helixtrans-95.2-30.2-173.6-64.4-45.6000114.4S70 S76 A166 I170S70-H74 WeakPolarHBondContact O-CB 3.34Å; S70-H74 PolarHBondContact O-CD2 2.98Å; S70-H74 PolarHBondContact O-N 3.14Å; S70-H74 PolarHBondContact OG-CD2 3.21Å; H74-S76 PolarHBondContact O-N 3.42Å; H74-A166 HydrophobicContact CB-CB 4.08Å; H74-A166 WeakPolarHBondContact ND1-CB 3.38Å; H74-I170 HydrophobicContact CB-CD1 3.75Å; H74-I170 HydrophobicContact CB-CG1 4.45Å
75L88.4Confident90.7Very high2 Ų258.8 Ų58.81%0.0131%0.311CS..SBendtrans-95.452.8171-164.563.8000109.6I71 M85 R86 A155 F160 I161I71-L75 HydrophobicContact CD1-CD2 4.48Å; I71-L75 HydrophobicContact CG1-CB 4.12Å; I71-L75 HydrophobicContact CG1-CD2 4.3Å; I71-L75 WeakPolarHBondContact O-CA 3.45Å; I71-L75 WeakPolarHBondContact O-CB 3.14Å; I71-L75 PolarHBondContact O-N 3.24Å; L75-M85 HydrophobicContact CD2-CB 3.75Å; L75-R86 HydrophobicContact CB-CG 4.04Å; L75-R86 HydrophobicContact CD2-CG 3.64Å; L75-R86 HydrophobicContact CG-CG 3.98Å; L75-R86 WeakPolarHBondContact O-CD 3.42Å; L75-R86 PolarHBondContact O-NH1 3.36Å; L75-A155 HydrophobicContact CD1-CB 3.71Å; L75-A155 HydrophobicContact CD2-CB 4.38Å; L75-F160 HydrophobicContact CD1-CB 3.29Å; L75-F160 HydrophobicContact CD1-CG 4.1Å; L75-I161 HydrophobicContact CD1-CD1 4.28Å; L75-I161 HydrophobicContact CD1-CG1 3.8Å
76S77.4Confident90.7Very high71 Ų7156.2 Ų56.250%0.49730%0.297SS..  trans-72135.2-179.560.90000110.6H74H74-S76 PolarHBondContact O-N 3.42Å
77G77.1Confident90.7Very high24 Ų2452.6 Ų52.625%0.24728%0.279CS..  trans155.7141176.600000112.4S79 R86G77-S79 VanDerWaalsContact C-N 3.32Å; G77-R86 PolarHBondContact O-NH1 2.97Å; G77-R86 PolarHBondContact O-NH2 3.42Å; G77-R86 VanDerWaalsContact O-NH2 3.12Å
78N81.5Confident90.8Very high156 Ų15653.6 Ų53.683%0.83429%0.285SS*.  trans-90.62.9177.2-64.6-25.6000112.6
79S88.9Confident90.9Very high50 Ų5053.6 Ų53.635%0.3529%0.286SS..SBendtrans-64143.7175.369.90000110.1G77 R81 A82 R83G77-S79 VanDerWaalsContact C-N 3.32Å; S79-R81 PolarHBondContact O-N 3.34Å; S79-A82 PolarHBondContact O-N 3.47Å; S79-A82 VanDerWaalsContact OG-CB 3.24Å; S79-A82 WeakPolarHBondContact OG-CB 3.44Å; S79-A82 PolarHBondContact OG-N 2.96Å; S79-R83 PolarHBondContact O-N 3.25Å
80E92.3Very high91Very high165 Ų16548.9 Ų48.977%0.77126%0.261SS*.Hα-helixtrans-56.5-38.5176.5-175.6176.7-171.200111.3R83 L84E80-R83 PolarHBondContact O-N 3.47Å; E80-L84 WeakPolarHBondContact O-CB 3.38Å; E80-L84 PolarHBondContact O-N 3.15Å
81R94.1Very high91.2Very high93 Ų9349.6 Ų49.635%0.35126%0.262SS..Hα-helixtrans-61.4-48176.9-176.563.2176.8143.9-1.3112.4S79 L84 M85 E158 F160S79-R81 PolarHBondContact O-N 3.34Å; R81-L84 PolarHBondContact O-N 3.45Å; R81-M85 HydrophobicContact CG-CE 4.48Å; R81-M85 VanDerWaalsContact CZ-CE 3.43Å; R81-M85 VanDerWaalsContact NH2-CE 3.25Å; R81-M85 WeakPolarHBondContact O-CG 3.46Å; R81-M85 PolarHBondContact O-N 3.26Å; R81-E158 IonicContact CZ-OE1 3.22Å; R81-E158 IonicContact CZ-OE2 3.44Å; R81-E158 IonicContact NE-OE1 2.72Å; R81-E158 IonicContact NE-OE2 2.71Å; R81-E158 PolarHBondContact NE-OE2 3.06Å; R81-E158 VanDerWaalsContact NE-OE2 3.09Å; R81-E158 IonicContact NH2-OE1 2.81Å; R81-E158 PolarHBondContact NH2-OE1 2.98Å; R81-E158 IonicContact NH2-OE2 3.3Å; R81-F160 HydrophobicContact CB-CE2 4.42Å; R81-F160 HydrophobicContact CB-CZ 3.91Å; R81-F160 HydrophobicContact CG-CE2 3.65Å; R81-F160 HydrophobicContact CG-CZ 3.61Å
82A92Very high91.4Very high0 Ų051.1 Ų51.10%027%0.268CS..Hα-helixtrans-65.4-40.8178.600000111.3S79 L84 M85 R86 F160S79-A82 PolarHBondContact O-N 3.47Å; S79-A82 VanDerWaalsContact OG-CB 3.24Å; S79-A82 WeakPolarHBondContact OG-CB 3.44Å; S79-A82 PolarHBondContact OG-N 2.96Å; A82-L84 PolarHBondContact O-N 3.43Å; A82-M85 PolarHBondContact O-N 2.99Å; A82-R86 WeakPolarHBondContact O-CB 3.3Å; A82-R86 WeakPolarHBondContact O-CG 3.29Å; A82-R86 PolarHBondContact O-N 2.77Å; A82-F160 HydrophobicContact CB-CD1 4.2Å; A82-F160 HydrophobicContact CB-CE1 4.19Å
83R92.5Very high91.7Very high123 Ų12350.6 Ų50.646%0.46426%0.264SS..Hα-helixtrans-59.8-45.6174.5-175.6-179.6-178.8-154.2-2.7112S79 E80 R86 R87 D281S79-R83 PolarHBondContact O-N 3.25Å; E80-R83 PolarHBondContact O-N 3.47Å; R83-R86 PolarHBondContact O-N 3.41Å; R83-R87 WeakPolarHBondContact O-CB 3.27Å; R83-R87 VanDerWaalsContact O-CG 3.31Å; R83-R87 WeakPolarHBondContact O-CG 3.49Å; R83-R87 PolarHBondContact O-N 3.47Å; R83-D281 WeakPolarHBondContact CD-OD1 3.31Å; R83-D281 VanDerWaalsContact CG-OD1 3.3Å; R83-D281 WeakPolarHBondContact CG-OD1 3.31Å; R83-D281 IonicContact CZ-OD1 2.66Å; R83-D281 IonicContact CZ-OD2 3Å; R83-D281 IonicContact NE-OD1 3.63Å; R83-D281 PolarHBondContact NE-OD1 2.71Å; R83-D281 IonicContact NE-OD2 3.58Å; R83-D281 PolarHBondContact NE-OD2 3.12Å; R83-D281 VanDerWaalsContact NE-OD2 3.14Å; R83-D281 IonicContact NH2-OD1 2.8Å; R83-D281 IonicContact NH2-OD2 3.09Å; R83-D281 PolarHBondContact NH2-OD2 3.14Å
84L94.4Very high92Very high92 Ų9248.1 Ų48.148%0.48224%0.239SC..Hα-helixtrans-63.6-44.7178.1-175.3133.9000111.4E80 R81 A82 R87 T88E80-L84 WeakPolarHBondContact O-CB 3.38Å; E80-L84 PolarHBondContact O-N 3.15Å; R81-L84 PolarHBondContact O-N 3.45Å; A82-L84 PolarHBondContact O-N 3.43Å; L84-R87 PolarHBondContact O-N 3.13Å; L84-T88 VanDerWaalsContact O-CB 3.32Å; L84-T88 WeakPolarHBondContact O-CB 3.48Å; L84-T88 PolarHBondContact O-N 3.15Å; L84-T88 PolarHBondContact O-OG1 3.4Å
85M95.1Very high92.4Very high1 Ų145 Ų451%0.00522%0.224CC..Hα-helixtrans-59.4-49.6175-73.8-177.8165.100112.1L75 R81 A82 R87 T88 C89 L151 L154 A155 E158 F160L75-M85 HydrophobicContact CD2-CB 3.75Å; R81-M85 HydrophobicContact CG-CE 4.48Å; R81-M85 VanDerWaalsContact CZ-CE 3.43Å; R81-M85 VanDerWaalsContact NH2-CE 3.25Å; R81-M85 WeakPolarHBondContact O-CG 3.46Å; R81-M85 PolarHBondContact O-N 3.26Å; A82-M85 PolarHBondContact O-N 2.99Å; M85-R87 PolarHBondContact O-N 3.49Å; M85-T88 PolarHBondContact O-N 2.95Å; M85-C89 WeakPolarHBondContact O-CB 3.29Å; M85-C89 PolarHBondContact O-N 3.35Å; M85-C89 PolarHBondContact O-SG 3.47Å; M85-C89 VanDerWaalsContact O-SG 3.32Å; M85-L151 HydrophobicContact CG-CD1 4.09Å; M85-L154 HydrophobicContact CE-CD2 4.35Å; M85-L154 HydrophobicContact CE-CG 4.22Å; M85-A155 HydrophobicContact CE-CB 4.22Å; M85-A155 HydrophobicContact SD-CB 3.56Å; M85-A155 VanDerWaalsContact SD-CB 3.56Å; M85-E158 HydrophobicContact CE-CG 4.38Å; M85-E158 WeakPolarHBondContact CE-OE1 3.43Å; M85-E158 WeakPolarHBondContact CE-OE2 3.27Å; M85-F160 HydrophobicContact CE-CD2 4.19Å; M85-F160 HydrophobicContact CE-CE2 4.08Å; M85-F160 HydrophobicContact SD-CD2 3.79Å; M85-F160 HydrophobicContact SD-CE2 3.97Å
86R94.5Very high92.8Very high10 Ų1044.9 Ų44.94%0.03822%0.224CC..Hα-helixtrans-54.5-52177.9-83.1-158.5-55.8-81.7-0.4112.1I71 L75 G77 A82 R83 F90 V280I71-R86 HydrophobicContact CG1-CG 4.34Å; L75-R86 HydrophobicContact CB-CG 4.04Å; L75-R86 HydrophobicContact CD2-CG 3.64Å; L75-R86 HydrophobicContact CG-CG 3.98Å; L75-R86 WeakPolarHBondContact O-CD 3.42Å; L75-R86 PolarHBondContact O-NH1 3.36Å; G77-R86 PolarHBondContact O-NH1 2.97Å; G77-R86 PolarHBondContact O-NH2 3.42Å; G77-R86 VanDerWaalsContact O-NH2 3.12Å; A82-R86 WeakPolarHBondContact O-CB 3.3Å; A82-R86 WeakPolarHBondContact O-CG 3.29Å; A82-R86 PolarHBondContact O-N 2.77Å; R83-R86 PolarHBondContact O-N 3.41Å; R86-F90 PolarHBondContact O-N 3.32Å; R86-F90 VanDerWaalsContact O-N 3.07Å; R86-V280 HydrophobicContact CB-CG1 3.66Å; R86-V280 PolarHBondContact NE-O 2.69Å; R86-V280 VanDerWaalsContact NE-O 3.17Å; R86-V280 WeakPolarHBondContact O-CG1 3.26Å
87R95Very high93.7Very high68 Ų6841.5 Ų41.526%0.25720%0.2SC..Hα-helixtrans-65-42.3-178.8-7017065.177.90.7112.3R83 L84 M85 F90 R91 W277 D281R83-R87 WeakPolarHBondContact O-CB 3.27Å; R83-R87 VanDerWaalsContact O-CG 3.31Å; R83-R87 WeakPolarHBondContact O-CG 3.49Å; R83-R87 PolarHBondContact O-N 3.47Å; L84-R87 PolarHBondContact O-N 3.13Å; M85-R87 PolarHBondContact O-N 3.49Å; R87-F90 PolarHBondContact O-N 2.87Å; R87-R91 VanDerWaalsContact O-CB 3.25Å; R87-R91 WeakPolarHBondContact O-CB 3.49Å; R87-R91 PolarHBondContact O-N 3.31Å; R87-W277 HydrophobicContact CB-CH2 4.24Å; R87-W277 HydrophobicContact CB-CZ3 4.27Å; R87-W277 VanDerWaalsContact NH1-CZ2 3.31Å; R87-D281 HydrophobicContact CG-CB 4.22Å; R87-D281 IonicContact CZ-OD2 3.68Å; R87-D281 IonicContact NE-OD2 3.71Å; R87-D281 IonicContact NH1-OD2 2.8Å; R87-D281 PolarHBondContact NH1-OD2 3.17Å
88T96.6Very high94.6Very high23 Ų2340.3 Ų40.314%0.14119%0.188CC..Hα-helixtrans-68-43.8179.2-63.60000111.8L84 M85 F90 R91 Y92 L151L84-T88 VanDerWaalsContact O-CB 3.32Å; L84-T88 WeakPolarHBondContact O-CB 3.48Å; L84-T88 PolarHBondContact O-N 3.15Å; L84-T88 PolarHBondContact O-OG1 3.4Å; M85-T88 PolarHBondContact O-N 2.95Å; T88-F90 VanDerWaalsContact C-N 3.35Å; T88-F90 PolarHBondContact O-N 3.21Å; T88-R91 PolarHBondContact O-N 3.5Å; T88-Y92 HydrophobicContact CG2-CD1 4.38Å; T88-Y92 HydrophobicContact CG2-CD2 4.05Å; T88-Y92 HydrophobicContact CG2-CE1 3.87Å; T88-Y92 HydrophobicContact CG2-CE2 3.5Å; T88-Y92 HydrophobicContact CG2-CG 4.47Å; T88-Y92 VanDerWaalsContact CG2-CZ 3.4Å; T88-Y92 VanDerWaalsContact O-CG 3.31Å; T88-Y92 PolarHBondContact O-N 3.06Å; T88-L151 HydrophobicContact CG2-CD2 3.64Å
89C96.8Very high95.3Very high1 Ų133.5 Ų33.51%0.00715%0.152CC..Hα-helixtrans-56-48.4173.3-78.80000112F67 I71 M85 Y92 M93 T148 L151F67-C89 HydrophobicContact CE1-CB 4.44Å; F67-C89 HydrophobicContact CZ-CB 4.03Å; I71-C89 HydrophobicContact CD1-CB 3.35Å; M85-C89 WeakPolarHBondContact O-CB 3.29Å; M85-C89 PolarHBondContact O-N 3.35Å; M85-C89 PolarHBondContact O-SG 3.47Å; M85-C89 VanDerWaalsContact O-SG 3.32Å; C89-Y92 PolarHBondContact O-N 3.36Å; C89-M93 WeakPolarHBondContact O-CG 3.19Å; C89-M93 PolarHBondContact O-N 3.32Å; C89-T148 HydrophobicContact CB-CG2 3.99Å; C89-L151 VanDerWaalsContact SG-CD2 3.5Å
90F96.8Very high95.6Very high0 Ų031.1 Ų31.10%014%0.135CC..Hα-helixtrans-62.2-46.2177.4-178.7-89.5000112.1V64 A68 R86 R87 T88 Y92 M93 M94 N272 G276 W277 V280V64-F90 HydrophobicContact CB-CE2 4.15Å; V64-F90 HydrophobicContact CG1-CE2 3.56Å; V64-F90 HydrophobicContact CG1-CZ 3.89Å; V64-F90 HydrophobicContact CG2-CD2 3.88Å; V64-F90 HydrophobicContact CG2-CE2 3.46Å; V64-F90 VanDerWaalsContact CG2-CE2 3.46Å; V64-F90 HydrophobicContact CG2-CZ 4.26Å; A68-F90 HydrophobicContact CB-CD2 4.33Å; A68-F90 HydrophobicContact CB-CE2 4.22Å; R86-F90 PolarHBondContact O-N 3.32Å; R86-F90 VanDerWaalsContact O-N 3.07Å; R87-F90 PolarHBondContact O-N 2.87Å; T88-F90 VanDerWaalsContact C-N 3.35Å; T88-F90 PolarHBondContact O-N 3.21Å; F90-Y92 VanDerWaalsContact C-N 3.33Å; F90-Y92 PolarHBondContact O-N 2.87Å; F90-M93 PolarHBondContact O-N 3.24Å; F90-M94 HydrophobicContact CD1-CG 3.97Å; F90-M94 HydrophobicContact CE1-CG 3.44Å; F90-M94 VanDerWaalsContact CE1-CG 3.44Å; F90-M94 HydrophobicContact CE1-SD 4.45Å; F90-M94 HydrophobicContact CE2-CG 4.31Å; F90-M94 HydrophobicContact CZ-CG 3.63Å; F90-M94 HydrophobicContact CZ-SD 4.07Å; F90-M94 WeakPolarHBondContact O-CG 3.39Å; F90-M94 PolarHBondContact O-N 3.25Å; F90-N272 WeakPolarHBondContact CZ-O 3.39Å; F90-G276 VanDerWaalsContact CE2-C 3.46Å; F90-G276 VanDerWaalsContact CE2-CA 3.41Å; F90-G276 VanDerWaalsContact CZ-C 3.44Å; F90-G276 VanDerWaalsContact CZ-CA 3.49Å; F90-W277 AromaticContact CD1-CE3 3.39Å; F90-W277 HydrophobicContact CD1-CE3 3.39Å; F90-W277 AromaticContact CD1-CZ3 3.82Å; F90-W277 HydrophobicContact CD1-CZ3 3.82Å; F90-W277 HydrophobicContact CE1-CB 4.21Å; F90-W277 AromaticContact CE1-CE3 3.81Å; F90-W277 HydrophobicContact CE1-CE3 3.81Å; F90-W277 HydrophobicContact CG-CE3 4.28Å; F90-V280 HydrophobicContact CB-CG1 4.23Å; F90-V280 HydrophobicContact CB-CG2 4.17Å; F90-V280 HydrophobicContact CD2-CG2 3.76Å; F90-V280 HydrophobicContact CG-CG2 4.14Å
91R97.3Very high95.8Very high30 Ų3023.3 Ų23.311%0.11310%0.099CC..Hα-helixtrans-58.5-45.6179.6-175.7170.157.575.4-0.2111.1R87 T88 M93 M94 S95 I123 E128 W273 W277R87-R91 VanDerWaalsContact O-CB 3.25Å; R87-R91 WeakPolarHBondContact O-CB 3.49Å; R87-R91 PolarHBondContact O-N 3.31Å; T88-R91 PolarHBondContact O-N 3.5Å; R91-M93 PolarHBondContact O-N 2.81Å; R91-M94 CarbonylContact O-C 3.57Å; R91-M94 PolarHBondContact O-N 2.72Å; R91-S95 PolarHBondContact O-N 3.41Å; R91-S95 PolarHBondContact O-OG 3Å; R91-I123 WeakPolarHBondContact CD-O 3.39Å; R91-I123 WeakPolarHBondContact CG-O 3.34Å; R91-I123 PolarHBondContact NH1-O 3.25Å; R91-E128 IonicContact CZ-OE1 2.72Å; R91-E128 IonicContact CZ-OE2 3.68Å; R91-E128 IonicContact NH1-OE1 3.84Å; R91-E128 PolarHBondContact NH1-OE1 3Å; R91-E128 IonicContact NH1-OE2 2.61Å; R91-E128 PolarHBondContact NH1-OE2 3.13Å; R91-E128 IonicContact NH2-OE1 2.68Å; R91-E128 PolarHBondContact NH2-OE1 3.12Å; R91-E128 IonicContact NH2-OE2 2.84Å; R91-W273 HydrophobicContact CG-CH2 4.12Å; R91-W277 HydrophobicContact CB-CZ3 4.37Å
92Y97.7Very high95.8Very high32 Ų3219.3 Ų19.313%0.1258%0.084CC..Hα-helixtrans-59-46.9176.1-71.7-12.7000113.4T88 C89 F90 M94 S95 S96 E128 P144 W147 T148T88-Y92 HydrophobicContact CG2-CD1 4.38Å; T88-Y92 HydrophobicContact CG2-CD2 4.05Å; T88-Y92 HydrophobicContact CG2-CE1 3.87Å; T88-Y92 HydrophobicContact CG2-CE2 3.5Å; T88-Y92 HydrophobicContact CG2-CG 4.47Å; T88-Y92 VanDerWaalsContact CG2-CZ 3.4Å; T88-Y92 VanDerWaalsContact O-CG 3.31Å; T88-Y92 PolarHBondContact O-N 3.06Å; C89-Y92 PolarHBondContact O-N 3.36Å; F90-Y92 VanDerWaalsContact C-N 3.33Å; F90-Y92 PolarHBondContact O-N 2.87Å; Y92-M94 VanDerWaalsContact C-N 3.28Å; Y92-M94 PolarHBondContact O-N 2.92Å; Y92-S95 WeakPolarHBondContact O-CB 3.48Å; Y92-S95 PolarHBondContact O-N 3.22Å; Y92-S95 VanDerWaalsContact O-N 3.16Å; Y92-S96 PolarHBondContact O-N 2.88Å; Y92-E128 HydrophobicContact CE1-CG 4.23Å; Y92-E128 WeakPolarHBondContact CE1-OE1 3.39Å; Y92-E128 PolarHBondContact OH-OE1 3.29Å; Y92-P144 WeakPolarHBondContact CB-O 3.44Å; Y92-P144 HydrophobicContact CG-CB 4.3Å; Y92-P144 WeakPolarHBondContact O-CB 3.03Å; Y92-W147 HydrophobicContact CD1-CE3 4.12Å; Y92-W147 HydrophobicContact CD2-CB 3.55Å; Y92-W147 HydrophobicContact CD2-CE3 4.43Å; Y92-W147 AromaticContact CE1-CE3 3.86Å; Y92-W147 HydrophobicContact CE1-CE3 3.86Å; Y92-W147 HydrophobicContact CE1-CZ3 4.34Å; Y92-W147 HydrophobicContact CE2-CB 3.48Å; Y92-W147 VanDerWaalsContact CE2-CB 3.48Å; Y92-W147 HydrophobicContact CE2-CE3 4.18Å; Y92-W147 HydrophobicContact CE2-CG 4.35Å; Y92-W147 HydrophobicContact CG-CB 4.41Å; Y92-W147 HydrophobicContact CG-CE3 4.4Å; Y92-W147 AromaticContact CZ-CE3 3.88Å; Y92-T148 WeakPolarHBondContact CB-OG1 3.39Å
93M97.2Very high95.9Very high0 Ų023.1 Ų23.10%010%0.099CC..Hα-helixtrans-56.9-45.3175.7-68.6-72.4-74.800111.3V64 F67 C89 F90 R91 S96 L97 T148 I174 F177V64-M93 HydrophobicContact CG2-CB 4.42Å; F67-M93 HydrophobicContact CB-CE 4.43Å; F67-M93 HydrophobicContact CD1-CE 4.31Å; F67-M93 HydrophobicContact CD1-CG 4.01Å; F67-M93 HydrophobicContact CD2-CE 4.31Å; F67-M93 HydrophobicContact CE1-CB 4.46Å; F67-M93 HydrophobicContact CE1-CG 3.7Å; F67-M93 HydrophobicContact CG-CE 4.08Å; F67-M93 HydrophobicContact CZ-CG 4.02Å; C89-M93 WeakPolarHBondContact O-CG 3.19Å; C89-M93 PolarHBondContact O-N 3.32Å; F90-M93 PolarHBondContact O-N 3.24Å; R91-M93 PolarHBondContact O-N 2.81Å; M93-S96 WeakPolarHBondContact O-CB 3.16Å; M93-S96 PolarHBondContact O-N 3.48Å; M93-L97 PolarHBondContact O-N 3.16Å; M93-L97 VanDerWaalsContact O-N 3.16Å; M93-T148 HydrophobicContact CG-CG2 3.84Å; M93-T148 HydrophobicContact SD-CG2 4.08Å; M93-I174 HydrophobicContact CE-CG1 4.44Å; M93-I174 HydrophobicContact SD-CG1 4.33Å; M93-I174 HydrophobicContact SD-CG2 4.09Å; M93-F177 HydrophobicContact CB-CE1 4.34Å; M93-F177 HydrophobicContact CB-CZ 4.32Å; M93-F177 HydrophobicContact CE-CB 3.43Å; M93-F177 VanDerWaalsContact CE-CB 3.43Å; M93-F177 HydrophobicContact CE-CD1 3.32Å; M93-F177 HydrophobicContact CE-CD2 3.71Å; M93-F177 HydrophobicContact CE-CE1 3.88Å; M93-F177 HydrophobicContact CE-CE2 4.26Å; M93-F177 HydrophobicContact CE-CG 3.2Å; M93-F177 HydrophobicContact CE-CZ 4.31Å; M93-F177 VanDerWaalsContact O-CE1 3.3Å; M93-F177 WeakPolarHBondContact O-CE1 3.34Å; M93-F177 WeakPolarHBondContact O-CZ 3.47Å; M93-F177 HydrophobicContact SD-CD1 3.94Å; M93-F177 HydrophobicContact SD-CE1 4.21Å; M93-F177 HydrophobicContact SD-CG 4.41Å
94M97.2Very high95.9Very high0 Ų018 Ų180%08%0.081CC..Hα-helixtrans-67.5-37.6176.7-69-55.3-58.400113.1V64 F90 R91 Y92 S96 L97 V98 N272 W273V64-M94 HydrophobicContact CB-SD 3.92Å; V64-M94 HydrophobicContact CG1-SD 3.88Å; V64-M94 HydrophobicContact CG2-SD 4.04Å; F90-M94 HydrophobicContact CD1-CG 3.97Å; F90-M94 HydrophobicContact CE1-CG 3.44Å; F90-M94 VanDerWaalsContact CE1-CG 3.44Å; F90-M94 HydrophobicContact CE1-SD 4.45Å; F90-M94 HydrophobicContact CE2-CG 4.31Å; F90-M94 HydrophobicContact CZ-CG 3.63Å; F90-M94 HydrophobicContact CZ-SD 4.07Å; F90-M94 WeakPolarHBondContact O-CG 3.39Å; F90-M94 PolarHBondContact O-N 3.25Å; R91-M94 CarbonylContact O-C 3.57Å; R91-M94 PolarHBondContact O-N 2.72Å; Y92-M94 VanDerWaalsContact C-N 3.28Å; Y92-M94 PolarHBondContact O-N 2.92Å; M94-S96 PolarHBondContact O-N 2.93Å; M94-L97 HydrophobicContact CE-CD2 3.95Å; M94-L97 PolarHBondContact O-N 3.01Å; M94-L97 VanDerWaalsContact O-N 3.12Å; M94-L97 HydrophobicContact SD-CD2 4.37Å; M94-V98 WeakPolarHBondContact O-CG2 3.18Å; M94-V98 PolarHBondContact O-N 3.26Å; M94-N272 HydrophobicContact CE-CB 3.62Å; M94-N272 HydrophobicContact SD-CB 3.89Å; M94-W273 HydrophobicContact CB-CD2 4.46Å; M94-W273 HydrophobicContact CB-CE3 3.43Å; M94-W273 VanDerWaalsContact CB-CE3 3.43Å; M94-W273 HydrophobicContact CB-CH2 4.24Å; M94-W273 HydrophobicContact CB-CZ3 3.3Å; M94-W273 HydrophobicContact CE-CB 4.06Å; M94-W273 HydrophobicContact CE-CE3 3.88Å; M94-W273 HydrophobicContact CG-CD2 4.49Å; M94-W273 HydrophobicContact CG-CE3 3.84Å; M94-W273 HydrophobicContact CG-CZ3 4.14Å
95S96.8Very high95.9Very high3 Ų313.8 Ų13.82%0.0216%0.059CC..Hα-helixtrans-57.2-41.2173.6-56.90000111.3R91 Y92 V98 M99 I123 L124R91-S95 PolarHBondContact O-N 3.41Å; R91-S95 PolarHBondContact O-OG 3Å; Y92-S95 WeakPolarHBondContact O-CB 3.48Å; Y92-S95 PolarHBondContact O-N 3.22Å; Y92-S95 VanDerWaalsContact O-N 3.16Å; S95-V98 PolarHBondContact O-N 3.22Å; S95-M99 WeakPolarHBondContact O-CB 3.46Å; S95-M99 PolarHBondContact O-N 3.49Å; S95-I123 WeakPolarHBondContact OG-CG2 3.35Å; S95-I123 PolarHBondContact OG-O 3.1Å; S95-I123 VanDerWaalsContact OG-O 3.07Å; S95-L124 WeakPolarHBondContact OG-CD2 3.49Å
96S97.1Very high95.7Very high0 Ų018 Ų180%08%0.08CC..Hα-helixtrans-63.1-42.8174.5-760000112.9Y92 M93 M94 T100 P141 P144 V145Y92-S96 PolarHBondContact O-N 2.88Å; M93-S96 WeakPolarHBondContact O-CB 3.16Å; M93-S96 PolarHBondContact O-N 3.48Å; M94-S96 PolarHBondContact O-N 2.93Å; S96-T100 VanDerWaalsContact O-CB 3.3Å; S96-T100 WeakPolarHBondContact O-CB 3.36Å; S96-T100 PolarHBondContact O-N 3.17Å; S96-T100 PolarHBondContact O-OG1 2.87Å; S96-P141 WeakPolarHBondContact CA-O 3.42Å; S96-P141 WeakPolarHBondContact CB-O 3.16Å; S96-P141 PolarHBondContact OG-O 3.12Å; S96-P144 WeakPolarHBondContact OG-CB 3.49Å; S96-P144 WeakPolarHBondContact OG-CD 3.37Å; S96-V145 WeakPolarHBondContact OG-CG2 3.47Å; S96-V145 PolarHBondContact OG-N 3.35Å
97L96.8Very high95.7Very high0 Ų019.8 Ų19.80%09%0.09CC..Hα-helixtrans-64.3-46.6175.8176.360.9000111.8P62 M93 M94 T100 S101 F177 L181 N272P62-L97 HydrophobicContact CG-CD1 4.14Å; M93-L97 PolarHBondContact O-N 3.16Å; M93-L97 VanDerWaalsContact O-N 3.16Å; M94-L97 HydrophobicContact CE-CD2 3.95Å; M94-L97 PolarHBondContact O-N 3.01Å; M94-L97 VanDerWaalsContact O-N 3.12Å; M94-L97 HydrophobicContact SD-CD2 4.37Å; L97-T100 PolarHBondContact O-N 2.79Å; L97-S101 WeakPolarHBondContact O-CB 3.42Å; L97-S101 PolarHBondContact O-N 3.36Å; L97-S101 PolarHBondContact O-OG 2.89Å; L97-F177 HydrophobicContact CB-CZ 3.92Å; L97-L181 HydrophobicContact CB-CD2 4.42Å; L97-L181 HydrophobicContact CD1-CD2 4Å; L97-N272 HydrophobicContact CD2-CB 4.43Å
98V96.6Very high95.7Very high0 Ų016.5 Ų16.50%08%0.078CC..Hα-helixtrans-63.6-47.5179.3176.80000110.4M94 S95 T100 S101 T102 F112 F118 I123 I269M94-V98 WeakPolarHBondContact O-CG2 3.18Å; M94-V98 PolarHBondContact O-N 3.26Å; S95-V98 PolarHBondContact O-N 3.22Å; V98-T100 VanDerWaalsContact C-N 3.32Å; V98-T100 PolarHBondContact O-N 3.03Å; V98-S101 WeakPolarHBondContact O-CB 3.41Å; V98-S101 PolarHBondContact O-N 3.47Å; V98-S101 VanDerWaalsContact O-N 3.17Å; V98-T102 HydrophobicContact CG1-CG2 4.23Å; V98-T102 VanDerWaalsContact O-CG2 3.23Å; V98-T102 WeakPolarHBondContact O-CG2 3.3Å; V98-T102 PolarHBondContact O-N 2.77Å; V98-T102 PolarHBondContact O-OG1 2.87Å; V98-F112 HydrophobicContact CG1-CD2 3.63Å; V98-F112 HydrophobicContact CG1-CE2 3.66Å; V98-F112 HydrophobicContact CG1-CG 4.25Å; V98-F112 HydrophobicContact CG1-CZ 4.32Å; V98-F118 HydrophobicContact CG1-CD1 4.13Å; V98-F118 HydrophobicContact CG1-CE1 3.67Å; V98-I123 HydrophobicContact CG1-CD1 4.03Å; V98-I123 HydrophobicContact CG2-CD1 4.34Å; V98-I269 HydrophobicContact CG2-CD1 4.46Å; V98-I269 HydrophobicContact CG2-CG1 4.44Å; V98-I269 HydrophobicContact CG2-CG2 3.79Å
99M95.8Very high95.6Very high12 Ų1220.2 Ų20.26%0.0599%0.092CC..Hα-helixtrans-57.7-45.4177.6-172.7736600111.4S95 T102 R103 F118 M132 P141S95-M99 WeakPolarHBondContact O-CB 3.46Å; S95-M99 PolarHBondContact O-N 3.49Å; M99-T102 PolarHBondContact O-N 3.5Å; M99-T102 PolarHBondContact O-OG1 3.02Å; M99-R103 WeakPolarHBondContact O-CG 3.48Å; M99-R103 PolarHBondContact O-N 3.17Å; M99-F118 HydrophobicContact CE-CD2 3.57Å; M99-F118 HydrophobicContact CE-CE2 3.23Å; M99-F118 HydrophobicContact CE-CZ 4.05Å; M99-F118 HydrophobicContact SD-CD2 4.35Å; M99-F118 HydrophobicContact SD-CE2 3.41Å; M99-F118 WeakPolarHBondContact SD-CE2 3.17Å; M99-F118 HydrophobicContact SD-CZ 3.84Å; M99-M132 HydrophobicContact CE-CE 3.39Å; M99-M132 HydrophobicContact CE-SD 3.96Å; M99-P141 HydrophobicContact CB-CB 4.37Å; M99-P141 HydrophobicContact CG-CB 4.02Å; M99-P141 HydrophobicContact CG-CG 3.95Å
100T95.7Very high95.6Very high0 Ų026.3 Ų26.30%012%0.119CC..Hα-helixtrans-61.7-47176.4-59.70000110.9S96 L97 V98 T102 R103 L104 L181 M184 F185S96-T100 VanDerWaalsContact O-CB 3.3Å; S96-T100 WeakPolarHBondContact O-CB 3.36Å; S96-T100 PolarHBondContact O-N 3.17Å; S96-T100 PolarHBondContact O-OG1 2.87Å; L97-T100 PolarHBondContact O-N 2.79Å; V98-T100 VanDerWaalsContact C-N 3.32Å; V98-T100 PolarHBondContact O-N 3.03Å; T100-T102 VanDerWaalsContact C-N 3.34Å; T100-T102 PolarHBondContact O-N 3.31Å; T100-R103 PolarHBondContact O-N 3.42Å; T100-R103 VanDerWaalsContact O-N 3.08Å; T100-L104 HydrophobicContact CG2-CD1 3.69Å; T100-L104 HydrophobicContact CG2-CG 4.45Å; T100-L104 WeakPolarHBondContact O-CG 3.34Å; T100-L104 PolarHBondContact O-N 3.14Å; T100-L181 HydrophobicContact CG2-CB 4.44Å; T100-L181 HydrophobicContact CG2-CD2 4.03Å; T100-M184 HydrophobicContact CG2-CB 4.47Å; T100-M184 HydrophobicContact CG2-CE 4.5Å; T100-M184 HydrophobicContact CG2-SD 4.31Å; T100-F185 HydrophobicContact CG2-CD2 4.08Å; T100-F185 HydrophobicContact CG2-CE2 3.57Å; T100-F185 HydrophobicContact CG2-CZ 4.02Å
101S95.1Very high95.5Very high1 Ų130.6 Ų30.61%0.00714%0.135CC..Hα-helixtrans-59.8-42.4178.9-57.30000112.1L97 V98 R103 L104 N105L97-S101 WeakPolarHBondContact O-CB 3.42Å; L97-S101 PolarHBondContact O-N 3.36Å; L97-S101 PolarHBondContact O-OG 2.89Å; V98-S101 WeakPolarHBondContact O-CB 3.41Å; V98-S101 PolarHBondContact O-N 3.47Å; V98-S101 VanDerWaalsContact O-N 3.17Å; S101-R103 PolarHBondContact O-N 2.89Å; S101-L104 PolarHBondContact O-N 2.88Å; S101-N105 WeakPolarHBondContact O-CB 3.29Å; S101-N105 PolarHBondContact O-N 3.31Å
102T95Very high95.4Very high9 Ų929.9 Ų29.96%0.05513%0.132CC..Hα-helixtrans-67-18.3178.663.80000113.9V98 M99 T100 A108 K109 F112 F118V98-T102 HydrophobicContact CG1-CG2 4.23Å; V98-T102 VanDerWaalsContact O-CG2 3.23Å; V98-T102 WeakPolarHBondContact O-CG2 3.3Å; V98-T102 PolarHBondContact O-N 2.77Å; V98-T102 PolarHBondContact O-OG1 2.87Å; M99-T102 PolarHBondContact O-N 3.5Å; M99-T102 PolarHBondContact O-OG1 3.02Å; T100-T102 VanDerWaalsContact C-N 3.34Å; T100-T102 PolarHBondContact O-N 3.31Å; T102-A108 HydrophobicContact CG2-CB 4.36Å; T102-K109 WeakPolarHBondContact O-CB 3.36Å; T102-K109 WeakPolarHBondContact O-CD 3.47Å; T102-F112 HydrophobicContact CG2-CB 3.77Å; T102-F112 HydrophobicContact CG2-CD2 3.97Å; T102-F112 HydrophobicContact CG2-CG 4.33Å; T102-F118 HydrophobicContact CG2-CE1 3.99Å; T102-F118 HydrophobicContact CG2-CZ 4Å
103R94.1Very high95.3Very high81 Ų8130.7 Ų30.731%0.30614%0.142SC..Hα-helixtrans-90.2-25.5177-70.5176.3174.9-156.1-0.3112.7M99 T100 S101 I137 P141 F185M99-R103 WeakPolarHBondContact O-CG 3.48Å; M99-R103 PolarHBondContact O-N 3.17Å; T100-R103 PolarHBondContact O-N 3.42Å; T100-R103 VanDerWaalsContact O-N 3.08Å; S101-R103 PolarHBondContact O-N 2.89Å; R103-I137 VanDerWaalsContact CZ-O 3.28Å; R103-I137 PolarHBondContact NH1-O 3.2Å; R103-I137 PolarHBondContact NH2-O 3.35Å; R103-P141 VanDerWaalsContact CZ-CG 3.49Å; R103-P141 VanDerWaalsContact NH1-CD 3.29Å; R103-F185 HydrophobicContact CB-CE1 4.08Å; R103-F185 HydrophobicContact CB-CZ 4.28Å
104L93.2Very high95.1Very high16 Ų1633.4 Ų33.48%0.08416%0.158CC..Hα-helixtrans-108.1-25.6-171.8-59.7-179.1000113.4T100 S101 M184 F185 D188 M256T100-L104 HydrophobicContact CG2-CD1 3.69Å; T100-L104 HydrophobicContact CG2-CG 4.45Å; T100-L104 WeakPolarHBondContact O-CG 3.34Å; T100-L104 PolarHBondContact O-N 3.14Å; S101-L104 PolarHBondContact O-N 2.88Å; L104-M184 HydrophobicContact CD1-CB 3.56Å; L104-M184 HydrophobicContact CD1-CE 4.26Å; L104-F185 HydrophobicContact CD1-CD1 4.31Å; L104-F185 HydrophobicContact CD1-CE1 4.48Å; L104-F185 HydrophobicContact CD1-CG 4.39Å; L104-F185 HydrophobicContact CD2-CD1 3.66Å; L104-F185 HydrophobicContact CD2-CE1 3.84Å; L104-F185 HydrophobicContact CD2-CG 4.43Å; L104-F185 HydrophobicContact CG-CD1 4.27Å; L104-F185 HydrophobicContact CG-CE1 4.16Å; L104-D188 HydrophobicContact CD2-CB 3.64Å; L104-D188 WeakPolarHBondContact CD2-OD2 3.47Å; L104-M256 WeakPolarHBondContact O-CB 3.42Å
105N93Very high94.8Very high3 Ų336.3 Ų36.32%0.01618%0.177CC..  trans-122.8131-174.6-175.8-64.7000111.7S101 I107 A108 K109 M256 I265S101-N105 WeakPolarHBondContact O-CB 3.29Å; S101-N105 PolarHBondContact O-N 3.31Å; N105-I107 WeakPolarHBondContact OD1-CA 3.41Å; N105-I107 VanDerWaalsContact OD1-CB 3.28Å; N105-I107 WeakPolarHBondContact OD1-CB 2.97Å; N105-I107 PolarHBondContact OD1-N 2.75Å; N105-A108 HydrophobicContact CB-CB 4.2Å; N105-A108 PolarHBondContact O-N 2.97Å; N105-A108 PolarHBondContact OD1-N 3.44Å; N105-K109 WeakPolarHBondContact O-CB 3.4Å; N105-K109 PolarHBondContact O-N 3.01Å; N105-M256 HydrophobicContact CB-CB 4.24Å; N105-M256 HydrophobicContact CB-SD 3.94Å; N105-M256 PolarHBondContact ND2-O 3.19Å; N105-I265 HydrophobicContact CB-CG1 4.48Å; N105-I265 HydrophobicContact CB-CG2 4.11Å; N105-I265 WeakPolarHBondContact ND2-CG2 3.48Å; N105-I265 WeakPolarHBondContact OD1-CG2 3.43Å
106L92.2Very high94.6Very high88 Ų8841.5 Ų41.546%0.46120%0.201SC..Hα-helixtrans-67.6-38.4-175.7-175.259.4000112.6K109 K110 M256 E258L106-K109 WeakPolarHBondContact O-CB 3.45Å; L106-K109 PolarHBondContact O-N 2.93Å; L106-K110 WeakPolarHBondContact O-CG 3.28Å; L106-K110 PolarHBondContact O-N 3Å; L106-M256 PolarHBondContact N-O 3.3Å; L106-E258 HydrophobicContact CB-CG 4.39Å; L106-E258 HydrophobicContact CD2-CG 3.93Å; L106-E258 VanDerWaalsContact CD2-OE1 3.27Å; L106-E258 WeakPolarHBondContact CD2-OE1 3.24Å; L106-E258 HydrophobicContact CG-CG 4.35Å; L106-E258 VanDerWaalsContact CG-OE1 3.28Å; L106-E258 WeakPolarHBondContact CG-OE1 3.38Å
107I94.5Very high94.5Very high48 Ų4846.4 Ų46.425%0.24622%0.223CC..Hα-helixtrans-63.3-46.3177.5-55177.2000109.9N105 K109 K110 R111 G257 E258 I265 N266N105-I107 WeakPolarHBondContact OD1-CA 3.41Å; N105-I107 VanDerWaalsContact OD1-CB 3.28Å; N105-I107 WeakPolarHBondContact OD1-CB 2.97Å; N105-I107 PolarHBondContact OD1-N 2.75Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 3.2Å; I107-K110 PolarHBondContact O-N 3.06Å; I107-R111 PolarHBondContact O-N 3.5Å; I107-G257 WeakPolarHBondContact CD1-O 3.43Å; I107-G257 WeakPolarHBondContact CG1-O 3.37Å; I107-E258 HydrophobicContact CG1-CG 3.99Å; I107-I265 HydrophobicContact CB-CG2 4.4Å; I107-N266 WeakPolarHBondContact CG2-ND2 3.36Å
108A94.5Very high94.5Very high0 Ų046.7 Ų46.70%022%0.224CC..Hα-helixtrans-62.5-39.7175.700000111.5T102 N105 K110 R111 F112 I265T102-A108 HydrophobicContact CG2-CB 4.36Å; N105-A108 HydrophobicContact CB-CB 4.2Å; N105-A108 PolarHBondContact O-N 2.97Å; N105-A108 PolarHBondContact OD1-N 3.44Å; A108-K110 PolarHBondContact O-N 2.85Å; A108-R111 PolarHBondContact O-N 2.57Å; A108-F112 PolarHBondContact O-N 2.68Å; A108-I265 HydrophobicContact CB-CG2 3.97Å
109K95Very high94.4Very high100 Ų10048.3 Ų48.344%0.43523%0.234SC..Hα-helixtrans-63.8-37.7175.4-174.953.7167.8178.60112.6T102 N105 L106 I107 R111 F112 P113T102-K109 WeakPolarHBondContact O-CB 3.36Å; T102-K109 WeakPolarHBondContact O-CD 3.47Å; N105-K109 WeakPolarHBondContact O-CB 3.4Å; N105-K109 PolarHBondContact O-N 3.01Å; L106-K109 WeakPolarHBondContact O-CB 3.45Å; L106-K109 PolarHBondContact O-N 2.93Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 3.2Å; K109-R111 VanDerWaalsContact C-N 3.34Å; K109-F112 CarbonylContact O-C 3.42Å; K109-F112 VanDerWaalsContact O-C 3.3Å; K109-P113 PolarHBondContact NZ-O 2.82Å; K109-P113 WeakPolarHBondContact O-CA 3.49Å
110K95.5Very high94.4Very high129 Ų12951.9 Ų51.956%0.56127%0.265SS*.Hα-helixtrans-66.6-35.5173.2-74.9178.3175.6178.50111.9L106 I107 A108 P113 E258L106-K110 WeakPolarHBondContact O-CG 3.28Å; L106-K110 PolarHBondContact O-N 3Å; I107-K110 PolarHBondContact O-N 3.06Å; A108-K110 PolarHBondContact O-N 2.85Å; K110-P113 WeakPolarHBondContact O-CG 3.48Å; K110-E258 VanDerWaalsContact CD-OE1 3.31Å; K110-E258 WeakPolarHBondContact CD-OE1 3.42Å; K110-E258 WeakPolarHBondContact CE-OE1 3.42Å; K110-E258 IonicContact NZ-OE1 3.14Å; K110-E258 PolarHBondContact NZ-OE1 3.19Å; K110-E258 IonicContact NZ-OE2 3.73Å; K110-E258 PolarHBondContact NZ-OE2 2.97Å
111R95.3Very high94.4Very high91 Ų9154.5 Ų54.534%0.34329%0.287SS..Hα-helixtrans-71.6-40.3177.4-175.4177175.2-175.52.6113.2I107 A108 K109 N266 D270I107-R111 PolarHBondContact O-N 3.5Å; A108-R111 PolarHBondContact O-N 2.57Å; K109-R111 VanDerWaalsContact C-N 3.34Å; R111-N266 WeakPolarHBondContact CD-OD1 3.11Å; R111-N266 PolarHBondContact NH1-OD1 3.17Å; R111-D270 IonicContact CZ-OD1 3.47Å; R111-D270 VanDerWaalsContact CZ-OD1 3.22Å; R111-D270 IonicContact NH1-OD1 2.88Å; R111-D270 PolarHBondContact NH1-OD1 3.4Å; R111-D270 IonicContact NH2-OD1 3.38Å; R111-D270 PolarHBondContact NH2-OD1 3.18Å
112F95.4Very high94.3Very high14 Ų1456.6 Ų56.66%0.06131%0.309CS..SBendtrans-127.279.9177.2-48.9-78.5000110.7V98 T102 A108 K109 F117 F118 A121 I123V98-F112 HydrophobicContact CG1-CD2 3.63Å; V98-F112 HydrophobicContact CG1-CE2 3.66Å; V98-F112 HydrophobicContact CG1-CG 4.25Å; V98-F112 HydrophobicContact CG1-CZ 4.32Å; T102-F112 HydrophobicContact CG2-CB 3.77Å; T102-F112 HydrophobicContact CG2-CD2 3.97Å; T102-F112 HydrophobicContact CG2-CG 4.33Å; A108-F112 PolarHBondContact O-N 2.68Å; K109-F112 CarbonylContact O-C 3.42Å; K109-F112 VanDerWaalsContact O-C 3.3Å; F112-F117 HydrophobicContact CB-CB 4.45Å; F112-F117 HydrophobicContact CD1-CB 4.38Å; F112-F118 HydrophobicContact CB-CD1 4.13Å; F112-F118 HydrophobicContact CB-CE1 3.53Å; F112-F118 HydrophobicContact CB-CZ 4.29Å; F112-F118 HydrophobicContact CD1-CD1 4.36Å; F112-F118 HydrophobicContact CD1-CE1 4.47Å; F112-F118 HydrophobicContact CD2-CE1 4.48Å; F112-F118 HydrophobicContact CG-CD1 4.29Å; F112-F118 AromaticContact CG-CE1 3.95Å; F112-F118 HydrophobicContact CG-CE1 3.95Å; F112-A121 HydrophobicContact CE1-CB 3.91Å; F112-I123 HydrophobicContact CD1-CD1 4.31Å; F112-I123 HydrophobicContact CE1-CD1 3.76Å; F112-I123 HydrophobicContact CZ-CD1 3.95Å
113P94.6Very high94.4Very high50 Ų5056.6 Ų56.633%0.32531%0.308SS..  trans-68.5-40.1-171.6-23.235.4000113.7K109 K110K109-P113 PolarHBondContact NZ-O 2.82Å; K109-P113 WeakPolarHBondContact O-CA 3.49Å; K110-P113 WeakPolarHBondContact O-CG 3.48Å
114T93.4Very high94.5Very high56 Ų5653 Ų5334%0.34430%0.295SS..SBendtrans-127158.1-175740000111.2E116 F117T114-E116 WeakPolarHBondContact CB-OE2 3.47Å; T114-E116 PolarHBondContact O-N 3.27Å; T114-E116 PolarHBondContact OG1-OE2 3.5Å; T114-F117 WeakPolarHBondContact O-CB 3.34Å; T114-F117 PolarHBondContact O-N 3.43Å; T114-F117 WeakPolarHBondContact OG1-CD2 3.34Å
115P90.8Very high94.6Very high61 Ų6155 Ų5540%0.39631%0.308SS..THydrogen-bonded Turntrans-60.3-27-177.8-22.634.4000114.1F117 F118 L129P115-F117 PolarHBondContact O-N 3.45Å; P115-F118 HydrophobicContact CB-CD2 4.28Å; P115-F118 VanDerWaalsContact O-CB 3.3Å; P115-F118 WeakPolarHBondContact O-CB 3.49Å; P115-F118 WeakPolarHBondContact O-CD2 3.25Å; P115-F118 PolarHBondContact O-N 3.32Å; P115-L129 HydrophobicContact CB-CD1 3.62Å; P115-L129 HydrophobicContact CB-CD2 4.22Å
116E93.2Very high94.8Very high113 Ų11361.6 Ų61.653%0.52834%0.339SS..Hα-helixtrans-64-27.6176.9-5773-154.300111.8T114 F118 V119 A120T114-E116 WeakPolarHBondContact CB-OE2 3.47Å; T114-E116 PolarHBondContact O-N 3.27Å; T114-E116 PolarHBondContact OG1-OE2 3.5Å; E116-F118 PolarHBondContact O-N 3.33Å; E116-V119 PolarHBondContact O-N 3.25Å; E116-V119 VanDerWaalsContact O-N 3.14Å; E116-A120 PolarHBondContact O-N 3.41Å
117F95.7Very high94.9Very high102 Ų10264.6 Ų64.645%0.44735%0.35SS..Hα-helixtrans-67.3-24.6173.3-81-102.8000112.4F112 T114 P115 V119 A121F112-F117 HydrophobicContact CB-CB 4.45Å; F112-F117 HydrophobicContact CD1-CB 4.38Å; T114-F117 WeakPolarHBondContact O-CB 3.34Å; T114-F117 PolarHBondContact O-N 3.43Å; T114-F117 WeakPolarHBondContact OG1-CD2 3.34Å; P115-F117 PolarHBondContact O-N 3.45Å; F117-V119 VanDerWaalsContact C-N 3.31Å; F117-A121 WeakPolarHBondContact O-CB 3.47Å; F117-A121 PolarHBondContact O-N 2.95Å
118F95.6Very high95Very high6 Ų663.1 Ų63.13%0.02634%0.342CS..Hα-helixtrans-67.7-35.7172.1-57.5-43.5000111.5V98 M99 T102 F112 P115 E116 G122 I123 L124V98-F118 HydrophobicContact CG1-CD1 4.13Å; V98-F118 HydrophobicContact CG1-CE1 3.67Å; M99-F118 HydrophobicContact CE-CD2 3.57Å; M99-F118 HydrophobicContact CE-CE2 3.23Å; M99-F118 HydrophobicContact CE-CZ 4.05Å; M99-F118 HydrophobicContact SD-CD2 4.35Å; M99-F118 HydrophobicContact SD-CE2 3.41Å; M99-F118 WeakPolarHBondContact SD-CE2 3.17Å; M99-F118 HydrophobicContact SD-CZ 3.84Å; T102-F118 HydrophobicContact CG2-CE1 3.99Å; T102-F118 HydrophobicContact CG2-CZ 4Å; F112-F118 HydrophobicContact CB-CD1 4.13Å; F112-F118 HydrophobicContact CB-CE1 3.53Å; F112-F118 HydrophobicContact CB-CZ 4.29Å; F112-F118 HydrophobicContact CD1-CD1 4.36Å; F112-F118 HydrophobicContact CD1-CE1 4.47Å; F112-F118 HydrophobicContact CD2-CE1 4.48Å; F112-F118 HydrophobicContact CG-CD1 4.29Å; F112-F118 AromaticContact CG-CE1 3.95Å; F112-F118 HydrophobicContact CG-CE1 3.95Å; P115-F118 HydrophobicContact CB-CD2 4.28Å; P115-F118 VanDerWaalsContact O-CB 3.3Å; P115-F118 WeakPolarHBondContact O-CB 3.49Å; P115-F118 WeakPolarHBondContact O-CD2 3.25Å; P115-F118 PolarHBondContact O-N 3.32Å; E116-F118 PolarHBondContact O-N 3.33Å; F118-G122 PolarHBondContact O-N 2.94Å; F118-I123 HydrophobicContact CB-CB 4.3Å; F118-I123 HydrophobicContact CD1-CD1 4.12Å; F118-I123 WeakPolarHBondContact O-CA 3.49Å; F118-I123 WeakPolarHBondContact O-CB 3.49Å; F118-I123 PolarHBondContact O-N 3.01Å; F118-L124 HydrophobicContact CB-CB 4.46Å; F118-L124 HydrophobicContact CB-CD1 4.08Å; F118-L124 HydrophobicContact CB-CG 4.4Å; F118-L124 HydrophobicContact CD2-CD1 4.46Å; F118-L124 PolarHBondContact O-N 3.29Å
119V95.8Very high95.1Very high35 Ų3564.2 Ų64.221%0.21235%0.348CS..Hα-helixtrans-72.6-47.9175177.80000110.5E116 F117 A121 G122 L124 E126 L129E116-V119 PolarHBondContact O-N 3.25Å; E116-V119 VanDerWaalsContact O-N 3.14Å; F117-V119 VanDerWaalsContact C-N 3.31Å; V119-A121 PolarHBondContact O-N 3.45Å; V119-G122 PolarHBondContact O-N 3.38Å; V119-L124 WeakPolarHBondContact CA-O 3.3Å; V119-E126 HydrophobicContact CG1-CG 3.62Å; V119-L129 HydrophobicContact CG2-CB 3.9Å; V119-L129 HydrophobicContact CG2-CD2 3.61Å; V119-L129 HydrophobicContact CG2-CG 4.37Å
120A95.3Very high95.1Very high87 Ų8764.5 Ų64.572%0.71935%0.354SS*.Hα-helixtrans-60.2-33.9178.800000112.9E116 G122E116-A120 PolarHBondContact O-N 3.41Å; A120-G122 VanDerWaalsContact C-N 3.28Å; A120-G122 PolarHBondContact O-N 2.98Å
121A94.7Very high95Very high55 Ų5563.3 Ų63.346%0.45535%0.353SS..THydrogen-bonded Turntrans-80.6-3.2175.200000114F112 F117 V119 I123F112-A121 HydrophobicContact CE1-CB 3.91Å; F117-A121 WeakPolarHBondContact O-CB 3.47Å; F117-A121 PolarHBondContact O-N 2.95Å; V119-A121 PolarHBondContact O-N 3.45Å; A121-I123 VanDerWaalsContact C-N 3.3Å; A121-I123 HydrophobicContact CB-CD1 3.89Å; A121-I123 HydrophobicContact CB-CG1 4Å; A121-I123 PolarHBondContact O-N 3.45Å
122G94.3Very high95Very high45 Ų4559.2 Ų59.246%0.46434%0.338SS..THydrogen-bonded Turntrans71.920.7-17800000114.5F118 V119 A120F118-G122 PolarHBondContact O-N 2.94Å; V119-G122 PolarHBondContact O-N 3.38Å; A120-G122 VanDerWaalsContact C-N 3.28Å; A120-G122 PolarHBondContact O-N 2.98Å
123I96.1Very high94.8Very high8 Ų861.9 Ų61.94%0.04136%0.359CS..SBendtrans-78.9-44.3178.2-61.2169.5000109.8R91 S95 V98 F112 F118 A121 W273R91-I123 WeakPolarHBondContact CD-O 3.39Å; R91-I123 WeakPolarHBondContact CG-O 3.34Å; R91-I123 PolarHBondContact NH1-O 3.25Å; S95-I123 WeakPolarHBondContact OG-CG2 3.35Å; S95-I123 PolarHBondContact OG-O 3.1Å; S95-I123 VanDerWaalsContact OG-O 3.07Å; V98-I123 HydrophobicContact CG1-CD1 4.03Å; V98-I123 HydrophobicContact CG2-CD1 4.34Å; F112-I123 HydrophobicContact CD1-CD1 4.31Å; F112-I123 HydrophobicContact CE1-CD1 3.76Å; F112-I123 HydrophobicContact CZ-CD1 3.95Å; F118-I123 HydrophobicContact CB-CB 4.3Å; F118-I123 HydrophobicContact CD1-CD1 4.12Å; F118-I123 WeakPolarHBondContact O-CA 3.49Å; F118-I123 WeakPolarHBondContact O-CB 3.49Å; F118-I123 PolarHBondContact O-N 3.01Å; A121-I123 VanDerWaalsContact C-N 3.3Å; A121-I123 HydrophobicContact CB-CD1 3.89Å; A121-I123 HydrophobicContact CB-CG1 4Å; A121-I123 PolarHBondContact O-N 3.45Å; I123-W273 HydrophobicContact CB-CH2 4.26Å; I123-W273 HydrophobicContact CG1-CH2 3.97Å; I123-W273 HydrophobicContact CG1-CZ3 4.05Å; I123-W273 HydrophobicContact CG2-CH2 4.26Å; I123-W273 HydrophobicContact CG2-CZ3 4.19Å
124L96.3Very high94.8Very high5 Ų565.4 Ų65.43%0.02638%0.379CS..SBendtrans-122.9155.1175.4-67.5170000110.2S95 F118 V119 E128 M132S95-L124 WeakPolarHBondContact OG-CD2 3.49Å; F118-L124 HydrophobicContact CB-CB 4.46Å; F118-L124 HydrophobicContact CB-CD1 4.08Å; F118-L124 HydrophobicContact CB-CG 4.4Å; F118-L124 HydrophobicContact CD2-CD1 4.46Å; F118-L124 PolarHBondContact O-N 3.29Å; V119-L124 WeakPolarHBondContact CA-O 3.3Å; L124-E128 WeakPolarHBondContact CA-OE2 3.37Å; L124-E128 HydrophobicContact CB-CB 4.48Å; L124-E128 HydrophobicContact CD2-CB 4.27Å; L124-E128 WeakPolarHBondContact CD2-OE2 3.3Å; L124-M132 HydrophobicContact CD1-CE 3.31Å; L124-M132 HydrophobicContact CD1-SD 4.46Å
125T96.4Very high94.7Very high58 Ų5864.3 Ų64.336%0.35637%0.373SS..  trans-83.1162.7165.766.10000110.1E127 E128 L129T125-E127 VanDerWaalsContact C-N 3.31Å; T125-E127 PolarHBondContact O-N 3.47Å; T125-E128 PolarHBondContact N-OE2 3.44Å; T125-E128 PolarHBondContact O-N 3.39Å; T125-E128 WeakPolarHBondContact OG1-CB 3.33Å; T125-E128 WeakPolarHBondContact OG1-CG 3.49Å; T125-E128 PolarHBondContact OG1-N 3.01Å; T125-E128 PolarHBondContact OG1-OE1 2.8Å; T125-E128 PolarHBondContact OG1-OE2 2.98Å; T125-L129 PolarHBondContact O-N 3.38Å
126E95.6Very high94.9Very high142 Ų14265 Ų6566%0.66438%0.377SS*.Hα-helixtrans-57.5-46175.5-70.1178.9179.400111.2V119 E128 L129 D130V119-E126 HydrophobicContact CG1-CG 3.62Å; E126-E128 VanDerWaalsContact C-N 3.34Å; E126-E128 PolarHBondContact O-N 3.36Å; E126-L129 PolarHBondContact O-N 3.24Å; E126-L129 VanDerWaalsContact O-N 3.16Å; E126-D130 PolarHBondContact O-N 2.87Å
127E95.8Very high94.8Very high152 Ų15265.5 Ų65.571%0.7138%0.383SS*.Hα-helixtrans-60.2-41.7178.1-61.7179.6178.100112.4T125 D130 I131T125-E127 VanDerWaalsContact C-N 3.31Å; T125-E127 PolarHBondContact O-N 3.47Å; E127-D130 PolarHBondContact O-N 3.11Å; E127-I131 WeakPolarHBondContact O-CD1 3.5Å; E127-I131 VanDerWaalsContact O-CG1 3.27Å; E127-I131 WeakPolarHBondContact O-CG1 3.28Å; E127-I131 PolarHBondContact O-N 3.11Å
128E96.6Very high94.6Very high17 Ų1767.3 Ų67.38%0.07939%0.392CS..Hα-helixtrans-66.1-39.9176.8-72.8158.5-166.900111.7R91 Y92 L124 T125 E126 D130 I131 M132 W147R91-E128 IonicContact CZ-OE1 2.72Å; R91-E128 IonicContact CZ-OE2 3.68Å; R91-E128 IonicContact NH1-OE1 3.84Å; R91-E128 PolarHBondContact NH1-OE1 3Å; R91-E128 IonicContact NH1-OE2 2.61Å; R91-E128 PolarHBondContact NH1-OE2 3.13Å; R91-E128 IonicContact NH2-OE1 2.68Å; R91-E128 PolarHBondContact NH2-OE1 3.12Å; R91-E128 IonicContact NH2-OE2 2.84Å; Y92-E128 HydrophobicContact CE1-CG 4.23Å; Y92-E128 WeakPolarHBondContact CE1-OE1 3.39Å; Y92-E128 PolarHBondContact OH-OE1 3.29Å; L124-E128 WeakPolarHBondContact CA-OE2 3.37Å; L124-E128 HydrophobicContact CB-CB 4.48Å; L124-E128 HydrophobicContact CD2-CB 4.27Å; L124-E128 WeakPolarHBondContact CD2-OE2 3.3Å; T125-E128 PolarHBondContact N-OE2 3.44Å; T125-E128 PolarHBondContact O-N 3.39Å; T125-E128 WeakPolarHBondContact OG1-CB 3.33Å; T125-E128 WeakPolarHBondContact OG1-CG 3.49Å; T125-E128 PolarHBondContact OG1-N 3.01Å; T125-E128 PolarHBondContact OG1-OE1 2.8Å; T125-E128 PolarHBondContact OG1-OE2 2.98Å; E126-E128 VanDerWaalsContact C-N 3.34Å; E126-E128 PolarHBondContact O-N 3.36Å; E128-D130 VanDerWaalsContact C-N 3.35Å; E128-I131 PolarHBondContact O-N 3.36Å; E128-M132 VanDerWaalsContact O-CB 3.29Å; E128-M132 WeakPolarHBondContact O-CB 3.41Å; E128-M132 PolarHBondContact O-N 3.09Å; E128-W147 HydrophobicContact CB-CH2 4.09Å; E128-W147 HydrophobicContact CB-CZ3 3.94Å; E128-W147 HydrophobicContact CG-CH2 4.48Å; E128-W147 HydrophobicContact CG-CZ3 4.08Å; E128-W147 WeakPolarHBondContact O-CH2 3.43Å
129L95.4Very high94.5Very high23 Ų2369.4 Ų69.412%0.1241%0.406CS..Hα-helixtrans-63.7-43.3176.4178.860.2000110.8P115 V119 T125 E126 I131 M132 S133P115-L129 HydrophobicContact CB-CD1 3.62Å; P115-L129 HydrophobicContact CB-CD2 4.22Å; V119-L129 HydrophobicContact CG2-CB 3.9Å; V119-L129 HydrophobicContact CG2-CD2 3.61Å; V119-L129 HydrophobicContact CG2-CG 4.37Å; T125-L129 PolarHBondContact O-N 3.38Å; E126-L129 PolarHBondContact O-N 3.24Å; E126-L129 VanDerWaalsContact O-N 3.16Å; L129-I131 PolarHBondContact O-N 3.29Å; L129-M132 HydrophobicContact CD1-CE 3.96Å; L129-M132 PolarHBondContact O-N 2.91Å; L129-S133 WeakPolarHBondContact O-CB 3.41Å; L129-S133 PolarHBondContact O-N 3.38Å
130D95.1Very high94.4Very high105 Ų10569.4 Ų69.456%0.56140%0.403SS*.Hα-helixtrans-60.1-47.8178.1-74.1-15.9000111.5E126 E127 E128 M132 S133E126-D130 PolarHBondContact O-N 2.87Å; E127-D130 PolarHBondContact O-N 3.11Å; E128-D130 VanDerWaalsContact C-N 3.35Å; D130-M132 VanDerWaalsContact C-N 3.33Å; D130-M132 PolarHBondContact O-N 2.72Å; D130-S133 PolarHBondContact O-N 3.16Å; D130-S133 PolarHBondContact O-OG 3.49Å
131I94.7Very high94.4Very high105 Ų10565.2 Ų65.254%0.53837%0.369SS..Hα-helixtrans-62.5-42177.3-63.7164.5000110.8E127 E128 L129 S133 W147E127-I131 WeakPolarHBondContact O-CD1 3.5Å; E127-I131 VanDerWaalsContact O-CG1 3.27Å; E127-I131 WeakPolarHBondContact O-CG1 3.28Å; E127-I131 PolarHBondContact O-N 3.11Å; E128-I131 PolarHBondContact O-N 3.36Å; L129-I131 PolarHBondContact O-N 3.29Å; I131-S133 VanDerWaalsContact C-N 3.34Å; I131-W147 HydrophobicContact CB-CZ2 4.3Å; I131-W147 HydrophobicContact CG2-CZ2 3.87Å
132M94.1Very high94.5Very high4 Ų464.6 Ų64.62%0.0236%0.356CS..Hα-helixtrans-69.7-31.5179.9-173.3171.958.300112.4M99 L124 E128 L129 D130 V134 S135 Q140 V143 P144 W147M99-M132 HydrophobicContact CE-CE 3.39Å; M99-M132 HydrophobicContact CE-SD 3.96Å; L124-M132 HydrophobicContact CD1-CE 3.31Å; L124-M132 HydrophobicContact CD1-SD 4.46Å; E128-M132 VanDerWaalsContact O-CB 3.29Å; E128-M132 WeakPolarHBondContact O-CB 3.41Å; E128-M132 PolarHBondContact O-N 3.09Å; L129-M132 HydrophobicContact CD1-CE 3.96Å; L129-M132 PolarHBondContact O-N 2.91Å; D130-M132 VanDerWaalsContact C-N 3.33Å; D130-M132 PolarHBondContact O-N 2.72Å; M132-V134 PolarHBondContact O-N 3.49Å; M132-S135 VanDerWaalsContact O-CB 3.29Å; M132-S135 WeakPolarHBondContact O-CB 3.09Å; M132-S135 PolarHBondContact O-N 2.85Å; M132-Q140 HydrophobicContact CG-CB 4.14Å; M132-Q140 HydrophobicContact CG-CG 4.03Å; M132-Q140 HydrophobicContact SD-CB 4.37Å; M132-V143 HydrophobicContact CG-CB 4.4Å; M132-V143 HydrophobicContact CG-CG1 4.42Å; M132-P144 HydrophobicContact SD-CG 4.44Å; M132-W147 HydrophobicContact CB-CH2 4.12Å
133S91.7Very high94.6Very high71 Ų7163.1 Ų63.150%0.49734%0.338SS..Hα-helixtrans-62.6-30.6-179.877.90000112.9L129 D130 I131 S135L129-S133 WeakPolarHBondContact O-CB 3.41Å; L129-S133 PolarHBondContact O-N 3.38Å; D130-S133 PolarHBondContact O-N 3.16Å; D130-S133 PolarHBondContact O-OG 3.49Å; I131-S133 VanDerWaalsContact C-N 3.34Å; S133-S135 VanDerWaalsContact C-N 3.28Å; S133-S135 PolarHBondContact O-N 2.62Å
134V93.9Very high94.7Very high124 Ų12462.9 Ų62.975%0.75234%0.337SS*.THydrogen-bonded Turntrans-73.9-21.6176.4-1780000111.8M132M132-V134 PolarHBondContact O-N 3.49Å
135S92.3Very high94.7Very high32 Ų3262.9 Ų62.922%0.22434%0.337CS..SBendtrans-75.4145.8-178.7-60.40000111.8M132 S133 I137 Q140M132-S135 VanDerWaalsContact O-CB 3.29Å; M132-S135 WeakPolarHBondContact O-CB 3.09Å; M132-S135 PolarHBondContact O-N 2.85Å; S133-S135 VanDerWaalsContact C-N 3.28Å; S133-S135 PolarHBondContact O-N 2.62Å; S135-I137 PolarHBondContact O-N 2.76Å; S135-Q140 PolarHBondContact O-NE2 2.84Å
136P94Very high94.8Very high75 Ų7564.3 Ų64.349%0.48735%0.345SS..  trans-53.4139.1176.2-24.831.6000112.9H138 V139 Q140P136-H138 VanDerWaalsContact CB-CE1 3.48Å; P136-H138 WeakPolarHBondContact CB-CE1 3.32Å; P136-H138 PolarHBondContact O-N 3.3Å; P136-V139 HydrophobicContact CB-CG2 4.09Å; P136-V139 HydrophobicContact CG-CG2 4.25Å; P136-V139 WeakPolarHBondContact O-CG2 3Å; P136-V139 PolarHBondContact O-N 3.31Å; P136-Q140 PolarHBondContact O-N 3.16Å
137I92.1Very high94.9Very high124 Ų12460 Ų6064%0.63632%0.323SS*.THydrogen-bonded Turntrans-52.3-40.9-172.1-62.5170.5000112.5R103 S135 V139 Q140R103-I137 VanDerWaalsContact CZ-O 3.28Å; R103-I137 PolarHBondContact NH1-O 3.2Å; R103-I137 PolarHBondContact NH2-O 3.35Å; S135-I137 PolarHBondContact O-N 2.76Å; I137-V139 VanDerWaalsContact C-N 3.31Å; I137-V139 PolarHBondContact O-N 2.98Å; I137-Q140 PolarHBondContact O-N 3.27Å
138H90.5Very high94.9Very high140 Ų14052.8 Ų52.865%0.64829%0.289SS*.THydrogen-bonded Turntrans-69.6-22.5-177.662-88.5000113.9P136P136-H138 VanDerWaalsContact CB-CE1 3.48Å; P136-H138 WeakPolarHBondContact CB-CE1 3.32Å; P136-H138 PolarHBondContact O-N 3.3Å
139V93.5Very high95Very high51 Ų5153.7 Ų53.731%0.30930%0.296SS..THydrogen-bonded Turntrans-92.6-20.8177.8-58.80000113.6P136 I137 P141 F142 V143P136-V139 HydrophobicContact CB-CG2 4.09Å; P136-V139 HydrophobicContact CG-CG2 4.25Å; P136-V139 WeakPolarHBondContact O-CG2 3Å; P136-V139 PolarHBondContact O-N 3.31Å; I137-V139 VanDerWaalsContact C-N 3.31Å; I137-V139 PolarHBondContact O-N 2.98Å; V139-P141 VanDerWaalsContact C-CD 3.41Å; V139-P141 VanDerWaalsContact O-N 3.16Å; V139-F142 WeakPolarHBondContact O-CA 3.43Å; V139-F142 WeakPolarHBondContact O-CB 3.47Å; V139-F142 PolarHBondContact O-N 3.5Å; V139-V143 HydrophobicContact CG2-CG2 4.28Å; V139-V143 PolarHBondContact O-N 2.87Å
140Q95.1Very high95.1Very high34 Ų3456 Ų5616%0.15931%0.314CS..G310 helixtrans-48.3-44.1-173.6-71.7173.8-12.400114.9M132 S135 P136 I137 F142 V143 P144M132-Q140 HydrophobicContact CG-CB 4.14Å; M132-Q140 HydrophobicContact CG-CG 4.03Å; M132-Q140 HydrophobicContact SD-CB 4.37Å; S135-Q140 PolarHBondContact O-NE2 2.84Å; P136-Q140 PolarHBondContact O-N 3.16Å; I137-Q140 PolarHBondContact O-N 3.27Å; Q140-F142 PolarHBondContact O-N 3.43Å; Q140-F142 VanDerWaalsContact O-N 3.15Å; Q140-V143 PolarHBondContact O-N 2.61Å; Q140-P144 WeakPolarHBondContact O-CD 3.31Å
141P95Very high95.1Very high0 Ų052.2 Ų52.20%029%0.294CS..G310 helixtrans-63.2-23178.4-20.333.3000113.6S96 M99 R103 V139 F185S96-P141 WeakPolarHBondContact CA-O 3.42Å; S96-P141 WeakPolarHBondContact CB-O 3.16Å; S96-P141 PolarHBondContact OG-O 3.12Å; M99-P141 HydrophobicContact CB-CB 4.37Å; M99-P141 HydrophobicContact CG-CB 4.02Å; M99-P141 HydrophobicContact CG-CG 3.95Å; R103-P141 VanDerWaalsContact CZ-CG 3.49Å; R103-P141 VanDerWaalsContact NH1-CD 3.29Å; V139-P141 VanDerWaalsContact C-CD 3.41Å; V139-P141 VanDerWaalsContact O-N 3.16Å; P141-F185 HydrophobicContact CB-CE2 4.15Å; P141-F185 HydrophobicContact CB-CZ 4.33Å; P141-F185 HydrophobicContact CG-CE2 4.11Å; P141-F185 HydrophobicContact CG-CZ 3.87Å
142F96.5Very high95.2Very high41 Ų4147.3 Ų47.318%0.1827%0.269CS..G310 helixtrans-96.7-11.6-178.6-52.6-76.4000113V139 Q140 V145 V146 R178 L181 L182 F185V139-F142 WeakPolarHBondContact O-CA 3.43Å; V139-F142 WeakPolarHBondContact O-CB 3.47Å; V139-F142 PolarHBondContact O-N 3.5Å; Q140-F142 PolarHBondContact O-N 3.43Å; Q140-F142 VanDerWaalsContact O-N 3.15Å; F142-V145 VanDerWaalsContact O-CB 3.32Å; F142-V145 WeakPolarHBondContact O-CB 3.23Å; F142-V145 PolarHBondContact O-N 2.79Å; F142-V145 VanDerWaalsContact O-N 3.16Å; F142-V146 PolarHBondContact O-N 3.23Å; F142-R178 HydrophobicContact CD1-CG 3.82Å; F142-R178 HydrophobicContact CE1-CG 4.31Å; F142-L181 HydrophobicContact CE1-CB 4.07Å; F142-L182 HydrophobicContact CE1-CB 4.32Å; F142-L182 HydrophobicContact CZ-CB 4.43Å; F142-L182 HydrophobicContact CZ-CD1 4.28Å; F142-F185 HydrophobicContact CE2-CD2 4.44Å; F142-F185 HydrophobicContact CE2-CE2 4.34Å; F142-F185 AromaticContact CZ-CD2 3.87Å; F142-F185 HydrophobicContact CZ-CD2 3.87Å; F142-F185 HydrophobicContact CZ-CE2 4.03Å
143V96.8Very high95.3Very high15 Ų1549.5 Ų49.59%0.09128%0.282CS..Hα-helixtrans-58.1-47.4179.6168.90000111.9M132 V139 Q140 V145 V146 W147M132-V143 HydrophobicContact CG-CB 4.4Å; M132-V143 HydrophobicContact CG-CG1 4.42Å; V139-V143 HydrophobicContact CG2-CG2 4.28Å; V139-V143 PolarHBondContact O-N 2.87Å; Q140-V143 PolarHBondContact O-N 2.61Å; V143-V145 VanDerWaalsContact C-N 3.28Å; V143-V145 PolarHBondContact O-N 3.49Å; V143-V146 WeakPolarHBondContact O-CB 3.48Å; V143-V146 PolarHBondContact O-N 3.43Å; V143-V146 VanDerWaalsContact O-N 3.08Å; V143-W147 HydrophobicContact CG1-CD2 3.94Å; V143-W147 HydrophobicContact CG1-CE3 4.4Å; V143-W147 HydrophobicContact CG1-CH2 3.76Å; V143-W147 HydrophobicContact CG1-CZ2 3.22Å; V143-W147 HydrophobicContact CG1-CZ3 4.32Å; V143-W147 PolarHBondContact O-N 3.43Å
144P97Very high95.5Very high2 Ų249.2 Ų49.21%0.01328%0.275CS..Hα-helixtrans-63.7-30.4176.5-21.732.6000113.8Y92 S96 M132 Q140 V146 W147 T148Y92-P144 WeakPolarHBondContact CB-O 3.44Å; Y92-P144 HydrophobicContact CG-CB 4.3Å; Y92-P144 WeakPolarHBondContact O-CB 3.03Å; S96-P144 WeakPolarHBondContact OG-CB 3.49Å; S96-P144 WeakPolarHBondContact OG-CD 3.37Å; M132-P144 HydrophobicContact SD-CG 4.44Å; Q140-P144 WeakPolarHBondContact O-CD 3.31Å; P144-V146 VanDerWaalsContact C-N 3.34Å; P144-V146 PolarHBondContact O-N 3.24Å; P144-W147 HydrophobicContact CB-CE3 4.23Å; P144-W147 HydrophobicContact CG-CE3 4.43Å; P144-W147 HydrophobicContact CG-CZ3 4.42Å; P144-W147 PolarHBondContact O-N 2.99Å; P144-T148 PolarHBondContact O-N 3.42Å; P144-T148 PolarHBondContact O-OG1 3.08Å
145V97.3Very high95.5Very high6 Ų643.4 Ų43.44%0.03624%0.24CC..Hα-helixtrans-60.1-46.4171.9-176.80000110.3S96 F142 V143 W147 T148 T149 I174 R178 L181S96-V145 WeakPolarHBondContact OG-CG2 3.47Å; S96-V145 PolarHBondContact OG-N 3.35Å; F142-V145 VanDerWaalsContact O-CB 3.32Å; F142-V145 WeakPolarHBondContact O-CB 3.23Å; F142-V145 PolarHBondContact O-N 2.79Å; F142-V145 VanDerWaalsContact O-N 3.16Å; V143-V145 VanDerWaalsContact C-N 3.28Å; V143-V145 PolarHBondContact O-N 3.49Å; V145-W147 VanDerWaalsContact C-N 3.32Å; V145-W147 PolarHBondContact O-N 3.37Å; V145-T148 WeakPolarHBondContact O-CB 3.21Å; V145-T148 PolarHBondContact O-N 3.36Å; V145-T148 VanDerWaalsContact O-N 3.14Å; V145-T149 PolarHBondContact O-N 3.2Å; V145-T149 PolarHBondContact O-OG1 2.77Å; V145-I174 HydrophobicContact CG1-CG2 3.45Å; V145-I174 VanDerWaalsContact CG1-CG2 3.45Å; V145-R178 HydrophobicContact CG1-CB 3.83Å; V145-R178 HydrophobicContact CG1-CG 4.11Å; V145-R178 HydrophobicContact CG2-CB 4.42Å; V145-L181 HydrophobicContact CG2-CD1 4.38Å
146V97Very high95.6Very high87 Ų8742.9 Ų42.953%0.52724%0.239SC..Hα-helixtrans-62.1-40.8177.9177.50000111.3F142 V143 P144 T148 T149 S150F142-V146 PolarHBondContact O-N 3.23Å; V143-V146 WeakPolarHBondContact O-CB 3.48Å; V143-V146 PolarHBondContact O-N 3.43Å; V143-V146 VanDerWaalsContact O-N 3.08Å; P144-V146 VanDerWaalsContact C-N 3.34Å; P144-V146 PolarHBondContact O-N 3.24Å; V146-T148 VanDerWaalsContact C-N 3.33Å; V146-T149 PolarHBondContact O-N 3.18Å; V146-S150 WeakPolarHBondContact O-CB 3.44Å; V146-S150 PolarHBondContact O-N 3.2Å; V146-S150 PolarHBondContact O-OG 3.49Å
147W97.9Very high95.6Very high52 Ų5247.4 Ų47.420%0.19725%0.251CS..Hα-helixtrans-63.9-38.2174.6-61.4-21.5000112.4Y92 E128 I131 M132 V143 P144 V145 S150 L151Y92-W147 HydrophobicContact CD1-CE3 4.12Å; Y92-W147 HydrophobicContact CD2-CB 3.55Å; Y92-W147 HydrophobicContact CD2-CE3 4.43Å; Y92-W147 AromaticContact CE1-CE3 3.86Å; Y92-W147 HydrophobicContact CE1-CE3 3.86Å; Y92-W147 HydrophobicContact CE1-CZ3 4.34Å; Y92-W147 HydrophobicContact CE2-CB 3.48Å; Y92-W147 VanDerWaalsContact CE2-CB 3.48Å; Y92-W147 HydrophobicContact CE2-CE3 4.18Å; Y92-W147 HydrophobicContact CE2-CG 4.35Å; Y92-W147 HydrophobicContact CG-CB 4.41Å; Y92-W147 HydrophobicContact CG-CE3 4.4Å; Y92-W147 AromaticContact CZ-CE3 3.88Å; E128-W147 HydrophobicContact CB-CH2 4.09Å; E128-W147 HydrophobicContact CB-CZ3 3.94Å; E128-W147 HydrophobicContact CG-CH2 4.48Å; E128-W147 HydrophobicContact CG-CZ3 4.08Å; E128-W147 WeakPolarHBondContact O-CH2 3.43Å; I131-W147 HydrophobicContact CB-CZ2 4.3Å; I131-W147 HydrophobicContact CG2-CZ2 3.87Å; M132-W147 HydrophobicContact CB-CH2 4.12Å; V143-W147 HydrophobicContact CG1-CD2 3.94Å; V143-W147 HydrophobicContact CG1-CE3 4.4Å; V143-W147 HydrophobicContact CG1-CH2 3.76Å; V143-W147 HydrophobicContact CG1-CZ2 3.22Å; V143-W147 HydrophobicContact CG1-CZ3 4.32Å; V143-W147 PolarHBondContact O-N 3.43Å; P144-W147 HydrophobicContact CB-CE3 4.23Å; P144-W147 HydrophobicContact CG-CE3 4.43Å; P144-W147 HydrophobicContact CG-CZ3 4.42Å; P144-W147 PolarHBondContact O-N 2.99Å; V145-W147 VanDerWaalsContact C-N 3.32Å; V145-W147 PolarHBondContact O-N 3.37Å; W147-S150 PolarHBondContact O-N 2.88Å; W147-L151 WeakPolarHBondContact O-CB 3.19Å; W147-L151 PolarHBondContact O-N 3.37Å
148T97.5Very high95.7Very high0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-61.4-49.3175.6-53.50000110.6F67 C89 Y92 M93 P144 V145 V146 S150 L151 V152 I174F67-T148 HydrophobicContact CE2-CG2 4.2Å; F67-T148 HydrophobicContact CZ-CG2 3.73Å; C89-T148 HydrophobicContact CB-CG2 3.99Å; Y92-T148 WeakPolarHBondContact CB-OG1 3.39Å; M93-T148 HydrophobicContact CG-CG2 3.84Å; M93-T148 HydrophobicContact SD-CG2 4.08Å; P144-T148 PolarHBondContact O-N 3.42Å; P144-T148 PolarHBondContact O-OG1 3.08Å; V145-T148 WeakPolarHBondContact O-CB 3.21Å; V145-T148 PolarHBondContact O-N 3.36Å; V145-T148 VanDerWaalsContact O-N 3.14Å; V146-T148 VanDerWaalsContact C-N 3.33Å; T148-S150 VanDerWaalsContact C-N 3.29Å; T148-S150 PolarHBondContact O-N 2.89Å; T148-L151 PolarHBondContact O-N 3.15Å; T148-V152 HydrophobicContact CG2-CG2 4.48Å; T148-V152 WeakPolarHBondContact O-CB 3.29Å; T148-V152 WeakPolarHBondContact O-CG2 3.45Å; T148-V152 PolarHBondContact O-N 3.19Å; T148-I174 HydrophobicContact CG2-CD1 3.74Å; T148-I174 HydrophobicContact CG2-CG1 4.15Å
149T97.4Very high95.7Very high36 Ų3640.7 Ų40.722%0.22123%0.23CC..Hα-helixtrans-59.4-40.9176.7-55.80000111.9V145 V146 T153 I171V145-T149 PolarHBondContact O-N 3.2Å; V145-T149 PolarHBondContact O-OG1 2.77Å; V146-T149 PolarHBondContact O-N 3.18Å; T149-T153 WeakPolarHBondContact O-CB 3.31Å; T149-T153 PolarHBondContact O-N 3.25Å; T149-T153 PolarHBondContact O-OG1 3.41Å; T149-I171 HydrophobicContact CG2-CG1 4.49Å
150S97.1Very high95.7Very high71 Ų7140.8 Ų40.850%0.49723%0.226SC..Hα-helixtrans-65.2-41.8177.7-57.50000111.9V146 W147 T148 T153 L154V146-S150 WeakPolarHBondContact O-CB 3.44Å; V146-S150 PolarHBondContact O-N 3.2Å; V146-S150 PolarHBondContact O-OG 3.49Å; W147-S150 PolarHBondContact O-N 2.88Å; T148-S150 VanDerWaalsContact C-N 3.29Å; T148-S150 PolarHBondContact O-N 2.89Å; S150-T153 PolarHBondContact O-N 3.05Å; S150-L154 WeakPolarHBondContact O-CB 3.41Å; S150-L154 PolarHBondContact O-N 3.49Å
151L96.6Very high95.5Very high26 Ų2639.7 Ų39.714%0.13622%0.221CC..Hα-helixtrans-70.9-39.3179.8-173.456.8000112.2M85 T88 C89 W147 T148 L154 A155M85-L151 HydrophobicContact CG-CD1 4.09Å; T88-L151 HydrophobicContact CG2-CD2 3.64Å; C89-L151 VanDerWaalsContact SG-CD2 3.5Å; W147-L151 WeakPolarHBondContact O-CB 3.19Å; W147-L151 PolarHBondContact O-N 3.37Å; T148-L151 PolarHBondContact O-N 3.15Å; L151-L154 HydrophobicContact CD1-CD2 4.29Å; L151-L154 WeakPolarHBondContact O-CB 3.39Å; L151-L154 PolarHBondContact O-N 3.33Å; L151-A155 PolarHBondContact O-N 3.27Å
152V95.9Very high95.2Very high2 Ų246 Ų461%0.01226%0.259CS..Hα-helixtrans-64.5-41.2173.1167.20000111T148 L154 A155 G156 I161 L167 I170 I171 I174T148-V152 HydrophobicContact CG2-CG2 4.48Å; T148-V152 WeakPolarHBondContact O-CB 3.29Å; T148-V152 WeakPolarHBondContact O-CG2 3.45Å; T148-V152 PolarHBondContact O-N 3.19Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 3.03Å; V152-A155 WeakPolarHBondContact O-CB 3.44Å; V152-A155 PolarHBondContact O-N 3.31Å; V152-G156 PolarHBondContact O-N 3.23Å; V152-I161 HydrophobicContact CG1-CD1 4.22Å; V152-L167 HydrophobicContact CG1-CD1 3.51Å; V152-I170 HydrophobicContact CG1-CB 4.22Å; V152-I170 HydrophobicContact CG1-CD1 4.43Å; V152-I170 HydrophobicContact CG1-CG2 3.79Å; V152-I170 HydrophobicContact CG2-CG2 3.97Å; V152-I171 HydrophobicContact CG1-CG1 4.41Å; V152-I174 HydrophobicContact CG2-CD1 4.11Å
153T95.8Very high95Very high50 Ų5048.1 Ų48.131%0.30727%0.273SS..Hα-helixtrans-63.6-39.9174.3-56.80000111.5T149 S150 A155 G156 K157T149-T153 WeakPolarHBondContact O-CB 3.31Å; T149-T153 PolarHBondContact O-N 3.25Å; T149-T153 PolarHBondContact O-OG1 3.41Å; S150-T153 PolarHBondContact O-N 3.05Å; T153-A155 VanDerWaalsContact C-N 3.35Å; T153-G156 PolarHBondContact O-N 3.46Å; T153-K157 WeakPolarHBondContact O-CG 3.44Å; T153-K157 PolarHBondContact O-N 3.25Å; T153-K157 VanDerWaalsContact O-N 3.08Å
154L96Very high94.8Very high66 Ų6653.6 Ų53.635%0.34630%0.297SS..Hα-helixtrans-63-41.7173.9179.563.6000111.4M85 S150 L151 V152 G156 K157 E158M85-L154 HydrophobicContact CE-CD2 4.35Å; M85-L154 HydrophobicContact CE-CG 4.22Å; S150-L154 WeakPolarHBondContact O-CB 3.41Å; S150-L154 PolarHBondContact O-N 3.49Å; L151-L154 HydrophobicContact CD1-CD2 4.29Å; L151-L154 WeakPolarHBondContact O-CB 3.39Å; L151-L154 PolarHBondContact O-N 3.33Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 3.03Å; L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 2.88Å; L154-K157 CarbonylContact O-C 3.3Å; L154-K157 WeakPolarHBondContact O-CB 3.46Å; L154-K157 PolarHBondContact O-N 3.14Å; L154-E158 HydrophobicContact CD1-CG 4.23Å; L154-E158 HydrophobicContact CG-CG 4.38Å; L154-E158 WeakPolarHBondContact CG-OE1 3.46Å; L154-E158 PolarHBondContact O-N 3.01Å
155A94.7Very high94.6Very high1 Ų160.7 Ų60.71%0.00833%0.33CS..Hα-helixtrans-61.9-35.6176.500000112.9L75 M85 L151 V152 T153 G159 F160 I161L75-A155 HydrophobicContact CD1-CB 3.71Å; L75-A155 HydrophobicContact CD2-CB 4.38Å; M85-A155 HydrophobicContact CE-CB 4.22Å; M85-A155 HydrophobicContact SD-CB 3.56Å; M85-A155 VanDerWaalsContact SD-CB 3.56Å; L151-A155 PolarHBondContact O-N 3.27Å; V152-A155 WeakPolarHBondContact O-CB 3.44Å; V152-A155 PolarHBondContact O-N 3.31Å; T153-A155 VanDerWaalsContact C-N 3.35Å; A155-G159 PolarHBondContact O-N 3.43Å; A155-F160 PolarHBondContact O-N 3.02Å; A155-I161 HydrophobicContact CB-CD1 4.07Å; A155-I161 HydrophobicContact CB-CG1 4.43Å; A155-I161 PolarHBondContact O-N 3.21Å
156G94.1Very high94.5Very high21 Ų2160.7 Ų60.722%0.21633%0.33CS..Hα-helixtrans-64.2-42.717000000112.7V152 T153 L154 G159V152-G156 PolarHBondContact O-N 3.23Å; T153-G156 PolarHBondContact O-N 3.46Å; L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 2.88Å; G156-G159 PolarHBondContact O-N 3.4Å
157K94.1Very high94.4Very high170 Ų17057.7 Ų57.774%0.73931%0.311SS*.Hα-helixtrans-67.4-36.1176.6-69.9178.8179.9179.80113.4T153 L154 G159T153-K157 WeakPolarHBondContact O-CG 3.44Å; T153-K157 PolarHBondContact O-N 3.25Å; T153-K157 VanDerWaalsContact O-N 3.08Å; L154-K157 CarbonylContact O-C 3.3Å; L154-K157 WeakPolarHBondContact O-CB 3.46Å; L154-K157 PolarHBondContact O-N 3.14Å; K157-G159 PolarHBondContact O-N 3.15Å
158E93.8Very high94.3Very high80 Ų8058.1 Ų58.137%0.37432%0.319SS..THydrogen-bonded Turntrans-74.1-1.4175-70.7-177.2-154.400112.3R81 M85 L154 F160R81-E158 IonicContact CZ-OE1 3.22Å; R81-E158 IonicContact CZ-OE2 3.44Å; R81-E158 IonicContact NE-OE1 2.72Å; R81-E158 IonicContact NE-OE2 2.71Å; R81-E158 PolarHBondContact NE-OE2 3.06Å; R81-E158 VanDerWaalsContact NE-OE2 3.09Å; R81-E158 IonicContact NH2-OE1 2.81Å; R81-E158 PolarHBondContact NH2-OE1 2.98Å; R81-E158 IonicContact NH2-OE2 3.3Å; M85-E158 HydrophobicContact CE-CG 4.38Å; M85-E158 WeakPolarHBondContact CE-OE1 3.43Å; M85-E158 WeakPolarHBondContact CE-OE2 3.27Å; L154-E158 HydrophobicContact CD1-CG 4.23Å; L154-E158 HydrophobicContact CG-CG 4.38Å; L154-E158 WeakPolarHBondContact CG-OE1 3.46Å; L154-E158 PolarHBondContact O-N 3.01Å; E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 HydrophobicContact CB-CD2 3.77Å; E158-F160 HydrophobicContact CB-CE2 3.84Å; E158-F160 PolarHBondContact O-N 3.42Å; E158-F160 VanDerWaalsContact OE2-CE2 3.3Å; E158-F160 WeakPolarHBondContact OE2-CE2 3.28Å
159G91.6Very high94.2Very high44 Ų4460.4 Ų60.445%0.45434%0.335SS..THydrogen-bonded Turntrans78.89.1175.300000114.6A155 G156 K157A155-G159 PolarHBondContact O-N 3.43Å; G156-G159 PolarHBondContact O-N 3.4Å; K157-G159 PolarHBondContact O-N 3.15Å
160F92.1Very high94.1Very high53 Ų5358.7 Ų58.723%0.23233%0.325CS..SBendtrans-72.5-32174.7-65.1-67.2000112.5L75 R81 A82 M85 A155 E158L75-F160 HydrophobicContact CD1-CB 3.29Å; L75-F160 HydrophobicContact CD1-CG 4.1Å; R81-F160 HydrophobicContact CB-CE2 4.42Å; R81-F160 HydrophobicContact CB-CZ 3.91Å; R81-F160 HydrophobicContact CG-CE2 3.65Å; R81-F160 HydrophobicContact CG-CZ 3.61Å; A82-F160 HydrophobicContact CB-CD1 4.2Å; A82-F160 HydrophobicContact CB-CE1 4.19Å; M85-F160 HydrophobicContact CE-CD2 4.19Å; M85-F160 HydrophobicContact CE-CE2 4.08Å; M85-F160 HydrophobicContact SD-CD2 3.79Å; M85-F160 HydrophobicContact SD-CE2 3.97Å; A155-F160 PolarHBondContact O-N 3.02Å; E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 HydrophobicContact CB-CD2 3.77Å; E158-F160 HydrophobicContact CB-CE2 3.84Å; E158-F160 PolarHBondContact O-N 3.42Å; E158-F160 VanDerWaalsContact OE2-CE2 3.3Å; E158-F160 WeakPolarHBondContact OE2-CE2 3.28Å
161I91.7Very high94.1Very high11 Ų1157.1 Ų57.16%0.05631%0.31CS..  trans-106.397.9173.2-54.3169.8000107.3L75 V152 A155 A166 L167 I170L75-I161 HydrophobicContact CD1-CD1 4.28Å; L75-I161 HydrophobicContact CD1-CG1 3.8Å; V152-I161 HydrophobicContact CG1-CD1 4.22Å; A155-I161 HydrophobicContact CB-CD1 4.07Å; A155-I161 HydrophobicContact CB-CG1 4.43Å; A155-I161 PolarHBondContact O-N 3.21Å; I161-A166 HydrophobicContact CG2-CB 4.13Å; I161-L167 HydrophobicContact CD1-CD1 4.13Å; I161-L167 HydrophobicContact CG2-CB 4.15Å; I161-I170 HydrophobicContact CD1-CD1 3.82Å
162T88.3Confident94Very high131 Ų13159.8 Ų59.880%0.80433%0.325SS*.  trans-78.3-35.6-175.553.90000112.6
163N91.6Very high94Very high86 Ų8661.9 Ų61.946%0.4633%0.334SS..  trans-85.7118.6-178.9-174.5-8.1000111.2H165 A166 L167N163-H165 VanDerWaalsContact C-N 3.29Å; N163-H165 PolarHBondContact O-N 2.87Å; N163-H165 WeakPolarHBondContact OD1-CB 3.42Å; N163-H165 PolarHBondContact OD1-N 3.48Å; N163-A166 HydrophobicContact CB-CB 4.02Å; N163-A166 WeakPolarHBondContact O-CB 3.46Å; N163-A166 PolarHBondContact O-N 3Å; N163-A166 VanDerWaalsContact O-N 3.15Å; N163-L167 PolarHBondContact O-N 3.17Å
164H92.6Very high94.1Very high131 Ų13159.5 Ų59.561%0.60632%0.32SS*.Hα-helixtrans-62.2-34.3177.9-170.171.5000113.1A166 L167 V168H164-A166 VanDerWaalsContact C-N 3.3Å; H164-A166 PolarHBondContact O-N 3.46Å; H164-L167 WeakPolarHBondContact O-CB 3.44Å; H164-L167 PolarHBondContact O-N 3Å; H164-V168 WeakPolarHBondContact O-CG2 3.48Å; H164-V168 PolarHBondContact O-N 2.83Å; H164-V168 VanDerWaalsContact O-N 3.09Å
165H94.4Very high94.1Very high151 Ų15159.7 Ų59.770%0.69932%0.321SS*.Hα-helixtrans-65.7-34.4176.2-69.1-76.8000112.3N163 V168 S169N163-H165 VanDerWaalsContact C-N 3.29Å; N163-H165 PolarHBondContact O-N 2.87Å; N163-H165 WeakPolarHBondContact OD1-CB 3.42Å; N163-H165 PolarHBondContact OD1-N 3.48Å; H165-V168 PolarHBondContact O-N 3.39Å; H165-S169 WeakPolarHBondContact O-CB 3.23Å; H165-S169 PolarHBondContact O-N 2.83Å
166A93.8Very high94.2Very high5 Ų564.2 Ų64.24%0.04135%0.345CS..Hα-helixtrans-65.4-41.3174.400000111.3H74 I161 N163 H164 V168 S169 I170H74-A166 HydrophobicContact CB-CB 4.08Å; H74-A166 WeakPolarHBondContact ND1-CB 3.38Å; I161-A166 HydrophobicContact CG2-CB 4.13Å; N163-A166 HydrophobicContact CB-CB 4.02Å; N163-A166 WeakPolarHBondContact O-CB 3.46Å; N163-A166 PolarHBondContact O-N 3Å; N163-A166 VanDerWaalsContact O-N 3.15Å; H164-A166 VanDerWaalsContact C-N 3.3Å; H164-A166 PolarHBondContact O-N 3.46Å; A166-V168 PolarHBondContact O-N 3.38Å; A166-S169 PolarHBondContact O-N 2.84Å; A166-I170 VanDerWaalsContact O-CG1 3.29Å; A166-I170 WeakPolarHBondContact O-CG1 3.26Å; A166-I170 PolarHBondContact O-N 3.2Å
167L95.2Very high94.4Very high25 Ų2563.7 Ų63.713%0.13134%0.337CS..Hα-helixtrans-59.1-48.2175.4-179.866.3000111.6V152 I161 N163 H164 I170 I171V152-L167 HydrophobicContact CG1-CD1 3.51Å; I161-L167 HydrophobicContact CD1-CD1 4.13Å; I161-L167 HydrophobicContact CG2-CB 4.15Å; N163-L167 PolarHBondContact O-N 3.17Å; H164-L167 WeakPolarHBondContact O-CB 3.44Å; H164-L167 PolarHBondContact O-N 3Å; L167-I170 PolarHBondContact O-N 3.21Å; L167-I171 HydrophobicContact CD1-CD1 4.26Å; L167-I171 HydrophobicContact CG-CD1 4.09Å; L167-I171 WeakPolarHBondContact O-CG1 3.1Å; L167-I171 PolarHBondContact O-N 3.08Å; L167-I171 VanDerWaalsContact O-N 3.11Å
168V95.6Very high94.5Very high60 Ų6058.6 Ų58.636%0.36431%0.313SS..Hα-helixtrans-60.7-45.3177.1175.40000110.8H164 H165 A166 I170 I171 D172H164-V168 WeakPolarHBondContact O-CG2 3.48Å; H164-V168 PolarHBondContact O-N 2.83Å; H164-V168 VanDerWaalsContact O-N 3.09Å; H165-V168 PolarHBondContact O-N 3.39Å; A166-V168 PolarHBondContact O-N 3.38Å; V168-I170 VanDerWaalsContact C-N 3.35Å; V168-I170 PolarHBondContact O-N 3.21Å; V168-I171 PolarHBondContact O-N 2.84Å; V168-I171 VanDerWaalsContact O-N 3.11Å; V168-D172 PolarHBondContact O-N 3.46Å
169S95.4Very high94.6Very high48 Ų4858.2 Ų58.234%0.33631%0.312SS..Hα-helixtrans-59.3-41.5178.5179.90000112.9H165 A166 D172 E173H165-S169 WeakPolarHBondContact O-CB 3.23Å; H165-S169 PolarHBondContact O-N 2.83Å; A166-S169 PolarHBondContact O-N 2.84Å; S169-D172 PolarHBondContact O-N 3.33Å; S169-E173 WeakPolarHBondContact O-CG 3.45Å; S169-E173 PolarHBondContact O-N 3.27Å; S169-E173 VanDerWaalsContact O-N 3.1Å
170I95.8Very high94.8Very high0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-64.2-43175.5-62.3160.9000110.6F67 S70 H74 V152 I161 A166 L167 V168 D172 E173 I174F67-I170 HydrophobicContact CD2-CG2 4.33Å; F67-I170 HydrophobicContact CE2-CG2 3.82Å; S70-I170 VanDerWaalsContact OG-CG1 3.3Å; S70-I170 WeakPolarHBondContact OG-CG1 3.48Å; H74-I170 HydrophobicContact CB-CD1 3.75Å; H74-I170 HydrophobicContact CB-CG1 4.45Å; V152-I170 HydrophobicContact CG1-CB 4.22Å; V152-I170 HydrophobicContact CG1-CD1 4.43Å; V152-I170 HydrophobicContact CG1-CG2 3.79Å; V152-I170 HydrophobicContact CG2-CG2 3.97Å; I161-I170 HydrophobicContact CD1-CD1 3.82Å; A166-I170 VanDerWaalsContact O-CG1 3.29Å; A166-I170 WeakPolarHBondContact O-CG1 3.26Å; A166-I170 PolarHBondContact O-N 3.2Å; L167-I170 PolarHBondContact O-N 3.21Å; V168-I170 VanDerWaalsContact C-N 3.35Å; V168-I170 PolarHBondContact O-N 3.21Å; I170-D172 VanDerWaalsContact C-N 3.31Å; I170-D172 PolarHBondContact O-N 3.06Å; I170-E173 PolarHBondContact O-N 3.36Å; I170-I174 HydrophobicContact CG2-CD1 4.1Å; I170-I174 WeakPolarHBondContact O-CG1 3.48Å; I170-I174 PolarHBondContact O-N 3.2Å
171I96.3Very high95Very high38 Ų3854 Ų5420%0.19528%0.283CS..Hα-helixtrans-63.7-38.8179.1-68.1169.4000110.9T149 V152 L167 V168 I174 N175T149-I171 HydrophobicContact CG2-CG1 4.49Å; V152-I171 HydrophobicContact CG1-CG1 4.41Å; L167-I171 HydrophobicContact CD1-CD1 4.26Å; L167-I171 HydrophobicContact CG-CD1 4.09Å; L167-I171 WeakPolarHBondContact O-CG1 3.1Å; L167-I171 PolarHBondContact O-N 3.08Å; L167-I171 VanDerWaalsContact O-N 3.11Å; V168-I171 PolarHBondContact O-N 2.84Å; V168-I171 VanDerWaalsContact O-N 3.11Å; I171-I174 WeakPolarHBondContact O-CB 3.36Å; I171-I174 PolarHBondContact O-N 2.97Å; I171-N175 PolarHBondContact O-N 2.89Å; I171-N175 PolarHBondContact O-ND2 2.76Å
172D96.3Very high95.2Very high82 Ų8255.9 Ų55.944%0.43929%0.293SS..Hα-helixtrans-62.7-42174.9-71.6-22000111.6V168 S169 I170 I174 N175 N176V168-D172 PolarHBondContact O-N 3.46Å; S169-D172 PolarHBondContact O-N 3.33Å; I170-D172 VanDerWaalsContact C-N 3.31Å; I170-D172 PolarHBondContact O-N 3.06Å; D172-I174 VanDerWaalsContact C-N 3.34Å; D172-I174 PolarHBondContact O-N 3.38Å; D172-N175 PolarHBondContact O-N 2.94Å; D172-N176 WeakPolarHBondContact O-CB 3.42Å; D172-N176 VanDerWaalsContact O-CG 3.23Å; D172-N176 PolarHBondContact O-N 3.47Å; D172-N176 PolarHBondContact O-ND2 3.02Å
173E95.9Very high95.5Very high46 Ų4651.8 Ų51.822%0.21527%0.266CS..Hα-helixtrans-63.3-38.3174-68.8-58.4147.300112.4K66 S169 I170 N176 F177K66-E173 VanDerWaalsContact CB-OE2 3.28Å; K66-E173 WeakPolarHBondContact CB-OE2 3.41Å; K66-E173 WeakPolarHBondContact CD-OE2 3.49Å; S169-E173 WeakPolarHBondContact O-CG 3.45Å; S169-E173 PolarHBondContact O-N 3.27Å; S169-E173 VanDerWaalsContact O-N 3.1Å; I170-E173 PolarHBondContact O-N 3.36Å; E173-N176 PolarHBondContact O-N 3.01Å; E173-F177 WeakPolarHBondContact O-CB 3.4Å; E173-F177 PolarHBondContact O-N 3.49Å
174I97.2Very high95.6Very high0 Ų047.7 Ų47.70%024%0.244CC..Hα-helixtrans-63-43.9173.6-64.8165.1000110.7F67 M93 V145 T148 V152 I170 I171 D172 F177 R178F67-I174 HydrophobicContact CD2-CG1 3.8Å; F67-I174 HydrophobicContact CE2-CD1 3.87Å; F67-I174 HydrophobicContact CE2-CG1 3.48Å; F67-I174 VanDerWaalsContact CE2-CG1 3.48Å; F67-I174 HydrophobicContact CZ-CG1 4.42Å; M93-I174 HydrophobicContact CE-CG1 4.44Å; M93-I174 HydrophobicContact SD-CG1 4.33Å; M93-I174 HydrophobicContact SD-CG2 4.09Å; V145-I174 HydrophobicContact CG1-CG2 3.45Å; V145-I174 VanDerWaalsContact CG1-CG2 3.45Å; T148-I174 HydrophobicContact CG2-CD1 3.74Å; T148-I174 HydrophobicContact CG2-CG1 4.15Å; V152-I174 HydrophobicContact CG2-CD1 4.11Å; I170-I174 HydrophobicContact CG2-CD1 4.1Å; I170-I174 WeakPolarHBondContact O-CG1 3.48Å; I170-I174 PolarHBondContact O-N 3.2Å; I171-I174 WeakPolarHBondContact O-CB 3.36Å; I171-I174 PolarHBondContact O-N 2.97Å; D172-I174 VanDerWaalsContact C-N 3.34Å; D172-I174 PolarHBondContact O-N 3.38Å; I174-F177 PolarHBondContact O-N 3.14Å; I174-R178 WeakPolarHBondContact O-CB 3.27Å; I174-R178 PolarHBondContact O-N 3.37Å
175N96.7Very high95.7Very high70 Ų7043.4 Ų43.437%0.37422%0.224SC..Hα-helixtrans-66.1-39179.1-76.9-35.6000112.4I171 D172 R178 Q179I171-N175 PolarHBondContact O-N 2.89Å; I171-N175 PolarHBondContact O-ND2 2.76Å; D172-N175 PolarHBondContact O-N 2.94Å; N175-R178 PolarHBondContact O-N 3.17Å; N175-Q179 PolarHBondContact O-N 3.49Å
176N96.2Very high95.7Very high97 Ų9740.4 Ų40.452%0.51921%0.211SC..Hα-helixtrans-62.7-45.4174.5-73.7-27000111.3D172 E173 R178 Q179 G180D172-N176 WeakPolarHBondContact O-CB 3.42Å; D172-N176 VanDerWaalsContact O-CG 3.23Å; D172-N176 PolarHBondContact O-N 3.47Å; D172-N176 PolarHBondContact O-ND2 3.02Å; E173-N176 PolarHBondContact O-N 3.01Å; N176-R178 PolarHBondContact O-N 3.34Å; N176-Q179 WeakPolarHBondContact O-CB 3.04Å; N176-Q179 PolarHBondContact O-N 3.27Å; N176-G180 PolarHBondContact O-N 3.2Å
177F96.9Very high95.6Very high9 Ų940.9 Ų40.94%0.03921%0.213CC..Hα-helixtrans-59.5-46.4174.9-178.7-89.7000111.9P62 V64 M93 L97 E173 I174 Q179 G180 L181P62-F177 HydrophobicContact CB-CD2 3.55Å; P62-F177 HydrophobicContact CB-CE2 3.86Å; P62-F177 HydrophobicContact CB-CG 4.04Å; P62-F177 HydrophobicContact CG-CD2 4.1Å; P62-F177 HydrophobicContact CG-CE2 3.96Å; P62-F177 HydrophobicContact CG-CZ 4.32Å; V64-F177 HydrophobicContact CB-CE2 4.45Å; M93-F177 HydrophobicContact CB-CE1 4.34Å; M93-F177 HydrophobicContact CB-CZ 4.32Å; M93-F177 HydrophobicContact CE-CB 3.43Å; M93-F177 VanDerWaalsContact CE-CB 3.43Å; M93-F177 HydrophobicContact CE-CD1 3.32Å; M93-F177 HydrophobicContact CE-CD2 3.71Å; M93-F177 HydrophobicContact CE-CE1 3.88Å; M93-F177 HydrophobicContact CE-CE2 4.26Å; M93-F177 HydrophobicContact CE-CG 3.2Å; M93-F177 HydrophobicContact CE-CZ 4.31Å; M93-F177 VanDerWaalsContact O-CE1 3.3Å; M93-F177 WeakPolarHBondContact O-CE1 3.34Å; M93-F177 WeakPolarHBondContact O-CZ 3.47Å; M93-F177 HydrophobicContact SD-CD1 3.94Å; M93-F177 HydrophobicContact SD-CE1 4.21Å; M93-F177 HydrophobicContact SD-CG 4.41Å; L97-F177 HydrophobicContact CB-CZ 3.92Å; E173-F177 WeakPolarHBondContact O-CB 3.4Å; E173-F177 PolarHBondContact O-N 3.49Å; I174-F177 PolarHBondContact O-N 3.14Å; F177-Q179 VanDerWaalsContact C-N 3.31Å; F177-Q179 PolarHBondContact O-N 2.97Å; F177-G180 PolarHBondContact O-N 2.76Å; F177-G180 VanDerWaalsContact O-N 3.15Å; F177-L181 HydrophobicContact CD1-CD1 3.98Å; F177-L181 HydrophobicContact CD1-CG 4.26Å; F177-L181 HydrophobicContact CE1-CD1 3.63Å; F177-L181 HydrophobicContact CE1-CD2 4.39Å; F177-L181 HydrophobicContact CE1-CG 4.08Å; F177-L181 PolarHBondContact O-N 3.14Å
178R96.2Very high95.4Very high63 Ų6343.1 Ų43.124%0.23823%0.225CC..Hα-helixtrans-63.1-35.5176.2-178-124.649.589.4-6.1112.5F142 V145 I174 N175 N176 G180 L181 L182F142-R178 HydrophobicContact CD1-CG 3.82Å; F142-R178 HydrophobicContact CE1-CG 4.31Å; V145-R178 HydrophobicContact CG1-CB 3.83Å; V145-R178 HydrophobicContact CG1-CG 4.11Å; V145-R178 HydrophobicContact CG2-CB 4.42Å; I174-R178 WeakPolarHBondContact O-CB 3.27Å; I174-R178 PolarHBondContact O-N 3.37Å; N175-R178 PolarHBondContact O-N 3.17Å; N176-R178 PolarHBondContact O-N 3.34Å; R178-G180 VanDerWaalsContact C-N 3.35Å; R178-L181 PolarHBondContact O-N 3.1Å; R178-L182 VanDerWaalsContact NH1-CD2 3.31Å; R178-L182 PolarHBondContact O-N 3.41Å
179Q96.3Very high95.2Very high73 Ų7348.1 Ų48.134%0.34124%0.242SC..Hα-helixtrans-62.3-44.4173-174.461.548.700110.6N175 N176 F177 L181 L182 D183N175-Q179 PolarHBondContact O-N 3.49Å; N176-Q179 WeakPolarHBondContact O-CB 3.04Å; N176-Q179 PolarHBondContact O-N 3.27Å; F177-Q179 VanDerWaalsContact C-N 3.31Å; F177-Q179 PolarHBondContact O-N 2.97Å; Q179-L181 PolarHBondContact O-N 3.26Å; Q179-L182 PolarHBondContact O-N 3.42Å; Q179-D183 PolarHBondContact NE2-OD1 2.84Å; Q179-D183 PolarHBondContact NE2-OD2 3.39Å; Q179-D183 WeakPolarHBondContact O-CB 3.31Å; Q179-D183 VanDerWaalsContact O-CG 3.28Å; Q179-D183 PolarHBondContact O-N 2.98Å
180G96.2Very high95Very high8 Ų850 Ų508%0.08225%0.252CS..Hα-helixtrans-55.8-47.9173.800000112.6T60 N176 F177 R178 L182 D183 M184T60-G180 VanDerWaalsContact CG2-O 3.27Å; T60-G180 WeakPolarHBondContact CG2-O 3.39Å; T60-G180 WeakPolarHBondContact O-CA 3.48Å; N176-G180 PolarHBondContact O-N 3.2Å; F177-G180 PolarHBondContact O-N 2.76Å; F177-G180 VanDerWaalsContact O-N 3.15Å; R178-G180 VanDerWaalsContact C-N 3.35Å; G180-L182 PolarHBondContact O-N 3.12Å; G180-D183 PolarHBondContact O-N 3.26Å; G180-M184 WeakPolarHBondContact O-CG 3.49Å; G180-M184 PolarHBondContact O-N 3.26Å
181L96.4Very high94.6Very high0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-60-43.3176.1-62.5-179.4000112.9P62 L97 T100 F142 V145 F177 R178 Q179 M184 F185P62-L181 HydrophobicContact CG-CD2 3.55Å; P62-L181 HydrophobicContact CG-CG 4.02Å; L97-L181 HydrophobicContact CB-CD2 4.42Å; L97-L181 HydrophobicContact CD1-CD2 4Å; T100-L181 HydrophobicContact CG2-CB 4.44Å; T100-L181 HydrophobicContact CG2-CD2 4.03Å; F142-L181 HydrophobicContact CE1-CB 4.07Å; V145-L181 HydrophobicContact CG2-CD1 4.38Å; F177-L181 HydrophobicContact CD1-CD1 3.98Å; F177-L181 HydrophobicContact CD1-CG 4.26Å; F177-L181 HydrophobicContact CE1-CD1 3.63Å; F177-L181 HydrophobicContact CE1-CD2 4.39Å; F177-L181 HydrophobicContact CE1-CG 4.08Å; F177-L181 PolarHBondContact O-N 3.14Å; R178-L181 PolarHBondContact O-N 3.1Å; Q179-L181 PolarHBondContact O-N 3.26Å; L181-M184 HydrophobicContact CD2-SD 4.45Å; L181-M184 WeakPolarHBondContact O-CB 3.42Å; L181-M184 PolarHBondContact O-N 3.38Å; L181-F185 VanDerWaalsContact O-CD2 3.31Å; L181-F185 WeakPolarHBondContact O-CD2 3.49Å; L181-F185 PolarHBondContact O-N 3.5Å
182L95.8Very high94.4Very high51 Ų5153 Ų5327%0.26727%0.273SS..Hα-helixtrans-64.1-44.1177.3178.164.8000111.2F142 R178 Q179 G180 M184 F185 M186F142-L182 HydrophobicContact CE1-CB 4.32Å; F142-L182 HydrophobicContact CZ-CB 4.43Å; F142-L182 HydrophobicContact CZ-CD1 4.28Å; R178-L182 VanDerWaalsContact NH1-CD2 3.31Å; R178-L182 PolarHBondContact O-N 3.41Å; Q179-L182 PolarHBondContact O-N 3.42Å; G180-L182 PolarHBondContact O-N 3.12Å; L182-M184 VanDerWaalsContact C-N 3.27Å; L182-M184 PolarHBondContact O-N 2.85Å; L182-F185 WeakPolarHBondContact O-CB 3.34Å; L182-F185 PolarHBondContact O-N 3.31Å; L182-F185 VanDerWaalsContact O-N 3.1Å; L182-M186 HydrophobicContact CD1-CE 3.81Å; L182-M186 HydrophobicContact CD1-CG 4.31Å; L182-M186 HydrophobicContact CG-CG 4.22Å; L182-M186 WeakPolarHBondContact O-CG 3.41Å; L182-M186 PolarHBondContact O-N 3.04Å
183D94.6Very high94.2Very high44 Ų4453 Ų5324%0.23528%0.277CS..Hα-helixtrans-62.8-35.5179.1-73.3-18.3000111.1T60 Q179 G180 M186 I187T60-D183 HydrophobicContact CG2-CB 3.29Å; Q179-D183 PolarHBondContact NE2-OD1 2.84Å; Q179-D183 PolarHBondContact NE2-OD2 3.39Å; Q179-D183 WeakPolarHBondContact O-CB 3.31Å; Q179-D183 VanDerWaalsContact O-CG 3.28Å; Q179-D183 PolarHBondContact O-N 2.98Å; G180-D183 PolarHBondContact O-N 3.26Å; D183-M186 PolarHBondContact O-N 3.49Å; D183-I187 WeakPolarHBondContact O-CB 3.41Å; D183-I187 VanDerWaalsContact O-CG1 3.24Å; D183-I187 WeakPolarHBondContact O-CG1 3.29Å; D183-I187 PolarHBondContact O-N 3.49Å
184M94.2Very high94.1Very high1 Ų156.5 Ų56.51%0.00530%0.297CS..Hα-helixtrans-58.8-47.4170.9-65.9175.670.100111.4L57 T60 I61 T100 L104 G180 L181 L182 M186 I187 D188 M256L57-M184 HydrophobicContact CD1-CG 4.39Å; T60-M184 HydrophobicContact CG2-CG 3.87Å; I61-M184 HydrophobicContact CG1-CE 4.22Å; I61-M184 HydrophobicContact CG1-SD 4.34Å; T100-M184 HydrophobicContact CG2-CB 4.47Å; T100-M184 HydrophobicContact CG2-CE 4.5Å; T100-M184 HydrophobicContact CG2-SD 4.31Å; L104-M184 HydrophobicContact CD1-CB 3.56Å; L104-M184 HydrophobicContact CD1-CE 4.26Å; G180-M184 WeakPolarHBondContact O-CG 3.49Å; G180-M184 PolarHBondContact O-N 3.26Å; L181-M184 HydrophobicContact CD2-SD 4.45Å; L181-M184 WeakPolarHBondContact O-CB 3.42Å; L181-M184 PolarHBondContact O-N 3.38Å; L182-M184 VanDerWaalsContact C-N 3.27Å; L182-M184 PolarHBondContact O-N 2.85Å; M184-M186 PolarHBondContact O-N 3.26Å; M184-I187 PolarHBondContact O-N 2.85Å; M184-D188 WeakPolarHBondContact O-CB 3.5Å; M184-D188 PolarHBondContact O-N 3.14Å; M184-M256 HydrophobicContact CE-CE 4Å
185F94.1Very high94Very high40 Ų4060.9 Ų60.918%0.17532%0.323CS..Hα-helixtrans-62.2-40.8174.7-81.6-70.7000112.5T100 R103 L104 P141 F142 L181 L182 D188 F189T100-F185 HydrophobicContact CG2-CD2 4.08Å; T100-F185 HydrophobicContact CG2-CE2 3.57Å; T100-F185 HydrophobicContact CG2-CZ 4.02Å; R103-F185 HydrophobicContact CB-CE1 4.08Å; R103-F185 HydrophobicContact CB-CZ 4.28Å; L104-F185 HydrophobicContact CD1-CD1 4.31Å; L104-F185 HydrophobicContact CD1-CE1 4.48Å; L104-F185 HydrophobicContact CD1-CG 4.39Å; L104-F185 HydrophobicContact CD2-CD1 3.66Å; L104-F185 HydrophobicContact CD2-CE1 3.84Å; L104-F185 HydrophobicContact CD2-CG 4.43Å; L104-F185 HydrophobicContact CG-CD1 4.27Å; L104-F185 HydrophobicContact CG-CE1 4.16Å; P141-F185 HydrophobicContact CB-CE2 4.15Å; P141-F185 HydrophobicContact CB-CZ 4.33Å; P141-F185 HydrophobicContact CG-CE2 4.11Å; P141-F185 HydrophobicContact CG-CZ 3.87Å; F142-F185 HydrophobicContact CE2-CD2 4.44Å; F142-F185 HydrophobicContact CE2-CE2 4.34Å; F142-F185 AromaticContact CZ-CD2 3.87Å; F142-F185 HydrophobicContact CZ-CD2 3.87Å; F142-F185 HydrophobicContact CZ-CE2 4.03Å; L181-F185 VanDerWaalsContact O-CD2 3.31Å; L181-F185 WeakPolarHBondContact O-CD2 3.49Å; L181-F185 PolarHBondContact O-N 3.5Å; L182-F185 WeakPolarHBondContact O-CB 3.34Å; L182-F185 PolarHBondContact O-N 3.31Å; L182-F185 VanDerWaalsContact O-N 3.1Å; F185-D188 PolarHBondContact O-N 3.32Å; F185-F189 WeakPolarHBondContact O-CB 3.48Å; F185-F189 PolarHBondContact O-N 3.27Å
186M93.6Very high93.9Very high88 Ų8860.6 Ų60.643%0.43332%0.317SS..Hα-helixtrans-69.4-38.7-178.4-68.8-60.4110.200111.9L182 D183 M184 V190L182-M186 HydrophobicContact CD1-CE 3.81Å; L182-M186 HydrophobicContact CD1-CG 4.31Å; L182-M186 HydrophobicContact CG-CG 4.22Å; L182-M186 WeakPolarHBondContact O-CG 3.41Å; L182-M186 PolarHBondContact O-N 3.04Å; D183-M186 PolarHBondContact O-N 3.49Å; M184-M186 PolarHBondContact O-N 3.26Å; M186-V190 WeakPolarHBondContact O-CB 3.43Å; M186-V190 WeakPolarHBondContact O-CG2 3.43Å; M186-V190 PolarHBondContact O-N 3.31Å
187I91.9Very high93.8Very high16 Ų1657.5 Ų57.58%0.08230%0.302CS..Hα-helixtrans-62.7-52.4174-69.6169000108.5R53 R56 L57 T60 D183 M184 F189 V190R53-I187 HydrophobicContact CG-CG2 4.35Å; R53-I187 PolarHBondContact NH1-O 3.25Å; R53-I187 PolarHBondContact NH2-O 3Å; R56-I187 HydrophobicContact CG-CD1 4.1Å; L57-I187 HydrophobicContact CB-CD1 4.16Å; L57-I187 HydrophobicContact CB-CG2 4.21Å; L57-I187 HydrophobicContact CD1-CB 4.17Å; L57-I187 HydrophobicContact CD1-CD1 4Å; L57-I187 HydrophobicContact CD1-CG2 3.97Å; L57-I187 HydrophobicContact CD2-CG2 4.38Å; L57-I187 HydrophobicContact CG-CG2 4.42Å; T60-I187 HydrophobicContact CG2-CD1 4.46Å; D183-I187 WeakPolarHBondContact O-CB 3.41Å; D183-I187 VanDerWaalsContact O-CG1 3.24Å; D183-I187 WeakPolarHBondContact O-CG1 3.29Å; D183-I187 PolarHBondContact O-N 3.49Å; M184-I187 PolarHBondContact O-N 2.85Å; I187-F189 PolarHBondContact O-N 2.95Å; I187-V190 CarbonylContact O-C 3.32Å; I187-V190 PolarHBondContact O-N 2.97Å
188D91.4Very high93.8Very high71 Ų7162 Ų6238%0.3832%0.323SS..Hα-helixtrans-57.1-45.9177.9-177.367.8000112.8L104 M184 F185 C191L104-D188 HydrophobicContact CD2-CB 3.64Å; L104-D188 WeakPolarHBondContact CD2-OD2 3.47Å; M184-D188 WeakPolarHBondContact O-CB 3.5Å; M184-D188 PolarHBondContact O-N 3.14Å; F185-D188 PolarHBondContact O-N 3.32Å; D188-C191 PolarHBondContact O-SG 2.88Å
189F92.1Very high93.7Very high165 Ų16562.6 Ų62.672%0.72433%0.334SS*.Hα-helixtrans-64.3-43.9179.9179.9-111.1000112.9F185 I187 C191F185-F189 WeakPolarHBondContact O-CB 3.48Å; F185-F189 PolarHBondContact O-N 3.27Å; I187-F189 PolarHBondContact O-N 2.95Å; F189-C191 PolarHBondContact O-N 3.36Å
190V90.9Very high93.7Very high89 Ų8959.1 Ų59.154%0.53932%0.317SS..SBendtrans-94.679.2-179.5-172.90000109.3R53 M186 I187R53-V190 PolarHBondContact NH1-O 2.87Å; M186-V190 WeakPolarHBondContact O-CB 3.43Å; M186-V190 WeakPolarHBondContact O-CG2 3.43Å; M186-V190 PolarHBondContact O-N 3.31Å; I187-V190 CarbonylContact O-C 3.32Å; I187-V190 PolarHBondContact O-N 2.97Å
191C87.7Confident93.7Very high82 Ų8260 Ų6055%0.55432%0.321SS*.PPolyproline II helixtrans-63.7162.9174.4-67.80000112.9D188 F189D188-C191 PolarHBondContact O-SG 2.88Å; F189-C191 PolarHBondContact O-N 3.36Å
192I91.2Very high93.6Very high19 Ų1964.8 Ų64.810%0.09735%0.347CS..PPolyproline II helixtrans-57129.7165-60.8175.1000107.7Y46 V50 L194 Y196 V253Y46-I192 HydrophobicContact CE2-CG2 4.15Å; V50-I192 HydrophobicContact CB-CD1 4.22Å; V50-I192 HydrophobicContact CG2-CD1 3.45Å; V50-I192 VanDerWaalsContact CG2-CD1 3.45Å; I192-L194 PolarHBondContact O-N 3.41Å; I192-L194 VanDerWaalsContact O-N 3.14Å; I192-Y196 HydrophobicContact CG2-CD1 4.11Å; I192-V253 HydrophobicContact CD1-CG2 4.34Å
193P92.8Very high93.5Very high80 Ų8063.1 Ų63.152%0.51934%0.34SS..PPolyproline II helixtrans-51.5124.7-178.2-29.135.2000111V195 Y196 T197P193-V195 HydrophobicContact CB-CG1 4.1Å; P193-V195 PolarHBondContact O-N 3.19Å; P193-V195 VanDerWaalsContact O-N 3.12Å; P193-Y196 WeakPolarHBondContact O-CA 3.27Å; P193-Y196 WeakPolarHBondContact O-CB 3.24Å; P193-Y196 PolarHBondContact O-N 3.02Å; P193-T197 PolarHBondContact O-N 3.2Å
194L92.9Very high93.5Very high121 Ų12161 Ų6163%0.63433%0.329SS*.Hα-helixtrans-54.2-38.4-175.2178.562.1000112I192 Y196 T197 Q198I192-L194 PolarHBondContact O-N 3.41Å; I192-L194 VanDerWaalsContact O-N 3.14Å; L194-Y196 PolarHBondContact O-N 2.96Å; L194-T197 PolarHBondContact O-N 3.36Å; L194-Q198 HydrophobicContact CD1-CG 4.36Å; L194-Q198 HydrophobicContact CG-CG 4.29Å; L194-Q198 WeakPolarHBondContact O-CB 3.43Å; L194-Q198 VanDerWaalsContact O-CG 3.29Å; L194-Q198 WeakPolarHBondContact O-CG 3.46Å; L194-Q198 PolarHBondContact O-N 2.64Å
195V95.6Very high93.5Very high91 Ų9166.1 Ų66.155%0.55235%0.349SS*.Hα-helixtrans-57.3-34.8175.764.30000112.5P193 Q198 V199P193-V195 HydrophobicContact CB-CG1 4.1Å; P193-V195 PolarHBondContact O-N 3.19Å; P193-V195 VanDerWaalsContact O-N 3.12Å; V195-Q198 PolarHBondContact O-N 2.97Å; V195-V199 HydrophobicContact CG2-CG2 4.23Å; V195-V199 WeakPolarHBondContact O-CB 3.42Å; V195-V199 WeakPolarHBondContact O-CG2 3.18Å; V195-V199 PolarHBondContact O-N 3.4Å
196Y94.8Very high93.5Very high64 Ų6468 Ų6825%0.25136%0.36SS..Hα-helixtrans-69.4-48-179.7-169.8-161000110.9Y46 I192 P193 L194 Q198 V199 V200Y46-Y196 WeakPolarHBondContact CA-OH 3.17Å; Y46-Y196 AromaticContact CD2-CD1 3.9Å; Y46-Y196 HydrophobicContact CD2-CD1 3.9Å; Y46-Y196 HydrophobicContact CD2-CD2 4.29Å; Y46-Y196 AromaticContact CD2-CE1 3.84Å; Y46-Y196 HydrophobicContact CD2-CE1 3.84Å; Y46-Y196 HydrophobicContact CD2-CE2 4.22Å; Y46-Y196 HydrophobicContact CD2-CG 4.14Å; Y46-Y196 HydrophobicContact CE2-CD1 4.39Å; Y46-Y196 PolarHBondContact N-OH 2.9Å; I192-Y196 HydrophobicContact CG2-CD1 4.11Å; P193-Y196 WeakPolarHBondContact O-CA 3.27Å; P193-Y196 WeakPolarHBondContact O-CB 3.24Å; P193-Y196 PolarHBondContact O-N 3.02Å; L194-Y196 PolarHBondContact O-N 2.96Å; Y196-Q198 VanDerWaalsContact C-N 3.28Å; Y196-Q198 PolarHBondContact O-N 3.36Å; Y196-V199 PolarHBondContact O-N 3.47Å; Y196-V200 HydrophobicContact CD2-CG2 3.83Å; Y196-V200 HydrophobicContact CE2-CG2 3.72Å; Y196-V200 WeakPolarHBondContact O-CG2 3.39Å; Y196-V200 PolarHBondContact O-N 2.93Å
197T94.6Very high93.5Very high32 Ų3264.7 Ų64.720%0.19634%0.343CS..Hα-helixtrans-57-42.8172.4-57.60000111.4Y46 P193 L194 V200 T201Y46-T197 WeakPolarHBondContact OH-CB 3.47Å; Y46-T197 VanDerWaalsContact OH-CG2 3.32Å; Y46-T197 WeakPolarHBondContact OH-CG2 3.32Å; Y46-T197 PolarHBondContact OH-OG1 3.46Å; P193-T197 PolarHBondContact O-N 3.2Å; L194-T197 PolarHBondContact O-N 3.36Å; T197-V200 PolarHBondContact O-N 3.28Å; T197-T201 HydrophobicContact CG2-CG2 4.33Å; T197-T201 WeakPolarHBondContact O-CB 3.41Å; T197-T201 VanDerWaalsContact O-CG2 3.27Å; T197-T201 WeakPolarHBondContact O-CG2 3.44Å; T197-T201 PolarHBondContact O-N 3.35Å; T197-T201 PolarHBondContact O-OG1 3.3Å
198Q95.6Very high93.6Very high104 Ų10464.7 Ų64.749%0.48634%0.342SS..Hα-helixtrans-64.4-44.9178.1-73.7175-14.100112.8L194 V195 Y196 V200 T201 L202L194-Q198 HydrophobicContact CD1-CG 4.36Å; L194-Q198 HydrophobicContact CG-CG 4.29Å; L194-Q198 WeakPolarHBondContact O-CB 3.43Å; L194-Q198 VanDerWaalsContact O-CG 3.29Å; L194-Q198 WeakPolarHBondContact O-CG 3.46Å; L194-Q198 PolarHBondContact O-N 2.64Å; V195-Q198 PolarHBondContact O-N 2.97Å; Y196-Q198 VanDerWaalsContact C-N 3.28Å; Y196-Q198 PolarHBondContact O-N 3.36Å; Q198-V200 VanDerWaalsContact C-N 3.33Å; Q198-V200 PolarHBondContact O-N 2.84Å; Q198-T201 WeakPolarHBondContact CA-OG1 3.29Å; Q198-T201 PolarHBondContact O-OG1 2.9Å; Q198-L202 WeakPolarHBondContact O-CB 3.42Å; Q198-L202 PolarHBondContact O-N 3.5Å
199V95.1Very high93.7Very high75 Ų7566.8 Ų66.846%0.45535%0.352SS..Hα-helixtrans-62.7-42.4178.9167.70000110.8V195 Y196 A203V195-V199 HydrophobicContact CG2-CG2 4.23Å; V195-V199 WeakPolarHBondContact O-CB 3.42Å; V195-V199 WeakPolarHBondContact O-CG2 3.18Å; V195-V199 PolarHBondContact O-N 3.4Å; Y196-V199 PolarHBondContact O-N 3.47Å; V199-A203 VanDerWaalsContact O-CB 3.27Å; V199-A203 WeakPolarHBondContact O-CB 3.42Å; V199-A203 PolarHBondContact O-N 3.21Å
200V95.7Very high93.8Very high0 Ų059.7 Ų59.70%032%0.324CS..Hα-helixtrans-68.5-49.6-179.3177.40000111I42 L43 Y46 Y196 T197 Q198 L202 A203 V204 L246I42-V200 HydrophobicContact CG2-CB 4.3Å; I42-V200 HydrophobicContact CG2-CG1 4.47Å; I42-V200 HydrophobicContact CG2-CG2 3.67Å; L43-V200 HydrophobicContact CD1-CG1 3.71Å; Y46-V200 HydrophobicContact CD1-CB 4.3Å; Y46-V200 HydrophobicContact CD1-CG1 3.78Å; Y46-V200 HydrophobicContact CD1-CG2 4.32Å; Y46-V200 HydrophobicContact CD2-CB 4.47Å; Y46-V200 HydrophobicContact CD2-CG2 3.82Å; Y46-V200 HydrophobicContact CE1-CG1 4.43Å; Y46-V200 HydrophobicContact CG-CB 4.14Å; Y46-V200 HydrophobicContact CG-CG1 3.94Å; Y46-V200 HydrophobicContact CG-CG2 3.66Å; Y196-V200 HydrophobicContact CD2-CG2 3.83Å; Y196-V200 HydrophobicContact CE2-CG2 3.72Å; Y196-V200 WeakPolarHBondContact O-CG2 3.39Å; Y196-V200 PolarHBondContact O-N 2.93Å; T197-V200 PolarHBondContact O-N 3.28Å; Q198-V200 VanDerWaalsContact C-N 3.33Å; Q198-V200 PolarHBondContact O-N 2.84Å; V200-L202 VanDerWaalsContact C-N 3.34Å; V200-L202 PolarHBondContact O-N 3.21Å; V200-A203 PolarHBondContact O-N 2.78Å; V200-V204 WeakPolarHBondContact O-CG2 3.47Å; V200-V204 PolarHBondContact O-N 2.88Å; V200-L246 HydrophobicContact CG1-CD1 4.25Å
201T95.6Very high93.9Very high27 Ų2755.4 Ų55.417%0.16630%0.298CS..Hα-helixtrans-59.5-45177.549.30000111.4T197 Q198 A203 V204 Y205 L246T197-T201 HydrophobicContact CG2-CG2 4.33Å; T197-T201 WeakPolarHBondContact O-CB 3.41Å; T197-T201 VanDerWaalsContact O-CG2 3.27Å; T197-T201 WeakPolarHBondContact O-CG2 3.44Å; T197-T201 PolarHBondContact O-N 3.35Å; T197-T201 PolarHBondContact O-OG1 3.3Å; Q198-T201 WeakPolarHBondContact CA-OG1 3.29Å; Q198-T201 PolarHBondContact O-OG1 2.9Å; T201-A203 PolarHBondContact O-N 2.83Å; T201-V204 PolarHBondContact O-N 2.88Å; T201-Y205 WeakPolarHBondContact O-CB 3.31Å; T201-Y205 VanDerWaalsContact O-CG 3.27Å; T201-Y205 PolarHBondContact O-N 2.93Å; T201-L246 HydrophobicContact CG2-CD1 3.98Å; T201-L246 HydrophobicContact CG2-CD2 4.34Å
202L94.5Very high94.2Very high101 Ų10153.3 Ų53.353%0.52928%0.281SS..Hα-helixtrans-62.5-43176.4-174.669.8000111.8Q198 V200 V204 Y205 I206Q198-L202 WeakPolarHBondContact O-CB 3.42Å; Q198-L202 PolarHBondContact O-N 3.5Å; V200-L202 VanDerWaalsContact C-N 3.34Å; V200-L202 PolarHBondContact O-N 3.21Å; L202-V204 PolarHBondContact O-N 3.36Å; L202-Y205 PolarHBondContact O-N 3.47Å; L202-I206 HydrophobicContact CD1-CD1 3.91Å; L202-I206 HydrophobicContact CD1-CG1 4.1Å; L202-I206 HydrophobicContact CD2-CD1 4.1Å; L202-I206 HydrophobicContact CG-CD1 3.62Å; L202-I206 HydrophobicContact CG-CG1 4.16Å; L202-I206 WeakPolarHBondContact O-CB 3.25Å; L202-I206 VanDerWaalsContact O-CG1 3.26Å; L202-I206 WeakPolarHBondContact O-CG1 3.25Å; L202-I206 PolarHBondContact O-N 2.95Å
203A94.2Very high94.2Very high15 Ų1554.1 Ų54.112%0.12429%0.287CS..Hα-helixtrans-60.9-44.2178.200000112I42 V199 V200 T201 Y207I42-A203 HydrophobicContact CD1-CB 4.49Å; V199-A203 VanDerWaalsContact O-CB 3.27Å; V199-A203 WeakPolarHBondContact O-CB 3.42Å; V199-A203 PolarHBondContact O-N 3.21Å; V200-A203 PolarHBondContact O-N 2.78Å; T201-A203 PolarHBondContact O-N 2.83Å; A203-Y207 VanDerWaalsContact O-CB 3.31Å; A203-Y207 WeakPolarHBondContact O-CB 3.44Å; A203-Y207 PolarHBondContact O-N 3.48Å
204V95.1Very high94.2Very high1 Ų150.3 Ų50.31%0.00626%0.262CS..Hα-helixtrans-64.3-44.2175.6176.90000110.8V39 L43 V200 T201 L202 Y207 F208 M243 L246V39-V204 HydrophobicContact CG1-CG2 3.74Å; L43-V204 HydrophobicContact CD1-CG2 4.33Å; L43-V204 HydrophobicContact CD2-CG2 4.4Å; V200-V204 WeakPolarHBondContact O-CG2 3.47Å; V200-V204 PolarHBondContact O-N 2.88Å; T201-V204 PolarHBondContact O-N 2.88Å; L202-V204 PolarHBondContact O-N 3.36Å; V204-Y207 WeakPolarHBondContact O-CB 3.48Å; V204-Y207 PolarHBondContact O-N 3.39Å; V204-F208 HydrophobicContact CG1-CD2 3.82Å; V204-F208 HydrophobicContact CG1-CE2 3.69Å; V204-F208 VanDerWaalsContact O-CD2 3.24Å; V204-F208 WeakPolarHBondContact O-CD2 3.41Å; V204-F208 PolarHBondContact O-N 3.15Å; V204-F208 VanDerWaalsContact O-N 3.08Å; V204-M243 HydrophobicContact CG1-SD 3.75Å; V204-L246 HydrophobicContact CB-CD2 4.11Å; V204-L246 HydrophobicContact CG1-CD2 3.99Å; V204-L246 HydrophobicContact CG2-CD2 4.35Å
205Y94.7Very high94.1Very high107 Ų10747.8 Ų47.842%0.4225%0.245SC..Hα-helixtrans-67.1-44.7-180-71-3.9000112.8T201 L202 Y207 F208 I209 M243 L246T201-Y205 WeakPolarHBondContact O-CB 3.31Å; T201-Y205 VanDerWaalsContact O-CG 3.27Å; T201-Y205 PolarHBondContact O-N 2.93Å; L202-Y205 PolarHBondContact O-N 3.47Å; Y205-Y207 VanDerWaalsContact C-N 3.28Å; Y205-Y207 PolarHBondContact O-N 3.17Å; Y205-F208 PolarHBondContact O-N 3.22Å; Y205-I209 WeakPolarHBondContact O-CB 3.3Å; Y205-I209 VanDerWaalsContact O-CG1 3.27Å; Y205-I209 WeakPolarHBondContact O-CG1 3.41Å; Y205-I209 PolarHBondContact O-N 3.26Å; Y205-M243 HydrophobicContact CD1-SD 4.37Å; Y205-M243 HydrophobicContact CE1-CE 4.02Å; Y205-M243 HydrophobicContact CE1-SD 4.1Å; Y205-L246 HydrophobicContact CE1-CD2 4.12Å
206I93.3Very high93.9Very high81 Ų8143.9 Ų43.942%0.41522%0.22SC..Hα-helixtrans-60.5-42.1175.5-70.7174.2000110.2I37 L202 F208 I209 A210I37-I206 HydrophobicContact CD1-CG2 4.11Å; L202-I206 HydrophobicContact CD1-CD1 3.91Å; L202-I206 HydrophobicContact CD1-CG1 4.1Å; L202-I206 HydrophobicContact CD2-CD1 4.1Å; L202-I206 HydrophobicContact CG-CD1 3.62Å; L202-I206 HydrophobicContact CG-CG1 4.16Å; L202-I206 WeakPolarHBondContact O-CB 3.25Å; L202-I206 VanDerWaalsContact O-CG1 3.26Å; L202-I206 WeakPolarHBondContact O-CG1 3.25Å; L202-I206 PolarHBondContact O-N 2.95Å; I206-F208 VanDerWaalsContact C-N 3.32Å; I206-F208 PolarHBondContact O-N 3.43Å; I206-I209 PolarHBondContact O-N 3.25Å; I206-A210 VanDerWaalsContact O-CB 3.31Å; I206-A210 WeakPolarHBondContact O-CB 3.45Å; I206-A210 PolarHBondContact O-N 2.95Å
207Y94.3Very high93.7Very high17 Ų1742.2 Ų42.27%0.06721%0.214CC..Hα-helixtrans-58.4-43.1176178.2-94.9000112.3Q34 I37 V39 A203 V204 Y205 S211 E238 Y242Q34-Y207 HydrophobicContact CG-CD2 3.79Å; Q34-Y207 HydrophobicContact CG-CE2 3.62Å; Q34-Y207 VanDerWaalsContact NE2-CZ 3.27Å; Q34-Y207 PolarHBondContact NE2-OH 3.49Å; I37-Y207 HydrophobicContact CB-CD2 4.38Å; V39-Y207 HydrophobicContact CG2-CD1 4.45Å; V39-Y207 HydrophobicContact CG2-CD2 3.61Å; V39-Y207 HydrophobicContact CG2-CE2 4.37Å; V39-Y207 HydrophobicContact CG2-CG 3.64Å; A203-Y207 VanDerWaalsContact O-CB 3.31Å; A203-Y207 WeakPolarHBondContact O-CB 3.44Å; A203-Y207 PolarHBondContact O-N 3.48Å; V204-Y207 WeakPolarHBondContact O-CB 3.48Å; V204-Y207 PolarHBondContact O-N 3.39Å; Y205-Y207 VanDerWaalsContact C-N 3.28Å; Y205-Y207 PolarHBondContact O-N 3.17Å; Y207-S211 WeakPolarHBondContact O-CB 3.15Å; Y207-S211 PolarHBondContact O-N 3.37Å; Y207-S211 PolarHBondContact O-OG 2.68Å; Y207-E238 PolarHBondContact OH-OE2 2.96Å; Y207-Y242 HydrophobicContact CE1-CD2 4.11Å; Y207-Y242 HydrophobicContact CE1-CE2 4.14Å
208F94.2Very high93.3Very high17 Ų1741 Ų418%0.07521%0.206CC..Hα-helixtrans-76.4-33.6178-74.4-56.7000114V204 Y205 I206 A210 S211 L212 F239 Y242 M243V204-F208 HydrophobicContact CG1-CD2 3.82Å; V204-F208 HydrophobicContact CG1-CE2 3.69Å; V204-F208 VanDerWaalsContact O-CD2 3.24Å; V204-F208 WeakPolarHBondContact O-CD2 3.41Å; V204-F208 PolarHBondContact O-N 3.15Å; V204-F208 VanDerWaalsContact O-N 3.08Å; Y205-F208 PolarHBondContact O-N 3.22Å; I206-F208 VanDerWaalsContact C-N 3.32Å; I206-F208 PolarHBondContact O-N 3.43Å; F208-A210 VanDerWaalsContact C-N 3.33Å; F208-S211 WeakPolarHBondContact O-CB 3.45Å; F208-S211 PolarHBondContact O-N 2.81Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 3.47Å; F208-F239 HydrophobicContact CD1-CB 4.43Å; F208-F239 AromaticContact CD1-CD2 3.82Å; F208-F239 HydrophobicContact CD1-CD2 3.82Å; F208-F239 HydrophobicContact CD2-CD2 4.13Å; F208-F239 VanDerWaalsContact CE1-CA 3.5Å; F208-F239 HydrophobicContact CE1-CB 3.81Å; F208-F239 AromaticContact CE1-CD2 3.89Å; F208-F239 HydrophobicContact CE1-CD2 3.89Å; F208-F239 HydrophobicContact CE1-CG 4.32Å; F208-F239 HydrophobicContact CE2-CD2 4.17Å; F208-F239 AromaticContact CG-CD2 3.98Å; F208-F239 HydrophobicContact CG-CD2 3.98Å; F208-F239 VanDerWaalsContact CZ-CA 3.41Å; F208-F239 HydrophobicContact CZ-CB 4.13Å; F208-F239 HydrophobicContact CZ-CD2 4.07Å; F208-F239 HydrophobicContact CZ-CG 4.46Å; F208-Y242 HydrophobicContact CZ-CD2 4.02Å; F208-Y242 HydrophobicContact CZ-CG 4.36Å; F208-M243 HydrophobicContact CD2-CG 4.02Å; F208-M243 HydrophobicContact CD2-SD 4.03Å; F208-M243 HydrophobicContact CE2-CG 3.66Å; F208-M243 HydrophobicContact CE2-SD 4.08Å; F208-M243 HydrophobicContact CZ-CG 4.42Å
209I93.2Very high92.7Very high114 Ų11439.9 Ų39.959%0.58520%0.203SC*.Hα-helixtrans-60.5-46.1170.7-70.1165.9000109.9Y205 I206 S211 L212Y205-I209 WeakPolarHBondContact O-CB 3.3Å; Y205-I209 VanDerWaalsContact O-CG1 3.27Å; Y205-I209 WeakPolarHBondContact O-CG1 3.41Å; Y205-I209 PolarHBondContact O-N 3.26Å; I206-I209 PolarHBondContact O-N 3.25Å; I209-S211 VanDerWaalsContact C-N 3.33Å; I209-S211 PolarHBondContact O-N 3.01Å; I209-L212 WeakPolarHBondContact O-CB 3.4Å; I209-L212 PolarHBondContact O-N 3.31Å
210A93.4Very high91.9Very high16 Ų1639.8 Ų39.813%0.13220%0.2CC..Hα-helixtrans-61.7-41.7173.500000111.3T30 Q34 I206 F208 L212 V213 G214T30-A210 HydrophobicContact CG2-CB 3.76Å; T30-A210 VanDerWaalsContact CG2-O 3.26Å; T30-A210 WeakPolarHBondContact CG2-O 3.44Å; Q34-A210 HydrophobicContact CB-CB 4.42Å; Q34-A210 HydrophobicContact CG-CB 4.46Å; I206-A210 VanDerWaalsContact O-CB 3.31Å; I206-A210 WeakPolarHBondContact O-CB 3.45Å; I206-A210 PolarHBondContact O-N 2.95Å; F208-A210 VanDerWaalsContact C-N 3.33Å; A210-L212 VanDerWaalsContact C-N 3.3Å; A210-L212 PolarHBondContact O-N 2.65Å; A210-V213 PolarHBondContact O-N 3.19Å; A210-V213 VanDerWaalsContact O-N 3.16Å; A210-G214 PolarHBondContact O-N 2.91Å
211S92.9Very high90.6Very high0 Ų043.6 Ų43.60%023%0.226CC..Hα-helixtrans-61.7-33.9177.7-59.30000113.3Q34 Y207 F208 I209 V213 R215Q34-S211 PolarHBondContact NE2-OG 2.96Å; Y207-S211 WeakPolarHBondContact O-CB 3.15Å; Y207-S211 PolarHBondContact O-N 3.37Å; Y207-S211 PolarHBondContact O-OG 2.68Å; F208-S211 WeakPolarHBondContact O-CB 3.45Å; F208-S211 PolarHBondContact O-N 2.81Å; I209-S211 VanDerWaalsContact C-N 3.33Å; I209-S211 PolarHBondContact O-N 3.01Å; S211-V213 PolarHBondContact O-N 3.41Å; S211-R215 VanDerWaalsContact O-CB 3.28Å; S211-R215 WeakPolarHBondContact O-CB 3.34Å; S211-R215 PolarHBondContact O-N 3.07Å; S211-R215 VanDerWaalsContact O-N 3.14Å
212L93.7Very high89.3Confident38 Ų3846.3 Ų46.320%0.19925%0.247CC..Hα-helixtrans-61.5-28.4177.8-74.4174.3000112.7L3 Y4 I7 F208 I209 A210 Q216L3-L212 HydrophobicContact CB-CD1 4.25Å; L3-L212 HydrophobicContact CB-CD2 4.36Å; L3-L212 HydrophobicContact CD1-CD1 4.34Å; Y4-L212 HydrophobicContact CD2-CD2 4.39Å; I7-L212 HydrophobicContact CD1-CB 4.03Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 3.47Å; I209-L212 WeakPolarHBondContact O-CB 3.4Å; I209-L212 PolarHBondContact O-N 3.31Å; A210-L212 VanDerWaalsContact C-N 3.3Å; A210-L212 PolarHBondContact O-N 2.65Å; L212-Q216 WeakPolarHBondContact O-CG 3.41Å; L212-Q216 PolarHBondContact O-NE2 2.95Å
213V93.1Very high88Confident35 Ų3546.1 Ų46.121%0.21224%0.239CC..Hα-helixtrans-99.9-55.2178.1-178.10000110.7F23 I26 I27 T30 A210 S211 R215 Q216F23-V213 HydrophobicContact CE2-CG1 4.3Å; F23-V213 HydrophobicContact CZ-CG1 4.36Å; I26-V213 HydrophobicContact CG2-CG1 3.89Å; I27-V213 HydrophobicContact CG1-CG1 4.47Å; I27-V213 WeakPolarHBondContact CG1-O 3.29Å; T30-V213 HydrophobicContact CG2-CB 4.36Å; A210-V213 PolarHBondContact O-N 3.19Å; A210-V213 VanDerWaalsContact O-N 3.16Å; S211-V213 PolarHBondContact O-N 3.41Å; V213-R215 PolarHBondContact O-N 3.23Å; V213-R215 VanDerWaalsContact O-N 3.17Å; V213-Q216 WeakPolarHBondContact O-CB 3.47Å; V213-Q216 WeakPolarHBondContact O-CG 3.29Å; V213-Q216 PolarHBondContact O-N 3.28Å; V213-Q216 VanDerWaalsContact O-N 3.12Å
214G91.3Very high86.7Confident1 Ų147.3 Ų47.31%0.0125%0.245CC..Hα-helixtrans-67.6-15.6-173.700000115.7A210A210-G214 PolarHBondContact O-N 2.91Å
215R90.8Very high85.1Confident68 Ų6854.9 Ų54.926%0.25729%0.285SS..THydrogen-bonded Turntrans-107.116.8175.3-54.1-71-172.810014.9112.9Y4 S211 V213 M235 E238Y4-R215 WeakPolarHBondContact CE2-O 3.3Å; Y4-R215 PolarHBondContact OH-O 3.29Å; S211-R215 VanDerWaalsContact O-CB 3.28Å; S211-R215 WeakPolarHBondContact O-CB 3.34Å; S211-R215 PolarHBondContact O-N 3.07Å; S211-R215 VanDerWaalsContact O-N 3.14Å; V213-R215 PolarHBondContact O-N 3.23Å; V213-R215 VanDerWaalsContact O-N 3.17Å; R215-M235 HydrophobicContact CB-CB 4.4Å; R215-M235 HydrophobicContact CB-CE 4.02Å; R215-M235 HydrophobicContact CB-CG 4.34Å; R215-M235 HydrophobicContact CG-CB 4.39Å; R215-M235 HydrophobicContact CG-CG 4.23Å; R215-E238 IonicContact CZ-OE1 3.13Å; R215-E238 IonicContact CZ-OE2 3.62Å; R215-E238 IonicContact NH1-OE1 2.73Å; R215-E238 PolarHBondContact NH1-OE1 2.87Å; R215-E238 IonicContact NH1-OE2 2.98Å; R215-E238 PolarHBondContact NH1-OE2 2.93Å; R215-E238 IonicContact NH2-OE1 2.69Å; R215-E238 PolarHBondContact NH2-OE1 2.93Å; R215-E238 IonicContact NH2-OE2 3.27Å; R215-E238 PolarHBondContact NH2-OE2 3.27Å
216Q92.2Very high83.8Confident8 Ų851.2 Ų51.24%0.03728%0.275CS..PPolyproline II helixtrans-68.3139.8168.9-69.6-69.2-19.300110.3Y4 I7 T8 F23 I27 L212 V213Y4-Q216 HydrophobicContact CE2-CG 4.18Å; Y4-Q216 VanDerWaalsContact CE2-NE2 3.26Å; Y4-Q216 PolarHBondContact O-NE2 3.44Å; I7-Q216 HydrophobicContact CG2-CG 4.01Å; T8-Q216 PolarHBondContact OG1-OE1 3.33Å; F23-Q216 HydrophobicContact CE1-CG 4.41Å; F23-Q216 HydrophobicContact CZ-CG 4.47Å; I27-Q216 HydrophobicContact CD1-CB 3.67Å; I27-Q216 HydrophobicContact CG1-CB 4.12Å; L212-Q216 WeakPolarHBondContact O-CG 3.41Å; L212-Q216 PolarHBondContact O-NE2 2.95Å; V213-Q216 WeakPolarHBondContact O-CB 3.47Å; V213-Q216 WeakPolarHBondContact O-CG 3.29Å; V213-Q216 PolarHBondContact O-N 3.28Å; V213-Q216 VanDerWaalsContact O-N 3.12Å
217F89.8Confident82.8Confident30 Ų3055.1 Ų55.113%0.13229%0.292CS..PPolyproline II helixtrans-76.4125.6175-65.7-75.9000110.1Y11 Q227 D228 L229 P232Y11-F217 WeakPolarHBondContact CE1-O 3.26Å; F217-Q227 WeakPolarHBondContact CD1-O 3.4Å; F217-Q227 WeakPolarHBondContact CE1-O 3.36Å; F217-D228 HydrophobicContact CB-CB 4.39Å; F217-D228 WeakPolarHBondContact CB-OD1 3.3Å; F217-D228 WeakPolarHBondContact CG-OD1 3.22Å; F217-L229 HydrophobicContact CE1-CB 4.14Å; F217-L229 HydrophobicContact CE1-CG 4.44Å; F217-L229 HydrophobicContact CE2-CB 4.29Å; F217-L229 HydrophobicContact CZ-CB 3.71Å; F217-L229 HydrophobicContact CZ-CD1 4.49Å; F217-L229 HydrophobicContact CZ-CG 4.39Å; F217-P232 HydrophobicContact CE2-CB 4.2Å
218I87.2Confident82.2Confident5 Ų556.8 Ų56.83%0.02630%0.302CS..PPolyproline II helixtrans-82.4134.7179.5-64.6176.2000109.5E24 I27 I28 D220 T224E24-I218 HydrophobicContact CB-CD1 4.4Å; E24-I218 HydrophobicContact CB-CG2 4.5Å; E24-I218 HydrophobicContact CG-CB 4.46Å; E24-I218 HydrophobicContact CG-CD1 4.46Å; E24-I218 HydrophobicContact CG-CG1 4.19Å; E24-I218 HydrophobicContact CG-CG2 3.69Å; I27-I218 HydrophobicContact CB-CD1 4.47Å; I27-I218 HydrophobicContact CD1-CG1 3.96Å; I27-I218 HydrophobicContact CG2-CD1 4.16Å; I27-I218 HydrophobicContact CG2-CG1 4.26Å; I28-I218 HydrophobicContact CD1-CD1 4.25Å; I28-I218 HydrophobicContact CG1-CD1 3.97Å; I218-D220 HydrophobicContact CG2-CB 4.37Å; I218-T224 HydrophobicContact CD1-CG2 3.67Å
219I82.9Confident81.6Confident82 Ų8260.8 Ų60.842%0.42132%0.323SS..SBendtrans-64.7-42.7179.7-64.4164.9000110.5Y11 R12 S221Y11-I219 HydrophobicContact CE1-CD1 3.91Å; Y11-I219 HydrophobicContact CE1-CG1 3.74Å; Y11-I219 HydrophobicContact CE2-CD1 4.4Å; Y11-I219 PolarHBondContact OH-N 3.45Å; R12-I219 HydrophobicContact CG-CD1 4.3Å; I219-S221 PolarHBondContact O-N 3.05Å; I219-S221 VanDerWaalsContact O-N 3.1Å
220D77.1Confident81Confident73 Ų7363 Ų6339%0.3933%0.326SS..  trans-80.689.6176.7-168.9-3.7000111.6I218 S222 R223I218-D220 HydrophobicContact CG2-CB 4.37Å; D220-S222 PolarHBondContact O-N 3.24Å; D220-S222 VanDerWaalsContact OD1-CB 3.29Å; D220-S222 WeakPolarHBondContact OD1-CB 3.48Å; D220-S222 PolarHBondContact OD1-N 3.02Å; D220-S222 VanDerWaalsContact OD1-N 3.16Å; D220-S222 PolarHBondContact OD1-OG 3Å; D220-S222 PolarHBondContact OD2-OG 2.87Å; D220-R223 HydrophobicContact CB-CG 4.35Å; D220-R223 PolarHBondContact O-N 3.29Å; D220-R223 VanDerWaalsContact O-N 3.15Å
221S69.1Low80.7Confident79 Ų7966.9 Ų66.955%0.55234%0.34SS*.G310 helixtrans-54.2-20.3178.262.20000114.6I219 R223 N225I219-S221 PolarHBondContact O-N 3.05Å; I219-S221 VanDerWaalsContact O-N 3.1Å; S221-R223 PolarHBondContact O-N 3.19Å; S221-N225 PolarHBondContact O-N 3.38Å
222S68.5Low80.5Confident85 Ų8567.2 Ų67.259%0.59434%0.342SS*.G310 helixtrans-66-22.7179.972.80000113.4D220D220-S222 PolarHBondContact O-N 3.24Å; D220-S222 VanDerWaalsContact OD1-CB 3.29Å; D220-S222 WeakPolarHBondContact OD1-CB 3.48Å; D220-S222 PolarHBondContact OD1-N 3.02Å; D220-S222 VanDerWaalsContact OD1-N 3.16Å; D220-S222 PolarHBondContact OD1-OG 3Å; D220-S222 PolarHBondContact OD2-OG 2.87Å
223R66.6Low80.4Confident97 Ų9770.7 Ų70.737%0.36636%0.355SS..G310 helixtrans-85.7-26.1-172.9-59.9-17168.5179.92.2114.2E24 D25 D220 S221E24-R223 IonicContact OE2-CZ 2.67Å; E24-R223 IonicContact OE2-NH1 3.39Å; E24-R223 PolarHBondContact OE2-NH1 3.12Å; D25-R223 IonicContact OD1-CZ 2.75Å; D25-R223 IonicContact OD1-NH1 3.58Å; D25-R223 PolarHBondContact OD1-NH1 3.21Å; D25-R223 IonicContact OD1-NH2 3.76Å; D25-R223 PolarHBondContact OD1-NH2 2.99Å; D220-R223 HydrophobicContact CB-CG 4.35Å; D220-R223 PolarHBondContact O-N 3.29Å; D220-R223 VanDerWaalsContact O-N 3.15Å; S221-R223 PolarHBondContact O-N 3.19Å
224T67Low80.2Confident39 Ų3975.7 Ų75.724%0.23938%0.375CS..THydrogen-bonded Turntrans-136.45.4-170.450.30000115.4I28 I218 S226I28-T224 HydrophobicContact CD1-CG2 4.31Å; I28-T224 HydrophobicContact CG1-CG2 4.14Å; I218-T224 HydrophobicContact CD1-CG2 3.67Å; T224-S226 PolarHBondContact O-N 3.36Å; T224-S226 PolarHBondContact OG1-OG 3.01Å
225N62.5Low80.2Confident160 Ų16076.2 Ų76.286%0.85638%0.377SS*.  trans4827.3-176.3-81.2-15.1000113.2S221S221-N225 PolarHBondContact O-N 3.38Å
226S66.5Low80.3Confident31 Ų3176.3 Ų76.322%0.21738%0.379CS..  trans-104.6127.1-174.554.40000110T224T224-S226 PolarHBondContact O-N 3.36Å; T224-S226 PolarHBondContact OG1-OG 3.01Å
227Q72Confident80.4Confident163 Ų16380 Ų8076%0.76240%0.399SS*.  trans-70.5135.9168.3-68.1179.3-10.800109.7F217 L229F217-Q227 WeakPolarHBondContact CD1-O 3.4Å; F217-Q227 WeakPolarHBondContact CE1-O 3.36Å; Q227-L229 PolarHBondContact O-N 3.38Å
228D81.3Confident80.6Confident51 Ų5180.8 Ų80.827%0.27340%0.403SS..  trans-80.9101.6177.1-171.40.5000109.8R12 F217 Y230R12-D228 IonicContact CZ-OD1 2.98Å; R12-D228 IonicContact CZ-OD2 3.95Å; R12-D228 IonicContact NH1-OD2 3.92Å; R12-D228 PolarHBondContact NH1-OD2 3.16Å; R12-D228 IonicContact NH2-OD1 3.47Å; R12-D228 PolarHBondContact NH2-OD1 3.43Å; R12-D228 IonicContact NH2-OD2 2.9Å; R12-D228 PolarHBondContact NH2-OD2 3.27Å; F217-D228 HydrophobicContact CB-CB 4.39Å; F217-D228 WeakPolarHBondContact CB-OD1 3.3Å; F217-D228 WeakPolarHBondContact CG-OD1 3.22Å; D228-Y230 VanDerWaalsContact C-N 3.33Å; D228-Y230 PolarHBondContact OD1-N 3.49Å
229L82Confident80.9Confident101 Ų10184.8 Ų84.853%0.52942%0.42SS..  trans-87.5-3.6179.8-65171.6000112.7F217 Q227 F231F217-L229 HydrophobicContact CE1-CB 4.14Å; F217-L229 HydrophobicContact CE1-CG 4.44Å; F217-L229 HydrophobicContact CE2-CB 4.29Å; F217-L229 HydrophobicContact CZ-CB 3.71Å; F217-L229 HydrophobicContact CZ-CD1 4.49Å; F217-L229 HydrophobicContact CZ-CG 4.39Å; Q227-L229 PolarHBondContact O-N 3.38Å; L229-F231 PolarHBondContact O-N 2.97Å
230Y80.6Confident81.5Confident162 Ų16285.5 Ų85.564%0.63542%0.424SS*.SBendtrans58-43-168.1-66.7-87.7000115.3D228D228-Y230 VanDerWaalsContact C-N 3.33Å; D228-Y230 PolarHBondContact OD1-N 3.49Å
231F87.9Confident82.4Confident97 Ų9785.3 Ų85.343%0.42543%0.425SS..SBendtrans-99.7123.7176.1-175.6-97.3000110.8M1 L229 F233 F236M1-F231 HydrophobicContact CE-CD2 3.95Å; M1-F231 HydrophobicContact CE-CE2 3.41Å; M1-F231 VanDerWaalsContact CE-CE2 3.41Å; M1-F231 HydrophobicContact CE-CZ 4.03Å; L229-F231 PolarHBondContact O-N 2.97Å; F231-F233 VanDerWaalsContact C-N 3.28Å; F231-F233 HydrophobicContact CD1-CB 4.02Å; F231-F233 HydrophobicContact CE1-CB 4.2Å; F231-F233 HydrophobicContact CE1-CD2 4.17Å; F231-F233 PolarHBondContact O-N 2.88Å; F231-F236 HydrophobicContact CE1-CB 4.39Å; F231-F236 HydrophobicContact CZ-CB 4.24Å; F231-F236 HydrophobicContact CZ-CD1 4.12Å; F231-F236 HydrophobicContact CZ-CG 4.16Å
232P89.3Confident83.6Confident7 Ų783.5 Ų83.55%0.04541%0.407CS..  trans-83.169.3-176.337.5-39.9000111.4M1 Y4 F217 F234 M235 F236M1-P232 HydrophobicContact CE-CG 4.19Å; Y4-P232 HydrophobicContact CD1-CG 3.77Å; Y4-P232 HydrophobicContact CD2-CG 4.4Å; Y4-P232 HydrophobicContact CE1-CB 4.06Å; Y4-P232 HydrophobicContact CE1-CG 3.45Å; Y4-P232 VanDerWaalsContact CE1-CG 3.45Å; Y4-P232 HydrophobicContact CE2-CB 4.25Å; Y4-P232 HydrophobicContact CE2-CG 4.09Å; Y4-P232 HydrophobicContact CG-CG 4.23Å; F217-P232 HydrophobicContact CE2-CB 4.2Å; P232-F234 PolarHBondContact O-N 3.04Å; P232-M235 HydrophobicContact CB-CB 4.14Å; P232-M235 HydrophobicContact CB-CE 3.71Å; P232-M235 HydrophobicContact CG-CE 3.63Å; P232-M235 HydrophobicContact CG-SD 4.35Å; P232-M235 PolarHBondContact O-N 3.35Å; P232-M235 VanDerWaalsContact O-N 3.14Å; P232-F236 PolarHBondContact O-N 3.01Å
233F90.7Very high84.9Confident111 Ų11180.9 Ų80.949%0.48739%0.385SS..Hα-helixtrans-50.2-51-172.4-178.1-95.5000113.8F231 M235 F236 L237F231-F233 VanDerWaalsContact C-N 3.28Å; F231-F233 HydrophobicContact CD1-CB 4.02Å; F231-F233 HydrophobicContact CE1-CB 4.2Å; F231-F233 HydrophobicContact CE1-CD2 4.17Å; F231-F233 PolarHBondContact O-N 2.88Å; F233-M235 PolarHBondContact O-N 3.45Å; F233-F236 PolarHBondContact O-N 3.23Å; F233-L237 HydrophobicContact CE1-CD1 4.39Å; F233-L237 PolarHBondContact O-N 3.32Å
234F89.7Confident86.2Confident140 Ų14077.9 Ų77.961%0.61438%0.384SS*.Hα-helixtrans-68.9-34.6-177.9-67.9-71.4000113.6P232 F236 L237 E238P232-F234 PolarHBondContact O-N 3.04Å; F234-F236 VanDerWaalsContact C-N 3.33Å; F234-L237 PolarHBondContact O-N 2.92Å; F234-E238 WeakPolarHBondContact O-CB 3.2Å; F234-E238 WeakPolarHBondContact O-CG 3.42Å; F234-E238 PolarHBondContact O-N 3.4Å
235M91Very high87.6Confident12 Ų1279.5 Ų79.56%0.05939%0.391CS..Hα-helixtrans-69.7-35.1174.9177.2-106.6-76.800111.1Y4 R215 P232 F233 E238 F239Y4-M235 HydrophobicContact CD2-CE 3.19Å; Y4-M235 HydrophobicContact CE2-CE 3.17Å; Y4-M235 HydrophobicContact CG-CE 3.98Å; R215-M235 HydrophobicContact CB-CB 4.4Å; R215-M235 HydrophobicContact CB-CE 4.02Å; R215-M235 HydrophobicContact CB-CG 4.34Å; R215-M235 HydrophobicContact CG-CB 4.39Å; R215-M235 HydrophobicContact CG-CG 4.23Å; P232-M235 HydrophobicContact CB-CB 4.14Å; P232-M235 HydrophobicContact CB-CE 3.71Å; P232-M235 HydrophobicContact CG-CE 3.63Å; P232-M235 HydrophobicContact CG-SD 4.35Å; P232-M235 PolarHBondContact O-N 3.35Å; P232-M235 VanDerWaalsContact O-N 3.14Å; F233-M235 PolarHBondContact O-N 3.45Å; M235-E238 PolarHBondContact O-N 3.37Å; M235-F239 WeakPolarHBondContact O-CB 3.3Å; M235-F239 PolarHBondContact O-N 3.29Å
236F92.9Very high89.2Confident70 Ų7071.9 Ų71.931%0.30735%0.351SS..Hα-helixtrans-65.5-40.1172.8-179.1-112.1000112M1 F231 P232 F233 F234 F239 I240M1-F236 HydrophobicContact CG-CD2 3.98Å; M1-F236 HydrophobicContact CG-CE2 4.09Å; M1-F236 HydrophobicContact SD-CB 4.48Å; M1-F236 HydrophobicContact SD-CD2 3.72Å; M1-F236 HydrophobicContact SD-CE2 4.43Å; M1-F236 HydrophobicContact SD-CG 4.42Å; F231-F236 HydrophobicContact CE1-CB 4.39Å; F231-F236 HydrophobicContact CZ-CB 4.24Å; F231-F236 HydrophobicContact CZ-CD1 4.12Å; F231-F236 HydrophobicContact CZ-CG 4.16Å; P232-F236 PolarHBondContact O-N 3.01Å; F233-F236 PolarHBondContact O-N 3.23Å; F234-F236 VanDerWaalsContact C-N 3.33Å; F236-F239 WeakPolarHBondContact O-CB 3.46Å; F236-F239 PolarHBondContact O-N 3.24Å; F236-I240 HydrophobicContact CD1-CD1 4.02Å; F236-I240 HydrophobicContact CE1-CD1 3.51Å; F236-I240 HydrophobicContact CE1-CG1 4.36Å; F236-I240 HydrophobicContact CE2-CD1 4.47Å; F236-I240 HydrophobicContact CZ-CD1 3.77Å; F236-I240 HydrophobicContact CZ-CG1 4.23Å; F236-I240 PolarHBondContact O-N 3.48Å
237L94Very high90.5Very high85 Ų8575.5 Ų75.545%0.44536%0.363SS..Hα-helixtrans-64.9-45.2173.7-170.5147.1000111.7F233 F234 F239 I240 V241F233-L237 HydrophobicContact CE1-CD1 4.39Å; F233-L237 PolarHBondContact O-N 3.32Å; F234-L237 PolarHBondContact O-N 2.92Å; L237-F239 PolarHBondContact O-N 3.33Å; L237-I240 PolarHBondContact O-N 3.39Å; L237-V241 HydrophobicContact CD2-CG2 4.22Å; L237-V241 WeakPolarHBondContact O-CG2 3.41Å; L237-V241 PolarHBondContact O-N 3Å
238E93.1Very high91.5Very high46 Ų4671.1 Ų71.122%0.21535%0.347CS..Hα-helixtrans-56.1-39.4171.9-75.7173.3-158.600111.3Y207 R215 F234 M235 V241 Y242Y207-E238 PolarHBondContact OH-OE2 2.96Å; R215-E238 IonicContact CZ-OE1 3.13Å; R215-E238 IonicContact CZ-OE2 3.62Å; R215-E238 IonicContact NH1-OE1 2.73Å; R215-E238 PolarHBondContact NH1-OE1 2.87Å; R215-E238 IonicContact NH1-OE2 2.98Å; R215-E238 PolarHBondContact NH1-OE2 2.93Å; R215-E238 IonicContact NH2-OE1 2.69Å; R215-E238 PolarHBondContact NH2-OE1 2.93Å; R215-E238 IonicContact NH2-OE2 3.27Å; R215-E238 PolarHBondContact NH2-OE2 3.27Å; F234-E238 WeakPolarHBondContact O-CB 3.2Å; F234-E238 WeakPolarHBondContact O-CG 3.42Å; F234-E238 PolarHBondContact O-N 3.4Å; M235-E238 PolarHBondContact O-N 3.37Å; E238-V241 PolarHBondContact O-N 3.16Å; E238-Y242 HydrophobicContact CB-CD2 4.37Å; E238-Y242 HydrophobicContact CB-CE2 4.39Å; E238-Y242 VanDerWaalsContact O-CD2 3.23Å; E238-Y242 WeakPolarHBondContact O-CD2 3.23Å; E238-Y242 PolarHBondContact O-N 2.98Å
239F94.5Very high92.1Very high89 Ų8968.7 Ų68.739%0.3933%0.334SS..Hα-helixtrans-60.8-51.3175.2-178.4-89.6000112.4F208 M235 F236 L237 V241 M243F208-F239 HydrophobicContact CD1-CB 4.43Å; F208-F239 AromaticContact CD1-CD2 3.82Å; F208-F239 HydrophobicContact CD1-CD2 3.82Å; F208-F239 HydrophobicContact CD2-CD2 4.13Å; F208-F239 VanDerWaalsContact CE1-CA 3.5Å; F208-F239 HydrophobicContact CE1-CB 3.81Å; F208-F239 AromaticContact CE1-CD2 3.89Å; F208-F239 HydrophobicContact CE1-CD2 3.89Å; F208-F239 HydrophobicContact CE1-CG 4.32Å; F208-F239 HydrophobicContact CE2-CD2 4.17Å; F208-F239 AromaticContact CG-CD2 3.98Å; F208-F239 HydrophobicContact CG-CD2 3.98Å; F208-F239 VanDerWaalsContact CZ-CA 3.41Å; F208-F239 HydrophobicContact CZ-CB 4.13Å; F208-F239 HydrophobicContact CZ-CD2 4.07Å; F208-F239 HydrophobicContact CZ-CG 4.46Å; M235-F239 WeakPolarHBondContact O-CB 3.3Å; M235-F239 PolarHBondContact O-N 3.29Å; F236-F239 WeakPolarHBondContact O-CB 3.46Å; F236-F239 PolarHBondContact O-N 3.24Å; L237-F239 PolarHBondContact O-N 3.33Å; F239-V241 VanDerWaalsContact C-N 3.26Å; F239-V241 PolarHBondContact O-N 3.5Å; F239-M243 HydrophobicContact CD1-CG 4.39Å; F239-M243 HydrophobicContact CD2-CG 3.72Å; F239-M243 HydrophobicContact CE1-CB 4.32Å; F239-M243 HydrophobicContact CE1-CG 4.13Å; F239-M243 HydrophobicContact CE2-CB 4.46Å; F239-M243 HydrophobicContact CE2-CG 3.44Å; F239-M243 VanDerWaalsContact CE2-CG 3.44Å; F239-M243 HydrophobicContact CE2-SD 4.36Å; F239-M243 HydrophobicContact CG-CG 4.2Å; F239-M243 HydrophobicContact CZ-CB 4.27Å; F239-M243 HydrophobicContact CZ-CG 3.66Å; F239-M243 WeakPolarHBondContact O-CB 3.32Å; F239-M243 PolarHBondContact O-N 3.28Å
240I95.6Very high92.6Very high98 Ų9867.2 Ų67.250%0.50332%0.324SS..Hα-helixtrans-56.2-44.7177.5-68.5169.2000110.4F236 L237 G244F236-I240 HydrophobicContact CD1-CD1 4.02Å; F236-I240 HydrophobicContact CE1-CD1 3.51Å; F236-I240 HydrophobicContact CE1-CG1 4.36Å; F236-I240 HydrophobicContact CE2-CD1 4.47Å; F236-I240 HydrophobicContact CZ-CD1 3.77Å; F236-I240 HydrophobicContact CZ-CG1 4.23Å; F236-I240 PolarHBondContact O-N 3.48Å; L237-I240 PolarHBondContact O-N 3.39Å; I240-G244 VanDerWaalsContact O-CA 3.25Å; I240-G244 WeakPolarHBondContact O-CA 3.36Å; I240-G244 PolarHBondContact O-N 2.98Å
241V94.8Very high93.1Very high69 Ų6962 Ų6242%0.41831%0.309SS..Hα-helixtrans-66.1-58.4-178174.70000111.6L237 E238 F239 G244 L245L237-V241 HydrophobicContact CD2-CG2 4.22Å; L237-V241 WeakPolarHBondContact O-CG2 3.41Å; L237-V241 PolarHBondContact O-N 3Å; E238-V241 PolarHBondContact O-N 3.16Å; F239-V241 VanDerWaalsContact C-N 3.26Å; F239-V241 PolarHBondContact O-N 3.5Å; V241-G244 PolarHBondContact O-N 3.21Å; V241-L245 HydrophobicContact CG1-CD1 4.04Å; V241-L245 VanDerWaalsContact O-CB 3.3Å; V241-L245 WeakPolarHBondContact O-CB 3.28Å; V241-L245 VanDerWaalsContact O-CG 3.22Å; V241-L245 WeakPolarHBondContact O-CG 3.4Å; V241-L245 PolarHBondContact O-N 3.18Å
242Y94.8Very high93.2Very high41 Ų4158.6 Ų58.616%0.16130%0.295CS..Hα-helixtrans-72.5-39.8-174.1-66.7-66.2000113.2V39 S40 L43 Y207 F208 E238 L246V39-Y242 HydrophobicContact CG1-CD1 3.98Å; V39-Y242 HydrophobicContact CG1-CE1 4.28Å; V39-Y242 HydrophobicContact CG1-CG 4.4Å; S40-Y242 WeakPolarHBondContact OG-CE1 3.43Å; S40-Y242 PolarHBondContact OG-OH 3.02Å; L43-Y242 HydrophobicContact CD2-CD1 3.95Å; Y207-Y242 HydrophobicContact CE1-CD2 4.11Å; Y207-Y242 HydrophobicContact CE1-CE2 4.14Å; F208-Y242 HydrophobicContact CZ-CD2 4.02Å; F208-Y242 HydrophobicContact CZ-CG 4.36Å; E238-Y242 HydrophobicContact CB-CD2 4.37Å; E238-Y242 HydrophobicContact CB-CE2 4.39Å; E238-Y242 VanDerWaalsContact O-CD2 3.23Å; E238-Y242 WeakPolarHBondContact O-CD2 3.23Å; E238-Y242 PolarHBondContact O-N 2.98Å; Y242-L246 WeakPolarHBondContact O-CB 3.48Å; Y242-L246 PolarHBondContact O-N 2.93Å
243M95.4Very high93.3Very high29 Ų2960.6 Ų60.614%0.14331%0.307CS..Hα-helixtrans-70.1-36.9175.3-71.5-65-58.700111.5V204 Y205 F208 F239 L246 K247V204-M243 HydrophobicContact CG1-SD 3.75Å; Y205-M243 HydrophobicContact CD1-SD 4.37Å; Y205-M243 HydrophobicContact CE1-CE 4.02Å; Y205-M243 HydrophobicContact CE1-SD 4.1Å; F208-M243 HydrophobicContact CD2-CG 4.02Å; F208-M243 HydrophobicContact CD2-SD 4.03Å; F208-M243 HydrophobicContact CE2-CG 3.66Å; F208-M243 HydrophobicContact CE2-SD 4.08Å; F208-M243 HydrophobicContact CZ-CG 4.42Å; F239-M243 HydrophobicContact CD1-CG 4.39Å; F239-M243 HydrophobicContact CD2-CG 3.72Å; F239-M243 HydrophobicContact CE1-CB 4.32Å; F239-M243 HydrophobicContact CE1-CG 4.13Å; F239-M243 HydrophobicContact CE2-CB 4.46Å; F239-M243 HydrophobicContact CE2-CG 3.44Å; F239-M243 VanDerWaalsContact CE2-CG 3.44Å; F239-M243 HydrophobicContact CE2-SD 4.36Å; F239-M243 HydrophobicContact CG-CG 4.2Å; F239-M243 HydrophobicContact CZ-CB 4.27Å; F239-M243 HydrophobicContact CZ-CG 3.66Å; F239-M243 WeakPolarHBondContact O-CB 3.32Å; F239-M243 PolarHBondContact O-N 3.28Å; M243-L246 PolarHBondContact O-N 2.89Å; M243-L246 HydrophobicContact SD-CD2 4.36Å; M243-K247 WeakPolarHBondContact O-CB 3.5Å; M243-K247 VanDerWaalsContact O-CG 3.25Å; M243-K247 WeakPolarHBondContact O-CG 3.43Å; M243-K247 PolarHBondContact O-N 2.9Å
244G95.3Very high93.2Very high34 Ų3459.3 Ų59.335%0.35131%0.305SS..Hα-helixtrans-60.7-47.5174.100000111.4I240 V241 L246 K247 V248I240-G244 VanDerWaalsContact O-CA 3.25Å; I240-G244 WeakPolarHBondContact O-CA 3.36Å; I240-G244 PolarHBondContact O-N 2.98Å; V241-G244 PolarHBondContact O-N 3.21Å; G244-L246 PolarHBondContact O-N 2.97Å; G244-K247 WeakPolarHBondContact O-CB 3.27Å; G244-K247 PolarHBondContact O-N 2.76Å; G244-K247 VanDerWaalsContact O-N 3.15Å; G244-V248 WeakPolarHBondContact O-CG2 3.49Å; G244-V248 PolarHBondContact O-N 3.14Å
245L95.5Very high93.1Very high74 Ų7453 Ų5339%0.38728%0.278SS..Hα-helixtrans-61.3-41.4175-76.8175.3000112.8L43 I47 V241 K247 V248 A249L43-L245 HydrophobicContact CD2-CB 3.7Å; L43-L245 HydrophobicContact CD2-CD1 4.31Å; L43-L245 HydrophobicContact CG-CB 4.39Å; I47-L245 HydrophobicContact CD1-CB 3.7Å; I47-L245 HydrophobicContact CD1-CD2 4.02Å; I47-L245 HydrophobicContact CD1-CG 4.32Å; I47-L245 WeakPolarHBondContact CD1-O 3.4Å; V241-L245 HydrophobicContact CG1-CD1 4.04Å; V241-L245 VanDerWaalsContact O-CB 3.3Å; V241-L245 WeakPolarHBondContact O-CB 3.28Å; V241-L245 VanDerWaalsContact O-CG 3.22Å; V241-L245 WeakPolarHBondContact O-CG 3.4Å; V241-L245 PolarHBondContact O-N 3.18Å; L245-K247 VanDerWaalsContact C-N 3.32Å; L245-K247 PolarHBondContact O-N 3.37Å; L245-V248 PolarHBondContact O-N 2.7Å; L245-A249 PolarHBondContact O-N 3.4Å; L245-A249 VanDerWaalsContact O-N 3.17Å
246L95.9Very high92.8Very high0 Ų052.7 Ų52.70%028%0.277CS..Hα-helixtrans-62.1-40.9173.6-17863.8000111.5L43 V200 T201 V204 Y205 Y242 M243 G244 A249 E250L43-L246 HydrophobicContact CD1-CB 4.23Å; L43-L246 HydrophobicContact CD1-CD1 4.06Å; V200-L246 HydrophobicContact CG1-CD1 4.25Å; T201-L246 HydrophobicContact CG2-CD1 3.98Å; T201-L246 HydrophobicContact CG2-CD2 4.34Å; V204-L246 HydrophobicContact CB-CD2 4.11Å; V204-L246 HydrophobicContact CG1-CD2 3.99Å; V204-L246 HydrophobicContact CG2-CD2 4.35Å; Y205-L246 HydrophobicContact CE1-CD2 4.12Å; Y242-L246 WeakPolarHBondContact O-CB 3.48Å; Y242-L246 PolarHBondContact O-N 2.93Å; M243-L246 PolarHBondContact O-N 2.89Å; M243-L246 HydrophobicContact SD-CD2 4.36Å; G244-L246 PolarHBondContact O-N 2.97Å; L246-A249 WeakPolarHBondContact O-CB 3.32Å; L246-A249 PolarHBondContact O-N 2.96Å; L246-E250 WeakPolarHBondContact O-CG 3.37Å; L246-E250 PolarHBondContact O-N 3.49Å
247K94.1Very high92.5Very high107 Ų10749.9 Ų49.947%0.46527%0.268SS..Hα-helixtrans-65.3-39177.3-74.4-73.8167.2-160.20112.8M243 G244 L245 A249 E250 T251M243-K247 WeakPolarHBondContact O-CB 3.5Å; M243-K247 VanDerWaalsContact O-CG 3.25Å; M243-K247 WeakPolarHBondContact O-CG 3.43Å; M243-K247 PolarHBondContact O-N 2.9Å; G244-K247 WeakPolarHBondContact O-CB 3.27Å; G244-K247 PolarHBondContact O-N 2.76Å; G244-K247 VanDerWaalsContact O-N 3.15Å; L245-K247 VanDerWaalsContact C-N 3.32Å; L245-K247 PolarHBondContact O-N 3.37Å; K247-A249 VanDerWaalsContact C-N 3.28Å; K247-A249 PolarHBondContact O-N 3.14Å; K247-E250 WeakPolarHBondContact CD-OE2 3.49Å; K247-E250 WeakPolarHBondContact CE-OE2 3.29Å; K247-E250 IonicContact NZ-OE2 3.65Å; K247-E250 PolarHBondContact NZ-OE2 3.12Å; K247-E250 PolarHBondContact O-N 3.3Å; K247-T251 PolarHBondContact O-N 2.82Å; K247-T251 PolarHBondContact O-OG1 2.88Å
248V92.9Very high92.3Very high70 Ų7050 Ų5042%0.42427%0.266SS..Hα-helixtrans-59.3-41.3172.6171.10000110.9G244 L245 T251 L252G244-V248 WeakPolarHBondContact O-CG2 3.49Å; G244-V248 PolarHBondContact O-N 3.14Å; L245-V248 PolarHBondContact O-N 2.7Å; V248-T251 PolarHBondContact O-OG1 3.17Å; V248-L252 HydrophobicContact CG1-CD1 3.95Å; V248-L252 WeakPolarHBondContact O-CB 3.49Å; V248-L252 VanDerWaalsContact O-CG 3.29Å; V248-L252 WeakPolarHBondContact O-CG 3.49Å; V248-L252 PolarHBondContact O-N 2.92Å
249A93.9Very high92.1Very high0 Ų052.1 Ų52.10%028%0.279CS..Hα-helixtrans-65.2-45.1174.600000111.6Y46 I47 V50 L245 L246 K247 T251 L252 V253Y46-A249 HydrophobicContact CD1-CB 3.82Å; Y46-A249 HydrophobicContact CE1-CB 3.48Å; Y46-A249 VanDerWaalsContact CE1-CB 3.48Å; I47-A249 HydrophobicContact CG1-CB 3.97Å; V50-A249 HydrophobicContact CG2-CB 4.39Å; L245-A249 PolarHBondContact O-N 3.4Å; L245-A249 VanDerWaalsContact O-N 3.17Å; L246-A249 WeakPolarHBondContact O-CB 3.32Å; L246-A249 PolarHBondContact O-N 2.96Å; K247-A249 VanDerWaalsContact C-N 3.28Å; K247-A249 PolarHBondContact O-N 3.14Å; A249-T251 VanDerWaalsContact C-N 3.32Å; A249-T251 PolarHBondContact O-N 3.27Å; A249-L252 PolarHBondContact O-N 3.38Å; A249-V253 WeakPolarHBondContact O-CG2 3.13Å; A249-V253 PolarHBondContact O-N 3.27Å
250E91.9Very high91.8Very high70 Ų7055.9 Ų55.933%0.32730%0.303SS..Hα-helixtrans-58.8-39.7-179.6-74.8177.6-175.200113.1L246 K247L246-E250 WeakPolarHBondContact O-CG 3.37Å; L246-E250 PolarHBondContact O-N 3.49Å; K247-E250 WeakPolarHBondContact CD-OE2 3.49Å; K247-E250 WeakPolarHBondContact CE-OE2 3.29Å; K247-E250 IonicContact NZ-OE2 3.65Å; K247-E250 PolarHBondContact NZ-OE2 3.12Å; K247-E250 PolarHBondContact O-N 3.3Å
251T91.2Very high91.5Very high52 Ų5258 Ų5832%0.31931%0.31SS..Hα-helixtrans-69.3-39.7176.855.90000111.7K247 V248 A249K247-T251 PolarHBondContact O-N 2.82Å; K247-T251 PolarHBondContact O-OG1 2.88Å; V248-T251 PolarHBondContact O-OG1 3.17Å; A249-T251 VanDerWaalsContact C-N 3.32Å; A249-T251 PolarHBondContact O-N 3.27Å
252L91.7Very high91.3Very high27 Ų2755.5 Ų55.514%0.14130%0.295CS..Hα-helixtrans-82.2-13.4-176.4-65176.6000114.6V50 F51 F54 V248 A249 N254V50-L252 HydrophobicContact CG1-CB 3.62Å; F51-L252 HydrophobicContact CD2-CD1 4.22Å; F54-L252 HydrophobicContact CD1-CD2 4.35Å; F54-L252 HydrophobicContact CD2-CD2 3.91Å; F54-L252 HydrophobicContact CE1-CD2 4.46Å; F54-L252 HydrophobicContact CE2-CD2 4.02Å; F54-L252 HydrophobicContact CG-CD2 4.08Å; F54-L252 HydrophobicContact CZ-CD2 4.3Å; V248-L252 HydrophobicContact CG1-CD1 3.95Å; V248-L252 WeakPolarHBondContact O-CB 3.49Å; V248-L252 VanDerWaalsContact O-CG 3.29Å; V248-L252 WeakPolarHBondContact O-CG 3.49Å; V248-L252 PolarHBondContact O-N 2.92Å; A249-L252 PolarHBondContact O-N 3.38Å; L252-N254 VanDerWaalsContact C-N 3.27Å; L252-N254 PolarHBondContact O-N 2.96Å
253V91.1Very high91.1Very high48 Ų4854.2 Ų54.229%0.29129%0.291SS..THydrogen-bonded Turntrans-59.7-38.1179.9158.80000111.8Y46 V50 I192 A249Y46-V253 WeakPolarHBondContact OH-CG2 3.25Å; V50-V253 HydrophobicContact CG1-CG2 4.04Å; V50-V253 HydrophobicContact CG2-CG2 3.85Å; I192-V253 HydrophobicContact CD1-CG2 4.34Å; A249-V253 WeakPolarHBondContact O-CG2 3.13Å; A249-V253 PolarHBondContact O-N 3.27Å
254N88.6Confident91Very high85 Ų8557.3 Ų57.346%0.45531%0.308SS..  trans-13287.5176.4-178.521.9000111.2L252 M256L252-N254 VanDerWaalsContact C-N 3.27Å; L252-N254 PolarHBondContact O-N 2.96Å; N254-M256 PolarHBondContact O-N 2.98Å; N254-M256 VanDerWaalsContact O-N 3.14Å; N254-M256 PolarHBondContact OD1-N 2.76Å
255P87.8Confident91Very high6 Ų655.7 Ų55.74%0.03929%0.291CS..THydrogen-bonded Turntrans-78.79.9-179.637.2-41.2000113.8F54 L57 D262 I263F54-P255 HydrophobicContact CD2-CB 3.54Å; F54-P255 HydrophobicContact CD2-CG 3.87Å; F54-P255 HydrophobicContact CE2-CB 3.69Å; F54-P255 HydrophobicContact CE2-CG 4.42Å; L57-P255 HydrophobicContact CD2-CG 3.48Å; L57-P255 VanDerWaalsContact CD2-CG 3.48Å; P255-D262 WeakPolarHBondContact CA-OD1 3.34Å; P255-D262 WeakPolarHBondContact O-CB 3.41Å; P255-I263 HydrophobicContact CB-CD1 4.29Å; P255-I263 HydrophobicContact CB-CG1 4.27Å; P255-I263 HydrophobicContact CG-CD1 4.43Å; P255-I263 PolarHBondContact O-N 3.07Å
256M84.9Confident90.9Very high7 Ų754 Ų543%0.03428%0.283CS..THydrogen-bonded Turntrans-102.117.1176.4-65.1-69.3179.800112.3L57 L104 N105 L106 M184 N254L57-M256 HydrophobicContact CD1-CE 3.81Å; L57-M256 HydrophobicContact CD2-CE 3.59Å; L57-M256 HydrophobicContact CD2-CG 4.12Å; L57-M256 HydrophobicContact CG-CE 3.75Å; L104-M256 WeakPolarHBondContact O-CB 3.42Å; N105-M256 HydrophobicContact CB-CB 4.24Å; N105-M256 HydrophobicContact CB-SD 3.94Å; N105-M256 PolarHBondContact ND2-O 3.19Å; L106-M256 PolarHBondContact N-O 3.3Å; M184-M256 HydrophobicContact CE-CE 4Å; N254-M256 PolarHBondContact O-N 2.98Å; N254-M256 VanDerWaalsContact O-N 3.14Å; N254-M256 PolarHBondContact OD1-N 2.76Å
257G86.5Confident90.8Very high11 Ų1158.8 Ų58.811%0.11331%0.305CS..SBendtrans-84.9-146.7178.600000113.6I107 D262I107-G257 WeakPolarHBondContact CD1-O 3.43Å; I107-G257 WeakPolarHBondContact CG1-O 3.37Å; G257-D262 WeakPolarHBondContact CA-OD2 3.29Å; G257-D262 PolarHBondContact N-OD2 3.32Å
258E89.4Confident90.9Very high86 Ų8654.4 Ų54.440%0.40229%0.287SS..SBendtrans-125.313-178.5-49.7-166.1150.200112.6L106 I107 K110 D262L106-E258 HydrophobicContact CB-CG 4.39Å; L106-E258 HydrophobicContact CD2-CG 3.93Å; L106-E258 VanDerWaalsContact CD2-OE1 3.27Å; L106-E258 WeakPolarHBondContact CD2-OE1 3.24Å; L106-E258 HydrophobicContact CG-CG 4.35Å; L106-E258 VanDerWaalsContact CG-OE1 3.28Å; L106-E258 WeakPolarHBondContact CG-OE1 3.38Å; I107-E258 HydrophobicContact CG1-CG 3.99Å; K110-E258 VanDerWaalsContact CD-OE1 3.31Å; K110-E258 WeakPolarHBondContact CD-OE1 3.42Å; K110-E258 WeakPolarHBondContact CE-OE1 3.42Å; K110-E258 IonicContact NZ-OE1 3.14Å; K110-E258 PolarHBondContact NZ-OE1 3.19Å; K110-E258 IonicContact NZ-OE2 3.73Å; K110-E258 PolarHBondContact NZ-OE2 2.97Å; E258-D262 PolarHBondContact N-OD2 2.93Å
259N88.3Confident91Very high91 Ų9151.3 Ų51.349%0.48727%0.268SS..SBendtrans-75.4156178.1-52.4-57.9000110.2E261 D262N259-E261 PolarHBondContact O-N 3.35Å; N259-E261 VanDerWaalsContact O-N 3.14Å; N259-D262 WeakPolarHBondContact CB-OD2 3.46Å; N259-D262 PolarHBondContact N-OD2 3.32Å; N259-D262 PolarHBondContact ND2-OD2 3.17Å; N259-D262 VanDerWaalsContact ND2-OD2 3.12Å; N259-D262 VanDerWaalsContact O-CB 3.31Å; N259-D262 WeakPolarHBondContact O-CB 3.2Å; N259-D262 PolarHBondContact O-N 2.86Å
260D89Confident91.2Very high168 Ų16853.1 Ų53.190%0.89828%0.278SS*.THydrogen-bonded Turntrans-60.9-25.5-179.1-58.7-25.3000113.4
261E87.8Confident91.4Very high142 Ų14253.7 Ų53.766%0.66428%0.279SS*.THydrogen-bonded Turntrans-91.9-4.7179.2-58-64.7163.300113.5N259N259-E261 PolarHBondContact O-N 3.35Å; N259-E261 VanDerWaalsContact O-N 3.14Å
262D91.2Very high91.6Very high18 Ų1851.3 Ų51.310%0.09626%0.264CS..SBendtrans-73.3162.2178.9-68.2-19.8000110.5P255 G257 E258 N259 D264P255-D262 WeakPolarHBondContact CA-OD1 3.34Å; P255-D262 WeakPolarHBondContact O-CB 3.41Å; G257-D262 WeakPolarHBondContact CA-OD2 3.29Å; G257-D262 PolarHBondContact N-OD2 3.32Å; E258-D262 PolarHBondContact N-OD2 2.93Å; N259-D262 WeakPolarHBondContact CB-OD2 3.46Å; N259-D262 PolarHBondContact N-OD2 3.32Å; N259-D262 PolarHBondContact ND2-OD2 3.17Å; N259-D262 VanDerWaalsContact ND2-OD2 3.12Å; N259-D262 VanDerWaalsContact O-CB 3.31Å; N259-D262 WeakPolarHBondContact O-CB 3.2Å; N259-D262 PolarHBondContact O-N 2.86Å; D262-D264 PolarHBondContact O-N 3.18Å
263I91.1Very high91.8Very high14 Ų1452.7 Ų52.77%0.07227%0.268CS..  trans-68.8123.6-178.8-63168.9000109.2F54 F58 I61 P255 I265F54-I263 HydrophobicContact CE2-CG1 4.36Å; F58-I263 HydrophobicContact CB-CD1 4.22Å; F58-I263 HydrophobicContact CD2-CD1 4.23Å; F58-I263 HydrophobicContact CD2-CG1 4.35Å; I61-I263 HydrophobicContact CD1-CD1 3.99Å; I61-I263 HydrophobicContact CD1-CG2 3.86Å; P255-I263 HydrophobicContact CB-CD1 4.29Å; P255-I263 HydrophobicContact CB-CG1 4.27Å; P255-I263 HydrophobicContact CG-CD1 4.43Å; P255-I263 PolarHBondContact O-N 3.07Å; I263-I265 PolarHBondContact O-N 2.85Å
264D93.4Very high92Very high93 Ų9356.3 Ų56.350%0.49728%0.28SS..  trans-70.682.2171.4-170-13.4000111D262 N266 E267 V268D262-D264 PolarHBondContact O-N 3.18Å; D264-N266 PolarHBondContact O-N 3.3Å; D264-N266 PolarHBondContact OD1-N 2.91Å; D264-N266 VanDerWaalsContact OD1-N 3.12Å; D264-E267 HydrophobicContact CB-CB 4.22Å; D264-E267 PolarHBondContact O-N 2.92Å; D264-E267 PolarHBondContact OD1-N 3.24Å; D264-V268 WeakPolarHBondContact O-CG2 3.43Å; D264-V268 PolarHBondContact O-N 3.3Å; D264-V268 VanDerWaalsContact O-N 3.13Å
265I94.2Very high92.3Very high0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-64.8-26.5-179.4-165.457.1000112.2N105 I107 A108 I263 V268 I269N105-I265 HydrophobicContact CB-CG1 4.48Å; N105-I265 HydrophobicContact CB-CG2 4.11Å; N105-I265 WeakPolarHBondContact ND2-CG2 3.48Å; N105-I265 WeakPolarHBondContact OD1-CG2 3.43Å; I107-I265 HydrophobicContact CB-CG2 4.4Å; A108-I265 HydrophobicContact CB-CG2 3.97Å; I263-I265 PolarHBondContact O-N 2.85Å; I265-V268 HydrophobicContact CD1-CB 4.34Å; I265-V268 HydrophobicContact CD1-CG1 4.36Å; I265-V268 PolarHBondContact O-N 3.35Å; I265-I269 HydrophobicContact CG1-CD1 4.19Å; I265-I269 WeakPolarHBondContact O-CB 3.39Å; I265-I269 VanDerWaalsContact O-CG1 3.25Å; I265-I269 WeakPolarHBondContact O-CG1 3.27Å; I265-I269 PolarHBondContact O-N 2.83Å
266N94.1Very high92.6Very high39 Ų3954.2 Ų54.221%0.20927%0.27CS..Hα-helixtrans-70.8-44179.9-87.8-28.4000110.4I107 R111 D264 V268 I269 D270I107-N266 WeakPolarHBondContact CG2-ND2 3.36Å; R111-N266 WeakPolarHBondContact CD-OD1 3.11Å; R111-N266 PolarHBondContact NH1-OD1 3.17Å; D264-N266 PolarHBondContact O-N 3.3Å; D264-N266 PolarHBondContact OD1-N 2.91Å; D264-N266 VanDerWaalsContact OD1-N 3.12Å; N266-V268 VanDerWaalsContact C-N 3.31Å; N266-I269 PolarHBondContact O-N 2.66Å; N266-D270 VanDerWaalsContact O-CB 3.27Å; N266-D270 WeakPolarHBondContact O-CB 3.26Å; N266-D270 PolarHBondContact O-N 3.35Å
267E94.5Very high93.1Very high101 Ų10157 Ų5747%0.47228%0.28SS..Hα-helixtrans-63.6-39.2173.7-178.356.8-162.500111.1D264 I269 D270 F271D264-E267 HydrophobicContact CB-CB 4.22Å; D264-E267 PolarHBondContact O-N 2.92Å; D264-E267 PolarHBondContact OD1-N 3.24Å; E267-I269 PolarHBondContact O-N 3.44Å; E267-D270 PolarHBondContact O-N 3.47Å; E267-F271 WeakPolarHBondContact O-CB 3.42Å; E267-F271 PolarHBondContact O-N 3.29Å
268V94.8Very high93.5Very high15 Ų1559.2 Ų59.29%0.09129%0.293CS..Hα-helixtrans-59.7-47.1174170.20000111.9I61 D264 I265 N266 N272I61-V268 HydrophobicContact CG2-CG1 3.69Å; D264-V268 WeakPolarHBondContact O-CG2 3.43Å; D264-V268 PolarHBondContact O-N 3.3Å; D264-V268 VanDerWaalsContact O-N 3.13Å; I265-V268 HydrophobicContact CD1-CB 4.34Å; I265-V268 HydrophobicContact CD1-CG1 4.36Å; I265-V268 PolarHBondContact O-N 3.35Å; N266-V268 VanDerWaalsContact C-N 3.31Å; V268-N272 VanDerWaalsContact O-CB 3.29Å; V268-N272 WeakPolarHBondContact O-CB 3.21Å; V268-N272 PolarHBondContact O-N 3.04Å; V268-N272 PolarHBondContact O-ND2 3.39Å
269I96Very high93.6Very high4 Ų456.1 Ų56.12%0.02128%0.279CS..Hα-helixtrans-61.9-49177.8-72.3165.7000109.9V98 I265 N266 E267 N272 W273V98-I269 HydrophobicContact CG2-CD1 4.46Å; V98-I269 HydrophobicContact CG2-CG1 4.44Å; V98-I269 HydrophobicContact CG2-CG2 3.79Å; I265-I269 HydrophobicContact CG1-CD1 4.19Å; I265-I269 WeakPolarHBondContact O-CB 3.39Å; I265-I269 VanDerWaalsContact O-CG1 3.25Å; I265-I269 WeakPolarHBondContact O-CG1 3.27Å; I265-I269 PolarHBondContact O-N 2.83Å; N266-I269 PolarHBondContact O-N 2.66Å; E267-I269 PolarHBondContact O-N 3.44Å; I269-N272 PolarHBondContact O-N 3.47Å; I269-W273 VanDerWaalsContact O-CB 3.31Å; I269-W273 WeakPolarHBondContact O-CB 3.39Å; I269-W273 PolarHBondContact O-N 3.18Å
270D96.8Very high93.8Very high38 Ų3851.9 Ų51.920%0.20326%0.257CS..Hα-helixtrans-64.7-45.6-176.8-89.230.3000112.3R111 N266 E267 W273 K274R111-D270 IonicContact CZ-OD1 3.47Å; R111-D270 VanDerWaalsContact CZ-OD1 3.22Å; R111-D270 IonicContact NH1-OD1 2.88Å; R111-D270 PolarHBondContact NH1-OD1 3.4Å; R111-D270 IonicContact NH2-OD1 3.38Å; R111-D270 PolarHBondContact NH2-OD1 3.18Å; N266-D270 VanDerWaalsContact O-CB 3.27Å; N266-D270 WeakPolarHBondContact O-CB 3.26Å; N266-D270 PolarHBondContact O-N 3.35Å; E267-D270 PolarHBondContact O-N 3.47Å; D270-W273 PolarHBondContact O-N 2.93Å; D270-K274 VanDerWaalsContact O-CB 3.28Å; D270-K274 WeakPolarHBondContact O-CB 3.49Å; D270-K274 WeakPolarHBondContact O-CD 3.4Å; D270-K274 WeakPolarHBondContact O-CG 3.28Å; D270-K274 PolarHBondContact O-N 3.08Å; D270-K274 IonicContact OD2-NZ 3.55Å; D270-K274 PolarHBondContact OD2-NZ 3.49Å
271F96.5Very high93.9Very high83 Ų8345.8 Ų45.836%0.36422%0.224SC..Hα-helixtrans-61.7-49.9177.2176.6-88.9000110.9W63 E267 W273 K274 T275W63-F271 HydrophobicContact CE3-CD1 4.12Å; W63-F271 HydrophobicContact CE3-CE1 4.16Å; W63-F271 AromaticContact CZ3-CD1 3.59Å; W63-F271 HydrophobicContact CZ3-CD1 3.59Å; W63-F271 AromaticContact CZ3-CE1 3.85Å; W63-F271 HydrophobicContact CZ3-CE1 3.85Å; E267-F271 WeakPolarHBondContact O-CB 3.42Å; E267-F271 PolarHBondContact O-N 3.29Å; F271-W273 VanDerWaalsContact C-N 3.3Å; F271-W273 PolarHBondContact O-N 2.93Å; F271-K274 PolarHBondContact O-N 3.38Å; F271-T275 HydrophobicContact CZ-CG2 4.33Å; F271-T275 WeakPolarHBondContact O-CB 3.41Å; F271-T275 PolarHBondContact O-N 2.92Å; F271-T275 PolarHBondContact O-OG1 3.44Å; F271-T275 VanDerWaalsContact O-OG1 3.11Å
272N96.3Very high93.7Very high1 Ų141.9 Ų41.91%0.00522%0.222CC..Hα-helixtrans-59.2-44.8178.3-83.8-52.4000110.6V64 F90 M94 L97 V268 I269 G276V64-N272 HydrophobicContact CG1-CB 3.8Å; V64-N272 WeakPolarHBondContact CG1-O 3.18Å; V64-N272 PolarHBondContact N-OD1 3.23Å; V64-N272 VanDerWaalsContact N-OD1 3.13Å; F90-N272 WeakPolarHBondContact CZ-O 3.39Å; M94-N272 HydrophobicContact CE-CB 3.62Å; M94-N272 HydrophobicContact SD-CB 3.89Å; L97-N272 HydrophobicContact CD2-CB 4.43Å; V268-N272 VanDerWaalsContact O-CB 3.29Å; V268-N272 WeakPolarHBondContact O-CB 3.21Å; V268-N272 PolarHBondContact O-N 3.04Å; V268-N272 PolarHBondContact O-ND2 3.39Å; I269-N272 PolarHBondContact O-N 3.47Å; N272-G276 WeakPolarHBondContact O-CA 3.28Å; N272-G276 PolarHBondContact O-N 3.46Å
273W95.4Very high93.4Very high57 Ų5746.1 Ų46.122%0.21624%0.242CC..Hα-helixtrans-63.4-55.8178.3-162.3-74.7000111.9R91 M94 I123 I269 D270 F271 W277R91-W273 HydrophobicContact CG-CH2 4.12Å; M94-W273 HydrophobicContact CB-CD2 4.46Å; M94-W273 HydrophobicContact CB-CE3 3.43Å; M94-W273 VanDerWaalsContact CB-CE3 3.43Å; M94-W273 HydrophobicContact CB-CH2 4.24Å; M94-W273 HydrophobicContact CB-CZ3 3.3Å; M94-W273 HydrophobicContact CE-CB 4.06Å; M94-W273 HydrophobicContact CE-CE3 3.88Å; M94-W273 HydrophobicContact CG-CD2 4.49Å; M94-W273 HydrophobicContact CG-CE3 3.84Å; M94-W273 HydrophobicContact CG-CZ3 4.14Å; I123-W273 HydrophobicContact CB-CH2 4.26Å; I123-W273 HydrophobicContact CG1-CH2 3.97Å; I123-W273 HydrophobicContact CG1-CZ3 4.05Å; I123-W273 HydrophobicContact CG2-CH2 4.26Å; I123-W273 HydrophobicContact CG2-CZ3 4.19Å; I269-W273 VanDerWaalsContact O-CB 3.31Å; I269-W273 WeakPolarHBondContact O-CB 3.39Å; I269-W273 PolarHBondContact O-N 3.18Å; D270-W273 PolarHBondContact O-N 2.93Å; F271-W273 VanDerWaalsContact C-N 3.3Å; F271-W273 PolarHBondContact O-N 2.93Å; W273-W277 WeakPolarHBondContact O-CB 3.44Å; W273-W277 PolarHBondContact O-N 3.06Å
274K95.4Very high92.6Very high124 Ų12454.2 Ų54.254%0.53928%0.277SS..Hα-helixtrans-60.9-52.7-176.1-69.8164.9-168.7161.40111.5D270 F271 C278D270-K274 VanDerWaalsContact O-CB 3.28Å; D270-K274 WeakPolarHBondContact O-CB 3.49Å; D270-K274 WeakPolarHBondContact O-CD 3.4Å; D270-K274 WeakPolarHBondContact O-CG 3.28Å; D270-K274 PolarHBondContact O-N 3.08Å; D270-K274 IonicContact OD2-NZ 3.55Å; D270-K274 PolarHBondContact OD2-NZ 3.49Å; F271-K274 PolarHBondContact O-N 3.38Å; K274-C278 WeakPolarHBondContact O-CB 3.36Å; K274-C278 PolarHBondContact O-N 2.92Å; K274-C278 VanDerWaalsContact O-N 3.11Å
275T95.3Very high91.7Very high45 Ų4553.1 Ų53.128%0.27627%0.274SS..Hα-helixtrans-69.3-47.2-176-57.70000111L65 F271 W277 C278 I279L65-T275 HydrophobicContact CD1-CG2 4.41Å; F271-T275 HydrophobicContact CZ-CG2 4.33Å; F271-T275 WeakPolarHBondContact O-CB 3.41Å; F271-T275 PolarHBondContact O-N 2.92Å; F271-T275 PolarHBondContact O-OG1 3.44Å; F271-T275 VanDerWaalsContact O-OG1 3.11Å; T275-W277 PolarHBondContact O-N 3.48Å; T275-C278 WeakPolarHBondContact O-CB 3.33Å; T275-C278 PolarHBondContact O-N 3.03Å; T275-I279 HydrophobicContact CG2-CD1 4.15Å; T275-I279 WeakPolarHBondContact O-CG1 3.34Å; T275-I279 PolarHBondContact O-N 2.81Å; T275-I279 VanDerWaalsContact O-N 3.12Å
276G94.5Very high90.8Very high1 Ų157 Ų571%0.0130%0.301CS..Hα-helixtrans-65.5-40.4-179.600000112.8F90 N272 C278 I279 V280F90-G276 VanDerWaalsContact CE2-C 3.46Å; F90-G276 VanDerWaalsContact CE2-CA 3.41Å; F90-G276 VanDerWaalsContact CZ-C 3.44Å; F90-G276 VanDerWaalsContact CZ-CA 3.49Å; N272-G276 WeakPolarHBondContact O-CA 3.28Å; N272-G276 PolarHBondContact O-N 3.46Å; G276-C278 VanDerWaalsContact C-N 3.34Å; G276-C278 PolarHBondContact O-N 3.39Å; G276-I279 PolarHBondContact O-N 2.91Å; G276-V280 VanDerWaalsContact O-CG2 3.27Å; G276-V280 WeakPolarHBondContact O-CG2 3.42Å; G276-V280 PolarHBondContact O-N 3.27Å
277W94.8Very high90.3Very high67 Ų6759.1 Ų59.125%0.25432%0.324SS..Hα-helixtrans-64.4-39175.5-164.5-111.6000112.7R87 F90 R91 W273 T275 I279 V280 D281R87-W277 HydrophobicContact CB-CH2 4.24Å; R87-W277 HydrophobicContact CB-CZ3 4.27Å; R87-W277 VanDerWaalsContact NH1-CZ2 3.31Å; F90-W277 AromaticContact CD1-CE3 3.39Å; F90-W277 HydrophobicContact CD1-CE3 3.39Å; F90-W277 AromaticContact CD1-CZ3 3.82Å; F90-W277 HydrophobicContact CD1-CZ3 3.82Å; F90-W277 HydrophobicContact CE1-CB 4.21Å; F90-W277 AromaticContact CE1-CE3 3.81Å; F90-W277 HydrophobicContact CE1-CE3 3.81Å; F90-W277 HydrophobicContact CG-CE3 4.28Å; R91-W277 HydrophobicContact CB-CZ3 4.37Å; W273-W277 WeakPolarHBondContact O-CB 3.44Å; W273-W277 PolarHBondContact O-N 3.06Å; T275-W277 PolarHBondContact O-N 3.48Å; W277-I279 VanDerWaalsContact C-N 3.29Å; W277-I279 PolarHBondContact O-N 3.29Å; W277-V280 PolarHBondContact O-N 3.28Å; W277-D281 PolarHBondContact O-N 2.73Å; W277-D281 VanDerWaalsContact O-N 3.14Å
278C94.2Very high90Very high57 Ų5760 Ų6039%0.38534%0.338SS..Iπ-helixtrans-59-41.9173.7-171.90000111.1K274 T275 G276 G282 M283K274-C278 WeakPolarHBondContact O-CB 3.36Å; K274-C278 PolarHBondContact O-N 2.92Å; K274-C278 VanDerWaalsContact O-N 3.11Å; T275-C278 WeakPolarHBondContact O-CB 3.33Å; T275-C278 PolarHBondContact O-N 3.03Å; G276-C278 VanDerWaalsContact C-N 3.34Å; G276-C278 PolarHBondContact O-N 3.39Å; C278-G282 CarbonylContact O-C 3.59Å; C278-G282 WeakPolarHBondContact O-CA 3.27Å; C278-G282 PolarHBondContact O-N 3.26Å; C278-M283 WeakPolarHBondContact O-CG 3.37Å; C278-M283 PolarHBondContact O-N 2.76Å
279I93.1Very high89.7Confident21 Ų2162.7 Ų62.711%0.10836%0.362CS..Iπ-helixtrans-69.1-42.6179.9-68.4165.6000111.8L65 A68 I69 S72 T275 G276 W277 D281 M283L65-I279 HydrophobicContact CD1-CD1 3.03Å; A68-I279 HydrophobicContact CB-CB 4.34Å; A68-I279 HydrophobicContact CB-CG2 4.13Å; I69-I279 HydrophobicContact CG1-CD1 4.46Å; I69-I279 HydrophobicContact CG1-CG2 4.21Å; S72-I279 PolarHBondContact OG-O 2.87Å; T275-I279 HydrophobicContact CG2-CD1 4.15Å; T275-I279 WeakPolarHBondContact O-CG1 3.34Å; T275-I279 PolarHBondContact O-N 2.81Å; T275-I279 VanDerWaalsContact O-N 3.12Å; G276-I279 PolarHBondContact O-N 2.91Å; W277-I279 VanDerWaalsContact C-N 3.29Å; W277-I279 PolarHBondContact O-N 3.29Å; I279-D281 PolarHBondContact O-N 2.9Å; I279-M283 HydrophobicContact CG1-CE 3.85Å; I279-M283 HydrophobicContact CG1-SD 3.86Å
280V92.5Very high89.5Confident2 Ų269.5 Ų69.51%0.01240%0.397CS..Iπ-helixtrans-72-29.1-173.8174.80000113.6A68 I71 S72 R86 F90 G276 W277A68-V280 HydrophobicContact CB-CG2 3.86Å; I71-V280 HydrophobicContact CG2-CG2 4.02Å; S72-V280 WeakPolarHBondContact OG-CA 3.49Å; R86-V280 HydrophobicContact CB-CG1 3.66Å; R86-V280 PolarHBondContact NE-O 2.69Å; R86-V280 VanDerWaalsContact NE-O 3.17Å; R86-V280 WeakPolarHBondContact O-CG1 3.26Å; F90-V280 HydrophobicContact CB-CG1 4.23Å; F90-V280 HydrophobicContact CB-CG2 4.17Å; F90-V280 HydrophobicContact CD2-CG2 3.76Å; F90-V280 HydrophobicContact CG-CG2 4.14Å; G276-V280 VanDerWaalsContact O-CG2 3.27Å; G276-V280 WeakPolarHBondContact O-CG2 3.42Å; G276-V280 PolarHBondContact O-N 3.27Å; W277-V280 PolarHBondContact O-N 3.28Å
281D90.7Very high89.4Confident39 Ų3971.9 Ų71.921%0.20941%0.413CS..Iπ-helixtrans-139.6-29.8-175.2-163.440.7000115.3R83 R87 W277 I279R83-D281 WeakPolarHBondContact CD-OD1 3.31Å; R83-D281 VanDerWaalsContact CG-OD1 3.3Å; R83-D281 WeakPolarHBondContact CG-OD1 3.31Å; R83-D281 IonicContact CZ-OD1 2.66Å; R83-D281 IonicContact CZ-OD2 3Å; R83-D281 IonicContact NE-OD1 3.63Å; R83-D281 PolarHBondContact NE-OD1 2.71Å; R83-D281 IonicContact NE-OD2 3.58Å; R83-D281 PolarHBondContact NE-OD2 3.12Å; R83-D281 VanDerWaalsContact NE-OD2 3.14Å; R83-D281 IonicContact NH2-OD1 2.8Å; R83-D281 IonicContact NH2-OD2 3.09Å; R83-D281 PolarHBondContact NH2-OD2 3.14Å; R87-D281 HydrophobicContact CG-CB 4.22Å; R87-D281 IonicContact CZ-OD2 3.68Å; R87-D281 IonicContact NE-OD2 3.71Å; R87-D281 IonicContact NH1-OD2 2.8Å; R87-D281 PolarHBondContact NH1-OD2 3.17Å; W277-D281 PolarHBondContact O-N 2.73Å; W277-D281 VanDerWaalsContact O-N 3.14Å; I279-D281 PolarHBondContact O-N 2.9Å
282G84Confident89.3Confident60 Ų6074.4 Ų74.462%0.61942%0.42SS*.Iπ-helixtrans-82.1-27.9-175.100000114.7C278C278-G282 CarbonylContact O-C 3.59Å; C278-G282 WeakPolarHBondContact O-CA 3.27Å; C278-G282 PolarHBondContact O-N 3.26Å
283M84.6Confident89.1Confident107 Ų10778.4 Ų78.453%0.52744%0.442SS..SBendtrans-85.8138.2178.8-67.5-172.8-178.200110.6C278 I279 T285C278-M283 WeakPolarHBondContact O-CG 3.37Å; C278-M283 PolarHBondContact O-N 2.76Å; I279-M283 HydrophobicContact CG1-CE 3.85Å; I279-M283 HydrophobicContact CG1-SD 3.86Å; M283-T285 PolarHBondContact O-N 2.69Å
284K74.6Confident88.9Confident185 Ų18584.6 Ų84.680%0.80447%0.47SS*.  trans-65.6120166.1-71.4-178.1179.9-179.70107.7S286K284-S286 PolarHBondContact O-N 3.41Å
285T73.4Confident88.8Confident69 Ų6980.5 Ų80.542%0.42345%0.453SS..SBendtrans-65.8-23.8176.449.70000112.3M283M283-T285 PolarHBondContact O-N 2.69Å
286S76.2Confident88.6Confident82 Ų8286 Ų8657%0.57347%0.469SS*.SBendtrans-75.9123.7173.262.80000110.6K284K284-S286 PolarHBondContact O-N 3.41Å
287A82Confident88.5Confident83 Ų8394.9 Ų94.969%0.68651%0.51SS*.PPolyproline II helixtrans-57.8153.5170.900000111.5
288P88.2Confident88.3Confident119 Ų11996.6 Ų96.677%0.77352%0.521SS*.PPolyproline II helixtrans-54.9160.8165.3-22.133.6000111.5I290P288-I290 PolarHBondContact O-N 2.89Å
289A90.2Very high88.1Confident73 Ų73100 Ų10060%0.60355%0.545SS*.PPolyproline II helixtrans-55.3133176.400000110.7V291A289-V291 PolarHBondContact O-N 2.9Å
290I91.6Very high87.9Confident146 Ų146104.3 Ų104.375%0.74957%0.572SS**PPolyproline II helixtrans-70.4119.5177.7-57.4174000107.6P288P288-I290 PolarHBondContact O-N 2.89Å
291V93.8Very high87.7Confident88 Ų88108.2 Ų108.253%0.53359%0.592SS.*  trans-126.8151.2179.4-65.20000109.6A289 D293A289-V291 PolarHBondContact O-N 2.9Å; V291-D293 PolarHBondContact O-N 2.94Å
292R94.1Very high87.4Confident136 Ų136114.6 Ų114.651%0.51362%0.621SS.*  trans-61.7129.9170.9-66180-178.3129.61.6108.7W296R292-W296 HydrophobicContact CB-CB 4.07Å; R292-W296 HydrophobicContact CB-CD2 4.02Å; R292-W296 HydrophobicContact CB-CE3 4.27Å; R292-W296 HydrophobicContact CB-CG 3.91Å; R292-W296 HydrophobicContact CG-CD2 3.72Å; R292-W296 HydrophobicContact CG-CE3 4.14Å; R292-W296 HydrophobicContact CG-CG 3.9Å; R292-W296 HydrophobicContact CG-CZ2 4.47Å
293D92.4Very high87.7Confident86 Ų86117.5 Ų117.546%0.4662%0.622SS.*  trans-74.4170.5175.267.490.6000111.3V291 H295 W296V291-D293 PolarHBondContact O-N 2.94Å; D293-H295 PolarHBondContact O-N 3.47Å; D293-H295 VanDerWaalsContact OD1-C 3.31Å; D293-H295 VanDerWaalsContact OD1-CA 3.27Å; D293-H295 WeakPolarHBondContact OD1-CA 3.34Å; D293-H295 WeakPolarHBondContact OD1-CB 3.46Å; D293-H295 PolarHBondContact OD1-N 3.26Å; D293-W296 WeakPolarHBondContact O-CB 3.38Å; D293-W296 PolarHBondContact O-N 3.47Å; D293-W296 PolarHBondContact OD1-N 3.46Å
294F91.9Very high87.9Confident186 Ų186118.1 Ų118.182%0.81663%0.634SS**THydrogen-bonded Turntrans-61.3-25.1-178.2-178.3-95.9000113.5
295H92.2Very high88.7Confident38 Ų38114.5 Ų114.518%0.17662%0.619CS.*THydrogen-bonded Turntrans-104.815.6-176.3-59.9-75.6000113D293 Q297 Q298 I301D293-H295 PolarHBondContact O-N 3.47Å; D293-H295 VanDerWaalsContact OD1-C 3.31Å; D293-H295 VanDerWaalsContact OD1-CA 3.27Å; D293-H295 WeakPolarHBondContact OD1-CA 3.34Å; D293-H295 WeakPolarHBondContact OD1-CB 3.46Å; D293-H295 PolarHBondContact OD1-N 3.26Å; H295-Q297 PolarHBondContact O-N 3.4Å; H295-Q298 HydrophobicContact CB-CB 4.47Å; H295-Q298 PolarHBondContact ND1-OE1 3.46Å; H295-Q298 WeakPolarHBondContact O-CB 3.46Å; H295-Q298 PolarHBondContact O-N 2.93Å; H295-I301 HydrophobicContact CB-CD1 3.51Å; H295-I301 HydrophobicContact CB-CG1 3.81Å
296W92.3Very high89.6Confident161 Ų161115.8 Ų115.861%0.6163%0.627SS**THydrogen-bonded Turntrans-50-32-172.9-177.5-99.6000115.7R292 D293R292-W296 HydrophobicContact CB-CB 4.07Å; R292-W296 HydrophobicContact CB-CD2 4.02Å; R292-W296 HydrophobicContact CB-CE3 4.27Å; R292-W296 HydrophobicContact CB-CG 3.91Å; R292-W296 HydrophobicContact CG-CD2 3.72Å; R292-W296 HydrophobicContact CG-CE3 4.14Å; R292-W296 HydrophobicContact CG-CG 3.9Å; R292-W296 HydrophobicContact CG-CZ2 4.47Å; D293-W296 WeakPolarHBondContact O-CB 3.38Å; D293-W296 PolarHBondContact O-N 3.47Å; D293-W296 PolarHBondContact OD1-N 3.46Å
297Q91.5Very high90.3Very high188 Ų188119.5 Ų119.588%0.87964%0.635SS**THydrogen-bonded Turntrans-95.9-0.5-179.6-65.4-176.5-15.600114.2H295H295-Q297 PolarHBondContact O-N 3.4Å
298Q91.7Very high90.8Very high103 Ų103121.2 Ų121.248%0.48163%0.629SS.*  trans-102.2126.2-174.9-62.6178.4-9.500110.4H295 I301H295-Q298 HydrophobicContact CB-CB 4.47Å; H295-Q298 PolarHBondContact ND1-OE1 3.46Å; H295-Q298 WeakPolarHBondContact O-CB 3.46Å; H295-Q298 PolarHBondContact O-N 2.93Å; Q298-I301 HydrophobicContact CB-CG1 4.4Å
299S89.7Confident90.9Very high127 Ų127117 Ų11789%0.88860%0.603SS**SBendtrans-84.3-22.4174.656.90000113.3
300V88.8Confident90.8Very high113 Ų113121.1 Ų121.169%0.68561%0.607SS**SBendtrans-127.4119.5175.8-1780000107.5
301I88.5Confident90.5Very high83 Ų83123.4 Ų123.443%0.42661%0.606SS.*  trans-106.9121.7-176.7-58.3172000108.4H295 Q298 L303H295-I301 HydrophobicContact CB-CD1 3.51Å; H295-I301 HydrophobicContact CB-CG1 3.81Å; Q298-I301 HydrophobicContact CB-CG1 4.4Å; I301-L303 HydrophobicContact CG2-CD2 3.93Å; I301-L303 HydrophobicContact CG2-CG 4.35Å
302E84.3Confident90.2Very high173 Ų173126 Ų12681%0.80862%0.616SS**  trans-106.8107.2166.3-68.6-173.5176.500108.3
303L90Very high89.4Confident122 Ų122122.3 Ų122.364%0.63961%0.614SS**PPolyproline II helixtrans-67.3140178.7-65.1175.9000110.1I301 H305I301-L303 HydrophobicContact CG2-CD2 3.93Å; I301-L303 HydrophobicContact CG2-CG 4.35Å; L303-H305 PolarHBondContact O-N 3.16Å
304P89.3Confident88.7Confident120 Ų120123.5 Ų123.578%0.77963%0.63SS**PPolyproline II helixtrans-66.1136.7-179.327.4-34000111
305H89.7Confident88.2Confident109 Ų109125.3 Ų125.351%0.50563%0.631SS.*PPolyproline II helixtrans-93.2143.5171.3-80-95.8000110.5L303 S309 K310L303-H305 PolarHBondContact O-N 3.16Å; H305-S309 WeakPolarHBondContact CA-OG 3.38Å; H305-S309 VanDerWaalsContact CB-OG 3.26Å; H305-S309 WeakPolarHBondContact CB-OG 3.3Å; H305-S309 PolarHBondContact ND1-O 3.34Å; H305-S309 PolarHBondContact ND1-OG 2.86Å; H305-K310 HydrophobicContact CB-CB 4.18Å
306T93.3Very high87.9Confident96 Ų96128.4 Ų128.459%0.58965%0.654SS**PPolyproline II helixtrans-66.8163.1164.661.20000109.4E308 S309 K310T306-E308 PolarHBondContact O-N 3.48Å; T306-S309 PolarHBondContact N-OG 3.31Å; T306-S309 PolarHBondContact O-N 2.87Å; T306-S309 VanDerWaalsContact O-N 3.14Å; T306-S309 PolarHBondContact O-OG 3.42Å; T306-S309 PolarHBondContact OG1-N 2.77Å; T306-S309 PolarHBondContact OG1-OG 3.04Å; T306-K310 PolarHBondContact O-N 2.99Å
307Q91.3Very high87.7Confident160 Ų160129.5 Ų129.575%0.74866%0.664SS**THydrogen-bonded Turntrans-55.8-38.1179.8-173.8169.12.300112.3
308E91.3Very high87.5Confident119 Ų119128.3 Ų128.356%0.55665%0.651SS**THydrogen-bonded Turntrans-71.8-43.6176.4-61.7-49.8126.500112.4T306 K310 R311T306-E308 PolarHBondContact O-N 3.48Å; E308-K310 VanDerWaalsContact C-N 3.27Å; E308-K310 PolarHBondContact O-N 2.88Å; E308-R311 PolarHBondContact O-N 3.36Å; E308-R311 IonicContact OE2-NH1 3.41Å
309S92Very high87.3Confident31 Ų31124.7 Ų124.722%0.21764%0.642CS.*G310 helixtrans-74.1-18.4-177.575.80000113.4H305 T306 R311 L312 A313H305-S309 WeakPolarHBondContact CA-OG 3.38Å; H305-S309 VanDerWaalsContact CB-OG 3.26Å; H305-S309 WeakPolarHBondContact CB-OG 3.3Å; H305-S309 PolarHBondContact ND1-O 3.34Å; H305-S309 PolarHBondContact ND1-OG 2.86Å; T306-S309 PolarHBondContact N-OG 3.31Å; T306-S309 PolarHBondContact O-N 2.87Å; T306-S309 VanDerWaalsContact O-N 3.14Å; T306-S309 PolarHBondContact O-OG 3.42Å; T306-S309 PolarHBondContact OG1-N 2.77Å; T306-S309 PolarHBondContact OG1-OG 3.04Å; S309-R311 PolarHBondContact O-N 2.95Å; S309-L312 CarbonylContact O-C 3.59Å; S309-L312 WeakPolarHBondContact O-CA 3.38Å; S309-L312 WeakPolarHBondContact O-CB 3.34Å; S309-L312 PolarHBondContact O-N 3.1Å; S309-A313 PolarHBondContact O-N 2.76Å
310K86.5Confident87.3Confident158 Ų158124 Ų12469%0.68764%0.637SS**G310 helixtrans-63-31.4177.1-166.2173.5-175.6175.80112.7H305 T306 E308 L312 A313H305-K310 HydrophobicContact CB-CB 4.18Å; T306-K310 PolarHBondContact O-N 2.99Å; E308-K310 VanDerWaalsContact C-N 3.27Å; E308-K310 PolarHBondContact O-N 2.88Å; K310-L312 PolarHBondContact O-N 3.04Å; K310-A313 WeakPolarHBondContact O-CB 3.34Å; K310-A313 PolarHBondContact O-N 2.98Å
311R86.3Confident87.4Confident195 Ų195123.2 Ų123.274%0.73663%0.633SS**G310 helixtrans-69.8-21.4174.3-63.2177.9178.9158.1-1.7112.5E308 S309E308-R311 PolarHBondContact O-N 3.36Å; E308-R311 IonicContact OE2-NH1 3.41Å; S309-R311 PolarHBondContact O-N 2.95Å
312L87.2Confident87.3Confident143 Ų143125.6 Ų125.675%0.74964%0.637SS**G310 helixtrans-94.9-0.1178.8-55.3174.8000112.6S309 K310 S314S309-L312 CarbonylContact O-C 3.59Å; S309-L312 WeakPolarHBondContact O-CA 3.38Å; S309-L312 WeakPolarHBondContact O-CB 3.34Å; S309-L312 PolarHBondContact O-N 3.1Å; K310-L312 PolarHBondContact O-N 3.04Å; L312-S314 PolarHBondContact O-N 2.78Å
313A78.4Confident87.3Confident57 Ų57124.1 Ų124.147%0.47164%0.635SS.*  trans-63.6112.8-178.200000110.1S309 K310S309-A313 PolarHBondContact O-N 2.76Å; K310-A313 WeakPolarHBondContact O-CB 3.34Å; K310-A313 PolarHBondContact O-N 2.98Å
314S77.6Confident87.1Confident112 Ų112122.6 Ų122.678%0.78363%0.627SS**PPolyproline II helixtrans-86.5148.2176.8-170.80000110.5L312L312-S314 PolarHBondContact O-N 2.78Å
315R80.6Confident86.8Confident224 Ų224124 Ų12485%0.84563%0.628SS**PPolyproline II helixtrans-71.5146.5170.3-65.8-177.9179.5-176.1-0.1108.9F317R315-F317 PolarHBondContact O-N 3.43Å
316P85.5Confident86.3Confident102 Ų102126.8 Ų126.866%0.66264%0.639SS**PPolyproline II helixtrans-58129.2176.423.5-33000110R318P316-R318 PolarHBondContact O-N 3.28Å
317F88.2Confident85.4Confident184 Ų184127.5 Ų127.581%0.80764%0.644SS**PPolyproline II helixtrans-67.1118.3175.5178.4-104.7000109.3R315R315-F317 PolarHBondContact O-N 3.43Å
318R87Confident84.4Confident163 Ų163126.9 Ų126.962%0.61564%0.64SS**  trans-97.3-3.8-178-58.8-171.3179.6-175.1-2.4114P316 Y322P316-R318 PolarHBondContact O-N 3.28Å; R318-Y322 HydrophobicContact CB-CD1 3.95Å; R318-Y322 HydrophobicContact CB-CD2 3.83Å; R318-Y322 HydrophobicContact CB-CE2 4.4Å; R318-Y322 HydrophobicContact CB-CG 3.58Å; R318-Y322 HydrophobicContact CG-CD1 4.48Å; R318-Y322 WeakPolarHBondContact O-CB 3.49Å
319G88.1Confident83.5Confident28 Ų28124.5 Ų124.529%0.28963%0.633SS.*  trans94.6146-16700000112.2T321 Y322G319-T321 PolarHBondContact O-N 2.88Å; G319-Y322 WeakPolarHBondContact O-CB 3.48Å; G319-Y322 PolarHBondContact O-N 3.47Å
320S90.4Very high82.4Confident113 Ų113127.9 Ų127.979%0.7966%0.655SS**THydrogen-bonded Turntrans-65.3-26.9-176.353.40000113.6
321T89.8Confident81.4Confident95 Ų95126.4 Ų126.458%0.58365%0.654SS**THydrogen-bonded Turntrans-95-0.2-178.256.20000113.8G319 N323 I324G319-T321 PolarHBondContact O-N 2.88Å; T321-N323 VanDerWaalsContact C-N 3.25Å; T321-N323 PolarHBondContact O-N 3.44Å; T321-N323 VanDerWaalsContact O-N 3.14Å; T321-I324 HydrophobicContact CG2-CD1 3.89Å; T321-I324 VanDerWaalsContact O-CB 3.29Å; T321-I324 WeakPolarHBondContact O-CB 3.27Å; T321-I324 WeakPolarHBondContact O-CG1 3.29Å; T321-I324 PolarHBondContact O-N 3.36Å
322Y87.5Confident80.3Confident133 Ų133122.4 Ų122.452%0.52265%0.645SS.*THydrogen-bonded Turntrans-57.5-35.2-170.9-176.8-93.2000114R318 G319 I324R318-Y322 HydrophobicContact CB-CD1 3.95Å; R318-Y322 HydrophobicContact CB-CD2 3.83Å; R318-Y322 HydrophobicContact CB-CE2 4.4Å; R318-Y322 HydrophobicContact CB-CG 3.58Å; R318-Y322 HydrophobicContact CG-CD1 4.48Å; R318-Y322 WeakPolarHBondContact O-CB 3.49Å; G319-Y322 WeakPolarHBondContact O-CB 3.48Å; G319-Y322 PolarHBondContact O-N 3.47Å; Y322-I324 VanDerWaalsContact C-N 3.3Å; Y322-I324 PolarHBondContact O-N 3.38Å
323N84.5Confident79.1Confident142 Ų142119.3 Ų119.376%0.75963%0.629SS**THydrogen-bonded Turntrans-86.23.1179.3-67.2-27.7000113.5T321 N325T321-N323 VanDerWaalsContact C-N 3.25Å; T321-N323 PolarHBondContact O-N 3.44Å; T321-N323 VanDerWaalsContact O-N 3.14Å; N323-N325 PolarHBondContact O-N 2.9Å
324I84.8Confident78.3Confident91 Ų91118.7 Ų118.747%0.46763%0.627SS.*  trans-84.8101.3178.6-55.5178000108.3T321 Y322 F326T321-I324 HydrophobicContact CG2-CD1 3.89Å; T321-I324 VanDerWaalsContact O-CB 3.29Å; T321-I324 WeakPolarHBondContact O-CB 3.27Å; T321-I324 WeakPolarHBondContact O-CG1 3.29Å; T321-I324 PolarHBondContact O-N 3.36Å; Y322-I324 VanDerWaalsContact C-N 3.3Å; Y322-I324 PolarHBondContact O-N 3.38Å; I324-F326 HydrophobicContact CB-CE2 4.5Å; I324-F326 HydrophobicContact CG2-CD2 4.16Å; I324-F326 HydrophobicContact CG2-CE1 4.37Å; I324-F326 HydrophobicContact CG2-CE2 3.66Å; I324-F326 HydrophobicContact CG2-CZ 3.79Å
325N82.9Confident77.5Confident150 Ų150116.7 Ų116.780%0.80261%0.614SS**PPolyproline II helixtrans-85.6118.1169.2-65.7-40000109N323N323-N325 PolarHBondContact O-N 2.9Å
326F79.2Confident76.6Confident167 Ų167109.1 Ų109.173%0.73260%0.599SS**PPolyproline II helixtrans-83.8132167.2-69.1-84.1000109.1I324 F328I324-F326 HydrophobicContact CB-CE2 4.5Å; I324-F326 HydrophobicContact CG2-CD2 4.16Å; I324-F326 HydrophobicContact CG2-CE1 4.37Å; I324-F326 HydrophobicContact CG2-CE2 3.66Å; I324-F326 HydrophobicContact CG2-CZ 3.79Å; F326-F328 PolarHBondContact O-N 3.23Å
327P73.9Confident75.4Confident110 Ų110108.8 Ų108.871%0.71459%0.591SS**PPolyproline II helixtrans-62.2123.5173.325-31000108.9T329P327-T329 PolarHBondContact O-N 3.04Å
328F70.6Confident73.9Confident148 Ų148102.7 Ų102.765%0.64957%0.571SS**  trans-74106.4180-167-96.5000109.6F326 I333F326-F328 PolarHBondContact O-N 3.23Å; F328-I333 HydrophobicContact CE1-CD1 3.31Å; F328-I333 HydrophobicContact CE1-CG1 3.59Å; F328-I333 HydrophobicContact CE2-CG1 4.25Å; F328-I333 HydrophobicContact CZ-CD1 3.35Å; F328-I333 HydrophobicContact CZ-CG1 3.2Å
329T72.3Confident72.3Confident69 Ų69101.5 Ų101.542%0.42358%0.576SS.*  trans-85136.9169.350.10000109.3P327 D331 M332P327-T329 PolarHBondContact O-N 3.04Å; T329-D331 PolarHBondContact O-N 2.93Å; T329-M332 WeakPolarHBondContact O-CB 3.28Å; T329-M332 PolarHBondContact O-N 3.29Å
330P68.6Low70.7Confident102 Ų102103.9 Ų103.966%0.66259%0.588SS**Hα-helixtrans-53-30.9178-24.531.8000113.4M332 I333P330-M332 PolarHBondContact O-N 3.3Å; P330-I333 PolarHBondContact O-N 3.42Å
331D67Low68.9Low127 Ų127105.1 Ų105.168%0.67959%0.585SS**Hα-helixtrans-62.6-26.7178.1-60.7-17.7000112.9T329 I333 G334 S335T329-D331 PolarHBondContact O-N 2.93Å; D331-I333 VanDerWaalsContact C-N 3.35Å; D331-I333 PolarHBondContact O-N 2.99Å; D331-G334 PolarHBondContact O-N 2.8Å; D331-S335 PolarHBondContact O-N 3.27Å; D331-S335 PolarHBondContact O-OG 3.29Å
332M62.7Low67.1Low110 Ų110107.6 Ų107.654%0.54259%0.594SS.*Hα-helixtrans-65.1-35.6176.7-79.4-172.675.900112.7T329 P330 A336T329-M332 WeakPolarHBondContact O-CB 3.28Å; T329-M332 PolarHBondContact O-N 3.29Å; P330-M332 PolarHBondContact O-N 3.3Å; M332-A336 WeakPolarHBondContact O-CB 3.34Å; M332-A336 PolarHBondContact O-N 3.16Å
333I62.6Low65.1Low79 Ų79103.8 Ų103.841%0.40560%0.595SS.*Hα-helixtrans-66.7-43.3173.9-62.7168.6000109.6F328 P330 D331 S335 A336 L337F328-I333 HydrophobicContact CE1-CD1 3.31Å; F328-I333 HydrophobicContact CE1-CG1 3.59Å; F328-I333 HydrophobicContact CE2-CG1 4.25Å; F328-I333 HydrophobicContact CZ-CD1 3.35Å; F328-I333 HydrophobicContact CZ-CG1 3.2Å; P330-I333 PolarHBondContact O-N 3.42Å; D331-I333 VanDerWaalsContact C-N 3.35Å; D331-I333 PolarHBondContact O-N 2.99Å; I333-S335 VanDerWaalsContact C-N 3.3Å; I333-S335 PolarHBondContact O-N 2.97Å; I333-A336 PolarHBondContact O-N 2.63Å; I333-L337 HydrophobicContact CG2-CD1 3.53Å; I333-L337 HydrophobicContact CG2-CG 3.93Å; I333-L337 WeakPolarHBondContact O-CB 3.45Å; I333-L337 WeakPolarHBondContact O-CG 3.49Å; I333-L337 PolarHBondContact O-N 3.15Å
334G60.2Low63.1Low43 Ų43105.6 Ų105.644%0.44360%0.598SS.*Hα-helixtrans-58.3-43179.600000112.2D331 S338D331-G334 PolarHBondContact O-N 2.8Å; G334-S338 WeakPolarHBondContact O-CB 3.37Å; G334-S338 PolarHBondContact O-N 2.98Å; G334-S338 PolarHBondContact O-OG 3.42Å
335S62.1Low60.8Low71 Ų71106.8 Ų106.850%0.49762%0.615SS.*Hα-helixtrans-71.5-33.9176.3-58.70000114D331 I333 S338 L339D331-S335 PolarHBondContact O-N 3.27Å; D331-S335 PolarHBondContact O-OG 3.29Å; I333-S335 VanDerWaalsContact C-N 3.3Å; I333-S335 PolarHBondContact O-N 2.97Å; S335-S338 WeakPolarHBondContact CA-OG 3.24Å; S335-S338 PolarHBondContact O-OG 3.41Å; S335-L339 PolarHBondContact O-N 2.79Å
336A61.1Low58.7Low64 Ų64107.7 Ų107.753%0.52961%0.614SS.*Hα-helixtrans-72-41.3176.400000112M332 I333 L339 S340M332-A336 WeakPolarHBondContact O-CB 3.34Å; M332-A336 PolarHBondContact O-N 3.16Å; I333-A336 PolarHBondContact O-N 2.63Å; A336-L339 PolarHBondContact O-N 3.18Å; A336-S340 PolarHBondContact O-N 3.22Å
337L59.1Low56.4Low95 Ų95106.8 Ų106.850%0.49762%0.617SS.*Hα-helixtrans-68.5-39176.9-70.8176.7000111.5I333 L339 S340 L341I333-L337 HydrophobicContact CG2-CD1 3.53Å; I333-L337 HydrophobicContact CG2-CG 3.93Å; I333-L337 WeakPolarHBondContact O-CB 3.45Å; I333-L337 WeakPolarHBondContact O-CG 3.49Å; I333-L337 PolarHBondContact O-N 3.15Å; L337-L339 VanDerWaalsContact C-N 3.3Å; L337-L339 PolarHBondContact O-N 3.49Å; L337-S340 PolarHBondContact O-N 3.26Å; L337-S340 VanDerWaalsContact O-N 3.16Å; L337-S340 PolarHBondContact O-OG 3.2Å; L337-L341 WeakPolarHBondContact O-CB 3.41Å; L337-L341 WeakPolarHBondContact O-CD1 3.37Å; L337-L341 WeakPolarHBondContact O-CG 3.41Å; L337-L341 PolarHBondContact O-N 2.89Å
338S57.7Low54.6Low57 Ų57109.4 Ų109.440%0.39962%0.624SS.*Hα-helixtrans-63.2-35.7178.366.30000112.7G334 S335 I342G334-S338 WeakPolarHBondContact O-CB 3.37Å; G334-S338 PolarHBondContact O-N 2.98Å; G334-S338 PolarHBondContact O-OG 3.42Å; S335-S338 WeakPolarHBondContact CA-OG 3.24Å; S335-S338 PolarHBondContact O-OG 3.41Å; S338-I342 VanDerWaalsContact O-CD1 3.29Å; S338-I342 WeakPolarHBondContact O-CD1 3.41Å; S338-I342 VanDerWaalsContact O-CG1 3.26Å; S338-I342 WeakPolarHBondContact O-CG1 3.47Å; S338-I342 PolarHBondContact O-N 3.24Å
339L53.9Low52.9Low138 Ų138108.8 Ų108.872%0.72363%0.633SS**Hα-helixtrans-69.4-36.5173.3-97.3152.1000113S335 A336 L337 L341S335-L339 PolarHBondContact O-N 2.79Å; A336-L339 PolarHBondContact O-N 3.18Å; L337-L339 VanDerWaalsContact C-N 3.3Å; L337-L339 PolarHBondContact O-N 3.49Å; L339-L341 VanDerWaalsContact C-N 3.34Å
340S53.9Low51.2Low77 Ų77112 Ų11254%0.53865%0.653SS.*Hα-helixtrans-71.4-28.4176.972.10000113.5A336 L337A336-S340 PolarHBondContact O-N 3.22Å; L337-S340 PolarHBondContact O-N 3.26Å; L337-S340 VanDerWaalsContact O-N 3.16Å; L337-S340 PolarHBondContact O-OG 3.2Å
341L53Low49.7Very low139 Ų139111.8 Ų111.873%0.72866%0.659SS**Hα-helixtrans-83.5-15.1-178.2-76.8158.1000113.6L337 L339L337-L341 WeakPolarHBondContact O-CB 3.41Å; L337-L341 WeakPolarHBondContact O-CD1 3.37Å; L337-L341 WeakPolarHBondContact O-CG 3.41Å; L337-L341 PolarHBondContact O-N 2.89Å; L339-L341 VanDerWaalsContact C-N 3.34Å
342I51.4Low48.2Very low148 Ų148117.1 Ų117.176%0.75967%0.67SS**THydrogen-bonded Turntrans-87.9-7.9178.3-67.4166.3000111.8S338S338-I342 VanDerWaalsContact O-CD1 3.29Å; S338-I342 WeakPolarHBondContact O-CD1 3.41Å; S338-I342 VanDerWaalsContact O-CG1 3.26Å; S338-I342 WeakPolarHBondContact O-CG1 3.47Å; S338-I342 PolarHBondContact O-N 3.24Å
343G46.5Very low47Very low53 Ų53120.5 Ų120.555%0.54668%0.684SS.*SBendtrans-98.6-16.6-168.900000118.2
344H40.7Very low45.7Very low179 Ų179125.2 Ų125.283%0.82971%0.709SS**  trans-147.686.6-173.9-102.240000111.6
345S37.3Very low44.5Very low117 Ų117130 Ų13082%0.81873%0.73SS**  trans-116.154.416567.20000110.4
346Q38Very low43.1Very low169 Ų169137.7 Ų137.779%0.7975%0.748SS**SBendtrans-144.8120.3160.4-69.8-167.7-26.800108.2
347D32.6Very low41.6Very low147 Ų147142 Ų14279%0.78676%0.762SS**  trans66.288.9159.9-53-25.7000119.6
348L34.5Very low40.3Very low166 Ų166143 Ų14387%0.86978%0.777SS**  trans-140.174.3154.7-144.285.1000111.6
349T35.5Very low39Very low134 Ų134146.7 Ų146.782%0.82280%0.797SS**  trans-110.751.1167.948.70000111.4
350T36.8Very low38.1Very low138 Ų138147.1 Ų147.185%0.84780%0.799SS**  trans-165.372.4165.4-12.60000112.8
351A37Very low36.9Very low96 Ų96150.9 Ų150.979%0.79381%0.813SS**  trans-165.455.3160.900000111.7
352R34.6Very low36Very low239 Ų239151.4 Ų151.490%0.90282%0.815SS**  trans-94.1121.7154.6-88.7-178.3173.7159-1.1106.3
353H38.4Very low35.1Very low181 Ų181149.9 Ų149.984%0.83882%0.815SS**  trans12694.9170.6-76.4-72.6000109.9
354L35.4Very low34.3Very low179 Ų179153.7 Ų153.794%0.93783%0.828SS**  trans176.369.3140.4-89.8163.7000108
355T34.7Very low34Very low144 Ų144156.3 Ų156.388%0.88383%0.83SS**  trans-103.2103.715836.40000107.5
356R32.3Very low33.7Very low231 Ų231158.2 Ų158.287%0.87283%0.83SS**  trans-158.399.6159.8-160166.7162159.1-5.7112.1
357N29.7Very low33.5Very low155 Ų155157.3 Ų157.383%0.82983%0.829SS**  trans34.1109.9142.9-60.4-6.6000119.4
358S32.8Very low33.4Very low115 Ų115155 Ų15580%0.80482%0.822SS**  trans-147.5116.8130.553.90000110
359T30.5Very low33.2Very low135 Ų135152.8 Ų152.883%0.82882%0.816SS**  trans-77.9124.3173.514.30000109.1
360I33.6Very low32.9Very low148 Ų148154.7 Ų154.776%0.75982%0.815SS**  trans-116.6103.4163-63.2178000107.6I362I360-I362 HydrophobicContact CG2-CG1 4.37Å
361N29.8Very low32.5Very low155 Ų155153.3 Ų153.383%0.82981%0.811SS**  trans-90.1121.9162.7-86.5-19.9000107.8
362I34.1Very low32.3Very low150 Ų150154.4 Ų154.477%0.76981%0.808SS**  trans-134.5131.8152.9-60-178.4000107.9I360I360-I362 HydrophobicContact CG2-CG1 4.37Å
363P32.3Very low31.9Very low117 Ų117149.3 Ų149.376%0.7680%0.803SS**  trans-91.8145.5-159.921.1-5.5000113.7R365P363-R365 PolarHBondContact O-N 3.42Å
364T30.3Very low31.6Very low133 Ų133146.3 Ų146.382%0.81680%0.8SS**  trans-60.8122.4164.6-33.80000110.6
365R33Very low31.2Very low234 Ų234142.5 Ų142.588%0.88379%0.788SS**  trans-123.9105.2161-119.6-174.5-174.3-177.12.2109.5P363P363-R365 PolarHBondContact O-N 3.42Å
366L32.2Very low31.1Very low156 Ų156144.4 Ų144.482%0.81779%0.787SS**  trans-65.6131.4159.7-78.5130.3000109.1
367I33.8Very low30.9Very low151 Ų151139.2 Ų139.277%0.77478%0.781SS**  trans-131.5124.3151.4-60.4-179.2000107
368P30Very low30.9Very low97 Ų97138.6 Ų138.663%0.6378%0.778SS**  trans-93.8158.3-171.637.8-35.5000113.7
369T29.8Very low30.8Very low121 Ų121139.3 Ų139.374%0.74277%0.773SS**  trans46.7125.1140.659.70000120.5
370E30.3Very low30.7Very low173 Ų173138.7 Ų138.781%0.80877%0.769SS**  164.3133.5103.5-92.8-173.1154.100112.6
371S28.6Very low30.5Very low109 Ų109136.8 Ų136.876%0.76277%0.769SS**  trans69.3143.7140.481.70000117.1
372V31.8Very low30.5Very low120 Ų120140.8 Ų140.873%0.72777%0.772SS**  cis-156.8137.726.4170.30000107
373V26.9Very low30.2Very low132 Ų132142 Ų14280%0.878%0.777SS**  trans-90140.2160.4172.80000108
374P30.8Very low30.1Very low117 Ų117144.1 Ų144.176%0.7678%0.782SS**  trans-113.8127.2147.513.85.2000110.8
375S27.6Very low30.1Very low100 Ų100144.1 Ų144.170%0.69978%0.781SS**  trans-80.3127.6164.149.50000110.7
376E32.9Very low30Very low183 Ų183138.2 Ų138.286%0.85578%0.776SS**  trans-146.697.4151.6-72.1-172156.300105.1
377T28.9Very low29.9Very low123 Ų123137.4 Ų137.476%0.75577%0.772SS**  34.3121.58754.30000116.4
378D28.5Very low29.7Very low142 Ų142137.2 Ų137.276%0.75977%0.773SS**  trans109.5127.8144.4-81.3-9.1000120.9
379N31.5Very low29.7Very low130 Ų130141.8 Ų141.870%0.69579%0.785SS**  trans89.889155.5-54.9-33.2000116.9
380T28.5Very low29.8Very low121 Ų121141.5 Ų141.574%0.74278%0.784SS**  62.8130.383.562.90000115.5
381S29Very low29.7Very low109 Ų109137.5 Ų137.576%0.76278%0.78SS**  trans80.4104.9156.179.20000117.6
382R29.2Very low29.8Very low239 Ų239141.9 Ų141.990%0.90279%0.791SS**  170.3127.686.8-107.9174164.8159.4-5.1110.4
383M27.8Very low29.8Very low175 Ų175142.9 Ų142.986%0.86279%0.792SS**  trans-55.3141.4154.3-75.1157.1113.900109.8
384N30.7Very low29.8Very low161 Ų161143.4 Ų143.486%0.86180%0.796SS**  trans-158108.1130.3-97.5-5.5000108.4
385V29.7Very low29.8Very low133 Ų133140.9 Ų140.981%0.80679%0.791SS**  trans-77129.2156.2172.70000105.8
386S32.3Very low29.7Very low111 Ų111143.8 Ų143.878%0.77680%0.798SS**  trans-136.511816154.40000107.5
387D29.6Very low29.5Very low138 Ų138142.7 Ų142.774%0.73880%0.797SS**  trans-52.7142.6173.5-57.7-58.4000111.9
388D29.2Very low29.5Very low147 Ų147142.4 Ų142.479%0.78680%0.796SS**  trans-153.896.4146.9-117.3-18.1000108.5
389H31.1Very low29.5Very low193 Ų193141.9 Ų141.989%0.89480%0.797SS**  trans-102.597.4161.5-80-64.6000107.2
390T30.8Very low29.4Very low116 Ų116141 Ų14171%0.71280%0.797SS**  trans-137.8125167.315.60000109.5
391A28.4Very low29.5Very low89 Ų89140.4 Ų140.474%0.73680%0.795SS**  trans41.3100.8153.100000118.4D393A391-D393 VanDerWaalsContact C-N 3.29Å; A391-D393 PolarHBondContact O-N 3.28Å; A391-D393 VanDerWaalsContact O-N 3.15Å
392M30.9Very low29.6Very low201 Ų201142.6 Ų142.699%0.9980%0.798SS**  trans-80.586.6153.1-89-85.9-166.400108.2
393D31Very low29.6Very low140 Ų140136.9 Ų136.975%0.74979%0.79SS**  trans-68.9146.9163.6-128.2-14.3000109.7A391 G395A391-D393 VanDerWaalsContact C-N 3.29Å; A391-D393 PolarHBondContact O-N 3.28Å; A391-D393 VanDerWaalsContact O-N 3.15Å; D393-G395 PolarHBondContact O-N 3.11Å
394T27.7Very low29.7Very low143 Ų143133.5 Ų133.588%0.87778%0.781SS**  trans-51.3119.1177.147.80000112.5
395G29.7Very low29.6Very low64 Ų64130.8 Ų130.866%0.6678%0.781SS**  trans-147.78817900000111.8D393 L397D393-G395 PolarHBondContact O-N 3.11Å; G395-L397 PolarHBondContact O-N 3.47Å
396L27.2Very low29.8Very low162 Ų162130.7 Ų130.785%0.84878%0.78SS**  trans-5397.9167.8-172.880.6000110.2T398L396-T398 PolarHBondContact O-N 3.25Å
397L28.8Very low29.7Very low160 Ų160132.4 Ų132.484%0.83878%0.781SS**  trans-92.194.3167.1-76.2174.4000109.5G395 V399G395-L397 PolarHBondContact O-N 3.47Å; L397-V399 PolarHBondContact O-N 3.3Å
398T27.7Very low29.7Very low117 Ų117137.5 Ų137.572%0.71879%0.79SS**  trans-64.793.2159.932.70000109.4L396 T400L396-T398 PolarHBondContact O-N 3.25Å; T398-T400 PolarHBondContact O-N 2.86Å
399V29.9Very low29.9Very low130 Ų130137.4 Ų137.479%0.78879%0.789SS**  trans-75.8102.7166.6179.80000108L397L397-V399 PolarHBondContact O-N 3.3Å
400T27.6Very low30Very low113 Ų113136.5 Ų136.569%0.69379%0.789SS**  trans-76.1125.8164.1370000108.6T398 N402T398-T400 PolarHBondContact O-N 2.86Å; T400-N402 PolarHBondContact O-N 3.1Å; T400-N402 VanDerWaalsContact O-N 3.12Å
401P31Very low30.7Very low107 Ų107137.5 Ų137.570%0.69579%0.786SS**  trans-79.799.2174.829.3-28.4000109T403P401-T403 PolarHBondContact O-N 3.12Å; P401-T403 PolarHBondContact O-OG1 2.9Å
402N31.8Very low31.3Very low155 Ų155141.9 Ų141.983%0.82979%0.791SS**  trans-60.9103.7157.5-86.7-19.4000107.5T400 P404T400-N402 PolarHBondContact O-N 3.1Å; T400-N402 VanDerWaalsContact O-N 3.12Å; N402-P404 WeakPolarHBondContact O-CD 3.45Å
403T28.5Very low31.9Very low120 Ų120136.2 Ų136.274%0.73677%0.769SS**  trans-80.6115.9178.5-45.30000107.9P401P401-T403 PolarHBondContact O-N 3.12Å; P401-T403 PolarHBondContact O-OG1 2.9Å
404P31.3Very low32.7Very low103 Ų103134.8 Ų134.867%0.66976%0.76SS**  trans-73.8129.816315.7-2.3000107.5N402 V406N402-P404 WeakPolarHBondContact O-CD 3.45Å; P404-V406 PolarHBondContact O-N 2.84Å
405A27.7Very low33.4Very low105 Ų105137 Ų13787%0.86876%0.758SS**  trans-57.398.9176.500000110.5
406V32.9Very low34Very low130 Ų130142 Ų14279%0.78876%0.764SS**  trans-98.6122.2166.3178.50000107.1P404 R408P404-V406 PolarHBondContact O-N 2.84Å; V406-R408 PolarHBondContact O-N 3.14Å
407N31.2Very low34.5Very low148 Ų148143.4 Ų143.479%0.79177%0.766SS**  trans-34.2116.2-177.4-71.3-36.2000113.5L409N407-L409 VanDerWaalsContact C-N 3.28Å; N407-L409 PolarHBondContact O-N 2.85Å
408R28.6Very low34.8Very low245 Ų245142.5 Ų142.593%0.92576%0.762SS**  trans-64.590.6159.8-76.8-179.2-178.1174.40.4108.2V406V406-R408 PolarHBondContact O-N 3.14Å
409L35.3Very low35.2Very low145 Ų145145.9 Ų145.976%0.75977%0.77SS**  trans-79.7114.8153.3-74.8168.5000106.3N407 H411N407-L409 VanDerWaalsContact C-N 3.28Å; N407-L409 PolarHBondContact O-N 2.85Å; L409-H411 PolarHBondContact O-N 3.11Å
410L32.7Very low35.5Very low173 Ų173148.2 Ų148.291%0.90677%0.772SS**  trans-51.9109.4174.9-74.4150.9000109
411H44.6Very low35.8Very low137 Ų137153.3 Ų153.363%0.63478%0.779SS**  trans-98.7110.4164.8-81.3-23.3000108.1L409L409-H411 PolarHBondContact O-N 3.11Å
412E41.5Very low36Very low181 Ų181156.9 Ų156.985%0.84679%0.786SS**PPolyproline II helixtrans-69.5129.5175.2-146.7171.2-171.900108.8
413P43.2Very low36.3Very low82 Ų82156.5 Ų156.553%0.53278%0.784SS.*PPolyproline II helixtrans-67136.6174.727.2-31.3000109.7K415P413-K415 PolarHBondContact O-N 3.41Å
414I47.1Very low36.8Very low111 Ų111158.5 Ų158.557%0.56979%0.79SS**PPolyproline II helixtrans-70.1125.6173.5-61.5169.7000107.5
415K43.3Very low36.9Very low190 Ų190161.5 Ų161.583%0.82680%0.801SS**PPolyproline II helixtrans-76.3124.3162.2-71.2-178.8176.9-179.20107.1P413 E417P413-K415 PolarHBondContact O-N 3.41Å; K415-E417 PolarHBondContact O-N 2.87Å
416E42.6Very low37.3Very low169 Ų169165.4 Ų165.479%0.7980%0.801SS**PPolyproline II helixtrans-58.9121.1164.8-74176.8157.900107.4D418E416-D418 PolarHBondContact O-N 3.2Å
417E36.3Very low37.3Very low190 Ų190164.3 Ų164.389%0.88880%0.799SS**  trans-77.5111.2166.4-73.4179164.100106.3K415 E419K415-E417 PolarHBondContact O-N 2.87Å; E417-E419 PolarHBondContact O-N 2.67Å
418D36Very low37.4Very low141 Ų141167.5 Ų167.575%0.75480%0.802SS**  trans-61.5114.9169.9-72.1-46.6000108.6E416 E420E416-D418 PolarHBondContact O-N 3.2Å; D418-E420 VanDerWaalsContact C-N 3.28Å; D418-E420 PolarHBondContact O-N 3.39Å
419E36Very low37.5Very low188 Ų188161.2 Ų161.288%0.87980%0.795SS**  trans-68.887.5164.3-74.9-174.2168.500108.6E417 R421E417-E419 PolarHBondContact O-N 2.67Å; E419-R421 PolarHBondContact O-N 3.41Å
420E35.7Very low37.5Very low180 Ų180164.8 Ų164.884%0.84180%0.798SS**  trans-68.2108.2162.7-76-176.3162.600108.9D418 E422D418-E420 VanDerWaalsContact C-N 3.28Å; D418-E420 PolarHBondContact O-N 3.39Å; E420-E422 PolarHBondContact O-N 3.28Å
421R34.5Very low37.6Very low220 Ų220162 Ų16283%0.8379%0.793SS**  trans-77.3109158.1-89.1-174.4-166.9162.37.4108.7E419 D423E419-R421 PolarHBondContact O-N 3.41Å; R421-D423 PolarHBondContact O-N 3.49Å
422E34.5Very low37.1Very low182 Ų182164.7 Ų164.785%0.8580%0.803SS**  trans-65.4116.4155.7-68.1178.1153.100108.5E420E420-E422 PolarHBondContact O-N 3.28Å
423D39.8Very low36.9Very low146 Ų146162 Ų16278%0.78180%0.799SS**  trans-122.5123.9158.3-85.4-37.1000107.7R421R421-D423 PolarHBondContact O-N 3.49Å
424D38.2Very low36.5Very low162 Ų162163.5 Ų163.587%0.86681%0.807SS**  trans-58.1130-166.5-71.5-52.7000115.7Q426D424-Q426 PolarHBondContact O-N 3.43Å
425D33.5Very low36Very low167 Ų167166.3 Ų166.389%0.89382%0.82SS**  trans-76.4109.4163-107-24.6000110.5
426Q36.2Very low36.1Very low187 Ų187164.1 Ų164.187%0.87482%0.816SS**  trans-123.191.5154.5-88.1-174.67.500110.8D424D424-Q426 PolarHBondContact O-N 3.43Å
427S33Very low36.2Very low107 Ų107167.5 Ų167.575%0.74884%0.838SS**  trans33.3102.5130.8163.50000117.2
428Y32.6Very low36.2Very low215 Ų215166.4 Ų166.484%0.84384%0.835SS**  trans-15797130.6-138.6-101.9000112.5
429S31.5Very low36.2Very low112 Ų112167.7 Ų167.778%0.78384%0.84SS**  trans-83.1116.6159.11710000108.5
430R34.9Very low36.3Very low221 Ų221166.6 Ų166.683%0.83484%0.837SS**  trans-172.9123.8136.9-109.3171.6-179.4-173.71113.9
431S35.4Very low36.3Very low114 Ų114165.8 Ų165.880%0.79784%0.837SS**  trans83.5106139.2-110.20000120
432K33.1Very low36.4Very low194 Ų194162.4 Ų162.484%0.84384%0.838SS**  trans-13.1141.6141.5-64.4174.1172.1178.70115.1
433T36.9Very low36.5Very low123 Ų123161.1 Ų161.176%0.75584%0.837SS**  152.1122.8114.7-66.30000112
434T36.5Very low36.3Very low115 Ų115162.1 Ų162.171%0.70684%0.841SS**  trans81.3102.3148.8-58.40000120.9
435M36.3Very low36.1Very low169 Ų169162.2 Ų162.283%0.83384%0.839SS**  53.4137.3109.8-138.3-172.4-169.400121.1
436I43.8Very low36.4Very low144 Ų144161.8 Ų161.874%0.73883%0.834SS**  trans97.192153.9-46173.8000116.5
437L46.2Very low36.4Very low240 Ų240159.5 Ų159.5100%1.25783%0.831SS**  -159.80103.7-114159.9000110.1

Retrieved 437 of 437 residues in 209.8 ms (Link to these results)

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