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NADH-ubiquinone oxidoreductase chain 4

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A075X8B5, Species HUMAN (Homo sapiens, Human), Gene ND4, Length 303 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
1L90.8Very high95Very high45 Ų4558 Ų5824%0.23629%0.294CS..  0-51.10-67.4174.2000112.2M3 L4 T5 F46 K173 Y177L1-M3 PolarHBondContact O-N 3.22Å; L1-L4 HydrophobicContact CD2-CD2 4.49Å; L1-L4 WeakPolarHBondContact O-CA 3.34Å; L1-L4 WeakPolarHBondContact O-CB 3.39Å; L1-L4 PolarHBondContact O-N 3.07Å; L1-T5 VanDerWaalsContact O-CG2 3.29Å; L1-T5 WeakPolarHBondContact O-CG2 3.41Å; L1-T5 PolarHBondContact O-N 3.19Å; L1-F46 HydrophobicContact CB-CD1 3.97Å; L1-F46 HydrophobicContact CB-CD2 4.35Å; L1-F46 HydrophobicContact CB-CE1 3.78Å; L1-F46 HydrophobicContact CB-CE2 4.18Å; L1-F46 HydrophobicContact CB-CG 4.26Å; L1-F46 HydrophobicContact CB-CZ 3.89Å; L1-F46 HydrophobicContact CD1-CD1 4.11Å; L1-F46 HydrophobicContact CD1-CE1 3.47Å; L1-F46 VanDerWaalsContact CD1-CE1 3.47Å; L1-F46 HydrophobicContact CD1-CZ 4.03Å; L1-F46 HydrophobicContact CG-CE1 4.2Å; L1-F46 HydrophobicContact CG-CZ 4.43Å; L1-K173 HydrophobicContact CD1-CB 4.26Å; L1-K173 HydrophobicContact CD2-CB 3.8Å; L1-K173 HydrophobicContact CD2-CG 3.97Å; L1-Y177 HydrophobicContact CD1-CD2 4.36Å; L1-Y177 HydrophobicContact CD1-CG 4.45Å
2L94.1Very high95Very high67 Ų6753.3 Ų53.335%0.35127%0.27SS..Hα-helixtrans-53.7-50.2177.3-164.3153.9000113.2L4 T5 T6 I43 T47L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.5Å; L2-T5 PolarHBondContact O-N 3.46Å; L2-T5 PolarHBondContact O-OG1 3.18Å; L2-T6 HydrophobicContact CD2-CG2 4.22Å; L2-T6 PolarHBondContact O-N 3.33Å; L2-T6 PolarHBondContact O-OG1 3.34Å; L2-I43 HydrophobicContact CD1-CG2 4.29Å; L2-T47 HydrophobicContact CD1-CG2 3.44Å; L2-T47 VanDerWaalsContact CD1-CG2 3.44Å
3M96.6Very high95Very high158 Ų15852.1 Ų52.178%0.77826%0.264SS*.Hα-helixtrans-59.6-36.3175.2-66.4-159.2-72.800113.4L1 T5 T6 W7L1-M3 PolarHBondContact O-N 3.22Å; M3-T5 VanDerWaalsContact C-N 3.35Å; M3-T6 PolarHBondContact O-OG1 3Å; M3-W7 VanDerWaalsContact O-CB 3.25Å; M3-W7 WeakPolarHBondContact O-CB 3.39Å; M3-W7 PolarHBondContact O-N 3.34Å
4L95Very high95.1Very high13 Ų1358 Ų587%0.06829%0.292CS..Hα-helixtrans-65-41.3175.2-177.170.8000110.6L1 L2 W7 L8 L257L1-L4 HydrophobicContact CD2-CD2 4.49Å; L1-L4 WeakPolarHBondContact O-CA 3.34Å; L1-L4 WeakPolarHBondContact O-CB 3.39Å; L1-L4 PolarHBondContact O-N 3.07Å; L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.5Å; L4-W7 HydrophobicContact CD1-CE3 4.29Å; L4-W7 PolarHBondContact O-N 2.97Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 PolarHBondContact O-N 3.22Å; L4-L257 HydrophobicContact CD1-CD2 3.41Å; L4-L257 VanDerWaalsContact CD1-CD2 3.41Å; L4-L257 HydrophobicContact CD1-CG 3.91Å
5T95.3Very high95Very high6 Ų655.2 Ų55.24%0.03728%0.282CS..Hα-helixtrans-64.1-41.617967.70000112.8L1 L2 M3 L8 L42 F46 V170L1-T5 VanDerWaalsContact O-CG2 3.29Å; L1-T5 WeakPolarHBondContact O-CG2 3.41Å; L1-T5 PolarHBondContact O-N 3.19Å; L2-T5 PolarHBondContact O-N 3.46Å; L2-T5 PolarHBondContact O-OG1 3.18Å; M3-T5 VanDerWaalsContact C-N 3.35Å; T5-L8 PolarHBondContact O-N 3.31Å; T5-L42 HydrophobicContact CG2-CB 4.4Å; T5-F46 HydrophobicContact CG2-CD2 3.9Å; T5-F46 HydrophobicContact CG2-CE2 3.52Å; T5-V170 HydrophobicContact CG2-CB 4.34Å; T5-V170 HydrophobicContact CG2-CG1 3.48Å; T5-V170 VanDerWaalsContact CG2-CG1 3.48Å; T5-V170 HydrophobicContact CG2-CG2 3.86Å
6T94.9Very high95Very high58 Ų5852.1 Ų52.136%0.35627%0.266SS..Hα-helixtrans-70.9-36.7179.253.60000111.6L2 M3 P10 I43L2-T6 HydrophobicContact CD2-CG2 4.22Å; L2-T6 PolarHBondContact O-N 3.33Å; L2-T6 PolarHBondContact O-OG1 3.34Å; M3-T6 PolarHBondContact O-OG1 3Å; T6-P10 WeakPolarHBondContact O-CD 3.48Å; T6-I43 HydrophobicContact CG2-CD1 4Å; T6-I43 HydrophobicContact CG2-CG1 4.41Å
7W96.4Very high94.8Very high137 Ų13756.1 Ų56.152%0.51928%0.284SS..Hα-helixtrans-69-32.5175.7-174.774.7000113.2M3 L4 P10 L11 L257M3-W7 VanDerWaalsContact O-CB 3.25Å; M3-W7 WeakPolarHBondContact O-CB 3.39Å; M3-W7 PolarHBondContact O-N 3.34Å; L4-W7 HydrophobicContact CD1-CE3 4.29Å; L4-W7 PolarHBondContact O-N 2.97Å; W7-P10 WeakPolarHBondContact O-CD 3.4Å; W7-P10 VanDerWaalsContact O-CG 3.31Å; W7-P10 WeakPolarHBondContact O-CG 3.32Å; W7-L11 HydrophobicContact CD2-CD1 3.69Å; W7-L11 HydrophobicContact CE3-CD1 3.45Å; W7-L11 VanDerWaalsContact CE3-CD1 3.45Å; W7-L11 HydrophobicContact CH2-CD1 3.36Å; W7-L11 HydrophobicContact CZ2-CD1 3.6Å; W7-L11 HydrophobicContact CZ3-CD1 3.25Å; W7-L257 HydrophobicContact CE3-CD2 3.74Å; W7-L257 HydrophobicContact CH2-CD2 3.74Å; W7-L257 HydrophobicContact CZ3-CD2 3.13Å
8L95.1Very high94.6Very high4 Ų461.1 Ų61.12%0.02130%0.299CS..Hα-helixtrans-70.7-34.1-175.7-159.492.2000113.5L4 T5 L11 T12 V166 A169 V170L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 PolarHBondContact O-N 3.22Å; T5-L8 PolarHBondContact O-N 3.31Å; L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 2.89Å; L8-T12 HydrophobicContact CD2-CG2 3.89Å; L8-T12 HydrophobicContact CG-CG2 3.92Å; L8-T12 VanDerWaalsContact O-CG2 3.31Å; L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 3.22Å; L8-T12 PolarHBondContact O-OG1 3.3Å; L8-V166 HydrophobicContact CD2-CB 4.12Å; L8-V166 HydrophobicContact CD2-CG1 4.48Å; L8-V166 HydrophobicContact CD2-CG2 3.67Å; L8-A169 HydrophobicContact CD1-CB 3.52Å; L8-A169 HydrophobicContact CD2-CB 3.97Å; L8-A169 HydrophobicContact CG-CB 4.4Å; L8-V170 HydrophobicContact CD2-CG2 4.32Å
9L94.8Very high94.3Very high31 Ų3161.5 Ų61.516%0.16230%0.3CS..Hα-helixtrans-55.4-55.2-176.2-176.3114.2000113.2L11 T12 I13 L35 I36 Q39L9-L11 PolarHBondContact O-N 2.85Å; L9-T12 PolarHBondContact O-N 3.27Å; L9-T12 VanDerWaalsContact O-N 3.1Å; L9-T12 PolarHBondContact O-OG1 3.29Å; L9-I13 HydrophobicContact CD2-CD1 3.6Å; L9-I13 HydrophobicContact CG-CD1 3.95Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 2.93Å; L9-L35 HydrophobicContact CD1-CB 4.24Å; L9-I36 HydrophobicContact CD1-CG1 4.19Å; L9-Q39 HydrophobicContact CD1-CB 3.96Å; L9-Q39 HydrophobicContact CD1-CG 4.48Å
10P96.5Very high94.2Very high62 Ų6259 Ų5940%0.40329%0.288SS..Hα-helixtrans-58.3-37.1179.621.8-33.3000112.6T6 W7 I13 M14T6-P10 WeakPolarHBondContact O-CD 3.48Å; W7-P10 WeakPolarHBondContact O-CD 3.4Å; W7-P10 VanDerWaalsContact O-CG 3.31Å; W7-P10 WeakPolarHBondContact O-CG 3.32Å; P10-I13 PolarHBondContact O-N 3.35Å; P10-M14 WeakPolarHBondContact O-CG 3.45Å; P10-M14 PolarHBondContact O-N 3.11Å
11L95.8Very high94.1Very high57 Ų5759.9 Ų59.930%0.29830%0.3SS..Hα-helixtrans-64.9-42.2176.5-66.1166.1000112.2W7 L8 L9 I13 M14 A15 M165W7-L11 HydrophobicContact CD2-CD1 3.69Å; W7-L11 HydrophobicContact CE3-CD1 3.45Å; W7-L11 VanDerWaalsContact CE3-CD1 3.45Å; W7-L11 HydrophobicContact CH2-CD1 3.36Å; W7-L11 HydrophobicContact CZ2-CD1 3.6Å; W7-L11 HydrophobicContact CZ3-CD1 3.25Å; L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 2.89Å; L9-L11 PolarHBondContact O-N 2.85Å; L11-I13 VanDerWaalsContact C-N 3.3Å; L11-I13 PolarHBondContact O-N 3.48Å; L11-M14 PolarHBondContact O-N 2.86Å; L11-A15 WeakPolarHBondContact O-CB 3.43Å; L11-A15 PolarHBondContact O-N 2.89Å; L11-M165 HydrophobicContact CB-CE 4.06Å
12T95Very high94.1Very high1 Ų162.8 Ų62.81%0.00632%0.324CS..Hα-helixtrans-66.9-33.2177.561.70000112.4L8 L9 S16 A162 M165 V166L8-T12 HydrophobicContact CD2-CG2 3.89Å; L8-T12 HydrophobicContact CG-CG2 3.92Å; L8-T12 VanDerWaalsContact O-CG2 3.31Å; L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 3.22Å; L8-T12 PolarHBondContact O-OG1 3.3Å; L9-T12 PolarHBondContact O-N 3.27Å; L9-T12 VanDerWaalsContact O-N 3.1Å; L9-T12 PolarHBondContact O-OG1 3.29Å; T12-S16 WeakPolarHBondContact O-CB 3.34Å; T12-S16 PolarHBondContact O-N 2.98Å; T12-S16 VanDerWaalsContact O-N 3.14Å; T12-S16 PolarHBondContact O-OG 3.49Å; T12-A162 HydrophobicContact CG2-CB 4.4Å; T12-M165 HydrophobicContact CG2-CB 3.96Å; T12-M165 HydrophobicContact CG2-CE 4.09Å; T12-M165 HydrophobicContact CG2-SD 4.18Å; T12-V166 HydrophobicContact CG2-CG2 3.89Å
13I94.9Very high94.1Very high38 Ų3862.1 Ų62.120%0.19532%0.319CS..Hα-helixtrans-65.8-49.8173.2-67.2168.6000109.4L9 P10 L11 A15 S16 Q17 L32L9-I13 HydrophobicContact CD2-CD1 3.6Å; L9-I13 HydrophobicContact CG-CD1 3.95Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 2.93Å; P10-I13 PolarHBondContact O-N 3.35Å; L11-I13 VanDerWaalsContact C-N 3.3Å; L11-I13 PolarHBondContact O-N 3.48Å; I13-A15 VanDerWaalsContact C-N 3.31Å; I13-A15 PolarHBondContact O-N 3.11Å; I13-S16 PolarHBondContact O-N 2.69Å; I13-S16 PolarHBondContact O-OG 2.97Å; I13-Q17 VanDerWaalsContact O-CG 3.31Å; I13-Q17 WeakPolarHBondContact O-CG 3.36Å; I13-Q17 PolarHBondContact O-N 3.21Å; I13-L32 HydrophobicContact CD1-CD1 4.2Å; I13-L32 HydrophobicContact CG1-CD1 4.4Å
14M95.9Very high94.1Very high135 Ų13557.6 Ų57.667%0.66530%0.301SS*.Hα-helixtrans-56.5-45176.7-70.3177.918000112P10 L11 S16P10-M14 WeakPolarHBondContact O-CG 3.45Å; P10-M14 PolarHBondContact O-N 3.11Å; L11-M14 PolarHBondContact O-N 2.86Å; M14-S16 VanDerWaalsContact C-N 3.33Å; M14-S16 PolarHBondContact O-N 3.28Å
15A94.1Very high94.1Very high16 Ų1662.7 Ų62.713%0.13233%0.328CS..Hα-helixtrans-66.6-30.3-178.100000113.7L11 I13 I161 M165L11-A15 WeakPolarHBondContact O-CB 3.43Å; L11-A15 PolarHBondContact O-N 2.89Å; I13-A15 VanDerWaalsContact C-N 3.31Å; I13-A15 PolarHBondContact O-N 3.11Å; A15-I161 HydrophobicContact CB-CG1 3.9Å; A15-I161 HydrophobicContact CB-CG2 4.11Å; A15-I161 WeakPolarHBondContact O-CG2 3.32Å; A15-M165 HydrophobicContact CB-SD 3.73Å
16S94.3Very high94.2Very high5 Ų566.1 Ų66.14%0.03535%0.352CS..Hα-helixtrans-92.7-16.5-172.755.60000114.8T12 I13 M14 R18 H19 L20T12-S16 WeakPolarHBondContact O-CB 3.34Å; T12-S16 PolarHBondContact O-N 2.98Å; T12-S16 VanDerWaalsContact O-N 3.14Å; T12-S16 PolarHBondContact O-OG 3.49Å; I13-S16 PolarHBondContact O-N 2.69Å; I13-S16 PolarHBondContact O-OG 2.97Å; M14-S16 VanDerWaalsContact C-N 3.33Å; M14-S16 PolarHBondContact O-N 3.28Å; S16-R18 VanDerWaalsContact C-N 3.34Å; S16-R18 PolarHBondContact O-N 3.29Å; S16-H19 PolarHBondContact O-N 3.13Å; S16-L20 WeakPolarHBondContact O-CB 3.43Å; S16-L20 WeakPolarHBondContact O-CG 3.42Å; S16-L20 PolarHBondContact O-N 3.28Å; S16-L20 VanDerWaalsContact O-N 3.15Å
17Q92.5Very high94.2Very high121 Ų12168 Ų6857%0.56535%0.353SS*.THydrogen-bonded Turntrans-56.8-42.1-174.3-82.2168.313.200113.8I13 L20 S21I13-Q17 VanDerWaalsContact O-CG 3.31Å; I13-Q17 WeakPolarHBondContact O-CG 3.36Å; I13-Q17 PolarHBondContact O-N 3.21Å; Q17-L20 PolarHBondContact O-N 2.99Å; Q17-S21 PolarHBondContact O-N 3.4Å; Q17-S21 VanDerWaalsContact O-N 3.14Å
18R91.1Very high94.2Very high145 Ų14565.1 Ų65.155%0.54734%0.344SS..THydrogen-bonded Turntrans-68.2-48.7-175.5-177.9158175.1-144.39.5112.1S16 L20 S21 E271S16-R18 VanDerWaalsContact C-N 3.34Å; S16-R18 PolarHBondContact O-N 3.29Å; R18-L20 VanDerWaalsContact C-N 3.26Å; R18-L20 PolarHBondContact O-N 3.24Å; R18-S21 VanDerWaalsContact O-CB 3.26Å; R18-S21 WeakPolarHBondContact O-CB 2.89Å; R18-S21 PolarHBondContact O-N 3.39Å; R18-S21 VanDerWaalsContact O-N 3.15Å; R18-S21 PolarHBondContact O-OG 3.49Å; R18-E271 VanDerWaalsContact CD-OE2 3.23Å; R18-E271 WeakPolarHBondContact CD-OE2 3.45Å; R18-E271 IonicContact CZ-OE2 3.55Å; R18-E271 IonicContact NE-OE2 3Å; R18-E271 IonicContact NH1-OE2 2.87Å; R18-E271 PolarHBondContact NH1-OE2 3.4Å
19H88.6Confident94.2Very high69 Ų6971.6 Ų71.632%0.31937%0.372SS..THydrogen-bonded Turntrans-62-35.3177.4176.859.1000112.3S16 S21 N74S16-H19 PolarHBondContact O-N 3.13Å; H19-S21 VanDerWaalsContact C-N 3.3Å; H19-S21 PolarHBondContact O-N 3.17Å; H19-N74 PolarHBondContact CE1-OD1 2.87Å; H19-N74 PolarHBondContact NE2-OD1 2.97Å
20L92.3Very high94.3Very high11 Ų1174.8 Ų74.86%0.05839%0.389CS..THydrogen-bonded Turntrans-82.2-3.3178.9-68.5168.5000113.9S16 Q17 R18 S22 E23 K28 Y31 W72S16-L20 WeakPolarHBondContact O-CB 3.43Å; S16-L20 WeakPolarHBondContact O-CG 3.42Å; S16-L20 PolarHBondContact O-N 3.28Å; S16-L20 VanDerWaalsContact O-N 3.15Å; Q17-L20 PolarHBondContact O-N 2.99Å; R18-L20 VanDerWaalsContact C-N 3.26Å; R18-L20 PolarHBondContact O-N 3.24Å; L20-S22 PolarHBondContact O-N 2.87Å; L20-S22 VanDerWaalsContact O-N 3.13Å; L20-E23 HydrophobicContact CD2-CG 4.11Å; L20-E23 WeakPolarHBondContact O-CB 3.35Å; L20-E23 PolarHBondContact O-N 3.15Å; L20-K28 WeakPolarHBondContact O-CE 3.26Å; L20-Y31 HydrophobicContact CD1-CD1 3.26Å; L20-Y31 HydrophobicContact CD1-CD2 4.32Å; L20-Y31 HydrophobicContact CD1-CE1 3.4Å; L20-Y31 HydrophobicContact CD1-CE2 4.41Å; L20-Y31 HydrophobicContact CD1-CG 3.72Å; L20-Y31 HydrophobicContact CD2-CG 4.49Å; L20-W72 HydrophobicContact CD2-CG 4.47Å
21S91.7Very high94.3Very high79 Ų7972 Ų7255%0.55237%0.37SS*.THydrogen-bonded Turntrans-55.9-34.7-172.159.50000113.7Q17 R18 H19 K28Q17-S21 PolarHBondContact O-N 3.4Å; Q17-S21 VanDerWaalsContact O-N 3.14Å; R18-S21 VanDerWaalsContact O-CB 3.26Å; R18-S21 WeakPolarHBondContact O-CB 2.89Å; R18-S21 PolarHBondContact O-N 3.39Å; R18-S21 VanDerWaalsContact O-N 3.15Å; R18-S21 PolarHBondContact O-OG 3.49Å; H19-S21 VanDerWaalsContact C-N 3.3Å; H19-S21 PolarHBondContact O-N 3.17Å; S21-K28 PolarHBondContact O-NZ 3.04Å
22S91.4Very high94.4Very high105 Ų10572.8 Ų72.873%0.73437%0.374SS*.THydrogen-bonded Turntrans-81.7-12178.356.60000114.9L20L20-S22 PolarHBondContact O-N 2.87Å; L20-S22 VanDerWaalsContact O-N 3.13Å
23E94.1Very high94.5Very high54 Ų5475.3 Ų75.325%0.25239%0.392SS..SBendtrans-75.5147.8-179.1-72.6-73.4164.200111.9L20 R27 K28L20-E23 HydrophobicContact CD2-CG 4.11Å; L20-E23 WeakPolarHBondContact O-CB 3.35Å; L20-E23 PolarHBondContact O-N 3.15Å; E23-R27 WeakPolarHBondContact OE2-CD 3.43Å; E23-R27 IonicContact OE2-CZ 3.86Å; E23-R27 IonicContact OE2-NE 3.9Å; E23-R27 IonicContact OE2-NH1 3.66Å; E23-R27 PolarHBondContact OE2-NH1 3.41Å; E23-K28 HydrophobicContact CB-CG 4.23Å; E23-K28 WeakPolarHBondContact O-CE 3.26Å; E23-K28 PolarHBondContact O-NZ 2.99Å; E23-K28 VanDerWaalsContact O-NZ 3.07Å
24P96.1Very high94.6Very high62 Ų6275.6 Ų75.640%0.40339%0.393SS..  trans-63.5153.1175.128-35.2000111.7S26 R27 K28P24-S26 VanDerWaalsContact C-N 3.26Å; P24-S26 PolarHBondContact O-N 3.07Å; P24-S26 VanDerWaalsContact O-N 3.17Å; P24-R27 HydrophobicContact CG-CB 4.07Å; P24-R27 HydrophobicContact CG-CG 3.84Å; P24-R27 PolarHBondContact O-N 3.4Å; P24-K28 PolarHBondContact O-N 2.95Å
25L95.8Very high94.7Very high121 Ų12169.4 Ų69.463%0.63436%0.363SS*.Hα-helixtrans-53.2-41.1-175.2-168.590.8000113R27 K28 K29L25-R27 VanDerWaalsContact C-N 3.35Å; L25-R27 PolarHBondContact O-N 3.47Å; L25-K28 PolarHBondContact O-N 2.81Å; L25-K29 WeakPolarHBondContact O-CG 3.39Å; L25-K29 PolarHBondContact O-N 2.95Å
26S96.9Very high94.8Very high77 Ų7771.8 Ų71.854%0.53837%0.372SS..Hα-helixtrans-61.2-42.4179.255.70000112P24 K29 L30P24-S26 VanDerWaalsContact C-N 3.26Å; P24-S26 PolarHBondContact O-N 3.07Å; P24-S26 VanDerWaalsContact O-N 3.17Å; S26-K29 PolarHBondContact O-N 2.91Å; S26-L30 WeakPolarHBondContact O-CG 3.36Å; S26-L30 PolarHBondContact O-N 2.96Å
27R95.5Very high95Very high98 Ų9873.7 Ų73.737%0.3739%0.385SS..Hα-helixtrans-72.3-34.9178-68.3-178.3-171.7174.84112.6E23 P24 L25 L30 Y31E23-R27 WeakPolarHBondContact OE2-CD 3.43Å; E23-R27 IonicContact OE2-CZ 3.86Å; E23-R27 IonicContact OE2-NE 3.9Å; E23-R27 IonicContact OE2-NH1 3.66Å; E23-R27 PolarHBondContact OE2-NH1 3.41Å; P24-R27 HydrophobicContact CG-CB 4.07Å; P24-R27 HydrophobicContact CG-CG 3.84Å; P24-R27 PolarHBondContact O-N 3.4Å; L25-R27 VanDerWaalsContact C-N 3.35Å; L25-R27 PolarHBondContact O-N 3.47Å; R27-L30 PolarHBondContact O-N 3.47Å; R27-Y31 WeakPolarHBondContact O-CB 3.32Å; R27-Y31 PolarHBondContact O-N 3.3Å
28K95.5Very high95.2Very high76 Ų7668 Ų6833%0.3336%0.359SS..Hα-helixtrans-60.4-46.6170.8-72.8174174.5156.40111.5L20 S21 E23 P24 L25 Y31 L32L20-K28 WeakPolarHBondContact O-CE 3.26Å; S21-K28 PolarHBondContact O-NZ 3.04Å; E23-K28 HydrophobicContact CB-CG 4.23Å; E23-K28 WeakPolarHBondContact O-CE 3.26Å; E23-K28 PolarHBondContact O-NZ 2.99Å; E23-K28 VanDerWaalsContact O-NZ 3.07Å; P24-K28 PolarHBondContact O-N 2.95Å; L25-K28 PolarHBondContact O-N 2.81Å; K28-Y31 PolarHBondContact O-N 3.35Å; K28-L32 PolarHBondContact O-N 2.8Å
29K95.8Very high95.5Very high141 Ų14162.8 Ų62.861%0.61334%0.341SS*.Hα-helixtrans-62-43.5175.7-73.4-176.3178.7-175.50111.7L25 S26 L32 S33L25-K29 WeakPolarHBondContact O-CG 3.39Å; L25-K29 PolarHBondContact O-N 2.95Å; S26-K29 PolarHBondContact O-N 2.91Å; K29-L32 PolarHBondContact O-N 3.24Å; K29-S33 PolarHBondContact O-N 3.11Å; K29-S33 PolarHBondContact O-OG 3.09Å
30L97.1Very high95.9Very high97 Ų9764.2 Ų64.251%0.50835%0.35SS..Hα-helixtrans-59.7-46.8175.6-76.5166000111.6S26 R27 L32 S33 M34 W72S26-L30 WeakPolarHBondContact O-CG 3.36Å; S26-L30 PolarHBondContact O-N 2.96Å; R27-L30 PolarHBondContact O-N 3.47Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.16Å; L30-S33 WeakPolarHBondContact CA-OG 3.37Å; L30-S33 PolarHBondContact O-N 3.3Å; L30-S33 PolarHBondContact O-OG 3.4Å; L30-M34 VanDerWaalsContact O-CG 3.28Å; L30-M34 WeakPolarHBondContact O-CG 3.41Å; L30-M34 PolarHBondContact O-N 2.93Å; L30-W72 HydrophobicContact CB-CH2 4.38Å; L30-W72 HydrophobicContact CB-CZ2 4.34Å
31Y96.7Very high96.1Very high5 Ų564.2 Ų64.22%0.0235%0.351CS..Hα-helixtrans-56.9-47.8177.2-176.3-99.7000112.2L20 R27 K28 S33 M34 L35 I68 W72 P160 A162L20-Y31 HydrophobicContact CD1-CD1 3.26Å; L20-Y31 HydrophobicContact CD1-CD2 4.32Å; L20-Y31 HydrophobicContact CD1-CE1 3.4Å; L20-Y31 HydrophobicContact CD1-CE2 4.41Å; L20-Y31 HydrophobicContact CD1-CG 3.72Å; L20-Y31 HydrophobicContact CD2-CG 4.49Å; R27-Y31 WeakPolarHBondContact O-CB 3.32Å; R27-Y31 PolarHBondContact O-N 3.3Å; K28-Y31 PolarHBondContact O-N 3.35Å; Y31-S33 PolarHBondContact O-N 3.19Å; Y31-M34 PolarHBondContact O-N 3.44Å; Y31-L35 HydrophobicContact CD1-CD1 3.87Å; Y31-L35 HydrophobicContact CD1-CG 4.42Å; Y31-L35 HydrophobicContact CE1-CD1 3.43Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.43Å; Y31-L35 HydrophobicContact CE1-CG 4.16Å; Y31-L35 PolarHBondContact O-N 3.45Å; Y31-I68 HydrophobicContact CE2-CG2 4.15Å; Y31-W72 HydrophobicContact CD2-CB 4.36Å; Y31-W72 AromaticContact CD2-CD2 3.46Å; Y31-W72 HydrophobicContact CD2-CD2 3.46Å; Y31-W72 VanDerWaalsContact CD2-CD2 3.46Å; Y31-W72 AromaticContact CD2-CE2 3.66Å; Y31-W72 AromaticContact CD2-CE3 3.73Å; Y31-W72 HydrophobicContact CD2-CE3 3.73Å; Y31-W72 AromaticContact CD2-CG 3.77Å; Y31-W72 HydrophobicContact CD2-CG 3.77Å; Y31-W72 HydrophobicContact CD2-CH2 4.3Å; Y31-W72 HydrophobicContact CD2-CZ2 4.09Å; Y31-W72 HydrophobicContact CD2-CZ3 4.14Å; Y31-W72 HydrophobicContact CE2-CB 4.14Å; Y31-W72 HydrophobicContact CE2-CD2 4.1Å; Y31-W72 HydrophobicContact CE2-CE3 4.31Å; Y31-W72 HydrophobicContact CE2-CG 4.05Å; Y31-W72 HydrophobicContact CG-CD2 4.45Å; Y31-W72 HydrophobicContact CG-CZ2 4.41Å; Y31-P160 HydrophobicContact CE2-CG 4.4Å; Y31-A162 HydrophobicContact CE1-CB 4.38Å; Y31-A162 WeakPolarHBondContact OH-CB 3.32Å
32L96.6Very high96.4Very high73 Ų7360.7 Ų60.738%0.38233%0.326SS..Hα-helixtrans-65.5-38.7178.7-169.8133.4000111.7I13 K28 K29 L30 M34 L35 I36I13-L32 HydrophobicContact CD1-CD1 4.2Å; I13-L32 HydrophobicContact CG1-CD1 4.4Å; K28-L32 PolarHBondContact O-N 2.8Å; K29-L32 PolarHBondContact O-N 3.24Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.16Å; L32-M34 VanDerWaalsContact C-N 3.29Å; L32-M34 PolarHBondContact O-N 3.15Å; L32-L35 PolarHBondContact O-N 2.96Å; L32-I36 HydrophobicContact CD2-CD1 3.49Å; L32-I36 VanDerWaalsContact CD2-CD1 3.49Å; L32-I36 HydrophobicContact CD2-CG1 4.39Å; L32-I36 HydrophobicContact CG-CD1 4.32Å; L32-I36 WeakPolarHBondContact O-CG1 3.46Å; L32-I36 PolarHBondContact O-N 3.46Å
33S97.2Very high96.7Very high54 Ų5457.9 Ų57.938%0.37830%0.302SS..Hα-helixtrans-63.9-33.7173.566.10000112.8K29 L30 Y31 I36 S37K29-S33 PolarHBondContact O-N 3.11Å; K29-S33 PolarHBondContact O-OG 3.09Å; L30-S33 WeakPolarHBondContact CA-OG 3.37Å; L30-S33 PolarHBondContact O-N 3.3Å; L30-S33 PolarHBondContact O-OG 3.4Å; Y31-S33 PolarHBondContact O-N 3.19Å; S33-I36 PolarHBondContact O-N 2.94Å; S33-S37 WeakPolarHBondContact O-CB 3.34Å; S33-S37 PolarHBondContact O-N 3.39Å; S33-S37 PolarHBondContact O-OG 3.47Å
34M97.5Very high96.8Very high44 Ų4458.8 Ų58.822%0.21731%0.307CS..Hα-helixtrans-71.3-35.9175.6-64.1-54.5-92.800112L30 Y31 L32 S37 L38 P64 A67 I68 W72L30-M34 VanDerWaalsContact O-CG 3.28Å; L30-M34 WeakPolarHBondContact O-CG 3.41Å; L30-M34 PolarHBondContact O-N 2.93Å; Y31-M34 PolarHBondContact O-N 3.44Å; L32-M34 VanDerWaalsContact C-N 3.29Å; L32-M34 PolarHBondContact O-N 3.15Å; M34-S37 WeakPolarHBondContact CA-OG 3.49Å; M34-S37 PolarHBondContact O-OG 3.47Å; M34-S37 VanDerWaalsContact O-OG 3.04Å; M34-L38 VanDerWaalsContact O-CB 3.25Å; M34-L38 WeakPolarHBondContact O-CB 3.38Å; M34-L38 PolarHBondContact O-N 2.9Å; M34-P64 HydrophobicContact CE-CB 4.36Å; M34-A67 HydrophobicContact CE-CB 3.24Å; M34-I68 HydrophobicContact CB-CD1 4.22Å; M34-I68 HydrophobicContact CB-CG1 4.07Å; M34-W72 HydrophobicContact CG-CH2 4.42Å
35L97Very high96.9Very high5 Ų555.8 Ų55.83%0.02629%0.288CS..Hα-helixtrans-67-40.2172.5-71.1176.3000112L9 Y31 L32 L38 Q39 I68 A162L9-L35 HydrophobicContact CD1-CB 4.24Å; Y31-L35 HydrophobicContact CD1-CD1 3.87Å; Y31-L35 HydrophobicContact CD1-CG 4.42Å; Y31-L35 HydrophobicContact CE1-CD1 3.43Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.43Å; Y31-L35 HydrophobicContact CE1-CG 4.16Å; Y31-L35 PolarHBondContact O-N 3.45Å; L32-L35 PolarHBondContact O-N 2.96Å; L35-L38 WeakPolarHBondContact O-CB 3.21Å; L35-L38 PolarHBondContact O-N 3.47Å; L35-Q39 PolarHBondContact O-N 3.48Å; L35-I68 HydrophobicContact CD2-CD1 3.73Å; L35-I68 HydrophobicContact CG-CD1 4.35Å; L35-A162 HydrophobicContact CD1-CB 4.13Å; L35-A162 HydrophobicContact CD2-CB 3.93Å
36I97.4Very high96.9Very high66 Ų6650.8 Ų50.834%0.33826%0.261SS..Hα-helixtrans-67.5-44.1176.7-67.6171.2000110.9L9 L32 S33 L38 Q39 I40L9-I36 HydrophobicContact CD1-CG1 4.19Å; L32-I36 HydrophobicContact CD2-CD1 3.49Å; L32-I36 VanDerWaalsContact CD2-CD1 3.49Å; L32-I36 HydrophobicContact CD2-CG1 4.39Å; L32-I36 HydrophobicContact CG-CD1 4.32Å; L32-I36 WeakPolarHBondContact O-CG1 3.46Å; L32-I36 PolarHBondContact O-N 3.46Å; S33-I36 PolarHBondContact O-N 2.94Å; I36-L38 VanDerWaalsContact C-N 3.29Å; I36-L38 PolarHBondContact O-N 2.92Å; I36-Q39 WeakPolarHBondContact O-CB 3.21Å; I36-Q39 PolarHBondContact O-N 2.97Å; I36-Q39 VanDerWaalsContact O-N 3.11Å; I36-I40 HydrophobicContact CG2-CD1 3.81Å; I36-I40 HydrophobicContact CG2-CG1 4.37Å; I36-I40 WeakPolarHBondContact O-CG1 3.37Å; I36-I40 PolarHBondContact O-N 3.49Å
37S97.8Very high96.9Very high44 Ų4450.3 Ų50.331%0.30826%0.255SS..Hα-helixtrans-64.2-36.2177.169.10000112S33 M34 I40 S41 P64S33-S37 WeakPolarHBondContact O-CB 3.34Å; S33-S37 PolarHBondContact O-N 3.39Å; S33-S37 PolarHBondContact O-OG 3.47Å; M34-S37 WeakPolarHBondContact CA-OG 3.49Å; M34-S37 PolarHBondContact O-OG 3.47Å; M34-S37 VanDerWaalsContact O-OG 3.04Å; S37-I40 PolarHBondContact O-N 2.92Å; S37-S41 PolarHBondContact O-N 3.23Å; S37-S41 PolarHBondContact O-OG 2.72Å; S37-P64 WeakPolarHBondContact OG-CG 3.14Å
38L97.3Very high96.9Very high3 Ų345.8 Ų45.82%0.01624%0.238CC..Hα-helixtrans-61.2-44.9170.2-174.562.2000111.7M34 L35 I36 S41 L42 P64 T65 I68 V166M34-L38 VanDerWaalsContact O-CB 3.25Å; M34-L38 WeakPolarHBondContact O-CB 3.38Å; M34-L38 PolarHBondContact O-N 2.9Å; L35-L38 WeakPolarHBondContact O-CB 3.21Å; L35-L38 PolarHBondContact O-N 3.47Å; I36-L38 VanDerWaalsContact C-N 3.29Å; I36-L38 PolarHBondContact O-N 2.92Å; L38-S41 WeakPolarHBondContact CA-OG 3.36Å; L38-S41 PolarHBondContact O-OG 3.24Å; L38-L42 HydrophobicContact CD1-CD1 4.34Å; L38-L42 HydrophobicContact CG-CD1 4.02Å; L38-L42 WeakPolarHBondContact O-CB 3.45Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 2.94Å; L38-P64 HydrophobicContact CB-CB 3.89Å; L38-P64 HydrophobicContact CB-CG 4.41Å; L38-P64 HydrophobicContact CD1-CB 4.24Å; L38-T65 HydrophobicContact CD1-CG2 3.43Å; L38-T65 VanDerWaalsContact CD1-CG2 3.43Å; L38-T65 HydrophobicContact CD2-CG2 3.78Å; L38-T65 HydrophobicContact CG-CG2 4.26Å; L38-I68 HydrophobicContact CD2-CD1 4.29Å; L38-V166 HydrophobicContact CD2-CB 4.02Å; L38-V166 HydrophobicContact CD2-CG1 3.46Å; L38-V166 VanDerWaalsContact CD2-CG1 3.46Å; L38-V166 HydrophobicContact CD2-CG2 4.12Å; L38-V166 HydrophobicContact CG-CG1 4.18Å
39Q96.6Very high96.9Very high35 Ų3545.8 Ų45.816%0.16425%0.245CC..Hα-helixtrans-63.5-44.7177.4-171.9-170.3-200111.8L9 L35 I36 L42 I43L9-Q39 HydrophobicContact CD1-CB 3.96Å; L9-Q39 HydrophobicContact CD1-CG 4.48Å; L35-Q39 PolarHBondContact O-N 3.48Å; I36-Q39 WeakPolarHBondContact O-CB 3.21Å; I36-Q39 PolarHBondContact O-N 2.97Å; I36-Q39 VanDerWaalsContact O-N 3.11Å; Q39-L42 PolarHBondContact O-N 3.38Å; Q39-I43 HydrophobicContact CG-CD1 3.88Å; Q39-I43 HydrophobicContact CG-CG1 4.39Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 3.34Å
40I97.3Very high96.9Very high98 Ų9841.8 Ų41.850%0.50323%0.228SC..Hα-helixtrans-61-49.4179.6-66.8165.6000110I36 S37 L42 I43 M44I36-I40 HydrophobicContact CG2-CD1 3.81Å; I36-I40 HydrophobicContact CG2-CG1 4.37Å; I36-I40 WeakPolarHBondContact O-CG1 3.37Å; I36-I40 PolarHBondContact O-N 3.49Å; S37-I40 PolarHBondContact O-N 2.92Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 3.14Å; I40-I43 PolarHBondContact O-N 3.48Å; I40-M44 VanDerWaalsContact O-CG 3.31Å; I40-M44 WeakPolarHBondContact O-CG 3.49Å; I40-M44 PolarHBondContact O-N 2.89Å
41S97.3Very high96.8Very high11 Ų1137.3 Ų37.38%0.07721%0.205CC..Hα-helixtrans-58.4-43.7176.552.70000111.6S37 L38 M44 T45 T60S37-S41 PolarHBondContact O-N 3.23Å; S37-S41 PolarHBondContact O-OG 2.72Å; L38-S41 WeakPolarHBondContact CA-OG 3.36Å; L38-S41 PolarHBondContact O-OG 3.24Å; S41-M44 PolarHBondContact O-N 3.16Å; S41-T45 WeakPolarHBondContact O-CG2 3.49Å; S41-T45 PolarHBondContact O-N 3.37Å; S41-T60 WeakPolarHBondContact CB-OG1 3.23Å
42L97.1Very high96.8Very high5 Ų539.7 Ų39.73%0.02622%0.217CC..Hα-helixtrans-62.1-44.3176.3-74170.3000113.4T5 L38 Q39 I40 M44 T45 F46 T61 V166 V170 L171 L174T5-L42 HydrophobicContact CG2-CB 4.4Å; L38-L42 HydrophobicContact CD1-CD1 4.34Å; L38-L42 HydrophobicContact CG-CD1 4.02Å; L38-L42 WeakPolarHBondContact O-CB 3.45Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 2.94Å; Q39-L42 PolarHBondContact O-N 3.38Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 3.14Å; L42-M44 VanDerWaalsContact C-N 3.3Å; L42-M44 PolarHBondContact O-N 3.49Å; L42-T45 WeakPolarHBondContact CA-OG1 3.48Å; L42-T45 PolarHBondContact O-N 2.83Å; L42-T45 PolarHBondContact O-OG1 3.13Å; L42-F46 HydrophobicContact CD2-CE2 4.47Å; L42-F46 WeakPolarHBondContact O-CD2 3.41Å; L42-F46 PolarHBondContact O-N 3.29Å; L42-T61 HydrophobicContact CD2-CG2 3.77Å; L42-T61 HydrophobicContact CG-CG2 4.08Å; L42-V166 HydrophobicContact CD1-CG1 3.97Å; L42-V170 HydrophobicContact CD1-CB 4.31Å; L42-V170 HydrophobicContact CD1-CG1 3.93Å; L42-V170 HydrophobicContact CD2-CG1 3.7Å; L42-V170 HydrophobicContact CG-CG1 4.32Å; L42-L171 HydrophobicContact CD2-CD2 4.02Å; L42-L174 HydrophobicContact CD2-CD1 3.79Å; L42-L174 HydrophobicContact CD2-CD2 4.18Å; L42-L174 HydrophobicContact CD2-CG 4.2Å
43I97.5Very high96.8Very high47 Ų4740 Ų4024%0.24122%0.218CC..Hα-helixtrans-60.1-46.3177-68.7166.1000109.6L2 T6 Q39 I40 T45 F46 T47L2-I43 HydrophobicContact CD1-CG2 4.29Å; T6-I43 HydrophobicContact CG2-CD1 4Å; T6-I43 HydrophobicContact CG2-CG1 4.41Å; Q39-I43 HydrophobicContact CG-CD1 3.88Å; Q39-I43 HydrophobicContact CG-CG1 4.39Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 3.34Å; I40-I43 PolarHBondContact O-N 3.48Å; I43-T45 VanDerWaalsContact C-N 3.32Å; I43-T45 PolarHBondContact O-N 2.94Å; I43-F46 PolarHBondContact O-N 2.69Å; I43-T47 PolarHBondContact O-N 3.16Å; I43-T47 VanDerWaalsContact O-N 3.17Å; I43-T47 PolarHBondContact O-OG1 3.27Å; I43-T47 VanDerWaalsContact O-OG1 3.14Å
44M97.5Very high96.8Very high72 Ų7237.6 Ų37.636%0.35520%0.201SC..Hα-helixtrans-63.9-34177.8-64-58.1-69.200112.7I40 S41 L42 F46 T47 A48 F57I40-M44 VanDerWaalsContact O-CG 3.31Å; I40-M44 WeakPolarHBondContact O-CG 3.49Å; I40-M44 PolarHBondContact O-N 2.89Å; S41-M44 PolarHBondContact O-N 3.16Å; L42-M44 VanDerWaalsContact C-N 3.3Å; L42-M44 PolarHBondContact O-N 3.49Å; M44-F46 PolarHBondContact O-N 2.85Å; M44-T47 PolarHBondContact O-N 3.42Å; M44-T47 PolarHBondContact O-OG1 3.42Å; M44-A48 WeakPolarHBondContact O-CB 3.35Å; M44-A48 PolarHBondContact O-N 3.31Å; M44-F57 HydrophobicContact CB-CB 4.48Å; M44-F57 HydrophobicContact CB-CD1 3.88Å; M44-F57 HydrophobicContact CB-CD2 3.64Å; M44-F57 HydrophobicContact CB-CE1 3.94Å; M44-F57 HydrophobicContact CB-CE2 3.68Å; M44-F57 HydrophobicContact CB-CG 3.75Å; M44-F57 HydrophobicContact CB-CZ 3.84Å; M44-F57 HydrophobicContact CE-CE2 3.84Å; M44-F57 HydrophobicContact CE-CZ 3.8Å; M44-F57 HydrophobicContact CG-CE1 4.28Å; M44-F57 HydrophobicContact CG-CE2 4.39Å; M44-F57 HydrophobicContact CG-CZ 4.16Å
45T96.9Very high96.8Very high0 Ų036.3 Ų36.30%019%0.194CC..Hα-helixtrans-62-42.5173.459.20000112.7S41 L42 I43 T47 F54 F57 F58 T61 L174S41-T45 WeakPolarHBondContact O-CG2 3.49Å; S41-T45 PolarHBondContact O-N 3.37Å; L42-T45 WeakPolarHBondContact CA-OG1 3.48Å; L42-T45 PolarHBondContact O-N 2.83Å; L42-T45 PolarHBondContact O-OG1 3.13Å; I43-T45 VanDerWaalsContact C-N 3.32Å; I43-T45 PolarHBondContact O-N 2.94Å; T45-T47 VanDerWaalsContact C-N 3.33Å; T45-F54 WeakPolarHBondContact O-CD2 3.38Å; T45-F57 HydrophobicContact CG2-CB 3.43Å; T45-F57 VanDerWaalsContact CG2-CB 3.43Å; T45-F58 HydrophobicContact CG2-CB 4.44Å; T45-T61 HydrophobicContact CG2-CG2 4.17Å; T45-L174 HydrophobicContact CG2-CD2 4.33Å; T45-L174 WeakPolarHBondContact OG1-CD2 3.21Å
46F96.3Very high96.8Very high15 Ų1540.4 Ų40.47%0.06621%0.214CC..Hα-helixtrans-78.3-19.7-176.2-68.1-59.6000113L1 T5 L42 I43 M44 V170 L174 Y177L1-F46 HydrophobicContact CB-CD1 3.97Å; L1-F46 HydrophobicContact CB-CD2 4.35Å; L1-F46 HydrophobicContact CB-CE1 3.78Å; L1-F46 HydrophobicContact CB-CE2 4.18Å; L1-F46 HydrophobicContact CB-CG 4.26Å; L1-F46 HydrophobicContact CB-CZ 3.89Å; L1-F46 HydrophobicContact CD1-CD1 4.11Å; L1-F46 HydrophobicContact CD1-CE1 3.47Å; L1-F46 VanDerWaalsContact CD1-CE1 3.47Å; L1-F46 HydrophobicContact CD1-CZ 4.03Å; L1-F46 HydrophobicContact CG-CE1 4.2Å; L1-F46 HydrophobicContact CG-CZ 4.43Å; T5-F46 HydrophobicContact CG2-CD2 3.9Å; T5-F46 HydrophobicContact CG2-CE2 3.52Å; L42-F46 HydrophobicContact CD2-CE2 4.47Å; L42-F46 WeakPolarHBondContact O-CD2 3.41Å; L42-F46 PolarHBondContact O-N 3.29Å; I43-F46 PolarHBondContact O-N 2.69Å; M44-F46 PolarHBondContact O-N 2.85Å; F46-V170 HydrophobicContact CE2-CG1 3.64Å; F46-V170 HydrophobicContact CZ-CG1 3.84Å; F46-L174 HydrophobicContact CE1-CD2 3.74Å; F46-L174 HydrophobicContact CE2-CD2 4.08Å; F46-L174 HydrophobicContact CZ-CD2 3.48Å; F46-L174 VanDerWaalsContact CZ-CD2 3.48Å; F46-L174 HydrophobicContact CZ-CG 4.23Å; F46-Y177 AromaticContact CD1-CD1 3.78Å; F46-Y177 HydrophobicContact CD1-CD1 3.78Å; F46-Y177 HydrophobicContact CD1-CD2 4.14Å; F46-Y177 AromaticContact CD1-CE1 3.93Å; F46-Y177 HydrophobicContact CD1-CE1 3.93Å; F46-Y177 HydrophobicContact CD1-CE2 4.28Å; F46-Y177 AromaticContact CD1-CG 3.88Å; F46-Y177 HydrophobicContact CD1-CG 3.88Å; F46-Y177 AromaticContact CE1-CD1 3.98Å; F46-Y177 HydrophobicContact CE1-CD1 3.98Å; F46-Y177 HydrophobicContact CE1-CD2 4.43Å; F46-Y177 AromaticContact CE1-CG 3.89Å; F46-Y177 HydrophobicContact CE1-CG 3.89Å; F46-Y177 PolarHBondContact O-OH 3.06Å
47T96.3Very high96.8Very high67 Ų6739.7 Ų39.741%0.41121%0.209SC..Hα-helixtrans-98.7-9.4177.458.50000114.2L2 I43 M44 T45 T49L2-T47 HydrophobicContact CD1-CG2 3.44Å; L2-T47 VanDerWaalsContact CD1-CG2 3.44Å; I43-T47 PolarHBondContact O-N 3.16Å; I43-T47 VanDerWaalsContact O-N 3.17Å; I43-T47 PolarHBondContact O-OG1 3.27Å; I43-T47 VanDerWaalsContact O-OG1 3.14Å; M44-T47 PolarHBondContact O-N 3.42Å; M44-T47 PolarHBondContact O-OG1 3.42Å; T45-T47 VanDerWaalsContact C-N 3.33Å; T47-T49 PolarHBondContact O-N 3.06Å
48A96.6Very high96.8Very high3 Ų337.7 Ų37.73%0.02520%0.195CC..  trans-58.9122.818000000112M44 M53 F54M44-A48 WeakPolarHBondContact O-CB 3.35Å; M44-A48 PolarHBondContact O-N 3.31Å; A48-M53 HydrophobicContact CB-CB 4.41Å; A48-M53 HydrophobicContact CB-CG 4.26Å; A48-M53 HydrophobicContact CB-SD 4.5Å; A48-F54 HydrophobicContact CB-CB 3.85Å
49T94.5Very high96.8Very high77 Ų7738.7 Ų38.747%0.47220%0.199SC..  trans-88.2-34.2177.850.10000112.6T47 I112T47-T49 PolarHBondContact O-N 3.06Å; T49-I112 VanDerWaalsContact O-CD1 3.31Å; T49-I112 WeakPolarHBondContact O-CD1 3.4Å; T49-I112 VanDerWaalsContact O-CG1 3.25Å; T49-I112 WeakPolarHBondContact O-CG1 3.11Å; T49-I112 PolarHBondContact O-N 2.87Å
50E95.6Very high96.8Very high57 Ų5739.3 Ų39.327%0.26621%0.205SC..BIsolated β-bridgetrans-90132.1174.7-71.1-70161.200110.8I52 M53 F54 L110 N111E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 3.06Å; E50-M53 HydrophobicContact CB-CB 4.1Å; E50-M53 WeakPolarHBondContact O-CB 3.2Å; E50-M53 PolarHBondContact O-N 2.87Å; E50-M53 VanDerWaalsContact O-N 3.16Å; E50-F54 PolarHBondContact O-N 2.96Å; E50-L110 WeakPolarHBondContact OE2-CA 3.42Å; E50-L110 WeakPolarHBondContact OE2-CB 3.26Å; E50-L110 PolarHBondContact OE2-N 3.44Å; E50-N111 WeakPolarHBondContact OE1-CA 3.34Å; E50-N111 WeakPolarHBondContact OE1-CB 3.12Å; E50-N111 PolarHBondContact OE2-N 3.5Å
51L95.4Very high96.8Very high3 Ų334.6 Ų34.62%0.01618%0.181CC..Hα-helixtrans-64.9-29.7-177.5-67.2171.2000113.5F54 Y55 L100 L110 I112 L115 R181 L182 I185L51-F54 WeakPolarHBondContact O-CB 3.44Å; L51-F54 PolarHBondContact O-N 3.44Å; L51-Y55 PolarHBondContact O-N 3.12Å; L51-L100 HydrophobicContact CB-CD2 3.7Å; L51-L100 HydrophobicContact CD1-CD2 4Å; L51-L100 HydrophobicContact CG-CD2 4.46Å; L51-L110 HydrophobicContact CB-CB 4.16Å; L51-L110 PolarHBondContact N-O 2.94Å; L51-I112 HydrophobicContact CD2-CD1 4.09Å; L51-I112 HydrophobicContact CD2-CG1 3.83Å; L51-I112 HydrophobicContact CG-CG1 4.05Å; L51-L115 HydrophobicContact CD1-CD1 3.55Å; L51-L115 HydrophobicContact CG-CD1 4.29Å; L51-R181 HydrophobicContact CD2-CB 4.43Å; L51-L182 HydrophobicContact CD1-CD2 3.77Å; L51-L182 HydrophobicContact CD2-CD2 4.11Å; L51-I185 HydrophobicContact CD1-CD1 3.75Å
52I96.3Very high96.8Very high54 Ų5434.7 Ų34.728%0.27718%0.181SC..Hα-helixtrans-70-37.1175.9-157.969.5000111.6E50 Y55 I56 L97 L100 I101 L110E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 3.06Å; I52-Y55 WeakPolarHBondContact O-CB 3.36Å; I52-Y55 PolarHBondContact O-N 3.41Å; I52-I56 WeakPolarHBondContact O-CG1 3.37Å; I52-I56 PolarHBondContact O-N 3.47Å; I52-L97 HydrophobicContact CD1-CD1 3.66Å; I52-L100 HydrophobicContact CD1-CB 4.24Å; I52-I101 HydrophobicContact CD1-CG1 4.42Å; I52-L110 HydrophobicContact CB-CD1 3.94Å
53M96.9Very high96.7Very high79 Ų7940.1 Ų40.139%0.38921%0.209SC..Hα-helixtrans-67.9-40.4174.7-175.3-176-67.100110.3A48 E50 Y55 I56 F57A48-M53 HydrophobicContact CB-CB 4.41Å; A48-M53 HydrophobicContact CB-CG 4.26Å; A48-M53 HydrophobicContact CB-SD 4.5Å; E50-M53 HydrophobicContact CB-CB 4.1Å; E50-M53 WeakPolarHBondContact O-CB 3.2Å; E50-M53 PolarHBondContact O-N 2.87Å; E50-M53 VanDerWaalsContact O-N 3.16Å; M53-Y55 VanDerWaalsContact C-N 3.33Å; M53-Y55 PolarHBondContact O-N 3.45Å; M53-I56 PolarHBondContact O-N 3.26Å; M53-F57 HydrophobicContact CG-CD2 3.64Å; M53-F57 HydrophobicContact CG-CE2 3.33Å; M53-F57 HydrophobicContact CG-CZ 4.41Å; M53-F57 WeakPolarHBondContact O-CD2 3.49Å; M53-F57 PolarHBondContact O-N 3.22Å; M53-F57 HydrophobicContact SD-CE2 3.84Å
54F97.3Very high96.7Very high5 Ų538.3 Ų38.32%0.02220%0.2CC..Hα-helixtrans-55.7-47.3170.3168.7-103.7000111.3T45 A48 E50 L51 F57 F58 F139 Y177T45-F54 WeakPolarHBondContact O-CD2 3.38Å; A48-F54 HydrophobicContact CB-CB 3.85Å; E50-F54 PolarHBondContact O-N 2.96Å; L51-F54 WeakPolarHBondContact O-CB 3.44Å; L51-F54 PolarHBondContact O-N 3.44Å; F54-F57 PolarHBondContact O-N 2.79Å; F54-F58 HydrophobicContact CZ-CD2 4.41Å; F54-F58 WeakPolarHBondContact O-CB 3.37Å; F54-F58 PolarHBondContact O-N 3.02Å; F54-F139 AromaticContact CE1-CE1 3.71Å; F54-F139 HydrophobicContact CE1-CE1 3.71Å; F54-F139 AromaticContact CE1-CZ 3.84Å; F54-F139 HydrophobicContact CE1-CZ 3.84Å; F54-F139 AromaticContact CZ-CE1 3.98Å; F54-F139 HydrophobicContact CZ-CE1 3.98Å; F54-Y177 HydrophobicContact CD2-CD1 4.45Å; F54-Y177 HydrophobicContact CD2-CE1 4.04Å; F54-Y177 AromaticContact CE2-CD1 3.64Å; F54-Y177 HydrophobicContact CE2-CD1 3.64Å; F54-Y177 AromaticContact CE2-CE1 3.68Å; F54-Y177 HydrophobicContact CE2-CE1 3.68Å; F54-Y177 HydrophobicContact CZ-CD1 4.21Å
55Y97.5Very high96.7Very high17 Ų1735.2 Ų35.27%0.06719%0.185CC..Hα-helixtrans-60.4-48.4177.2173.9-91.1000112.6L51 I52 M53 F57 F58 E59 S93 L96 L97 L100L51-Y55 PolarHBondContact O-N 3.12Å; I52-Y55 WeakPolarHBondContact O-CB 3.36Å; I52-Y55 PolarHBondContact O-N 3.41Å; M53-Y55 VanDerWaalsContact C-N 3.33Å; M53-Y55 PolarHBondContact O-N 3.45Å; Y55-F57 PolarHBondContact O-N 3.4Å; Y55-F58 WeakPolarHBondContact O-CB 3.31Å; Y55-F58 PolarHBondContact O-N 2.96Å; Y55-E59 HydrophobicContact CD2-CG 4.48Å; Y55-E59 HydrophobicContact CE1-CG 3.99Å; Y55-E59 HydrophobicContact CE2-CG 3.93Å; Y55-E59 PolarHBondContact O-N 2.98Å; Y55-S93 VanDerWaalsContact CE2-O 3.31Å; Y55-S93 WeakPolarHBondContact CE2-O 3.38Å; Y55-L96 HydrophobicContact CD2-CD2 3.85Å; Y55-L96 HydrophobicContact CD2-CG 4.13Å; Y55-L96 HydrophobicContact CE2-CD2 4.31Å; Y55-L96 HydrophobicContact CE2-CG 4.48Å; Y55-L97 HydrophobicContact CD1-CD1 3.84Å; Y55-L97 HydrophobicContact CE1-CB 3.99Å; Y55-L97 HydrophobicContact CE1-CD1 3.71Å; Y55-L97 HydrophobicContact CE1-CD2 4.06Å; Y55-L97 HydrophobicContact CE1-CG 4.12Å; Y55-L97 HydrophobicContact CE2-CB 3.99Å; Y55-L100 HydrophobicContact CD2-CD1 4.38Å; Y55-L100 HydrophobicContact CG-CD1 4.29Å
56I98Very high96.7Very high91 Ų9137.2 Ų37.247%0.46720%0.196SC..Hα-helixtrans-58-51.2179.6-68.8165000109.5I52 M53 F58 E59 T60I52-I56 WeakPolarHBondContact O-CG1 3.37Å; I52-I56 PolarHBondContact O-N 3.47Å; M53-I56 PolarHBondContact O-N 3.26Å; I56-F58 VanDerWaalsContact C-N 3.32Å; I56-F58 PolarHBondContact O-N 3.41Å; I56-E59 PolarHBondContact O-N 3.02Å; I56-T60 HydrophobicContact CG2-CG2 4.16Å; I56-T60 WeakPolarHBondContact O-CG2 3.44Å; I56-T60 PolarHBondContact O-N 3.47Å
57F97.9Very high96.7Very high51 Ų5137.7 Ų37.722%0.22420%0.202CC..Hα-helixtrans-65.7-37.3179.4-69.6-53.9000112.1M44 T45 M53 F54 Y55 E59 T60 T61M44-F57 HydrophobicContact CB-CB 4.48Å; M44-F57 HydrophobicContact CB-CD1 3.88Å; M44-F57 HydrophobicContact CB-CD2 3.64Å; M44-F57 HydrophobicContact CB-CE1 3.94Å; M44-F57 HydrophobicContact CB-CE2 3.68Å; M44-F57 HydrophobicContact CB-CG 3.75Å; M44-F57 HydrophobicContact CB-CZ 3.84Å; M44-F57 HydrophobicContact CE-CE2 3.84Å; M44-F57 HydrophobicContact CE-CZ 3.8Å; M44-F57 HydrophobicContact CG-CE1 4.28Å; M44-F57 HydrophobicContact CG-CE2 4.39Å; M44-F57 HydrophobicContact CG-CZ 4.16Å; T45-F57 HydrophobicContact CG2-CB 3.43Å; T45-F57 VanDerWaalsContact CG2-CB 3.43Å; M53-F57 HydrophobicContact CG-CD2 3.64Å; M53-F57 HydrophobicContact CG-CE2 3.33Å; M53-F57 HydrophobicContact CG-CZ 4.41Å; M53-F57 WeakPolarHBondContact O-CD2 3.49Å; M53-F57 PolarHBondContact O-N 3.22Å; M53-F57 HydrophobicContact SD-CE2 3.84Å; F54-F57 PolarHBondContact O-N 2.79Å; Y55-F57 PolarHBondContact O-N 3.4Å; F57-E59 VanDerWaalsContact C-N 3.35Å; F57-E59 PolarHBondContact O-N 3.23Å; F57-T60 VanDerWaalsContact CA-OG1 3.3Å; F57-T60 WeakPolarHBondContact CA-OG1 3.41Å; F57-T60 PolarHBondContact O-N 3.03Å; F57-T60 VanDerWaalsContact O-N 3.17Å; F57-T60 PolarHBondContact O-OG1 2.82Å; F57-T61 WeakPolarHBondContact O-CG2 3.46Å; F57-T61 PolarHBondContact O-N 3.19Å
58F96.6Very high96.7Very high1 Ų134.6 Ų34.60%0.00418%0.183CC..Hα-helixtrans-58.2-45.9177.1166.5-94.5000111.6T45 F54 Y55 I56 T61 F139 K142 L174T45-F58 HydrophobicContact CG2-CB 4.44Å; F54-F58 HydrophobicContact CZ-CD2 4.41Å; F54-F58 WeakPolarHBondContact O-CB 3.37Å; F54-F58 PolarHBondContact O-N 3.02Å; Y55-F58 WeakPolarHBondContact O-CB 3.31Å; Y55-F58 PolarHBondContact O-N 2.96Å; I56-F58 VanDerWaalsContact C-N 3.32Å; I56-F58 PolarHBondContact O-N 3.41Å; F58-T61 PolarHBondContact O-OG1 3.11Å; F58-F139 HydrophobicContact CE2-CD1 4.33Å; F58-F139 HydrophobicContact CE2-CE1 4.24Å; F58-F139 HydrophobicContact CZ-CD1 4.43Å; F58-F139 HydrophobicContact CZ-CE1 4.36Å; F58-K142 HydrophobicContact CE2-CD 4.25Å; F58-K142 HydrophobicContact CE2-CG 3.72Å; F58-K142 HydrophobicContact CZ-CD 4.14Å; F58-K142 HydrophobicContact CZ-CG 3.46Å; F58-K142 VanDerWaalsContact CZ-CG 3.46Å; F58-L174 HydrophobicContact CD2-CB 4.09Å; F58-L174 HydrophobicContact CD2-CD1 4.29Å; F58-L174 HydrophobicContact CE2-CB 4.14Å
59E96.8Very high96.7Very high25 Ų2534.5 Ų34.512%0.11718%0.182CC..Hα-helixtrans-71.1-36.6174.8-72.8-58.5134.200112.2Y55 I56 F57 T61 L62 L90 S93Y55-E59 HydrophobicContact CD2-CG 4.48Å; Y55-E59 HydrophobicContact CE1-CG 3.99Å; Y55-E59 HydrophobicContact CE2-CG 3.93Å; Y55-E59 PolarHBondContact O-N 2.98Å; I56-E59 PolarHBondContact O-N 3.02Å; F57-E59 VanDerWaalsContact C-N 3.35Å; F57-E59 PolarHBondContact O-N 3.23Å; E59-T61 PolarHBondContact O-N 2.98Å; E59-T61 VanDerWaalsContact O-N 3.12Å; E59-L62 WeakPolarHBondContact O-CB 3.41Å; E59-L62 WeakPolarHBondContact O-CG 3.45Å; E59-L62 PolarHBondContact O-N 3.42Å; E59-L62 WeakPolarHBondContact OE2-CD1 3.12Å; E59-L90 WeakPolarHBondContact OE2-CD2 3.3Å; E59-S93 WeakPolarHBondContact OE1-CB 3.5Å; E59-S93 PolarHBondContact OE1-OG 3.13Å
60T97.1Very high96.8Very high47 Ų4732.4 Ų32.429%0.28817%0.169SC..Hα-helixtrans-60.4-27.4178.567.80000112.7S41 I56 F57 L62 I63 P64S41-T60 WeakPolarHBondContact CB-OG1 3.23Å; I56-T60 HydrophobicContact CG2-CG2 4.16Å; I56-T60 WeakPolarHBondContact O-CG2 3.44Å; I56-T60 PolarHBondContact O-N 3.47Å; F57-T60 VanDerWaalsContact CA-OG1 3.3Å; F57-T60 WeakPolarHBondContact CA-OG1 3.41Å; F57-T60 PolarHBondContact O-N 3.03Å; F57-T60 VanDerWaalsContact O-N 3.17Å; F57-T60 PolarHBondContact O-OG1 2.82Å; T60-L62 PolarHBondContact O-N 3.27Å; T60-I63 PolarHBondContact O-N 3.31Å; T60-P64 WeakPolarHBondContact O-CD 3.02Å
61T97.4Very high96.9Very high0 Ų035.9 Ų35.90%018%0.18CC..THydrogen-bonded Turntrans-62.3-22.3175.167.60000113.1L42 T45 F57 F58 E59 I63 T65 L174L42-T61 HydrophobicContact CD2-CG2 3.77Å; L42-T61 HydrophobicContact CG-CG2 4.08Å; T45-T61 HydrophobicContact CG2-CG2 4.17Å; F57-T61 WeakPolarHBondContact O-CG2 3.46Å; F57-T61 PolarHBondContact O-N 3.19Å; F58-T61 PolarHBondContact O-OG1 3.11Å; E59-T61 PolarHBondContact O-N 2.98Å; E59-T61 VanDerWaalsContact O-N 3.12Å; T61-I63 VanDerWaalsContact C-N 3.35Å; T61-T65 WeakPolarHBondContact O-CG2 3.36Å; T61-T65 PolarHBondContact O-N 2.91Å; T61-T65 PolarHBondContact O-OG1 2.87Å; T61-L174 HydrophobicContact CG2-CD1 4.24Å
62L96.4Very high96.9Very high12 Ų1236.8 Ų36.86%0.06318%0.183CC..Hα-helixtrans-66.4-35.5176.8-67.3179.7000112.5E59 T60 T65 L66 F85 T89 L90E59-L62 WeakPolarHBondContact O-CB 3.41Å; E59-L62 WeakPolarHBondContact O-CG 3.45Å; E59-L62 PolarHBondContact O-N 3.42Å; E59-L62 WeakPolarHBondContact OE2-CD1 3.12Å; T60-L62 PolarHBondContact O-N 3.27Å; L62-T65 VanDerWaalsContact CA-OG1 3.27Å; L62-T65 WeakPolarHBondContact CA-OG1 3.19Å; L62-T65 PolarHBondContact O-N 3.35Å; L62-T65 PolarHBondContact O-OG1 3.3Å; L62-L66 WeakPolarHBondContact O-CB 3.1Å; L62-L66 PolarHBondContact O-N 3.31Å; L62-F85 HydrophobicContact CD2-CD1 4.32Å; L62-F85 HydrophobicContact CD2-CE1 3.48Å; L62-F85 VanDerWaalsContact CD2-CE1 3.48Å; L62-F85 HydrophobicContact CD2-CE2 4.21Å; L62-F85 HydrophobicContact CD2-CZ 3.43Å; L62-F85 VanDerWaalsContact CD2-CZ 3.43Å; L62-T89 VanDerWaalsContact CD1-OG1 3.23Å; L62-T89 WeakPolarHBondContact CD1-OG1 3.26Å; L62-T89 HydrophobicContact CD2-CG2 4.04Å; L62-T89 WeakPolarHBondContact CD2-OG1 3.05Å; L62-L90 HydrophobicContact CD1-CD2 4.46Å
63I96.6Very high96.7Very high120 Ų12034.3 Ų34.362%0.61517%0.171SC*.Hα-helixtrans-67.3-52.2-172.9-59.8167.9000110.7T60 T61 T65 A67T60-I63 PolarHBondContact O-N 3.31Å; T61-I63 VanDerWaalsContact C-N 3.35Å; I63-T65 VanDerWaalsContact C-N 3.32Å; I63-T65 PolarHBondContact O-N 3.34Å; I63-A67 PolarHBondContact O-N 3.34Å
64P97.1Very high96.4Very high9 Ų933.8 Ų33.86%0.05817%0.17CC..Hα-helixtrans-64.4-37.3177.3-21.333000112.9M34 S37 L38 T60 A67 I68M34-P64 HydrophobicContact CE-CB 4.36Å; S37-P64 WeakPolarHBondContact OG-CG 3.14Å; L38-P64 HydrophobicContact CB-CB 3.89Å; L38-P64 HydrophobicContact CB-CG 4.41Å; L38-P64 HydrophobicContact CD1-CB 4.24Å; T60-P64 WeakPolarHBondContact O-CD 3.02Å; P64-A67 PolarHBondContact O-N 3.01Å; P64-I68 WeakPolarHBondContact O-CD1 3.44Å; P64-I68 WeakPolarHBondContact O-CG1 3.44Å; P64-I68 PolarHBondContact O-N 2.73Å
65T96.8Very high96.2Very high6 Ų636.8 Ų36.84%0.03718%0.184CC..Hα-helixtrans-68.8-44.9-178.847.70000112.6L38 T61 L62 I63 A67 I68 I69 F85 L171L38-T65 HydrophobicContact CD1-CG2 3.43Å; L38-T65 VanDerWaalsContact CD1-CG2 3.43Å; L38-T65 HydrophobicContact CD2-CG2 3.78Å; L38-T65 HydrophobicContact CG-CG2 4.26Å; T61-T65 WeakPolarHBondContact O-CG2 3.36Å; T61-T65 PolarHBondContact O-N 2.91Å; T61-T65 PolarHBondContact O-OG1 2.87Å; L62-T65 VanDerWaalsContact CA-OG1 3.27Å; L62-T65 WeakPolarHBondContact CA-OG1 3.19Å; L62-T65 PolarHBondContact O-N 3.35Å; L62-T65 PolarHBondContact O-OG1 3.3Å; I63-T65 VanDerWaalsContact C-N 3.32Å; I63-T65 PolarHBondContact O-N 3.34Å; T65-A67 VanDerWaalsContact C-N 3.3Å; T65-A67 PolarHBondContact O-N 3.37Å; T65-I68 PolarHBondContact O-N 2.93Å; T65-I69 VanDerWaalsContact O-CG1 3.25Å; T65-I69 WeakPolarHBondContact O-CG1 3.42Å; T65-I69 PolarHBondContact O-N 3.44Å; T65-F85 WeakPolarHBondContact OG1-CE1 3.33Å; T65-L171 HydrophobicContact CG2-CD1 3.26Å; T65-L171 HydrophobicContact CG2-CD2 4.4Å; T65-L171 HydrophobicContact CG2-CG 4.48Å
66L96.9Very high95.8Very high43 Ų4340.6 Ų40.623%0.22521%0.211CC..Hα-helixtrans-57.8-45.7175-176.874.3000111L62 I68 I69 T70 G82 L86L62-L66 WeakPolarHBondContact O-CB 3.1Å; L62-L66 PolarHBondContact O-N 3.31Å; L66-I68 VanDerWaalsContact C-N 3.35Å; L66-I68 PolarHBondContact O-N 3.24Å; L66-I69 PolarHBondContact O-N 3.45Å; L66-T70 HydrophobicContact CD1-CG2 3.94Å; L66-T70 HydrophobicContact CG-CG2 4.21Å; L66-T70 WeakPolarHBondContact O-CB 3.08Å; L66-T70 WeakPolarHBondContact O-CG2 3.46Å; L66-T70 PolarHBondContact O-N 3.36Å; L66-T70 PolarHBondContact O-OG1 3.24Å; L66-G82 WeakPolarHBondContact CD1-O 3.32Å; L66-L86 HydrophobicContact CD1-CB 4.29Å; L66-L86 HydrophobicContact CD2-CD1 3.64Å
67A97.1Very high95.6Very high25 Ų2541.1 Ų41.121%0.20721%0.211CC..Hα-helixtrans-61.9-42.7177.200000111.7M34 I63 P64 T65 I69 R71M34-A67 HydrophobicContact CE-CB 3.24Å; I63-A67 PolarHBondContact O-N 3.34Å; P64-A67 PolarHBondContact O-N 3.01Å; T65-A67 VanDerWaalsContact C-N 3.3Å; T65-A67 PolarHBondContact O-N 3.37Å; A67-I69 PolarHBondContact O-N 2.79Å; A67-R71 WeakPolarHBondContact O-CB 3.41Å; A67-R71 PolarHBondContact O-N 2.86Å
68I97.1Very high95.5Very high1 Ų142.1 Ų42.11%0.00521%0.214CC..Hα-helixtrans-59.7-47.1176.8-70.8162.5000111.3Y31 M34 L35 L38 P64 T65 L66 W72 P160Y31-I68 HydrophobicContact CE2-CG2 4.15Å; M34-I68 HydrophobicContact CB-CD1 4.22Å; M34-I68 HydrophobicContact CB-CG1 4.07Å; L35-I68 HydrophobicContact CD2-CD1 3.73Å; L35-I68 HydrophobicContact CG-CD1 4.35Å; L38-I68 HydrophobicContact CD2-CD1 4.29Å; P64-I68 WeakPolarHBondContact O-CD1 3.44Å; P64-I68 WeakPolarHBondContact O-CG1 3.44Å; P64-I68 PolarHBondContact O-N 2.73Å; T65-I68 PolarHBondContact O-N 2.93Å; L66-I68 VanDerWaalsContact C-N 3.35Å; L66-I68 PolarHBondContact O-N 3.24Å; I68-W72 PolarHBondContact O-N 3Å; I68-P160 HydrophobicContact CG2-CG 3.57Å
69I96.3Very high95.4Very high1 Ų147.3 Ų47.31%0.00524%0.241CC..Hα-helixtrans-67-54-178-62163.1000110.8T65 L66 A67 R71 G73 F85 A159 L167T65-I69 VanDerWaalsContact O-CG1 3.25Å; T65-I69 WeakPolarHBondContact O-CG1 3.42Å; T65-I69 PolarHBondContact O-N 3.44Å; L66-I69 PolarHBondContact O-N 3.45Å; A67-I69 PolarHBondContact O-N 2.79Å; I69-R71 PolarHBondContact O-N 3.09Å; I69-G73 WeakPolarHBondContact O-CA 3.49Å; I69-G73 PolarHBondContact O-N 3.08Å; I69-F85 HydrophobicContact CD1-CD1 4.25Å; I69-A159 HydrophobicContact CG1-CB 4.06Å; I69-L167 HydrophobicContact CD1-CD1 4.04Å; I69-L167 HydrophobicContact CG1-CD1 4.4Å
70T96.8Very high95.4Very high33 Ų3350 Ų5020%0.20226%0.256CS..Hα-helixtrans-72.9-28.1-171.357.10000113.3L66 R78 L79L66-T70 HydrophobicContact CD1-CG2 3.94Å; L66-T70 HydrophobicContact CG-CG2 4.21Å; L66-T70 WeakPolarHBondContact O-CB 3.08Å; L66-T70 WeakPolarHBondContact O-CG2 3.46Å; L66-T70 PolarHBondContact O-N 3.36Å; L66-T70 PolarHBondContact O-OG1 3.24Å; T70-R78 VanDerWaalsContact O-CD 3.32Å; T70-R78 WeakPolarHBondContact O-CD 3.4Å; T70-R78 VanDerWaalsContact O-CZ 3.3Å; T70-R78 PolarHBondContact O-NE 3Å; T70-R78 VanDerWaalsContact O-NE 3.07Å; T70-L79 HydrophobicContact CG2-CD2 4.41Å
71R95.8Very high95.3Very high131 Ų13147.9 Ų47.949%0.49424%0.243SC..Hα-helixtrans-94-41.1-176.8-176.162.5175.6-1770113.8A67 I69 R78A67-R71 WeakPolarHBondContact O-CB 3.41Å; A67-R71 PolarHBondContact O-N 2.86Å; I69-R71 PolarHBondContact O-N 3.09Å; R71-R78 PolarHBondContact O-NH1 3.39Å
72W96Very high95.2Very high21 Ų2148 Ų488%0.0824%0.244CC..Hα-helixtrans-112.68.8-175.4-65.2-89000113.8L20 L30 Y31 M34 I68 P160L20-W72 HydrophobicContact CD2-CG 4.47Å; L30-W72 HydrophobicContact CB-CH2 4.38Å; L30-W72 HydrophobicContact CB-CZ2 4.34Å; Y31-W72 HydrophobicContact CD2-CB 4.36Å; Y31-W72 AromaticContact CD2-CD2 3.46Å; Y31-W72 HydrophobicContact CD2-CD2 3.46Å; Y31-W72 VanDerWaalsContact CD2-CD2 3.46Å; Y31-W72 AromaticContact CD2-CE2 3.66Å; Y31-W72 AromaticContact CD2-CE3 3.73Å; Y31-W72 HydrophobicContact CD2-CE3 3.73Å; Y31-W72 AromaticContact CD2-CG 3.77Å; Y31-W72 HydrophobicContact CD2-CG 3.77Å; Y31-W72 HydrophobicContact CD2-CH2 4.3Å; Y31-W72 HydrophobicContact CD2-CZ2 4.09Å; Y31-W72 HydrophobicContact CD2-CZ3 4.14Å; Y31-W72 HydrophobicContact CE2-CB 4.14Å; Y31-W72 HydrophobicContact CE2-CD2 4.1Å; Y31-W72 HydrophobicContact CE2-CE3 4.31Å; Y31-W72 HydrophobicContact CE2-CG 4.05Å; Y31-W72 HydrophobicContact CG-CD2 4.45Å; Y31-W72 HydrophobicContact CG-CZ2 4.41Å; M34-W72 HydrophobicContact CG-CH2 4.42Å; I68-W72 PolarHBondContact O-N 3Å; W72-P160 HydrophobicContact CB-CB 4.47Å; W72-P160 HydrophobicContact CB-CG 4.1Å; W72-P160 WeakPolarHBondContact O-CB 3.37Å
73G93.6Very high95.1Very high3 Ų350.4 Ų50.43%0.03126%0.26CS..  trans-67.7150.5166.100000111.9I69 R78 E158I69-G73 WeakPolarHBondContact O-CA 3.49Å; I69-G73 PolarHBondContact O-N 3.08Å; G73-R78 WeakPolarHBondContact O-CD 3.41Å; G73-R78 PolarHBondContact O-NH1 2.73Å; G73-E158 WeakPolarHBondContact CA-O 3.4Å
74N90.1Very high95.1Very high67 Ų6748.4 Ų48.436%0.35825%0.245SC..SBendtrans-82.2-40.6-172.4-73.7-19.2000114.1H19 Y270H19-N74 PolarHBondContact CE1-OD1 2.87Å; H19-N74 PolarHBondContact NE2-OD1 2.97Å; N74-Y270 WeakPolarHBondContact ND2-CE1 3.36Å; N74-Y270 PolarHBondContact ND2-OH 2.96Å
75Q92.2Very high95Very high69 Ų6948 Ų4832%0.32224%0.242SC..SBendtrans-96.1159.1-173.6-51.8-70-13.100112.1E77 R78 E158Q75-E77 WeakPolarHBondContact CB-OE2 3.42Å; Q75-E77 PolarHBondContact O-N 3.4Å; Q75-R78 WeakPolarHBondContact O-CB 3.49Å; Q75-R78 VanDerWaalsContact O-CD 3.3Å; Q75-R78 WeakPolarHBondContact O-CD 3.23Å; Q75-R78 WeakPolarHBondContact O-CG 3.47Å; Q75-R78 PolarHBondContact O-N 2.99Å; Q75-E158 WeakPolarHBondContact CB-OE2 3.47Å; Q75-E158 WeakPolarHBondContact CG-OE2 3.3Å
76P89.9Confident95Very high97 Ų9750 Ų5063%0.6325%0.253SS*.THydrogen-bonded Turntrans-60.3-28.9176.424.5-36.2000113.7R78 L79P76-R78 PolarHBondContact O-N 3.48Å; P76-L79 PolarHBondContact O-N 2.93Å
77E93.6Very high95Very high101 Ų10153.9 Ų53.947%0.47227%0.268SS..THydrogen-bonded Turntrans-63.7-10.3179.5-62.686179.100113.5Q75 L79 N80 A81 E158Q75-E77 WeakPolarHBondContact CB-OE2 3.42Å; Q75-E77 PolarHBondContact O-N 3.4Å; E77-L79 PolarHBondContact O-N 3.2Å; E77-L79 VanDerWaalsContact O-N 3.16Å; E77-N80 WeakPolarHBondContact O-CA 3.42Å; E77-N80 WeakPolarHBondContact O-CB 3.22Å; E77-N80 PolarHBondContact O-N 3Å; E77-A81 PolarHBondContact O-N 3.4Å; E77-E158 HydrophobicContact CB-CG 4.2Å
78R94.9Very high94.9Very high72 Ų7255.6 Ų55.627%0.27227%0.269SS..Hα-helixtrans-53.7-33.3175.972.3-170.6179.3167.56.3114T70 R71 G73 Q75 P76 G82 E158T70-R78 VanDerWaalsContact O-CD 3.32Å; T70-R78 WeakPolarHBondContact O-CD 3.4Å; T70-R78 VanDerWaalsContact O-CZ 3.3Å; T70-R78 PolarHBondContact O-NE 3Å; T70-R78 VanDerWaalsContact O-NE 3.07Å; R71-R78 PolarHBondContact O-NH1 3.39Å; G73-R78 WeakPolarHBondContact O-CD 3.41Å; G73-R78 PolarHBondContact O-NH1 2.73Å; Q75-R78 WeakPolarHBondContact O-CB 3.49Å; Q75-R78 VanDerWaalsContact O-CD 3.3Å; Q75-R78 WeakPolarHBondContact O-CD 3.23Å; Q75-R78 WeakPolarHBondContact O-CG 3.47Å; Q75-R78 PolarHBondContact O-N 2.99Å; P76-R78 PolarHBondContact O-N 3.48Å; R78-G82 PolarHBondContact O-N 3.22Å; R78-E158 HydrophobicContact CB-CB 4.2Å
79L95Very high94.9Very high111 Ų11155.7 Ų55.758%0.58127%0.27SS*.Hα-helixtrans-68.4-46.9176.7-67178.5000110.3T70 P76 E77 G82 T83T70-L79 HydrophobicContact CG2-CD2 4.41Å; P76-L79 PolarHBondContact O-N 2.93Å; E77-L79 PolarHBondContact O-N 3.2Å; E77-L79 VanDerWaalsContact O-N 3.16Å; L79-G82 PolarHBondContact O-N 2.63Å; L79-T83 WeakPolarHBondContact O-CG2 3.44Å; L79-T83 PolarHBondContact O-N 3.23Å
80N96.2Very high94.9Very high82 Ų8258.2 Ų58.244%0.43928%0.283SS..Hα-helixtrans-62-47.7176.6-163.55000110.5E77 G82 T83 Y84E77-N80 WeakPolarHBondContact O-CA 3.42Å; E77-N80 WeakPolarHBondContact O-CB 3.22Å; E77-N80 PolarHBondContact O-N 3Å; N80-G82 VanDerWaalsContact C-N 3.29Å; N80-G82 PolarHBondContact O-N 3.3Å; N80-T83 PolarHBondContact O-N 2.93Å; N80-T83 PolarHBondContact O-OG1 3.44Å; N80-Y84 VanDerWaalsContact O-CD2 3.31Å; N80-Y84 WeakPolarHBondContact O-CD2 3.47Å; N80-Y84 PolarHBondContact O-N 2.99Å; N80-Y84 WeakPolarHBondContact OD1-CD2 3.24Å; N80-Y84 WeakPolarHBondContact OD1-CE2 3.23Å
81A95.5Very high94.8Very high2 Ų261.7 Ų61.72%0.01730%0.304CS..Hα-helixtrans-56.1-41.9175.100000112.5E77 Y84 F85 K154 E158E77-A81 PolarHBondContact O-N 3.4Å; A81-Y84 PolarHBondContact O-N 3.25Å; A81-F85 WeakPolarHBondContact O-CB 3.15Å; A81-F85 PolarHBondContact O-N 3.49Å; A81-K154 HydrophobicContact CB-CB 4Å; A81-E158 HydrophobicContact CB-CB 4.07Å; A81-E158 HydrophobicContact CB-CG 4.22Å
82G95.5Very high94.8Very high1 Ų155.8 Ų55.81%0.0128%0.284CS..Hα-helixtrans-60.9-42.7173.400000113.1L66 R78 L79 N80 F85 L86L66-G82 WeakPolarHBondContact CD1-O 3.32Å; R78-G82 PolarHBondContact O-N 3.22Å; L79-G82 PolarHBondContact O-N 2.63Å; N80-G82 VanDerWaalsContact C-N 3.29Å; N80-G82 PolarHBondContact O-N 3.3Å; G82-F85 PolarHBondContact O-N 2.93Å; G82-L86 WeakPolarHBondContact O-CB 3.45Å; G82-L86 PolarHBondContact O-N 2.93Å
83T95.4Very high94.7Very high64 Ų6454.8 Ų54.839%0.39328%0.28SS..Hα-helixtrans-65.2-42.6176.360.50000112.6L79 N80 F85 L86 F87L79-T83 WeakPolarHBondContact O-CG2 3.44Å; L79-T83 PolarHBondContact O-N 3.23Å; N80-T83 PolarHBondContact O-N 2.93Å; N80-T83 PolarHBondContact O-OG1 3.44Å; T83-F85 PolarHBondContact O-N 2.95Å; T83-L86 PolarHBondContact O-N 2.69Å; T83-F87 VanDerWaalsContact O-CD2 3.28Å; T83-F87 WeakPolarHBondContact O-CD2 3.5Å; T83-F87 PolarHBondContact O-N 3.33Å
84Y95.2Very high94.8Very high78 Ų7859 Ų5931%0.30630%0.302SS..Hα-helixtrans-59-48.6173.9-85.9-84.5000111.1N80 A81 L86 Y88 K154N80-Y84 VanDerWaalsContact O-CD2 3.31Å; N80-Y84 WeakPolarHBondContact O-CD2 3.47Å; N80-Y84 PolarHBondContact O-N 2.99Å; N80-Y84 WeakPolarHBondContact OD1-CD2 3.24Å; N80-Y84 WeakPolarHBondContact OD1-CE2 3.23Å; A81-Y84 PolarHBondContact O-N 3.25Å; Y84-L86 PolarHBondContact O-N 3.12Å; Y84-Y88 HydrophobicContact CD1-CD2 4.28Å; Y84-Y88 AromaticContact CD1-CE2 3.68Å; Y84-Y88 HydrophobicContact CD1-CE2 3.68Å; Y84-Y88 HydrophobicContact CE1-CE2 4.28Å; Y84-Y88 VanDerWaalsContact O-CB 3.3Å; Y84-Y88 WeakPolarHBondContact O-CB 3.26Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.38Å; Y84-Y88 PolarHBondContact O-N 2.97Å; Y84-Y88 VanDerWaalsContact O-N 3.11Å; Y84-K154 HydrophobicContact CD2-CD 4Å; Y84-K154 HydrophobicContact CE2-CD 4.28Å; Y84-K154 HydrophobicContact CG-CD 4.32Å; Y84-K154 PolarHBondContact OH-NZ 2.99Å
85F95.4Very high95.2Very high1 Ų158.2 Ų58.20%0.00430%0.3CS..Hα-helixtrans-58-49.3179175.2-115.2000111.9L62 T65 I69 A81 G82 T83 T89 W151 L167L62-F85 HydrophobicContact CD2-CD1 4.32Å; L62-F85 HydrophobicContact CD2-CE1 3.48Å; L62-F85 VanDerWaalsContact CD2-CE1 3.48Å; L62-F85 HydrophobicContact CD2-CE2 4.21Å; L62-F85 HydrophobicContact CD2-CZ 3.43Å; L62-F85 VanDerWaalsContact CD2-CZ 3.43Å; T65-F85 WeakPolarHBondContact OG1-CE1 3.33Å; I69-F85 HydrophobicContact CD1-CD1 4.25Å; A81-F85 WeakPolarHBondContact O-CB 3.15Å; A81-F85 PolarHBondContact O-N 3.49Å; G82-F85 PolarHBondContact O-N 2.93Å; T83-F85 PolarHBondContact O-N 2.95Å; F85-T89 HydrophobicContact CE2-CG2 4.39Å; F85-T89 WeakPolarHBondContact O-CG2 3.45Å; F85-T89 PolarHBondContact O-N 3.5Å; F85-T89 PolarHBondContact O-OG1 3.49Å; F85-W151 HydrophobicContact CD2-CD2 4.31Å; F85-W151 AromaticContact CD2-CE3 3.5Å; F85-W151 HydrophobicContact CD2-CE3 3.5Å; F85-W151 HydrophobicContact CD2-CH2 4.26Å; F85-W151 AromaticContact CD2-CZ3 3.47Å; F85-W151 HydrophobicContact CD2-CZ3 3.47Å; F85-W151 VanDerWaalsContact CD2-CZ3 3.47Å; F85-W151 HydrophobicContact CE2-CE3 4.2Å; F85-W151 HydrophobicContact CE2-CH2 4.15Å; F85-W151 AromaticContact CE2-CZ3 3.69Å; F85-W151 HydrophobicContact CE2-CZ3 3.69Å; F85-W151 HydrophobicContact CG-CE3 4.48Å; F85-L167 HydrophobicContact CE2-CD2 4.03Å; F85-L167 HydrophobicContact CZ-CD2 4.15Å
86L96.4Very high95.4Very high48 Ų4855 Ų5525%0.25129%0.285SS..Hα-helixtrans-65.6-49.2-177.8176.4142.9000112.7L66 G82 T83 Y84 T89 L90L66-L86 HydrophobicContact CD1-CB 4.29Å; L66-L86 HydrophobicContact CD2-CD1 3.64Å; G82-L86 WeakPolarHBondContact O-CB 3.45Å; G82-L86 PolarHBondContact O-N 2.93Å; T83-L86 PolarHBondContact O-N 2.69Å; Y84-L86 PolarHBondContact O-N 3.12Å; L86-T89 PolarHBondContact O-N 2.73Å; L86-T89 PolarHBondContact O-OG1 3.38Å; L86-L90 HydrophobicContact CD1-CD1 4.43Å; L86-L90 HydrophobicContact CD2-CD1 3.51Å; L86-L90 HydrophobicContact CG-CD1 3.74Å; L86-L90 HydrophobicContact CG-CG 4.4Å; L86-L90 WeakPolarHBondContact O-CB 3.49Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 3.15Å
87F97Very high95.7Very high124 Ų12452.6 Ų52.654%0.54427%0.267SS..Hα-helixtrans-73.3-36-173.4-78.7-65.2000112.6T83 T89 V91T83-F87 VanDerWaalsContact O-CD2 3.28Å; T83-F87 WeakPolarHBondContact O-CD2 3.5Å; T83-F87 PolarHBondContact O-N 3.33Å; F87-T89 VanDerWaalsContact C-N 3.3Å; F87-T89 PolarHBondContact O-N 2.92Å; F87-V91 VanDerWaalsContact O-CB 3.32Å; F87-V91 WeakPolarHBondContact O-CB 3.33Å; F87-V91 WeakPolarHBondContact O-CG2 3.31Å; F87-V91 PolarHBondContact O-N 3.38Å
88Y96.1Very high95.9Very high61 Ų6153.5 Ų53.524%0.23927%0.273CS..Hα-helixtrans-58-48.7173.1-89-115.3000110Y84 G92 V141 L148 W151Y84-Y88 HydrophobicContact CD1-CD2 4.28Å; Y84-Y88 AromaticContact CD1-CE2 3.68Å; Y84-Y88 HydrophobicContact CD1-CE2 3.68Å; Y84-Y88 HydrophobicContact CE1-CE2 4.28Å; Y84-Y88 VanDerWaalsContact O-CB 3.3Å; Y84-Y88 WeakPolarHBondContact O-CB 3.26Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.38Å; Y84-Y88 PolarHBondContact O-N 2.97Å; Y84-Y88 VanDerWaalsContact O-N 3.11Å; Y88-G92 PolarHBondContact O-N 2.96Å; Y88-V141 HydrophobicContact CD1-CG1 4.36Å; Y88-V141 WeakPolarHBondContact O-CG1 3.37Å; Y88-L148 WeakPolarHBondContact CD1-O 3.43Å; Y88-L148 WeakPolarHBondContact CE1-O 3.33Å; Y88-W151 HydrophobicContact CD1-CB 4.5Å; Y88-W151 AromaticContact CD1-CD1 3.56Å; Y88-W151 HydrophobicContact CD1-CG 4.37Å; Y88-W151 HydrophobicContact CG-CB 4.26Å; Y88-W151 AromaticContact CG-CD1 3.91Å; Y88-W151 HydrophobicContact CG-CG 4.37Å
89T95.5Very high95.9Very high2 Ų250.2 Ų50.21%0.01226%0.262CS..Hα-helixtrans-67.9-44.6-176.6540000112.4L62 F85 L86 F87 G92 S93 V141 K142L62-T89 VanDerWaalsContact CD1-OG1 3.23Å; L62-T89 WeakPolarHBondContact CD1-OG1 3.26Å; L62-T89 HydrophobicContact CD2-CG2 4.04Å; L62-T89 WeakPolarHBondContact CD2-OG1 3.05Å; F85-T89 HydrophobicContact CE2-CG2 4.39Å; F85-T89 WeakPolarHBondContact O-CG2 3.45Å; F85-T89 PolarHBondContact O-N 3.5Å; F85-T89 PolarHBondContact O-OG1 3.49Å; L86-T89 PolarHBondContact O-N 2.73Å; L86-T89 PolarHBondContact O-OG1 3.38Å; F87-T89 VanDerWaalsContact C-N 3.3Å; F87-T89 PolarHBondContact O-N 2.92Å; T89-G92 PolarHBondContact O-N 3.2Å; T89-S93 VanDerWaalsContact O-CB 3.23Å; T89-S93 WeakPolarHBondContact O-CB 3.41Å; T89-S93 PolarHBondContact O-N 2.93Å; T89-S93 PolarHBondContact O-OG 3.46Å; T89-V141 HydrophobicContact CG2-CG1 4.37Å; T89-K142 HydrophobicContact CG2-CD 3.78Å; T89-K142 VanDerWaalsContact CG2-CE 3.48Å; T89-K142 HydrophobicContact CG2-CG 4.45Å
90L96.1Very high96Very high55 Ų5545 Ų4529%0.28824%0.235SC..Hα-helixtrans-66.5-41.9-179-73.4176.2000112.8E59 L62 L86 G92 S93 L94E59-L90 WeakPolarHBondContact OE2-CD2 3.3Å; L62-L90 HydrophobicContact CD1-CD2 4.46Å; L86-L90 HydrophobicContact CD1-CD1 4.43Å; L86-L90 HydrophobicContact CD2-CD1 3.51Å; L86-L90 HydrophobicContact CG-CD1 3.74Å; L86-L90 HydrophobicContact CG-CG 4.4Å; L86-L90 WeakPolarHBondContact O-CB 3.49Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 3.15Å; L90-G92 VanDerWaalsContact C-N 3.27Å; L90-G92 PolarHBondContact O-N 3.42Å; L90-S93 WeakPolarHBondContact CA-OG 3.24Å; L90-S93 PolarHBondContact O-N 3.49Å; L90-S93 PolarHBondContact O-OG 3.36Å; L90-L94 VanDerWaalsContact O-CG 3.32Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 2.73Å
91V96.2Very high96Very high106 Ų10645 Ų4564%0.64223%0.233SC*.Hα-helixtrans-64.5-36.8178172.70000110.7F87 P95F87-V91 VanDerWaalsContact O-CB 3.32Å; F87-V91 WeakPolarHBondContact O-CB 3.33Å; F87-V91 WeakPolarHBondContact O-CG2 3.31Å; F87-V91 PolarHBondContact O-N 3.38Å; V91-P95 WeakPolarHBondContact O-CD 3.09Å
92G94.1Very high96Very high7 Ų751 Ų517%0.07226%0.256CS..Hα-helixtrans-71.3-35.8174.500000113.6Y88 T89 L90 A138Y88-G92 PolarHBondContact O-N 2.96Å; T89-G92 PolarHBondContact O-N 3.2Å; L90-G92 VanDerWaalsContact C-N 3.27Å; L90-G92 PolarHBondContact O-N 3.42Å; G92-A138 WeakPolarHBondContact O-CA 3.33Å; G92-A138 WeakPolarHBondContact O-CB 3.43Å; G92-A138 PolarHBondContact O-N 2.6Å
93S95.6Very high95.8Very high0 Ų051.3 Ų51.30%026%0.258CS..Hα-helixtrans-90.9-26.8-169.769.70000115.3Y55 E59 T89 L90 L96 L97Y55-S93 VanDerWaalsContact CE2-O 3.31Å; Y55-S93 WeakPolarHBondContact CE2-O 3.38Å; E59-S93 WeakPolarHBondContact OE1-CB 3.5Å; E59-S93 PolarHBondContact OE1-OG 3.13Å; T89-S93 VanDerWaalsContact O-CB 3.23Å; T89-S93 WeakPolarHBondContact O-CB 3.41Å; T89-S93 PolarHBondContact O-N 2.93Å; T89-S93 PolarHBondContact O-OG 3.46Å; L90-S93 WeakPolarHBondContact CA-OG 3.24Å; L90-S93 PolarHBondContact O-N 3.49Å; L90-S93 PolarHBondContact O-OG 3.36Å; S93-L96 WeakPolarHBondContact O-CA 3.45Å; S93-L96 VanDerWaalsContact O-CB 3.28Å; S93-L96 WeakPolarHBondContact O-CB 3.43Å; S93-L96 PolarHBondContact O-N 2.98Å; S93-L97 PolarHBondContact O-N 2.87Å
94L95.9Very high95.7Very high92 Ų9252.4 Ų52.448%0.48226%0.259SS..Hα-helixtrans-60.6-41.8175.2-71.6170.9000113.2L90 L96 L97 I98L90-L94 VanDerWaalsContact O-CG 3.32Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 2.73Å; L94-L96 VanDerWaalsContact C-N 3.28Å; L94-L96 PolarHBondContact O-N 3.47Å; L94-L97 WeakPolarHBondContact O-CB 3.48Å; L94-L97 PolarHBondContact O-N 3.07Å; L94-I98 PolarHBondContact O-N 3.5Å
95P96.9Very high95.7Very high49 Ų4954.5 Ų54.532%0.31828%0.275SS..Hα-helixtrans-58.8-38.5170.4-25.935.3000113.2V91 L97 I98 A99 A134V91-P95 WeakPolarHBondContact O-CD 3.09Å; P95-L97 VanDerWaalsContact C-N 3.32Å; P95-L97 PolarHBondContact O-N 3.08Å; P95-I98 PolarHBondContact O-N 3.29Å; P95-A99 WeakPolarHBondContact O-CB 3.41Å; P95-A99 PolarHBondContact O-N 3.01Å; P95-A134 HydrophobicContact CB-CB 3.98Å
96L96.6Very high95.5Very high1 Ų157.8 Ų57.81%0.00530%0.295CS..Hα-helixtrans-61.3-40.6175.9169.669.1000111.2Y55 S93 L94 A99 L100 A134 Y135 A138 F139 L182Y55-L96 HydrophobicContact CD2-CD2 3.85Å; Y55-L96 HydrophobicContact CD2-CG 4.13Å; Y55-L96 HydrophobicContact CE2-CD2 4.31Å; Y55-L96 HydrophobicContact CE2-CG 4.48Å; S93-L96 WeakPolarHBondContact O-CA 3.45Å; S93-L96 VanDerWaalsContact O-CB 3.28Å; S93-L96 WeakPolarHBondContact O-CB 3.43Å; S93-L96 PolarHBondContact O-N 2.98Å; L94-L96 VanDerWaalsContact C-N 3.28Å; L94-L96 PolarHBondContact O-N 3.47Å; L96-A99 PolarHBondContact O-N 3.35Å; L96-L100 HydrophobicContact CD1-CD1 4.11Å; L96-L100 HydrophobicContact CD1-CG 4.08Å; L96-L100 HydrophobicContact CG-CD1 4.06Å; L96-L100 HydrophobicContact CG-CG 4.42Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.46Å; L96-A134 WeakPolarHBondContact CA-O 2.76Å; L96-A134 WeakPolarHBondContact CB-O 3.5Å; L96-A134 PolarHBondContact N-O 2.98Å; L96-Y135 HydrophobicContact CD1-CD1 3.76Å; L96-A138 HydrophobicContact CB-CB 3.91Å; L96-A138 HydrophobicContact CD2-CB 3.66Å; L96-A138 HydrophobicContact CG-CB 4.39Å; L96-F139 HydrophobicContact CD1-CE2 3.98Å; L96-F139 HydrophobicContact CD1-CZ 4.27Å; L96-F139 HydrophobicContact CD2-CE1 4.24Å; L96-F139 HydrophobicContact CD2-CE2 3.8Å; L96-F139 HydrophobicContact CD2-CZ 3.48Å; L96-F139 VanDerWaalsContact CD2-CZ 3.48Å; L96-L182 HydrophobicContact CD1-CD1 4.04Å
97L97.4Very high95.2Very high48 Ų4857.1 Ų57.125%0.25129%0.292SS..Hα-helixtrans-60.1-47176178.559.8000111.8I52 Y55 S93 L94 P95 A99 L100 I101I52-L97 HydrophobicContact CD1-CD1 3.66Å; Y55-L97 HydrophobicContact CD1-CD1 3.84Å; Y55-L97 HydrophobicContact CE1-CB 3.99Å; Y55-L97 HydrophobicContact CE1-CD1 3.71Å; Y55-L97 HydrophobicContact CE1-CD2 4.06Å; Y55-L97 HydrophobicContact CE1-CG 4.12Å; Y55-L97 HydrophobicContact CE2-CB 3.99Å; S93-L97 PolarHBondContact O-N 2.87Å; L94-L97 WeakPolarHBondContact O-CB 3.48Å; L94-L97 PolarHBondContact O-N 3.07Å; P95-L97 VanDerWaalsContact C-N 3.32Å; P95-L97 PolarHBondContact O-N 3.08Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.43Å; L97-L100 PolarHBondContact O-N 2.87Å; L97-I101 HydrophobicContact CD1-CD1 3.91Å; L97-I101 HydrophobicContact CD1-CG1 4.25Å; L97-I101 HydrophobicContact CG-CD1 3.94Å; L97-I101 WeakPolarHBondContact O-CG1 3.24Å; L97-I101 PolarHBondContact O-N 3.06Å
98I97Very high94.8Very high120 Ų12053.9 Ų53.962%0.61529%0.294SS*.Hα-helixtrans-60.9-45.2179.2-62.9167.3000110L94 P95 L100 I101 Y102L94-I98 PolarHBondContact O-N 3.5Å; P95-I98 PolarHBondContact O-N 3.29Å; I98-L100 PolarHBondContact O-N 3.27Å; I98-I101 PolarHBondContact O-N 3.48Å; I98-Y102 WeakPolarHBondContact O-CB 3.34Å; I98-Y102 PolarHBondContact O-N 3.14Å
99A95.8Very high94.6Very high3 Ų352 Ų523%0.02529%0.289CS..Hα-helixtrans-60.3-44.3176.900000112P95 L96 L97 Y102 T103 M131 A134 Y135P95-A99 WeakPolarHBondContact O-CB 3.41Å; P95-A99 PolarHBondContact O-N 3.01Å; L96-A99 PolarHBondContact O-N 3.35Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.43Å; A99-Y102 WeakPolarHBondContact O-CB 3.3Å; A99-Y102 PolarHBondContact O-N 2.98Å; A99-T103 PolarHBondContact O-N 2.81Å; A99-T103 PolarHBondContact O-OG1 3.44Å; A99-M131 HydrophobicContact CB-SD 3.45Å; A99-M131 WeakPolarHBondContact CB-SD 3.43Å; A99-A134 HydrophobicContact CB-CB 3.91Å; A99-Y135 HydrophobicContact CB-CD1 3.88Å; A99-Y135 HydrophobicContact CB-CE1 3.49Å; A99-Y135 VanDerWaalsContact CB-CE1 3.49Å; A99-Y135 HydrophobicContact CB-CE2 4.23Å; A99-Y135 HydrophobicContact CB-CG 4.32Å; A99-Y135 PolarHBondContact O-OH 3.23Å
100L95.9Very high94.5Very high2 Ų252 Ų521%0.0129%0.289CS..Hα-helixtrans-63-45.6177.9-73.2173.6000112.3L51 I52 Y55 L96 L97 I98 Y102 T103 H104 L110 Y135L51-L100 HydrophobicContact CB-CD2 3.7Å; L51-L100 HydrophobicContact CD1-CD2 4Å; L51-L100 HydrophobicContact CG-CD2 4.46Å; I52-L100 HydrophobicContact CD1-CB 4.24Å; Y55-L100 HydrophobicContact CD2-CD1 4.38Å; Y55-L100 HydrophobicContact CG-CD1 4.29Å; L96-L100 HydrophobicContact CD1-CD1 4.11Å; L96-L100 HydrophobicContact CD1-CG 4.08Å; L96-L100 HydrophobicContact CG-CD1 4.06Å; L96-L100 HydrophobicContact CG-CG 4.42Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.46Å; L97-L100 PolarHBondContact O-N 2.87Å; I98-L100 PolarHBondContact O-N 3.27Å; L100-Y102 VanDerWaalsContact C-N 3.3Å; L100-Y102 PolarHBondContact O-N 2.81Å; L100-T103 WeakPolarHBondContact CA-OG1 3.06Å; L100-T103 PolarHBondContact O-N 3.02Å; L100-T103 PolarHBondContact O-OG1 3.29Å; L100-H104 PolarHBondContact O-N 3.1Å; L100-L110 HydrophobicContact CB-CD1 4.3Å; L100-Y135 HydrophobicContact CD2-CE1 4.02Å; L100-Y135 HydrophobicContact CG-CE1 4.33Å
101I96.4Very high94.5Very high80 Ų8051.5 Ų51.541%0.4129%0.287SS..Hα-helixtrans-61.9-41.3176.6-66.3167.2000110.5I52 L97 I98 H104 N105I52-I101 HydrophobicContact CD1-CG1 4.42Å; L97-I101 HydrophobicContact CD1-CD1 3.91Å; L97-I101 HydrophobicContact CD1-CG1 4.25Å; L97-I101 HydrophobicContact CG-CD1 3.94Å; L97-I101 WeakPolarHBondContact O-CG1 3.24Å; L97-I101 PolarHBondContact O-N 3.06Å; I98-I101 PolarHBondContact O-N 3.48Å; I101-H104 WeakPolarHBondContact O-CB 3.18Å; I101-H104 PolarHBondContact O-N 2.96Å; I101-N105 PolarHBondContact O-N 3.12Å
102Y94.9Very high94.2Very high128 Ų12847 Ų4750%0.50226%0.259SS..Hα-helixtrans-58.5-50174.6175.8-93.5000111.5I98 A99 L100 H104 N105 T106 M131I98-Y102 WeakPolarHBondContact O-CB 3.34Å; I98-Y102 PolarHBondContact O-N 3.14Å; A99-Y102 WeakPolarHBondContact O-CB 3.3Å; A99-Y102 PolarHBondContact O-N 2.98Å; L100-Y102 VanDerWaalsContact C-N 3.3Å; L100-Y102 PolarHBondContact O-N 2.81Å; Y102-H104 VanDerWaalsContact C-N 3.27Å; Y102-H104 PolarHBondContact O-N 3.45Å; Y102-N105 PolarHBondContact O-N 2.82Å; Y102-N105 VanDerWaalsContact O-N 3.11Å; Y102-T106 HydrophobicContact CD1-CG2 4.24Å; Y102-T106 HydrophobicContact CE1-CG2 3.78Å; Y102-T106 HydrophobicContact CE2-CG2 4.1Å; Y102-T106 PolarHBondContact O-N 3.16Å; Y102-T106 PolarHBondContact O-OG1 3.44Å; Y102-M131 HydrophobicContact CD1-CE 3.13Å; Y102-M131 HydrophobicContact CD1-SD 4.36Å; Y102-M131 HydrophobicContact CD2-CE 4.45Å; Y102-M131 HydrophobicContact CE1-CE 3.56Å; Y102-M131 HydrophobicContact CG-CE 3.63Å
103T92.1Very high94.1Very high9 Ų952.5 Ų52.56%0.05529%0.286CS..Hα-helixtrans-62-33.7176.830.50000113.8A99 L100 N105 T106 L107 L110 Y135 I185A99-T103 PolarHBondContact O-N 2.81Å; A99-T103 PolarHBondContact O-OG1 3.44Å; L100-T103 WeakPolarHBondContact CA-OG1 3.06Å; L100-T103 PolarHBondContact O-N 3.02Å; L100-T103 PolarHBondContact O-OG1 3.29Å; T103-N105 VanDerWaalsContact C-N 3.31Å; T103-T106 WeakPolarHBondContact CA-OG1 3.21Å; T103-T106 PolarHBondContact O-N 2.96Å; T103-T106 PolarHBondContact O-OG1 3.46Å; T103-T106 VanDerWaalsContact O-OG1 3.12Å; T103-L107 HydrophobicContact CG2-CD1 4.4Å; T103-L107 WeakPolarHBondContact O-CB 3.32Å; T103-L107 PolarHBondContact O-N 3.04Å; T103-L110 WeakPolarHBondContact OG1-CD2 3.46Å; T103-Y135 WeakPolarHBondContact CB-OH 3.27Å; T103-Y135 WeakPolarHBondContact CG2-OH 2.88Å; T103-Y135 PolarHBondContact OG1-OH 3.14Å; T103-I185 HydrophobicContact CG2-CG2 4.47Å
104H93.9Very high93.9Very high86 Ų8656.1 Ų56.140%0.39831%0.305SS..Hα-helixtrans-62.5-43.6175.2-17458.7000110.8L100 I101 Y102 T106 G108 L110L100-H104 PolarHBondContact O-N 3.1Å; I101-H104 WeakPolarHBondContact O-CB 3.18Å; I101-H104 PolarHBondContact O-N 2.96Å; Y102-H104 VanDerWaalsContact C-N 3.27Å; Y102-H104 PolarHBondContact O-N 3.45Å; H104-T106 VanDerWaalsContact C-N 3.33Å; H104-T106 PolarHBondContact O-N 3.43Å; H104-G108 PolarHBondContact CE1-O 2.86Å; H104-G108 VanDerWaalsContact CE1-O 3.27Å; H104-G108 CarbonylContact O-C 3.49Å; H104-G108 WeakPolarHBondContact O-CA 3.37Å; H104-G108 PolarHBondContact O-N 3Å; H104-L110 HydrophobicContact CB-CD1 3.86Å; H104-L110 HydrophobicContact CB-CD2 4.29Å; H104-L110 HydrophobicContact CB-CG 3.82Å
105N94.6Very high93.6Very high122 Ų12251.9 Ų51.965%0.65228%0.283SS*.Hα-helixtrans-68.5-31.2179.1-66.2-14.6000112.6I101 Y102 T103I101-N105 PolarHBondContact O-N 3.12Å; Y102-N105 PolarHBondContact O-N 2.82Å; Y102-N105 VanDerWaalsContact O-N 3.11Å; T103-N105 VanDerWaalsContact C-N 3.31Å
106T91Very high93.1Very high70 Ų7053.5 Ų53.543%0.42929%0.292SS..Hα-helixtrans-84-41.8-179.9580000113.5Y102 T103 H104Y102-T106 HydrophobicContact CD1-CG2 4.24Å; Y102-T106 HydrophobicContact CE1-CG2 3.78Å; Y102-T106 HydrophobicContact CE2-CG2 4.1Å; Y102-T106 PolarHBondContact O-N 3.16Å; Y102-T106 PolarHBondContact O-OG1 3.44Å; T103-T106 WeakPolarHBondContact CA-OG1 3.21Å; T103-T106 PolarHBondContact O-N 2.96Å; T103-T106 PolarHBondContact O-OG1 3.46Å; T103-T106 VanDerWaalsContact O-OG1 3.12Å; H104-T106 VanDerWaalsContact C-N 3.33Å; H104-T106 PolarHBondContact O-N 3.43Å
107L89.5Confident92.6Very high35 Ų3560.3 Ų60.318%0.18333%0.328CS..Hα-helixtrans-98.4-10-175.1-62.1173.2000113T103 S109 L115 Q120T103-L107 HydrophobicContact CG2-CD1 4.4Å; T103-L107 WeakPolarHBondContact O-CB 3.32Å; T103-L107 PolarHBondContact O-N 3.04Å; L107-S109 PolarHBondContact O-N 3.09Å; L107-S109 VanDerWaalsContact O-N 3.14Å; L107-L115 HydrophobicContact CD1-CD2 3.55Å; L107-Q120 HydrophobicContact CD2-CG 4.22Å
108G89.8Confident92Very high56 Ų5660.6 Ų60.658%0.57733%0.331SS*.SBendtrans77.4-19.1-179.200000115.1H104H104-G108 PolarHBondContact CE1-O 2.86Å; H104-G108 VanDerWaalsContact CE1-O 3.27Å; H104-G108 CarbonylContact O-C 3.49Å; H104-G108 WeakPolarHBondContact O-CA 3.37Å; H104-G108 PolarHBondContact O-N 3Å
109S91.8Very high91.2Very high21 Ų2156.9 Ų56.915%0.14732%0.319CS..  trans-146.8158.2176.379.90000112.1L107 L114L107-S109 PolarHBondContact O-N 3.09Å; L107-S109 VanDerWaalsContact O-N 3.14Å; S109-L114 WeakPolarHBondContact OG-CD2 3.39Å
110L93.4Very high90.6Very high2 Ų263.6 Ų63.61%0.0135%0.35CS..  trans-11716.1174.9-69.4177.3000112E50 L51 I52 L100 T103 H104 I112E50-L110 WeakPolarHBondContact OE2-CA 3.42Å; E50-L110 WeakPolarHBondContact OE2-CB 3.26Å; E50-L110 PolarHBondContact OE2-N 3.44Å; L51-L110 HydrophobicContact CB-CB 4.16Å; L51-L110 PolarHBondContact N-O 2.94Å; I52-L110 HydrophobicContact CB-CD1 3.94Å; L100-L110 HydrophobicContact CB-CD1 4.3Å; T103-L110 WeakPolarHBondContact OG1-CD2 3.46Å; H104-L110 HydrophobicContact CB-CD1 3.86Å; H104-L110 HydrophobicContact CB-CD2 4.29Å; H104-L110 HydrophobicContact CB-CG 3.82Å; L110-I112 PolarHBondContact O-N 3.42Å
111N94.9Very high90.1Very high44 Ų4471.2 Ų71.224%0.23539%0.385CS..BIsolated β-bridgetrans-67122.7177.8-168.2-15.7000108.1E50 L113 L114 L115E50-N111 WeakPolarHBondContact OE1-CA 3.34Å; E50-N111 WeakPolarHBondContact OE1-CB 3.12Å; E50-N111 PolarHBondContact OE2-N 3.5Å; N111-L113 PolarHBondContact O-N 3.48Å; N111-L113 VanDerWaalsContact O-N 3.16Å; N111-L113 PolarHBondContact OD1-N 3.08Å; N111-L114 HydrophobicContact CB-CB 4.12Å; N111-L114 PolarHBondContact O-N 3.25Å; N111-L115 WeakPolarHBondContact O-CB 3.49Å; N111-L115 WeakPolarHBondContact O-CG 3.06Å; N111-L115 PolarHBondContact O-N 2.72Å
112I91.6Very high89.6Confident12 Ų1268.8 Ų68.86%0.06237%0.373CS..Hα-helixtrans-56.7-36.3-179.3-64.3155.5000111.1T49 L51 L110 L115 T116 R181T49-I112 VanDerWaalsContact O-CD1 3.31Å; T49-I112 WeakPolarHBondContact O-CD1 3.4Å; T49-I112 VanDerWaalsContact O-CG1 3.25Å; T49-I112 WeakPolarHBondContact O-CG1 3.11Å; T49-I112 PolarHBondContact O-N 2.87Å; L51-I112 HydrophobicContact CD2-CD1 4.09Å; L51-I112 HydrophobicContact CD2-CG1 3.83Å; L51-I112 HydrophobicContact CG-CG1 4.05Å; L110-I112 PolarHBondContact O-N 3.42Å; I112-L115 PolarHBondContact O-N 3.17Å; I112-T116 PolarHBondContact O-N 3.25Å; I112-R181 HydrophobicContact CD1-CG 4.5Å
113L91.1Very high89.3Confident123 Ų12366.4 Ų66.464%0.64438%0.375SS*.Hα-helixtrans-66.1-44.2178-65.8173.7000111.8N111 T116N111-L113 PolarHBondContact O-N 3.48Å; N111-L113 VanDerWaalsContact O-N 3.16Å; N111-L113 PolarHBondContact OD1-N 3.08Å; L113-T116 PolarHBondContact O-N 3.35Å; L113-T116 PolarHBondContact O-OG1 3.48Å
114L91.6Very high89.3Confident75 Ų7571.9 Ų71.939%0.39340%0.404SS..Hα-helixtrans-68.4-39178.1-160.682000111.1S109 N111 T116 L117 T118S109-L114 WeakPolarHBondContact OG-CD2 3.39Å; N111-L114 HydrophobicContact CB-CB 4.12Å; N111-L114 PolarHBondContact O-N 3.25Å; L114-T116 PolarHBondContact O-N 3.43Å; L114-L117 WeakPolarHBondContact O-CA 3.35Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 2.88Å; L114-T118 HydrophobicContact CD2-CG2 4.19Å; L114-T118 HydrophobicContact CG-CG2 3.99Å; L114-T118 PolarHBondContact O-N 3.14Å; L114-T118 PolarHBondContact O-OG1 2.75Å; L114-T118 VanDerWaalsContact O-OG1 3.07Å
115L89.8Confident89.3Confident4 Ų469.8 Ų69.82%0.02140%0.399CS..Hα-helixtrans-57.6-31.6177.7-77.5162.4000112.6L51 L107 N111 I112 L117 T118 A119 I185L51-L115 HydrophobicContact CD1-CD1 3.55Å; L51-L115 HydrophobicContact CG-CD1 4.29Å; L107-L115 HydrophobicContact CD1-CD2 3.55Å; N111-L115 WeakPolarHBondContact O-CB 3.49Å; N111-L115 WeakPolarHBondContact O-CG 3.06Å; N111-L115 PolarHBondContact O-N 2.72Å; I112-L115 PolarHBondContact O-N 3.17Å; L115-L117 PolarHBondContact O-N 2.86Å; L115-T118 PolarHBondContact O-N 3.07Å; L115-A119 WeakPolarHBondContact O-CA 3.31Å; L115-A119 WeakPolarHBondContact O-CB 3.31Å; L115-A119 PolarHBondContact O-N 2.98Å; L115-I185 HydrophobicContact CD1-CD1 4.07Å; L115-I185 HydrophobicContact CD2-CD1 4.12Å; L115-I185 HydrophobicContact CD2-CG1 4.23Å
116T87.1Confident89.2Confident82 Ų8274.2 Ų74.250%0.50341%0.407SS..Hα-helixtrans-62.5-23.7174.262.60000113.5I112 L113 L114 L184I112-T116 PolarHBondContact O-N 3.25Å; L113-T116 PolarHBondContact O-N 3.35Å; L113-T116 PolarHBondContact O-OG1 3.48Å; L114-T116 PolarHBondContact O-N 3.43Å; T116-L184 HydrophobicContact CG2-CD1 3.75Å
117L85.7Confident89.4Confident145 Ų14574.1 Ų74.176%0.75941%0.413SS*.Hα-helixtrans-100.1-33-179.1-58174.5000112.2L114 L115L114-L117 WeakPolarHBondContact O-CA 3.35Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 2.88Å; L115-L117 PolarHBondContact O-N 2.86Å
118T84.3Confident89.6Confident53 Ų5373.9 Ų73.933%0.32541%0.412SS..Hα-helixtrans-106-1.3-172.560.60000114.2L114 L115 Q120L114-T118 HydrophobicContact CD2-CG2 4.19Å; L114-T118 HydrophobicContact CG-CG2 3.99Å; L114-T118 PolarHBondContact O-N 3.14Å; L114-T118 PolarHBondContact O-OG1 2.75Å; L114-T118 VanDerWaalsContact O-OG1 3.07Å; L115-T118 PolarHBondContact O-N 3.07Å; T118-Q120 PolarHBondContact O-N 3Å
119A80.3Confident89.8Confident43 Ų4372.3 Ų72.336%0.35539%0.39SS..PPolyproline II helixtrans-57.2124.1179.300000110.9L115L115-A119 WeakPolarHBondContact O-CA 3.31Å; L115-A119 WeakPolarHBondContact O-CB 3.31Å; L115-A119 PolarHBondContact O-N 2.98Å
120Q82.6Confident90Very high143 Ų14376.9 Ų76.967%0.66841%0.413SS*.PPolyproline II helixtrans-92.5141.7172.7-66.8178.5-7.700109.3L107 T118 L122L107-Q120 HydrophobicContact CD2-CG 4.22Å; T118-Q120 PolarHBondContact O-N 3Å; Q120-L122 PolarHBondContact O-N 2.97Å
121E85.1Confident90Very high163 Ų16378.4 Ų78.476%0.76242%0.42SS*.PPolyproline II helixtrans-67.9129175.8-67-170.5171.200110.9S123E121-S123 PolarHBondContact O-N 3.03Å
122L85.9Confident90Very high28 Ų2876.4 Ų76.415%0.14741%0.409CS..  trans-75.9113174.4-71.6175000110.5Q120 N128 I185 L186 N187 L189Q120-L122 PolarHBondContact O-N 2.97Å; L122-N128 HydrophobicContact CD2-CB 4.43Å; L122-I185 VanDerWaalsContact CD1-O 3.26Å; L122-I185 WeakPolarHBondContact CD1-O 3.43Å; L122-I185 WeakPolarHBondContact CG-O 3.36Å; L122-L186 HydrophobicContact CD1-CD2 4.46Å; L122-N187 PolarHBondContact N-O 3.18Å; L122-L189 HydrophobicContact CB-CB 4.04Å
123S89.8Confident90.2Very high78 Ų7878.3 Ų78.355%0.54542%0.419SS..  trans-71.1157.4173.864.20000112.2E121 S125 N128 L189E121-S123 PolarHBondContact O-N 3.03Å; S123-S125 PolarHBondContact O-N 3.29Å; S123-N128 PolarHBondContact N-ND2 3.38Å; S123-N128 VanDerWaalsContact O-CB 3.26Å; S123-N128 WeakPolarHBondContact O-CB 3.31Å; S123-N128 PolarHBondContact O-ND2 3.41Å; S123-N128 PolarHBondContact OG-ND2 3.3Å; S123-N128 VanDerWaalsContact OG-ND2 3.13Å; S123-L189 VanDerWaalsContact O-CD1 3.23Å; S123-L189 WeakPolarHBondContact O-CD1 3.46Å
124N90.8Very high90.4Very high124 Ų12473.3 Ų73.366%0.66340%0.396SS*.SBendtrans-75.696.2178.1-170.621.7000110.9
125S94.1Very high90.6Very high43 Ų4369.9 Ų69.930%0.30138%0.378SS..  trans-140.3155.7174.471.90000110.2S123 A127 N128 N129S123-S125 PolarHBondContact O-N 3.29Å; S125-A127 PolarHBondContact O-N 3.01Å; S125-N128 PolarHBondContact O-N 3.09Å; S125-N128 VanDerWaalsContact O-N 3.09Å; S125-N128 WeakPolarHBondContact OG-CB 3.38Å; S125-N128 VanDerWaalsContact OG-CG 3.24Å; S125-N128 PolarHBondContact OG-N 3.47Å; S125-N128 PolarHBondContact OG-ND2 3.26Å; S125-N129 VanDerWaalsContact O-CG 3.28Å; S125-N129 PolarHBondContact O-N 3.35Å
126W93.6Very high90.9Very high215 Ų21569.8 Ų69.881%0.81438%0.377SS*.Hα-helixtrans-57.5-36.7177.2-76.8106.9000112.8N129 L130W126-N129 PolarHBondContact O-N 3.32Å; W126-L130 WeakPolarHBondContact O-CG 3.44Å; W126-L130 PolarHBondContact O-N 2.97Å
127A93.9Very high91.2Very high68 Ų6868.5 Ų68.556%0.56237%0.366SS*.Hα-helixtrans-63-45.8175.200000111.5S125 N129 L130 M131S125-A127 PolarHBondContact O-N 3.01Å; A127-N129 VanDerWaalsContact C-N 3.34Å; A127-N129 PolarHBondContact O-N 3.36Å; A127-L130 PolarHBondContact O-N 3.38Å; A127-M131 WeakPolarHBondContact O-CB 3.44Å; A127-M131 PolarHBondContact O-N 3.33Å
128N93.6Very high91.7Very high29 Ų2961.6 Ų61.616%0.15533%0.33CS..Hα-helixtrans-69.6-31.3178.5-67.3-16.2000112.4L122 S123 S125 M131 W132 L189L122-N128 HydrophobicContact CD2-CB 4.43Å; S123-N128 PolarHBondContact N-ND2 3.38Å; S123-N128 VanDerWaalsContact O-CB 3.26Å; S123-N128 WeakPolarHBondContact O-CB 3.31Å; S123-N128 PolarHBondContact O-ND2 3.41Å; S123-N128 PolarHBondContact OG-ND2 3.3Å; S123-N128 VanDerWaalsContact OG-ND2 3.13Å; S125-N128 PolarHBondContact O-N 3.09Å; S125-N128 VanDerWaalsContact O-N 3.09Å; S125-N128 WeakPolarHBondContact OG-CB 3.38Å; S125-N128 VanDerWaalsContact OG-CG 3.24Å; S125-N128 PolarHBondContact OG-N 3.47Å; S125-N128 PolarHBondContact OG-ND2 3.26Å; N128-M131 PolarHBondContact O-N 2.87Å; N128-W132 WeakPolarHBondContact O-CB 3.34Å; N128-W132 PolarHBondContact O-N 3.39Å; N128-L189 HydrophobicContact CB-CD1 4.09Å
129N94.8Very high92.3Very high23 Ų2359.2 Ų59.212%0.12332%0.315CS..Hα-helixtrans-64.9-43.8172.7-68.5-15.1000111.6S125 W126 A127 W132 L133 L189 M193S125-N129 VanDerWaalsContact O-CG 3.28Å; S125-N129 PolarHBondContact O-N 3.35Å; W126-N129 PolarHBondContact O-N 3.32Å; A127-N129 VanDerWaalsContact C-N 3.34Å; A127-N129 PolarHBondContact O-N 3.36Å; N129-W132 PolarHBondContact O-N 3.49Å; N129-L133 WeakPolarHBondContact O-CG 3.41Å; N129-L133 PolarHBondContact O-N 3.43Å; N129-L133 VanDerWaalsContact O-N 3.08Å; N129-L189 WeakPolarHBondContact OD1-CD1 3.23Å; N129-M193 HydrophobicContact CB-CE 3.91Å; N129-M193 HydrophobicContact CB-SD 4.15Å
130L95.1Very high93Very high118 Ų11857.1 Ų57.162%0.61830%0.298SS*.Hα-helixtrans-66.4-39.5174-73.2171.5000111.8W126 A127 L133 A134W126-L130 WeakPolarHBondContact O-CG 3.44Å; W126-L130 PolarHBondContact O-N 2.97Å; A127-L130 PolarHBondContact O-N 3.38Å; L130-L133 PolarHBondContact O-N 3.49Å; L130-A134 WeakPolarHBondContact O-CB 3.19Å; L130-A134 PolarHBondContact O-N 3.35Å
131M94.1Very high93.6Very high34 Ų3450.6 Ų50.617%0.16727%0.268CS..Hα-helixtrans-61.9-43.8175.5-173.364.574.900111.5A99 Y102 A127 N128 L133 A134 Y135A99-M131 HydrophobicContact CB-SD 3.45Å; A99-M131 WeakPolarHBondContact CB-SD 3.43Å; Y102-M131 HydrophobicContact CD1-CE 3.13Å; Y102-M131 HydrophobicContact CD1-SD 4.36Å; Y102-M131 HydrophobicContact CD2-CE 4.45Å; Y102-M131 HydrophobicContact CE1-CE 3.56Å; Y102-M131 HydrophobicContact CG-CE 3.63Å; A127-M131 WeakPolarHBondContact O-CB 3.44Å; A127-M131 PolarHBondContact O-N 3.33Å; N128-M131 PolarHBondContact O-N 2.87Å; M131-L133 VanDerWaalsContact C-N 3.34Å; M131-L133 PolarHBondContact O-N 2.93Å; M131-A134 WeakPolarHBondContact O-CB 3.48Å; M131-A134 PolarHBondContact O-N 3.3Å; M131-Y135 HydrophobicContact CG-CD2 3.88Å; M131-Y135 HydrophobicContact CG-CE2 3.39Å; M131-Y135 WeakPolarHBondContact O-CD2 3.28Å; M131-Y135 PolarHBondContact O-N 3.29Å; M131-Y135 HydrophobicContact SD-CD2 4.33Å; M131-Y135 HydrophobicContact SD-CE2 3.65Å
132W95.6Very high94.1Very high1 Ų142.9 Ų42.90%0.00423%0.232CC..Hα-helixtrans-60.5-42.9175.2-174.698.9000112N128 N129 Y135 T136 L186 L189 M193 F197 L238N128-W132 WeakPolarHBondContact O-CB 3.34Å; N128-W132 PolarHBondContact O-N 3.39Å; N129-W132 PolarHBondContact O-N 3.49Å; W132-Y135 PolarHBondContact O-N 3.36Å; W132-T136 HydrophobicContact CD2-CG2 3.97Å; W132-T136 HydrophobicContact CE3-CG2 4.13Å; W132-T136 HydrophobicContact CH2-CG2 3.98Å; W132-T136 HydrophobicContact CZ2-CG2 3.83Å; W132-T136 HydrophobicContact CZ3-CG2 4.11Å; W132-T136 WeakPolarHBondContact CZ3-OG1 3.09Å; W132-T136 WeakPolarHBondContact O-CB 3.3Å; W132-T136 WeakPolarHBondContact O-CG2 3.25Å; W132-T136 PolarHBondContact O-N 2.89Å; W132-T136 PolarHBondContact O-OG1 3.17Å; W132-L186 HydrophobicContact CB-CD2 4.33Å; W132-L186 HydrophobicContact CG-CD2 4.05Å; W132-L189 HydrophobicContact CB-CD2 3.43Å; W132-L189 VanDerWaalsContact CB-CD2 3.43Å; W132-L189 HydrophobicContact CG-CD2 3.69Å; W132-M193 HydrophobicContact CD2-CB 3.67Å; W132-M193 HydrophobicContact CD2-CG 4.25Å; W132-M193 HydrophobicContact CE3-CB 3.8Å; W132-M193 HydrophobicContact CE3-CE 4.18Å; W132-M193 HydrophobicContact CE3-CG 4.43Å; W132-M193 HydrophobicContact CG-CB 4.26Å; W132-M193 HydrophobicContact CG-CG 4.41Å; W132-M193 HydrophobicContact CH2-CB 4.1Å; W132-M193 HydrophobicContact CZ2-CB 3.95Å; W132-M193 HydrophobicContact CZ3-CB 4.03Å; W132-F197 AromaticContact CH2-CD2 3.66Å; W132-F197 HydrophobicContact CH2-CD2 3.66Å; W132-F197 AromaticContact CH2-CE2 3.8Å; W132-F197 HydrophobicContact CH2-CE2 3.8Å; W132-F197 AromaticContact CZ3-CD2 3.8Å; W132-F197 HydrophobicContact CZ3-CD2 3.8Å; W132-F197 AromaticContact CZ3-CE2 3.41Å; W132-F197 HydrophobicContact CZ3-CE2 3.41Å; W132-F197 VanDerWaalsContact CZ3-CE2 3.41Å; W132-F197 HydrophobicContact CZ3-CZ 4.18Å; W132-L238 HydrophobicContact CZ2-CD2 4.34Å
133L95.6Very high94.3Very high52 Ų5241.6 Ų41.627%0.27223%0.225SC..Hα-helixtrans-62.4-45.1173.3-73.5168.6000111.1N129 L130 M131 Y135 T136 M137 M193 F197N129-L133 WeakPolarHBondContact O-CG 3.41Å; N129-L133 PolarHBondContact O-N 3.43Å; N129-L133 VanDerWaalsContact O-N 3.08Å; L130-L133 PolarHBondContact O-N 3.49Å; M131-L133 VanDerWaalsContact C-N 3.34Å; M131-L133 PolarHBondContact O-N 2.93Å; L133-Y135 VanDerWaalsContact C-N 3.3Å; L133-Y135 PolarHBondContact O-N 3.45Å; L133-T136 PolarHBondContact O-N 2.97Å; L133-T136 PolarHBondContact O-OG1 2.78Å; L133-M137 HydrophobicContact CB-CG 4.45Å; L133-M137 VanDerWaalsContact O-CB 3.27Å; L133-M137 WeakPolarHBondContact O-CB 3.48Å; L133-M137 WeakPolarHBondContact O-CG 3.13Å; L133-M137 PolarHBondContact O-N 3.2Å; L133-M193 HydrophobicContact CD1-CE 4.42Å; L133-M193 HydrophobicContact CG-CE 4.23Å; L133-F197 HydrophobicContact CD2-CE2 3.98Å; L133-F197 HydrophobicContact CD2-CZ 3.68Å
134A96.1Very high94.1Very high19 Ų1937.9 Ų37.916%0.15720%0.2CC..Hα-helixtrans-59.2-40.3178.600000112.4P95 L96 A99 L130 M131P95-A134 HydrophobicContact CB-CB 3.98Å; L96-A134 WeakPolarHBondContact CA-O 2.76Å; L96-A134 WeakPolarHBondContact CB-O 3.5Å; L96-A134 PolarHBondContact N-O 2.98Å; A99-A134 HydrophobicContact CB-CB 3.91Å; L130-A134 WeakPolarHBondContact O-CB 3.19Å; L130-A134 PolarHBondContact O-N 3.35Å; M131-A134 WeakPolarHBondContact O-CB 3.48Å; M131-A134 PolarHBondContact O-N 3.3Å
135Y94.9Very high94.2Very high2 Ų232.3 Ų32.31%0.00817%0.17CC..Hα-helixtrans-67.4-44174-76-55000113.1L96 A99 L100 T103 M131 W132 L133 F139 L182 I185 L186L96-Y135 HydrophobicContact CD1-CD1 3.76Å; A99-Y135 HydrophobicContact CB-CD1 3.88Å; A99-Y135 HydrophobicContact CB-CE1 3.49Å; A99-Y135 VanDerWaalsContact CB-CE1 3.49Å; A99-Y135 HydrophobicContact CB-CE2 4.23Å; A99-Y135 HydrophobicContact CB-CG 4.32Å; A99-Y135 PolarHBondContact O-OH 3.23Å; L100-Y135 HydrophobicContact CD2-CE1 4.02Å; L100-Y135 HydrophobicContact CG-CE1 4.33Å; T103-Y135 WeakPolarHBondContact CB-OH 3.27Å; T103-Y135 WeakPolarHBondContact CG2-OH 2.88Å; T103-Y135 PolarHBondContact OG1-OH 3.14Å; M131-Y135 HydrophobicContact CG-CD2 3.88Å; M131-Y135 HydrophobicContact CG-CE2 3.39Å; M131-Y135 WeakPolarHBondContact O-CD2 3.28Å; M131-Y135 PolarHBondContact O-N 3.29Å; M131-Y135 HydrophobicContact SD-CD2 4.33Å; M131-Y135 HydrophobicContact SD-CE2 3.65Å; W132-Y135 PolarHBondContact O-N 3.36Å; L133-Y135 VanDerWaalsContact C-N 3.3Å; L133-Y135 PolarHBondContact O-N 3.45Å; Y135-F139 WeakPolarHBondContact O-CD2 3.13Å; Y135-F139 WeakPolarHBondContact O-CE2 3.19Å; Y135-L182 HydrophobicContact CD1-CD1 4.01Å; Y135-L182 HydrophobicContact CD1-CD2 4.35Å; Y135-L182 HydrophobicContact CG-CD1 4.41Å; Y135-I185 HydrophobicContact CE2-CG2 4.29Å; Y135-L186 HydrophobicContact CD2-CD2 3.55Å; Y135-L186 HydrophobicContact CG-CD2 3.96Å
136T95.1Very high94.2Very high2 Ų233 Ų331%0.01217%0.166CC..Hα-helixtrans-84.3-33.4-169.754.70000114W132 L133 A138 F139 M140 M179 L186W132-T136 HydrophobicContact CD2-CG2 3.97Å; W132-T136 HydrophobicContact CE3-CG2 4.13Å; W132-T136 HydrophobicContact CH2-CG2 3.98Å; W132-T136 HydrophobicContact CZ2-CG2 3.83Å; W132-T136 HydrophobicContact CZ3-CG2 4.11Å; W132-T136 WeakPolarHBondContact CZ3-OG1 3.09Å; W132-T136 WeakPolarHBondContact O-CB 3.3Å; W132-T136 WeakPolarHBondContact O-CG2 3.25Å; W132-T136 PolarHBondContact O-N 2.89Å; W132-T136 PolarHBondContact O-OG1 3.17Å; L133-T136 PolarHBondContact O-N 2.97Å; L133-T136 PolarHBondContact O-OG1 2.78Å; T136-A138 PolarHBondContact O-N 3.13Å; T136-F139 PolarHBondContact O-N 3.45Å; T136-M140 WeakPolarHBondContact O-CG 3.31Å; T136-M140 PolarHBondContact O-N 3.15Å; T136-M179 HydrophobicContact CG2-CE 4.39Å; T136-L186 HydrophobicContact CG2-CD1 3.82Å
137M94.9Very high94.2Very high55 Ų5525 Ų2527%0.27115%0.15SC..Hα-helixtrans-61.8-39-169.3-76.8-60.6-6400113.6L133 F139 M140 V141 L148 F197L133-M137 HydrophobicContact CB-CG 4.45Å; L133-M137 VanDerWaalsContact O-CB 3.27Å; L133-M137 WeakPolarHBondContact O-CB 3.48Å; L133-M137 WeakPolarHBondContact O-CG 3.13Å; L133-M137 PolarHBondContact O-N 3.2Å; M137-F139 VanDerWaalsContact C-N 3.25Å; M137-F139 PolarHBondContact O-N 2.71Å; M137-M140 PolarHBondContact O-N 2.92Å; M137-V141 WeakPolarHBondContact O-CG2 3.31Å; M137-V141 PolarHBondContact O-N 2.93Å; M137-L148 HydrophobicContact CE-CD1 3.8Å; M137-F197 HydrophobicContact SD-CE1 4.18Å; M137-F197 HydrophobicContact SD-CZ 4.32Å
138A95.5Very high94.3Very high1 Ų123.9 Ų23.91%0.00814%0.135CC..Hα-helixtrans-55-43.6175.100000112.1G92 L96 T136 V141 K142G92-A138 WeakPolarHBondContact O-CA 3.33Å; G92-A138 WeakPolarHBondContact O-CB 3.43Å; G92-A138 PolarHBondContact O-N 2.6Å; L96-A138 HydrophobicContact CB-CB 3.91Å; L96-A138 HydrophobicContact CD2-CB 3.66Å; L96-A138 HydrophobicContact CG-CB 4.39Å; T136-A138 PolarHBondContact O-N 3.13Å; A138-V141 PolarHBondContact O-N 3.44Å; A138-K142 PolarHBondContact O-N 3Å
139F96.3Very high94.4Very high2 Ų223.2 Ų23.21%0.00913%0.13CC..Hα-helixtrans-79-31.6-178.9-52.7-65.1000112.3F54 F58 L96 Y135 T136 M137 V141 K142 M143 G175 M179 L182F54-F139 AromaticContact CE1-CE1 3.71Å; F54-F139 HydrophobicContact CE1-CE1 3.71Å; F54-F139 AromaticContact CE1-CZ 3.84Å; F54-F139 HydrophobicContact CE1-CZ 3.84Å; F54-F139 AromaticContact CZ-CE1 3.98Å; F54-F139 HydrophobicContact CZ-CE1 3.98Å; F58-F139 HydrophobicContact CE2-CD1 4.33Å; F58-F139 HydrophobicContact CE2-CE1 4.24Å; F58-F139 HydrophobicContact CZ-CD1 4.43Å; F58-F139 HydrophobicContact CZ-CE1 4.36Å; L96-F139 HydrophobicContact CD1-CE2 3.98Å; L96-F139 HydrophobicContact CD1-CZ 4.27Å; L96-F139 HydrophobicContact CD2-CE1 4.24Å; L96-F139 HydrophobicContact CD2-CE2 3.8Å; L96-F139 HydrophobicContact CD2-CZ 3.48Å; L96-F139 VanDerWaalsContact CD2-CZ 3.48Å; Y135-F139 WeakPolarHBondContact O-CD2 3.13Å; Y135-F139 WeakPolarHBondContact O-CE2 3.19Å; T136-F139 PolarHBondContact O-N 3.45Å; M137-F139 VanDerWaalsContact C-N 3.25Å; M137-F139 PolarHBondContact O-N 2.71Å; F139-V141 PolarHBondContact O-N 3.39Å; F139-K142 PolarHBondContact O-N 3.35Å; F139-M143 WeakPolarHBondContact O-CB 3.29Å; F139-M143 PolarHBondContact O-N 2.92Å; F139-G175 WeakPolarHBondContact CB-O 3.48Å; F139-M179 HydrophobicContact CB-CG 3.45Å; F139-M179 VanDerWaalsContact CB-CG 3.45Å; F139-M179 HydrophobicContact CB-SD 4.4Å; F139-M179 HydrophobicContact CD2-CG 4.22Å; F139-M179 HydrophobicContact CG-CG 4.01Å; F139-L182 HydrophobicContact CD2-CD1 4.1Å; F139-L182 HydrophobicContact CE2-CD1 3.21Å; F139-L182 HydrophobicContact CE2-CG 4.36Å; F139-L182 HydrophobicContact CZ-CD1 3.85Å
140M95.3Very high94.5Very high0 Ų026 Ų260%015%0.145CC..Hα-helixtrans-70.2-19.6172.4-66.3-61-172.700113.4T136 M137 M143 L145 M179 F197 V234 L238T136-M140 WeakPolarHBondContact O-CG 3.31Å; T136-M140 PolarHBondContact O-N 3.15Å; M137-M140 PolarHBondContact O-N 2.92Å; M140-M143 CarbonylContact C-O 3.59Å; M140-L145 HydrophobicContact CB-CB 4.29Å; M140-L145 WeakPolarHBondContact O-CB 3.28Å; M140-L145 PolarHBondContact O-N 3.04Å; M140-L145 HydrophobicContact SD-CD1 4.2Å; M140-M179 HydrophobicContact CE-CE 3.39Å; M140-M179 HydrophobicContact CE-SD 3.7Å; M140-M179 HydrophobicContact SD-CE 4.44Å; M140-M179 HydrophobicContact SD-SD 3.98Å; M140-F197 HydrophobicContact CE-CB 4.25Å; M140-F197 HydrophobicContact CE-CD1 4.38Å; M140-F197 HydrophobicContact CE-CG 4.35Å; M140-V234 HydrophobicContact CE-CG1 3.99Å; M140-V234 HydrophobicContact SD-CG1 3.81Å; M140-V234 HydrophobicContact SD-CG2 4.46Å; M140-L238 HydrophobicContact CE-CD1 4.06Å; M140-L238 HydrophobicContact CE-CD2 3.93Å; M140-L238 HydrophobicContact CE-CG 4.25Å
141V96.4Very high94.5Very high6 Ų620.4 Ų20.44%0.03612%0.116CC..Hα-helixtrans-79.4-45.2168.2172.10000110.5Y88 T89 M137 A138 F139 L148 W151Y88-V141 HydrophobicContact CD1-CG1 4.36Å; Y88-V141 WeakPolarHBondContact O-CG1 3.37Å; T89-V141 HydrophobicContact CG2-CG1 4.37Å; M137-V141 WeakPolarHBondContact O-CG2 3.31Å; M137-V141 PolarHBondContact O-N 2.93Å; A138-V141 PolarHBondContact O-N 3.44Å; F139-V141 PolarHBondContact O-N 3.39Å; V141-L148 HydrophobicContact CG2-CD1 3.93Å; V141-W151 WeakPolarHBondContact O-CZ2 3.39Å; V141-W151 PolarHBondContact O-NE1 2.96Å
142K94Very high94.5Very high1 Ų118.8 Ų18.80%0.00411%0.108CC..Hα-helixtrans-70.2-45.2-179.1-77.3-73-167.4167.90113.8F58 T89 A138 F139 P144 L172F58-K142 HydrophobicContact CE2-CD 4.25Å; F58-K142 HydrophobicContact CE2-CG 3.72Å; F58-K142 HydrophobicContact CZ-CD 4.14Å; F58-K142 HydrophobicContact CZ-CG 3.46Å; F58-K142 VanDerWaalsContact CZ-CG 3.46Å; T89-K142 HydrophobicContact CG2-CD 3.78Å; T89-K142 VanDerWaalsContact CG2-CE 3.48Å; T89-K142 HydrophobicContact CG2-CG 4.45Å; A138-K142 PolarHBondContact O-N 3Å; F139-K142 PolarHBondContact O-N 3.35Å; K142-P144 VanDerWaalsContact O-CD 3.26Å; K142-P144 WeakPolarHBondContact O-CD 3.47Å; K142-L172 WeakPolarHBondContact O-CD2 3.41Å
143M90.4Very high94.4Very high0 Ų019.3 Ų19.30%011%0.111CC..THydrogen-bonded Turntrans-82.498.4159.3-81.2-165.5-59.800105.7F139 M140 L145 L172 G176 M179 V233 V234 I237F139-M143 WeakPolarHBondContact O-CB 3.29Å; F139-M143 PolarHBondContact O-N 2.92Å; M140-M143 CarbonylContact C-O 3.59Å; M143-L145 PolarHBondContact O-N 2.83Å; M143-L172 VanDerWaalsContact CG-O 3.31Å; M143-L172 WeakPolarHBondContact CG-O 3.15Å; M143-G176 VanDerWaalsContact CE-CA 3.43Å; M143-G176 WeakPolarHBondContact SD-CA 3.45Å; M143-G176 PolarHBondContact SD-N 2.64Å; M143-M179 HydrophobicContact CE-CB 4.41Å; M143-M179 HydrophobicContact CE-CG 3.9Å; M143-M179 HydrophobicContact CE-SD 3.38Å; M143-M179 WeakPolarHBondContact CE-SD 3.09Å; M143-V233 HydrophobicContact SD-CB 4.37Å; M143-V233 HydrophobicContact SD-CG1 3.74Å; M143-V234 HydrophobicContact CB-CG2 3.96Å; M143-V234 HydrophobicContact CE-CG2 3.82Å; M143-V234 HydrophobicContact SD-CG2 3.96Å; M143-I237 HydrophobicContact CE-CD1 3.89Å; M143-I237 HydrophobicContact SD-CD1 4.22Å
144P86.7Confident94.3Very high1 Ų120.5 Ų20.51%0.00611%0.114CC..THydrogen-bonded Turntrans-58.395-167.230.8-43.7000110.6K142 H149 L152 L172 I227K142-P144 VanDerWaalsContact O-CD 3.26Å; K142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-H149 HydrophobicContact CB-CB 3.66Å; P144-L152 HydrophobicContact CB-CD1 3.98Å; P144-L152 HydrophobicContact CG-CD1 3.49Å; P144-L152 VanDerWaalsContact CG-CD1 3.49Å; P144-L172 HydrophobicContact CG-CD2 4.5Å; P144-I227 HydrophobicContact CB-CG1 4.25Å; P144-I227 HydrophobicContact CB-CG2 4.49Å; P144-I227 HydrophobicContact CG-CB 4.38Å; P144-I227 HydrophobicContact CG-CG1 3.91Å; P144-I227 HydrophobicContact CG-CG2 4.26Å
145L93Very high94.2Very high7 Ų719.6 Ų19.64%0.03711%0.106CC..  trans-62.4145171.3-172.778.9000107.9M140 M143 G147 L148 H149 F197 L200 V234M140-L145 HydrophobicContact CB-CB 4.29Å; M140-L145 WeakPolarHBondContact O-CB 3.28Å; M140-L145 PolarHBondContact O-N 3.04Å; M140-L145 HydrophobicContact SD-CD1 4.2Å; M143-L145 PolarHBondContact O-N 2.83Å; L145-G147 PolarHBondContact O-N 2.95Å; L145-L148 HydrophobicContact CB-CD1 4.47Å; L145-L148 CarbonylContact O-C 3.56Å; L145-L148 WeakPolarHBondContact O-CA 3.34Å; L145-L148 PolarHBondContact O-N 2.78Å; L145-H149 PolarHBondContact O-N 3.3Å; L145-F197 HydrophobicContact CD1-CD1 4.48Å; L145-F197 HydrophobicContact CD2-CD1 3.59Å; L145-F197 HydrophobicContact CD2-CE1 4.03Å; L145-L200 HydrophobicContact CD1-CB 4.4Å; L145-L200 HydrophobicContact CD2-CD1 4.34Å; L145-V234 HydrophobicContact CD1-CG1 4.16Å
146Y93.5Very high94.1Very high58 Ų5819.5 Ų19.523%0.22711%0.106CC..THydrogen-bonded Turntrans-54.1137.1169.2-169.6-103.7000110.5L148 H149 L200 G204 M207 T208Y146-L148 VanDerWaalsContact C-N 3.35Å; Y146-L148 PolarHBondContact O-N 3.14Å; Y146-H149 AromaticContact CD2-CE1 3.58Å; Y146-H149 AromaticContact CD2-ND1 3.91Å; Y146-H149 AromaticContact CE2-CE1 3.73Å; Y146-L200 WeakPolarHBondContact CB-O 3.41Å; Y146-L200 HydrophobicContact CD1-CD2 4.21Å; Y146-G204 VanDerWaalsContact CG-CA 3.41Å; Y146-M207 HydrophobicContact CE2-CB 3.82Å; Y146-T208 HydrophobicContact CD2-CG2 4.04Å; Y146-T208 HydrophobicContact CE2-CG2 4.26Å
147G94.3Very high94Very high46 Ų4620.1 Ų20.147%0.47411%0.11SC..THydrogen-bonded Turntrans89-42.2-163.900000115.2L145 H149L145-G147 PolarHBondContact O-N 2.95Å; G147-H149 PolarHBondContact N-ND1 3.24Å
148L95.4Very high94Very high45 Ų4518.1 Ų18.124%0.23610%0.1CC..THydrogen-bonded Turntrans-97.10.7179.7-60.3175.2000113.8Y88 M137 V141 L145 Y146 L150 W151Y88-L148 WeakPolarHBondContact CD1-O 3.43Å; Y88-L148 WeakPolarHBondContact CE1-O 3.33Å; M137-L148 HydrophobicContact CE-CD1 3.8Å; V141-L148 HydrophobicContact CG2-CD1 3.93Å; L145-L148 HydrophobicContact CB-CD1 4.47Å; L145-L148 CarbonylContact O-C 3.56Å; L145-L148 WeakPolarHBondContact O-CA 3.34Å; L145-L148 PolarHBondContact O-N 2.78Å; Y146-L148 VanDerWaalsContact C-N 3.35Å; Y146-L148 PolarHBondContact O-N 3.14Å; L148-L150 PolarHBondContact O-N 3.38Å; L148-W151 PolarHBondContact O-NE1 3.14Å
149H96.2Very high93.9Very high14 Ų1418.2 Ų18.27%0.06510%0.1CC..THydrogen-bonded Turntrans-79.6-8.1-172.765-80.1000115.8P144 L145 Y146 G147 W151 L152 P153 I227P144-H149 HydrophobicContact CB-CB 3.66Å; L145-H149 PolarHBondContact O-N 3.3Å; Y146-H149 AromaticContact CD2-CE1 3.58Å; Y146-H149 AromaticContact CD2-ND1 3.91Å; Y146-H149 AromaticContact CE2-CE1 3.73Å; G147-H149 PolarHBondContact N-ND1 3.24Å; H149-W151 PolarHBondContact O-N 3.35Å; H149-W151 VanDerWaalsContact O-N 3.09Å; H149-L152 WeakPolarHBondContact O-CB 3.36Å; H149-L152 PolarHBondContact O-N 3.15Å; H149-P153 WeakPolarHBondContact O-CD 3.31Å; H149-I227 HydrophobicContact CB-CD1 3.83Å; H149-I227 HydrophobicContact CB-CG1 4.19Å; H149-I227 HydrophobicContact CB-CG2 3.93Å
150L95.4Very high93.9Very high81 Ų8118.3 Ų18.342%0.42410%0.101SC..THydrogen-bonded Turntrans-61.4-24.2-169-68.2176.3000114.6L148 L152L148-L150 PolarHBondContact O-N 3.38Å; L150-L152 VanDerWaalsContact C-N 3.28Å; L150-L152 PolarHBondContact O-N 3.4Å
151W95.9Very high93.9Very high2 Ų218.6 Ų18.61%0.00810%0.103CC..Hα-helixtrans-68-30.2175.468.1-95.6000112F85 Y88 V141 L148 H149 A155 L172F85-W151 HydrophobicContact CD2-CD2 4.31Å; F85-W151 AromaticContact CD2-CE3 3.5Å; F85-W151 HydrophobicContact CD2-CE3 3.5Å; F85-W151 HydrophobicContact CD2-CH2 4.26Å; F85-W151 AromaticContact CD2-CZ3 3.47Å; F85-W151 HydrophobicContact CD2-CZ3 3.47Å; F85-W151 VanDerWaalsContact CD2-CZ3 3.47Å; F85-W151 HydrophobicContact CE2-CE3 4.2Å; F85-W151 HydrophobicContact CE2-CH2 4.15Å; F85-W151 AromaticContact CE2-CZ3 3.69Å; F85-W151 HydrophobicContact CE2-CZ3 3.69Å; F85-W151 HydrophobicContact CG-CE3 4.48Å; Y88-W151 HydrophobicContact CD1-CB 4.5Å; Y88-W151 AromaticContact CD1-CD1 3.56Å; Y88-W151 HydrophobicContact CD1-CG 4.37Å; Y88-W151 HydrophobicContact CG-CB 4.26Å; Y88-W151 AromaticContact CG-CD1 3.91Å; Y88-W151 HydrophobicContact CG-CG 4.37Å; V141-W151 WeakPolarHBondContact O-CZ2 3.39Å; V141-W151 PolarHBondContact O-NE1 2.96Å; L148-W151 PolarHBondContact O-NE1 3.14Å; H149-W151 PolarHBondContact O-N 3.35Å; H149-W151 VanDerWaalsContact O-N 3.09Å; W151-A155 HydrophobicContact CE3-CB 3.99Å; W151-A155 HydrophobicContact CZ3-CB 4.3Å; W151-A155 VanDerWaalsContact O-CB 3.24Å; W151-A155 WeakPolarHBondContact O-CB 3.47Å; W151-A155 PolarHBondContact O-N 3.1Å; W151-L172 HydrophobicContact CH2-CD2 3.82Å; W151-L172 HydrophobicContact CZ2-CD2 4.26Å
152L93.7Very high93.8Very high0 Ų018.3 Ų18.30%010%0.101CC..Hα-helixtrans-71-51.5-169.2-171.6164.7000112.6P144 H149 L150 K154 A155 H156 L172 A223 I227P144-L152 HydrophobicContact CB-CD1 3.98Å; P144-L152 HydrophobicContact CG-CD1 3.49Å; P144-L152 VanDerWaalsContact CG-CD1 3.49Å; H149-L152 WeakPolarHBondContact O-CB 3.36Å; H149-L152 PolarHBondContact O-N 3.15Å; L150-L152 VanDerWaalsContact C-N 3.28Å; L150-L152 PolarHBondContact O-N 3.4Å; L152-K154 PolarHBondContact O-N 3.33Å; L152-A155 PolarHBondContact O-N 3.02Å; L152-A155 VanDerWaalsContact O-N 3.17Å; L152-H156 WeakPolarHBondContact CD2-CD2 3.39Å; L152-H156 VanDerWaalsContact CG-CD2 3.46Å; L152-H156 WeakPolarHBondContact CG-CD2 3.17Å; L152-H156 PolarHBondContact O-CD2 3.3Å; L152-H156 VanDerWaalsContact O-CD2 3.3Å; L152-H156 PolarHBondContact O-N 3.11Å; L152-L172 HydrophobicContact CD1-CD1 3.97Å; L152-L172 HydrophobicContact CD1-CD2 3.5Å; L152-L172 HydrophobicContact CD1-CG 4.38Å; L152-L172 HydrophobicContact CG-CD2 4.49Å; L152-A223 HydrophobicContact CD2-CB 3.69Å; L152-I227 HydrophobicContact CB-CD1 4.41Å; L152-I227 HydrophobicContact CD1-CG1 3.89Å; L152-I227 HydrophobicContact CD2-CD1 4.21Å; L152-I227 HydrophobicContact CD2-CG1 4.11Å; L152-I227 HydrophobicContact CG-CG1 4.44Å
153P94.3Very high93.8Very high12 Ų1218.5 Ų18.58%0.07810%0.104CC..Hα-helixtrans-56.6-40.1177.3-25.635.4000111.9H149 V157 A223 Y224 I227H149-P153 WeakPolarHBondContact O-CD 3.31Å; P153-V157 WeakPolarHBondContact O-CB 3.46Å; P153-V157 WeakPolarHBondContact O-CG2 3.32Å; P153-V157 PolarHBondContact O-N 3.47Å; P153-V157 VanDerWaalsContact O-N 3.08Å; P153-A223 HydrophobicContact CB-CB 4.44Å; P153-Y224 HydrophobicContact CB-CE2 4.01Å; P153-Y224 HydrophobicContact CG-CD1 4.31Å; P153-Y224 HydrophobicContact CG-CD2 4.44Å; P153-Y224 HydrophobicContact CG-CE1 3.78Å; P153-Y224 HydrophobicContact CG-CE2 3.92Å; P153-I227 HydrophobicContact CG-CD1 4.01Å
154K92.9Very high94Very high76 Ų7618.5 Ų18.533%0.3310%0.104SC..Hα-helixtrans-65.3-49176.3-64.4179.7-178.4176.50111.9A81 Y84 L152 H156 V157 E158A81-K154 HydrophobicContact CB-CB 4Å; Y84-K154 HydrophobicContact CD2-CD 4Å; Y84-K154 HydrophobicContact CE2-CD 4.28Å; Y84-K154 HydrophobicContact CG-CD 4.32Å; Y84-K154 PolarHBondContact OH-NZ 2.99Å; L152-K154 PolarHBondContact O-N 3.33Å; K154-H156 PolarHBondContact O-N 2.86Å; K154-V157 PolarHBondContact O-N 3.04Å; K154-E158 WeakPolarHBondContact O-CB 3.25Å; K154-E158 PolarHBondContact O-N 3.33Å; K154-E158 VanDerWaalsContact O-N 3.08Å
155A93.4Very high94.5Very high0 Ų018.9 Ų18.90%011%0.105CC..Hα-helixtrans-62.3-44-178.200000112.1W151 L152 A159W151-A155 HydrophobicContact CE3-CB 3.99Å; W151-A155 HydrophobicContact CZ3-CB 4.3Å; W151-A155 VanDerWaalsContact O-CB 3.24Å; W151-A155 WeakPolarHBondContact O-CB 3.47Å; W151-A155 PolarHBondContact O-N 3.1Å; L152-A155 PolarHBondContact O-N 3.02Å; L152-A155 VanDerWaalsContact O-N 3.17Å; A155-A159 WeakPolarHBondContact O-CB 3.34Å; A155-A159 PolarHBondContact O-N 3.38Å
156H94.1Very high94.7Very high0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-71-39.5179.6-82-88000113.6L152 K154 E158 S164 L167 A168 A223 F263L152-H156 WeakPolarHBondContact CD2-CD2 3.39Å; L152-H156 VanDerWaalsContact CG-CD2 3.46Å; L152-H156 WeakPolarHBondContact CG-CD2 3.17Å; L152-H156 PolarHBondContact O-CD2 3.3Å; L152-H156 VanDerWaalsContact O-CD2 3.3Å; L152-H156 PolarHBondContact O-N 3.11Å; K154-H156 PolarHBondContact O-N 2.86Å; H156-E158 VanDerWaalsContact C-N 3.32Å; H156-S164 PolarHBondContact CE1-O 2.91Å; H156-L167 VanDerWaalsContact CE1-CB 3.44Å; H156-L167 WeakPolarHBondContact CE1-CB 3.37Å; H156-A168 PolarHBondContact CE1-N 3.42Å; H156-A223 HydrophobicContact CB-CB 4.02Å; H156-F263 HydrophobicContact CB-CE1 4.1Å; H156-F263 HydrophobicContact CB-CZ 3.9Å; H156-F263 AromaticContact CE1-CE2 3.94Å; H156-F263 AromaticContact CG-CZ 3.74Å; H156-F263 AromaticContact ND1-CE1 3.96Å; H156-F263 AromaticContact ND1-CE2 3.44Å; H156-F263 WeakPolarHBondContact ND1-CE2 3.22Å; H156-F263 AromaticContact ND1-CZ 3.23Å; H156-F263 WeakPolarHBondContact ND1-CZ 3.28Å
157V93.1Very high94.6Very high15 Ų1516.3 Ų16.39%0.09110%0.096CC..Hα-helixtrans-68.8-36.4-177.6169.70000110.7P153 K154 K219 R276P153-V157 WeakPolarHBondContact O-CB 3.46Å; P153-V157 WeakPolarHBondContact O-CG2 3.32Å; P153-V157 PolarHBondContact O-N 3.47Å; P153-V157 VanDerWaalsContact O-N 3.08Å; K154-V157 PolarHBondContact O-N 3.04Å; V157-K219 HydrophobicContact CG2-CB 4.03Å; V157-R276 PolarHBondContact O-NH1 3.28Å
158E93.9Very high94.5Very high14 Ų1414.1 Ų14.17%0.0657%0.073CC..Hα-helixtrans-93.7-16.5-178-61.6-48.8141.300115.8G73 Q75 E77 R78 A81 K154 H156 R276G73-E158 WeakPolarHBondContact CA-O 3.4Å; Q75-E158 WeakPolarHBondContact CB-OE2 3.47Å; Q75-E158 WeakPolarHBondContact CG-OE2 3.3Å; E77-E158 HydrophobicContact CB-CG 4.2Å; R78-E158 HydrophobicContact CB-CB 4.2Å; A81-E158 HydrophobicContact CB-CB 4.07Å; A81-E158 HydrophobicContact CB-CG 4.22Å; K154-E158 WeakPolarHBondContact O-CB 3.25Å; K154-E158 PolarHBondContact O-N 3.33Å; K154-E158 VanDerWaalsContact O-N 3.08Å; H156-E158 VanDerWaalsContact C-N 3.32Å; E158-R276 IonicContact OE1-CZ 3.55Å; E158-R276 IonicContact OE1-NH1 2.79Å; E158-R276 PolarHBondContact OE1-NH1 3.49Å; E158-R276 IonicContact OE1-NH2 3.24Å; E158-R276 PolarHBondContact OE1-NH2 3.2Å; E158-R276 IonicContact OE2-NH1 3.55Å
159A94.4Very high94.4Very high2 Ų212 Ų122%0.0176%0.062CC..SBendtrans-66.4148.3172.900000112.4I69 A155 L167 K219I69-A159 HydrophobicContact CG1-CB 4.06Å; A155-A159 WeakPolarHBondContact O-CB 3.34Å; A155-A159 PolarHBondContact O-N 3.38Å; A159-L167 HydrophobicContact CB-CD1 4.12Å; A159-K219 PolarHBondContact O-NZ 2.94Å
160P95.1Very high94.4Very high5 Ų511.3 Ų11.33%0.0326%0.059CC..  trans-62.8165.4162.229.8-34.8000110.3Y31 I68 W72 A162 G163 S164Y31-P160 HydrophobicContact CE2-CG 4.4Å; I68-P160 HydrophobicContact CG2-CG 3.57Å; W72-P160 HydrophobicContact CB-CB 4.47Å; W72-P160 HydrophobicContact CB-CG 4.1Å; W72-P160 WeakPolarHBondContact O-CB 3.37Å; P160-A162 PolarHBondContact O-N 3.12Å; P160-G163 WeakPolarHBondContact O-CA 3.36Å; P160-G163 PolarHBondContact O-N 3.45Å; P160-S164 PolarHBondContact O-N 3.33Å
161I95.9Very high94.4Very high5 Ų57.6 Ų7.63%0.0264%0.04CC..Hα-helixtrans-54.3-48.4-174.1-176.350.6000113.4A15 G163 S164 M165 F263 N267A15-I161 HydrophobicContact CB-CG1 3.9Å; A15-I161 HydrophobicContact CB-CG2 4.11Å; A15-I161 WeakPolarHBondContact O-CG2 3.32Å; I161-G163 VanDerWaalsContact C-N 3.28Å; I161-G163 PolarHBondContact O-N 2.97Å; I161-S164 WeakPolarHBondContact CA-OG 3.39Å; I161-S164 PolarHBondContact O-N 3Å; I161-S164 VanDerWaalsContact O-N 3.17Å; I161-S164 PolarHBondContact O-OG 2.92Å; I161-M165 HydrophobicContact CD1-CG 3.93Å; I161-M165 HydrophobicContact CD1-SD 4.12Å; I161-M165 HydrophobicContact CG1-CG 4.34Å; I161-M165 HydrophobicContact CG1-SD 3.96Å; I161-M165 WeakPolarHBondContact O-CG 3.44Å; I161-M165 PolarHBondContact O-N 3.1Å; I161-F263 HydrophobicContact CD1-CB 4.07Å; I161-F263 WeakPolarHBondContact CD1-O 3.06Å; I161-N267 HydrophobicContact CB-CB 4.22Å; I161-N267 HydrophobicContact CD1-CB 3.75Å; I161-N267 HydrophobicContact CG1-CB 3.85Å
162A94.6Very high94.2Very high0 Ų07.5 Ų7.50%04%0.039CC..Hα-helixtrans-59.7-40.1177.300000112.3T12 Y31 L35 P160 M165 V166T12-A162 HydrophobicContact CG2-CB 4.4Å; Y31-A162 HydrophobicContact CE1-CB 4.38Å; Y31-A162 WeakPolarHBondContact OH-CB 3.32Å; L35-A162 HydrophobicContact CD1-CB 4.13Å; L35-A162 HydrophobicContact CD2-CB 3.93Å; P160-A162 PolarHBondContact O-N 3.12Å; A162-M165 PolarHBondContact O-N 2.92Å; A162-V166 VanDerWaalsContact O-CG2 3.29Å; A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 3.21Å
163G94.1Very high94.4Very high6 Ų67.5 Ų7.56%0.0624%0.039CC..Hα-helixtrans-60.4-50.3175.800000111P160 I161 M165 V166 L167P160-G163 WeakPolarHBondContact O-CA 3.36Å; P160-G163 PolarHBondContact O-N 3.45Å; I161-G163 VanDerWaalsContact C-N 3.28Å; I161-G163 PolarHBondContact O-N 2.97Å; G163-M165 VanDerWaalsContact C-N 3.33Å; G163-M165 PolarHBondContact O-N 3.31Å; G163-V166 PolarHBondContact O-N 3.46Å; G163-L167 VanDerWaalsContact O-CB 3.23Å; G163-L167 WeakPolarHBondContact O-CB 3.41Å; G163-L167 WeakPolarHBondContact O-CD1 3.39Å; G163-L167 WeakPolarHBondContact O-CG 3.47Å; G163-L167 PolarHBondContact O-N 2.98Å
164S94.9Very high94.4Very high0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-61.5-37.9177.864.10000113.2H156 P160 I161 A168H156-S164 PolarHBondContact CE1-O 2.91Å; P160-S164 PolarHBondContact O-N 3.33Å; I161-S164 WeakPolarHBondContact CA-OG 3.39Å; I161-S164 PolarHBondContact O-N 3Å; I161-S164 VanDerWaalsContact O-N 3.17Å; I161-S164 PolarHBondContact O-OG 2.92Å; S164-A168 VanDerWaalsContact O-CB 3.24Å; S164-A168 WeakPolarHBondContact O-CB 3.35Å; S164-A168 PolarHBondContact O-N 2.96Å
165M96.5Very high94.5Very high8 Ų83.3 Ų3.34%0.0392%0.02CC..Hα-helixtrans-66-47.8176.3-71.1172.873.400111.9L11 T12 A15 I161 A162 G163 A168 A169L11-M165 HydrophobicContact CB-CE 4.06Å; T12-M165 HydrophobicContact CG2-CB 3.96Å; T12-M165 HydrophobicContact CG2-CE 4.09Å; T12-M165 HydrophobicContact CG2-SD 4.18Å; A15-M165 HydrophobicContact CB-SD 3.73Å; I161-M165 HydrophobicContact CD1-CG 3.93Å; I161-M165 HydrophobicContact CD1-SD 4.12Å; I161-M165 HydrophobicContact CG1-CG 4.34Å; I161-M165 HydrophobicContact CG1-SD 3.96Å; I161-M165 WeakPolarHBondContact O-CG 3.44Å; I161-M165 PolarHBondContact O-N 3.1Å; A162-M165 PolarHBondContact O-N 2.92Å; G163-M165 VanDerWaalsContact C-N 3.33Å; G163-M165 PolarHBondContact O-N 3.31Å; M165-A168 PolarHBondContact O-N 2.97Å; M165-A169 WeakPolarHBondContact O-CB 3.1Å; M165-A169 PolarHBondContact O-N 3.49Å
166V96.1Very high94.6Very high10 Ų103.3 Ų3.36%0.0612%0.02CC..Hα-helixtrans-69.8-40.1-179.7-176.30000111.4L8 T12 L38 L42 A162 G163 A168 V170 L171L8-V166 HydrophobicContact CD2-CB 4.12Å; L8-V166 HydrophobicContact CD2-CG1 4.48Å; L8-V166 HydrophobicContact CD2-CG2 3.67Å; T12-V166 HydrophobicContact CG2-CG2 3.89Å; L38-V166 HydrophobicContact CD2-CB 4.02Å; L38-V166 HydrophobicContact CD2-CG1 3.46Å; L38-V166 VanDerWaalsContact CD2-CG1 3.46Å; L38-V166 HydrophobicContact CD2-CG2 4.12Å; L38-V166 HydrophobicContact CG-CG1 4.18Å; L42-V166 HydrophobicContact CD1-CG1 3.97Å; A162-V166 VanDerWaalsContact O-CG2 3.29Å; A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 3.21Å; G163-V166 PolarHBondContact O-N 3.46Å; V166-A168 VanDerWaalsContact C-N 3.34Å; V166-A168 PolarHBondContact O-N 3.42Å; V166-V170 PolarHBondContact O-N 2.67Å; V166-L171 HydrophobicContact CG1-CD1 4.15Å; V166-L171 HydrophobicContact CG1-CG 4.31Å; V166-L171 PolarHBondContact O-N 3.23Å; V166-L171 VanDerWaalsContact O-N 3.14Å
167L93.4Very high94.7Very high1 Ų14.8 Ų4.81%0.0053%0.026CC..Iπ-helixtrans-53.7-53.5172.1-76.5161.9000110.4I69 F85 H156 A159 G163 L171 L172I69-L167 HydrophobicContact CD1-CD1 4.04Å; I69-L167 HydrophobicContact CG1-CD1 4.4Å; F85-L167 HydrophobicContact CE2-CD2 4.03Å; F85-L167 HydrophobicContact CZ-CD2 4.15Å; H156-L167 VanDerWaalsContact CE1-CB 3.44Å; H156-L167 WeakPolarHBondContact CE1-CB 3.37Å; A159-L167 HydrophobicContact CB-CD1 4.12Å; G163-L167 VanDerWaalsContact O-CB 3.23Å; G163-L167 WeakPolarHBondContact O-CB 3.41Å; G163-L167 WeakPolarHBondContact O-CD1 3.39Å; G163-L167 WeakPolarHBondContact O-CG 3.47Å; G163-L167 PolarHBondContact O-N 2.98Å; L167-L171 HydrophobicContact CB-CD1 4.44Å; L167-L171 HydrophobicContact CD2-CB 4.42Å; L167-L171 HydrophobicContact CD2-CD1 3.57Å; L167-L171 HydrophobicContact CG-CD1 3.95Å; L167-L171 PolarHBondContact O-N 3.19Å; L167-L172 WeakPolarHBondContact O-CG 3.43Å; L167-L172 PolarHBondContact O-N 2.98Å
168A91.7Very high94.9Very high0 Ų04.1 Ų4.10%02%0.021CC..Iπ-helixtrans-68.6-50.7-175.700000110.8H156 S164 M165 V166 K173 S259 F263H156-A168 PolarHBondContact CE1-N 3.42Å; S164-A168 VanDerWaalsContact O-CB 3.24Å; S164-A168 WeakPolarHBondContact O-CB 3.35Å; S164-A168 PolarHBondContact O-N 2.96Å; M165-A168 PolarHBondContact O-N 2.97Å; V166-A168 VanDerWaalsContact C-N 3.34Å; V166-A168 PolarHBondContact O-N 3.42Å; A168-K173 PolarHBondContact O-NZ 3.33Å; A168-S259 WeakPolarHBondContact CB-OG 3.25Å; A168-F263 HydrophobicContact CB-CD2 3.83Å; A168-F263 HydrophobicContact CB-CE2 3.68Å
169A93.3Very high94.9Very high0 Ų03.8 Ų3.80%02%0.02CC..Iπ-helixtrans-71.8-38.7-169.100000113.6L8 M165 K173 G256L8-A169 HydrophobicContact CD1-CB 3.52Å; L8-A169 HydrophobicContact CD2-CB 3.97Å; L8-A169 HydrophobicContact CG-CB 4.4Å; M165-A169 WeakPolarHBondContact O-CB 3.1Å; M165-A169 PolarHBondContact O-N 3.49Å; A169-K173 VanDerWaalsContact O-CD 3.25Å; A169-K173 WeakPolarHBondContact O-CD 3.48Å; A169-K173 VanDerWaalsContact O-CE 3.3Å; A169-K173 WeakPolarHBondContact O-CE 3.44Å; A169-G256 WeakPolarHBondContact CB-O 3.01Å
170V95.4Very high95Very high1 Ų15.5 Ų5.51%0.0063%0.028CC..Iπ-helixtrans-125.8-45.2-167.3-172.10000113.2T5 L8 L42 F46 V166 L172 K173 L174T5-V170 HydrophobicContact CG2-CB 4.34Å; T5-V170 HydrophobicContact CG2-CG1 3.48Å; T5-V170 VanDerWaalsContact CG2-CG1 3.48Å; T5-V170 HydrophobicContact CG2-CG2 3.86Å; L8-V170 HydrophobicContact CD2-CG2 4.32Å; L42-V170 HydrophobicContact CD1-CB 4.31Å; L42-V170 HydrophobicContact CD1-CG1 3.93Å; L42-V170 HydrophobicContact CD2-CG1 3.7Å; L42-V170 HydrophobicContact CG-CG1 4.32Å; F46-V170 HydrophobicContact CE2-CG1 3.64Å; F46-V170 HydrophobicContact CZ-CG1 3.84Å; V166-V170 PolarHBondContact O-N 2.67Å; V170-L172 PolarHBondContact O-N 3.25Å; V170-K173 WeakPolarHBondContact O-CA 3.43Å; V170-K173 WeakPolarHBondContact O-CB 3.38Å; V170-K173 PolarHBondContact O-N 3.37Å; V170-L174 PolarHBondContact O-N 3.11Å
171L95.1Very high94.8Very high2 Ų29.3 Ų9.31%0.014%0.042CC..Iπ-helixtrans-67.2-35.3-170.1-67.7164.3000112.9L42 T65 V166 L167 K173 L174L42-L171 HydrophobicContact CD2-CD2 4.02Å; T65-L171 HydrophobicContact CG2-CD1 3.26Å; T65-L171 HydrophobicContact CG2-CD2 4.4Å; T65-L171 HydrophobicContact CG2-CG 4.48Å; V166-L171 HydrophobicContact CG1-CD1 4.15Å; V166-L171 HydrophobicContact CG1-CG 4.31Å; V166-L171 PolarHBondContact O-N 3.23Å; V166-L171 VanDerWaalsContact O-N 3.14Å; L167-L171 HydrophobicContact CB-CD1 4.44Å; L167-L171 HydrophobicContact CD2-CB 4.42Å; L167-L171 HydrophobicContact CD2-CD1 3.57Å; L167-L171 HydrophobicContact CG-CD1 3.95Å; L167-L171 PolarHBondContact O-N 3.19Å; L171-K173 PolarHBondContact O-N 3.04Å; L171-L174 HydrophobicContact CD2-CD1 3.78Å; L171-L174 WeakPolarHBondContact O-CB 3.42Å; L171-L174 PolarHBondContact O-N 3.3Å
172L93.2Very high94.6Very high1 Ų19.3 Ų9.31%0.0054%0.042CC..Hα-helixtrans-63.3-33171.5-58.3177.6000112K142 M143 P144 W151 L152 L167 V170 L174 G175 M230K142-L172 WeakPolarHBondContact O-CD2 3.41Å; M143-L172 VanDerWaalsContact CG-O 3.31Å; M143-L172 WeakPolarHBondContact CG-O 3.15Å; P144-L172 HydrophobicContact CG-CD2 4.5Å; W151-L172 HydrophobicContact CH2-CD2 3.82Å; W151-L172 HydrophobicContact CZ2-CD2 4.26Å; L152-L172 HydrophobicContact CD1-CD1 3.97Å; L152-L172 HydrophobicContact CD1-CD2 3.5Å; L152-L172 HydrophobicContact CD1-CG 4.38Å; L152-L172 HydrophobicContact CG-CD2 4.49Å; L167-L172 WeakPolarHBondContact O-CG 3.43Å; L167-L172 PolarHBondContact O-N 2.98Å; V170-L172 PolarHBondContact O-N 3.25Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 3.44Å; L172-G175 PolarHBondContact O-N 2.96Å; L172-M230 HydrophobicContact CB-CG 4.34Å; L172-M230 HydrophobicContact CB-SD 4.29Å; L172-M230 HydrophobicContact CD1-CG 4.21Å
173K96.6Very high94.3Very high0 Ų010 Ų100%05%0.046CC..Hα-helixtrans-76.8-19.9-176.6-73.160.4168.41780112.1L1 A168 A169 V170 L171 G175 G176 Y177 M230 M252 H255L1-K173 HydrophobicContact CD1-CB 4.26Å; L1-K173 HydrophobicContact CD2-CB 3.8Å; L1-K173 HydrophobicContact CD2-CG 3.97Å; A168-K173 PolarHBondContact O-NZ 3.33Å; A169-K173 VanDerWaalsContact O-CD 3.25Å; A169-K173 WeakPolarHBondContact O-CD 3.48Å; A169-K173 VanDerWaalsContact O-CE 3.3Å; A169-K173 WeakPolarHBondContact O-CE 3.44Å; V170-K173 WeakPolarHBondContact O-CA 3.43Å; V170-K173 WeakPolarHBondContact O-CB 3.38Å; V170-K173 PolarHBondContact O-N 3.37Å; L171-K173 PolarHBondContact O-N 3.04Å; K173-G175 PolarHBondContact O-N 2.99Å; K173-G176 PolarHBondContact O-N 2.93Å; K173-Y177 WeakPolarHBondContact O-CB 3.04Å; K173-Y177 PolarHBondContact O-N 3.17Å; K173-M230 HydrophobicContact CD-SD 4.31Å; K173-M252 HydrophobicContact CB-SD 4.19Å; K173-M252 WeakPolarHBondContact CE-O 3.33Å; K173-M252 HydrophobicContact CG-CB 3.78Å; K173-M252 HydrophobicContact CG-CG 3.93Å; K173-M252 HydrophobicContact CG-SD 4.07Å; K173-H255 PolarHBondContact NZ-CD2 3.26Å
174L95.1Very high93.9Very high0 Ų013.4 Ų13.40%06%0.063CC..Hα-helixtrans-59.4-36.5169.9-70.5174.4000111.5L42 T45 F46 F58 T61 V170 L171 L172 G178L42-L174 HydrophobicContact CD2-CD1 3.79Å; L42-L174 HydrophobicContact CD2-CD2 4.18Å; L42-L174 HydrophobicContact CD2-CG 4.2Å; T45-L174 HydrophobicContact CG2-CD2 4.33Å; T45-L174 WeakPolarHBondContact OG1-CD2 3.21Å; F46-L174 HydrophobicContact CE1-CD2 3.74Å; F46-L174 HydrophobicContact CE2-CD2 4.08Å; F46-L174 HydrophobicContact CZ-CD2 3.48Å; F46-L174 VanDerWaalsContact CZ-CD2 3.48Å; F46-L174 HydrophobicContact CZ-CG 4.23Å; F58-L174 HydrophobicContact CD2-CB 4.09Å; F58-L174 HydrophobicContact CD2-CD1 4.29Å; F58-L174 HydrophobicContact CE2-CB 4.14Å; T61-L174 HydrophobicContact CG2-CD1 4.24Å; V170-L174 PolarHBondContact O-N 3.11Å; L171-L174 HydrophobicContact CD2-CD1 3.78Å; L171-L174 WeakPolarHBondContact O-CB 3.42Å; L171-L174 PolarHBondContact O-N 3.3Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 3.44Å; L174-G178 PolarHBondContact O-N 3.48Å
175G94.9Very high93.7Very high0 Ų014 Ų140%07%0.066CC..Hα-helixtrans-61-50.2174.800000111.7F139 L172 K173 G178 M179F139-G175 WeakPolarHBondContact CB-O 3.48Å; L172-G175 PolarHBondContact O-N 2.96Å; K173-G175 PolarHBondContact O-N 2.99Å; G175-G178 PolarHBondContact O-N 3.4Å; G175-M179 PolarHBondContact O-N 2.97Å
176G95.8Very high93.4Very high0 Ų013.9 Ų13.90%07%0.065CC..Hα-helixtrans-64.3-44.4179.800000112.7M143 K173 G178 M179 M180M143-G176 VanDerWaalsContact CE-CA 3.43Å; M143-G176 WeakPolarHBondContact SD-CA 3.45Å; M143-G176 PolarHBondContact SD-N 2.64Å; K173-G176 PolarHBondContact O-N 2.93Å; G176-G178 PolarHBondContact O-N 2.72Å; G176-M179 PolarHBondContact O-N 2.9Å; G176-M180 VanDerWaalsContact O-CG 3.3Å; G176-M180 WeakPolarHBondContact O-CG 3.17Å; G176-M180 PolarHBondContact O-N 3.47Å
177Y96.4Very high93Very high31 Ų3116.2 Ų16.212%0.1228%0.077CC..Hα-helixtrans-60-44.6175.3177.5-104.6000112.2L1 F46 F54 K173 M180 R181L1-Y177 HydrophobicContact CD1-CD2 4.36Å; L1-Y177 HydrophobicContact CD1-CG 4.45Å; F46-Y177 AromaticContact CD1-CD1 3.78Å; F46-Y177 HydrophobicContact CD1-CD1 3.78Å; F46-Y177 HydrophobicContact CD1-CD2 4.14Å; F46-Y177 AromaticContact CD1-CE1 3.93Å; F46-Y177 HydrophobicContact CD1-CE1 3.93Å; F46-Y177 HydrophobicContact CD1-CE2 4.28Å; F46-Y177 AromaticContact CD1-CG 3.88Å; F46-Y177 HydrophobicContact CD1-CG 3.88Å; F46-Y177 AromaticContact CE1-CD1 3.98Å; F46-Y177 HydrophobicContact CE1-CD1 3.98Å; F46-Y177 HydrophobicContact CE1-CD2 4.43Å; F46-Y177 AromaticContact CE1-CG 3.89Å; F46-Y177 HydrophobicContact CE1-CG 3.89Å; F46-Y177 PolarHBondContact O-OH 3.06Å; F54-Y177 HydrophobicContact CD2-CD1 4.45Å; F54-Y177 HydrophobicContact CD2-CE1 4.04Å; F54-Y177 AromaticContact CE2-CD1 3.64Å; F54-Y177 HydrophobicContact CE2-CD1 3.64Å; F54-Y177 AromaticContact CE2-CE1 3.68Å; F54-Y177 HydrophobicContact CE2-CE1 3.68Å; F54-Y177 HydrophobicContact CZ-CD1 4.21Å; K173-Y177 WeakPolarHBondContact O-CB 3.04Å; K173-Y177 PolarHBondContact O-N 3.17Å; Y177-M180 PolarHBondContact O-N 2.94Å; Y177-R181 HydrophobicContact CE1-CG 4.23Å; Y177-R181 HydrophobicContact CE2-CG 4.36Å; Y177-R181 WeakPolarHBondContact O-CG 3.3Å; Y177-R181 PolarHBondContact O-N 3.41Å; Y177-R181 VanDerWaalsContact OH-CZ 3.28Å; Y177-R181 PolarHBondContact OH-NE 3.31Å; Y177-R181 PolarHBondContact OH-NH2 2.96Å
178G96.1Very high92.9Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-63.2-44.7176.900000113L174 G175 G176 M180 R181 L182L174-G178 PolarHBondContact O-N 3.48Å; G175-G178 PolarHBondContact O-N 3.4Å; G176-G178 PolarHBondContact O-N 2.72Å; G178-M180 PolarHBondContact O-N 3.06Å; G178-R181 PolarHBondContact O-N 3.15Å; G178-L182 PolarHBondContact O-N 3.28Å; G178-L182 VanDerWaalsContact O-N 3.11Å
179M95.1Very high92.9Very high8 Ų818.6 Ų18.64%0.0399%0.093CC..Hα-helixtrans-60.4-44.5174.6-73.2-163.174.400112.1T136 F139 M140 M143 G175 G176 R181 L182 T183 I237 L238T136-M179 HydrophobicContact CG2-CE 4.39Å; F139-M179 HydrophobicContact CB-CG 3.45Å; F139-M179 VanDerWaalsContact CB-CG 3.45Å; F139-M179 HydrophobicContact CB-SD 4.4Å; F139-M179 HydrophobicContact CD2-CG 4.22Å; F139-M179 HydrophobicContact CG-CG 4.01Å; M140-M179 HydrophobicContact CE-CE 3.39Å; M140-M179 HydrophobicContact CE-SD 3.7Å; M140-M179 HydrophobicContact SD-CE 4.44Å; M140-M179 HydrophobicContact SD-SD 3.98Å; M143-M179 HydrophobicContact CE-CB 4.41Å; M143-M179 HydrophobicContact CE-CG 3.9Å; M143-M179 HydrophobicContact CE-SD 3.38Å; M143-M179 WeakPolarHBondContact CE-SD 3.09Å; G175-M179 PolarHBondContact O-N 2.97Å; G176-M179 PolarHBondContact O-N 2.9Å; M179-R181 VanDerWaalsContact C-N 3.27Å; M179-R181 PolarHBondContact O-N 3.06Å; M179-L182 PolarHBondContact O-N 3.21Å; M179-T183 WeakPolarHBondContact O-CG2 3.33Å; M179-T183 PolarHBondContact O-N 3.49Å; M179-T183 VanDerWaalsContact O-N 3.07Å; M179-I237 HydrophobicContact CB-CD1 4.46Å; M179-I237 HydrophobicContact CB-CG2 3.68Å; M179-I237 HydrophobicContact CE-CG2 4.12Å; M179-I237 HydrophobicContact SD-CG2 4.3Å; M179-L238 HydrophobicContact CE-CD2 3.83Å; M179-L238 HydrophobicContact CE-CG 4.44Å
180M94.9Very high92.9Very high37 Ų3718.9 Ų18.918%0.1829%0.094CC..Hα-helixtrans-61-34.2177.3-71.8179.8-176.100112.7G176 Y177 G178 T183 I237 F245 A248 V249 M252G176-M180 VanDerWaalsContact O-CG 3.3Å; G176-M180 WeakPolarHBondContact O-CG 3.17Å; G176-M180 PolarHBondContact O-N 3.47Å; Y177-M180 PolarHBondContact O-N 2.94Å; G178-M180 PolarHBondContact O-N 3.06Å; M180-T183 PolarHBondContact O-OG1 3.23Å; M180-T183 VanDerWaalsContact O-OG1 3.06Å; M180-I237 HydrophobicContact CE-CD1 3.86Å; M180-I237 HydrophobicContact CE-CG1 3.68Å; M180-I237 HydrophobicContact CG-CD1 4.17Å; M180-I237 HydrophobicContact CG-CG1 4.08Å; M180-F245 HydrophobicContact CE-CD1 4.11Å; M180-F245 HydrophobicContact CG-CD1 3.94Å; M180-F245 HydrophobicContact CG-CE1 3.89Å; M180-F245 HydrophobicContact SD-CD1 4.36Å; M180-A248 HydrophobicContact CE-CB 3.49Å; M180-A248 VanDerWaalsContact CE-CB 3.49Å; M180-V249 HydrophobicContact CE-CG2 3.77Å; M180-V249 HydrophobicContact SD-CG2 3.85Å; M180-M252 HydrophobicContact CE-CE 3.42Å; M180-M252 VanDerWaalsContact CE-CE 3.42Å; M180-M252 HydrophobicContact SD-CE 4.02Å
181R92.9Very high92.6Very high86 Ų8625.7 Ų25.733%0.32512%0.124SC..Hα-helixtrans-70.7-36.1175.9-71.3-67.4-165.9169.70.4112.3L51 I112 Y177 G178 M179L51-R181 HydrophobicContact CD2-CB 4.43Å; I112-R181 HydrophobicContact CD1-CG 4.5Å; Y177-R181 HydrophobicContact CE1-CG 4.23Å; Y177-R181 HydrophobicContact CE2-CG 4.36Å; Y177-R181 WeakPolarHBondContact O-CG 3.3Å; Y177-R181 PolarHBondContact O-N 3.41Å; Y177-R181 VanDerWaalsContact OH-CZ 3.28Å; Y177-R181 PolarHBondContact OH-NE 3.31Å; Y177-R181 PolarHBondContact OH-NH2 2.96Å; G178-R181 PolarHBondContact O-N 3.15Å; M179-R181 VanDerWaalsContact C-N 3.27Å; M179-R181 PolarHBondContact O-N 3.06Å
182L91.6Very high92.4Very high4 Ų431.6 Ų31.62%0.02115%0.151CC..Hα-helixtrans-86.5-12.4-176.4-67.9178.9000114.5L51 L96 Y135 F139 G178 M179 L184 I185 L186L51-L182 HydrophobicContact CD1-CD2 3.77Å; L51-L182 HydrophobicContact CD2-CD2 4.11Å; L96-L182 HydrophobicContact CD1-CD1 4.04Å; Y135-L182 HydrophobicContact CD1-CD1 4.01Å; Y135-L182 HydrophobicContact CD1-CD2 4.35Å; Y135-L182 HydrophobicContact CG-CD1 4.41Å; F139-L182 HydrophobicContact CD2-CD1 4.1Å; F139-L182 HydrophobicContact CE2-CD1 3.21Å; F139-L182 HydrophobicContact CE2-CG 4.36Å; F139-L182 HydrophobicContact CZ-CD1 3.85Å; G178-L182 PolarHBondContact O-N 3.28Å; G178-L182 VanDerWaalsContact O-N 3.11Å; M179-L182 PolarHBondContact O-N 3.21Å; L182-L184 PolarHBondContact O-N 2.74Å; L182-I185 HydrophobicContact CD2-CD1 4.02Å; L182-I185 PolarHBondContact O-N 3.44Å; L182-L186 HydrophobicContact CB-CD1 4.04Å; L182-L186 HydrophobicContact CB-CG 4.5Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.29Å; L182-L186 PolarHBondContact O-N 3.3Å
183T87.5Confident92.5Very high16 Ų1633.4 Ų33.410%0.09816%0.16CC..Hα-helixtrans-56.3-27.7178.5560000113.1M179 M180 I185 L186 N187 I237 Q240 F245M179-T183 WeakPolarHBondContact O-CG2 3.33Å; M179-T183 PolarHBondContact O-N 3.49Å; M179-T183 VanDerWaalsContact O-N 3.07Å; M180-T183 PolarHBondContact O-OG1 3.23Å; M180-T183 VanDerWaalsContact O-OG1 3.06Å; T183-I185 VanDerWaalsContact C-N 3.34Å; T183-I185 PolarHBondContact O-N 2.97Å; T183-L186 PolarHBondContact O-N 3.41Å; T183-N187 VanDerWaalsContact O-CG 3.22Å; T183-N187 PolarHBondContact O-ND2 3.45Å; T183-N187 PolarHBondContact O-OD1 3.49Å; T183-I237 HydrophobicContact CG2-CG2 4.4Å; T183-Q240 HydrophobicContact CG2-CG 4.34Å; T183-F245 HydrophobicContact CG2-CE1 4.33Å; T183-F245 HydrophobicContact CG2-CZ 3.95Å
184L86.1Confident92.4Very high77 Ų7733.8 Ų33.840%0.40316%0.163SC..Hα-helixtrans-61.1-39.6175.2-66.2169.8000112.8T116 L182T116-L184 HydrophobicContact CG2-CD1 3.75Å; L182-L184 PolarHBondContact O-N 2.74Å
185I89.1Confident92.5Very high12 Ų1241.1 Ų41.16%0.06219%0.192CC..Hα-helixtrans-81.9-31.6-178.5-57.3175.8000110.7L51 T103 L115 L122 Y135 L182 T183 N187L51-I185 HydrophobicContact CD1-CD1 3.75Å; T103-I185 HydrophobicContact CG2-CG2 4.47Å; L115-I185 HydrophobicContact CD1-CD1 4.07Å; L115-I185 HydrophobicContact CD2-CD1 4.12Å; L115-I185 HydrophobicContact CD2-CG1 4.23Å; L122-I185 VanDerWaalsContact CD1-O 3.26Å; L122-I185 WeakPolarHBondContact CD1-O 3.43Å; L122-I185 WeakPolarHBondContact CG-O 3.36Å; Y135-I185 HydrophobicContact CE2-CG2 4.29Å; L182-I185 HydrophobicContact CD2-CD1 4.02Å; L182-I185 PolarHBondContact O-N 3.44Å; T183-I185 VanDerWaalsContact C-N 3.34Å; T183-I185 PolarHBondContact O-N 2.97Å; I185-N187 VanDerWaalsContact C-N 3.34Å; I185-N187 PolarHBondContact O-N 2.96Å
186L90.1Very high92.5Very high6 Ų644.8 Ų44.83%0.03122%0.216CC..Hα-helixtrans-81.8-10.9-167.8-63.6169.9000114.4L122 W132 Y135 T136 L182 T183 L189 T190L122-L186 HydrophobicContact CD1-CD2 4.46Å; W132-L186 HydrophobicContact CB-CD2 4.33Å; W132-L186 HydrophobicContact CG-CD2 4.05Å; Y135-L186 HydrophobicContact CD2-CD2 3.55Å; Y135-L186 HydrophobicContact CG-CD2 3.96Å; T136-L186 HydrophobicContact CG2-CD1 3.82Å; L182-L186 HydrophobicContact CB-CD1 4.04Å; L182-L186 HydrophobicContact CB-CG 4.5Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.29Å; L182-L186 PolarHBondContact O-N 3.3Å; T183-L186 PolarHBondContact O-N 3.41Å; L186-L189 PolarHBondContact O-N 3.19Å; L186-T190 HydrophobicContact CB-CG2 3.42Å; L186-T190 VanDerWaalsContact CB-CG2 3.42Å; L186-T190 WeakPolarHBondContact O-CG2 3.43Å; L186-T190 PolarHBondContact O-N 2.96Å
187N89.2Confident92.5Very high58 Ų5845.9 Ų45.931%0.3122%0.22SC..THydrogen-bonded Turntrans-82.8147.6-176.5-72.4-5.8000111.8L122 T183 I185 T190 Q240L122-N187 PolarHBondContact N-O 3.18Å; T183-N187 VanDerWaalsContact O-CG 3.22Å; T183-N187 PolarHBondContact O-ND2 3.45Å; T183-N187 PolarHBondContact O-OD1 3.49Å; I185-N187 VanDerWaalsContact C-N 3.34Å; I185-N187 PolarHBondContact O-N 2.96Å; N187-T190 WeakPolarHBondContact OD1-CG2 3.43Å; N187-T190 PolarHBondContact OD1-OG1 3.05Å; N187-Q240 PolarHBondContact ND2-OE1 3.48Å; N187-Q240 PolarHBondContact OD1-NE2 3.06Å; N187-Q240 VanDerWaalsContact OD1-NE2 3.14Å; N187-Q240 PolarHBondContact OD1-OE1 3.07Å
188P90.8Very high92.6Very high47 Ų4746.3 Ų46.331%0.30522%0.224SC..THydrogen-bonded Turncis-87-0.8-1.134.8-36.8000115.1T190 K191P188-T190 PolarHBondContact O-N 3.36Å; P188-T190 VanDerWaalsContact O-N 3.12Å; P188-K191 WeakPolarHBondContact O-CB 3.2Å; P188-K191 PolarHBondContact O-N 3Å
189L92.2Very high92.6Very high5 Ų550.9 Ų50.93%0.02625%0.252CS..THydrogen-bonded Turntrans-56.6-30.9-173.5-162.1106.8000113.8L122 S123 N128 N129 W132 L186 K191 H192 M193L122-L189 HydrophobicContact CB-CB 4.04Å; S123-L189 VanDerWaalsContact O-CD1 3.23Å; S123-L189 WeakPolarHBondContact O-CD1 3.46Å; N128-L189 HydrophobicContact CB-CD1 4.09Å; N129-L189 WeakPolarHBondContact OD1-CD1 3.23Å; W132-L189 HydrophobicContact CB-CD2 3.43Å; W132-L189 VanDerWaalsContact CB-CD2 3.43Å; W132-L189 HydrophobicContact CG-CD2 3.69Å; L186-L189 PolarHBondContact O-N 3.19Å; L189-K191 PolarHBondContact O-N 3.48Å; L189-K191 VanDerWaalsContact O-N 3.15Å; L189-H192 PolarHBondContact O-N 3.04Å; L189-M193 HydrophobicContact CD2-CG 3.59Å; L189-M193 HydrophobicContact CG-CG 4.01Å; L189-M193 PolarHBondContact O-N 3.33Å
190T92.4Very high92.7Very high5 Ų553.6 Ų53.63%0.03127%0.267CS..Hα-helixtrans-46.8-38.7172.247.90000113.4L186 N187 P188 H192 M193 A194L186-T190 HydrophobicContact CB-CG2 3.42Å; L186-T190 VanDerWaalsContact CB-CG2 3.42Å; L186-T190 WeakPolarHBondContact O-CG2 3.43Å; L186-T190 PolarHBondContact O-N 2.96Å; N187-T190 WeakPolarHBondContact OD1-CG2 3.43Å; N187-T190 PolarHBondContact OD1-OG1 3.05Å; P188-T190 PolarHBondContact O-N 3.36Å; P188-T190 VanDerWaalsContact O-N 3.12Å; T190-H192 PolarHBondContact O-N 2.69Å; T190-M193 PolarHBondContact O-N 2.96Å; T190-A194 WeakPolarHBondContact O-CB 3.32Å; T190-A194 PolarHBondContact O-N 3.39Å
191K89.9Confident92.8Very high145 Ų14551.9 Ų51.963%0.6326%0.258SS*.Hα-helixtrans-59.3-30.9-178.2-66.8180-179.1175.30112.7P188 L189 Y195P188-K191 WeakPolarHBondContact O-CB 3.2Å; P188-K191 PolarHBondContact O-N 3Å; L189-K191 PolarHBondContact O-N 3.48Å; L189-K191 VanDerWaalsContact O-N 3.15Å; K191-Y195 WeakPolarHBondContact O-CE2 3.45Å
192H91.1Very high93Very high126 Ų12651.5 Ų51.558%0.58326%0.262SS*.Hα-helixtrans-97.1-41178.9-58.6-59.7000112L189 T190 A194 Y195L189-H192 PolarHBondContact O-N 3.04Å; T190-H192 PolarHBondContact O-N 2.69Å; H192-A194 PolarHBondContact O-N 3.27Å; H192-Y195 WeakPolarHBondContact O-CD2 3.48Å
193M94.7Very high93.3Very high39 Ų3958.2 Ų58.219%0.19229%0.287CS..Hα-helixtrans-76.9-19.4-175.4-67.9-62.4-72.800113.9N129 W132 L133 L189 T190 Y195 P196N129-M193 HydrophobicContact CB-CE 3.91Å; N129-M193 HydrophobicContact CB-SD 4.15Å; W132-M193 HydrophobicContact CD2-CB 3.67Å; W132-M193 HydrophobicContact CD2-CG 4.25Å; W132-M193 HydrophobicContact CE3-CB 3.8Å; W132-M193 HydrophobicContact CE3-CE 4.18Å; W132-M193 HydrophobicContact CE3-CG 4.43Å; W132-M193 HydrophobicContact CG-CB 4.26Å; W132-M193 HydrophobicContact CG-CG 4.41Å; W132-M193 HydrophobicContact CH2-CB 4.1Å; W132-M193 HydrophobicContact CZ2-CB 3.95Å; W132-M193 HydrophobicContact CZ3-CB 4.03Å; L133-M193 HydrophobicContact CD1-CE 4.42Å; L133-M193 HydrophobicContact CG-CE 4.23Å; L189-M193 HydrophobicContact CD2-CG 3.59Å; L189-M193 HydrophobicContact CG-CG 4.01Å; L189-M193 PolarHBondContact O-N 3.33Å; T190-M193 PolarHBondContact O-N 2.96Å; M193-Y195 VanDerWaalsContact C-N 3.35Å; M193-Y195 PolarHBondContact O-N 3.47Å; M193-P196 WeakPolarHBondContact O-CD 3.11Å
194A95.3Very high93.7Very high7 Ų757.5 Ų57.56%0.05828%0.283CS..Hα-helixtrans-69.7-26.3-177.600000114.1T190 H192 F197 L198 L238T190-A194 WeakPolarHBondContact O-CB 3.32Å; T190-A194 PolarHBondContact O-N 3.39Å; H192-A194 PolarHBondContact O-N 3.27Å; A194-F197 PolarHBondContact O-N 3.17Å; A194-F197 VanDerWaalsContact O-N 3.14Å; A194-L198 WeakPolarHBondContact O-CB 3.33Å; A194-L198 PolarHBondContact O-N 3.02Å; A194-L238 HydrophobicContact CB-CB 4.19Å; A194-L238 HydrophobicContact CB-CD2 4.01Å
195Y95.6Very high94.2Very high155 Ų15556.3 Ų56.361%0.60828%0.276SS*.Hα-helixtrans-55.3-48.5-169.1-73.5-72000114.8K191 H192 M193 F197 L198 V199K191-Y195 WeakPolarHBondContact O-CE2 3.45Å; H192-Y195 WeakPolarHBondContact O-CD2 3.48Å; M193-Y195 VanDerWaalsContact C-N 3.35Å; M193-Y195 PolarHBondContact O-N 3.47Å; Y195-F197 VanDerWaalsContact C-N 3.3Å; Y195-F197 PolarHBondContact O-N 3.37Å; Y195-L198 PolarHBondContact O-N 3.39Å; Y195-V199 WeakPolarHBondContact O-CG2 3.11Å; Y195-V199 PolarHBondContact O-N 3.14Å
196P96Very high94.6Very high77 Ų7760.1 Ų60.150%0.530%0.296SS..Hα-helixtrans-59.8-42179.1-23.134.6000112.2M193 V199 L200M193-P196 WeakPolarHBondContact O-CD 3.11Å; P196-V199 PolarHBondContact O-N 3.33Å; P196-L200 WeakPolarHBondContact O-CB 3.32Å; P196-L200 WeakPolarHBondContact O-CD1 3.45Å; P196-L200 PolarHBondContact O-N 3.05Å
197F96.4Very high95Very high23 Ų2362.4 Ų62.410%0.10131%0.307CS..Hα-helixtrans-71.1-33.4-179.6-61.9-79.7000112.4W132 L133 M137 M140 L145 A194 Y195 S201 L238W132-F197 AromaticContact CH2-CD2 3.66Å; W132-F197 HydrophobicContact CH2-CD2 3.66Å; W132-F197 AromaticContact CH2-CE2 3.8Å; W132-F197 HydrophobicContact CH2-CE2 3.8Å; W132-F197 AromaticContact CZ3-CD2 3.8Å; W132-F197 HydrophobicContact CZ3-CD2 3.8Å; W132-F197 AromaticContact CZ3-CE2 3.41Å; W132-F197 HydrophobicContact CZ3-CE2 3.41Å; W132-F197 VanDerWaalsContact CZ3-CE2 3.41Å; W132-F197 HydrophobicContact CZ3-CZ 4.18Å; L133-F197 HydrophobicContact CD2-CE2 3.98Å; L133-F197 HydrophobicContact CD2-CZ 3.68Å; M137-F197 HydrophobicContact SD-CE1 4.18Å; M137-F197 HydrophobicContact SD-CZ 4.32Å; M140-F197 HydrophobicContact CE-CB 4.25Å; M140-F197 HydrophobicContact CE-CD1 4.38Å; M140-F197 HydrophobicContact CE-CG 4.35Å; L145-F197 HydrophobicContact CD1-CD1 4.48Å; L145-F197 HydrophobicContact CD2-CD1 3.59Å; L145-F197 HydrophobicContact CD2-CE1 4.03Å; A194-F197 PolarHBondContact O-N 3.17Å; A194-F197 VanDerWaalsContact O-N 3.14Å; Y195-F197 VanDerWaalsContact C-N 3.3Å; Y195-F197 PolarHBondContact O-N 3.37Å; F197-S201 WeakPolarHBondContact O-CB 3.48Å; F197-S201 PolarHBondContact O-N 2.97Å; F197-S201 PolarHBondContact O-OG 2.89Å; F197-L238 HydrophobicContact CB-CD1 3.66Å
198L96.8Very high95.3Very high39 Ų3959.6 Ų59.620%0.20429%0.292CS..Hα-helixtrans-66.4-44.7174.6-165.2154.2000110.7A194 Y195 S201 L202 I239A194-L198 WeakPolarHBondContact O-CB 3.33Å; A194-L198 PolarHBondContact O-N 3.02Å; Y195-L198 PolarHBondContact O-N 3.39Å; L198-S201 WeakPolarHBondContact CA-OG 3.27Å; L198-S201 PolarHBondContact O-N 3.07Å; L198-S201 PolarHBondContact O-OG 2.83Å; L198-L202 HydrophobicContact CD2-CD1 3.48Å; L198-L202 VanDerWaalsContact CD2-CD1 3.48Å; L198-L202 HydrophobicContact CD2-CG 4.16Å; L198-L202 WeakPolarHBondContact O-CG 3.4Å; L198-L202 PolarHBondContact O-N 3.07Å; L198-I239 HydrophobicContact CD1-CD1 4.37Å; L198-I239 HydrophobicContact CD1-CG1 3.88Å
199V97.1Very high95.6Very high96 Ų9660 Ų6058%0.58230%0.296SS*.Hα-helixtrans-62.6-46.4174.7175.10000110.9Y195 P196 S201 L202 W203Y195-V199 WeakPolarHBondContact O-CG2 3.11Å; Y195-V199 PolarHBondContact O-N 3.14Å; P196-V199 PolarHBondContact O-N 3.33Å; V199-S201 VanDerWaalsContact C-N 3.33Å; V199-S201 PolarHBondContact O-N 3.45Å; V199-L202 PolarHBondContact O-N 3.36Å; V199-W203 VanDerWaalsContact O-CB 3.26Å; V199-W203 WeakPolarHBondContact O-CB 3.23Å; V199-W203 PolarHBondContact O-N 3.47Å
200L96.9Very high95.8Very high66 Ų6661.6 Ų61.635%0.34631%0.307SS..Hα-helixtrans-59.1-40.9177.6-90154.2000112.9L145 Y146 P196 G204L145-L200 HydrophobicContact CD1-CB 4.4Å; L145-L200 HydrophobicContact CD2-CD1 4.34Å; Y146-L200 WeakPolarHBondContact CB-O 3.41Å; Y146-L200 HydrophobicContact CD1-CD2 4.21Å; P196-L200 WeakPolarHBondContact O-CB 3.32Å; P196-L200 WeakPolarHBondContact O-CD1 3.45Å; P196-L200 PolarHBondContact O-N 3.05Å; L200-G204 WeakPolarHBondContact O-CA 3.32Å; L200-G204 PolarHBondContact O-N 3.38Å
201S96.5Very high96.1Very high1 Ų163.1 Ų63.11%0.00732%0.315CS..Hα-helixtrans-74.4-43.3-179.548.20000112.5F197 L198 V199 G204 M205 T235F197-S201 WeakPolarHBondContact O-CB 3.48Å; F197-S201 PolarHBondContact O-N 2.97Å; F197-S201 PolarHBondContact O-OG 2.89Å; L198-S201 WeakPolarHBondContact CA-OG 3.27Å; L198-S201 PolarHBondContact O-N 3.07Å; L198-S201 PolarHBondContact O-OG 2.83Å; V199-S201 VanDerWaalsContact C-N 3.33Å; V199-S201 PolarHBondContact O-N 3.45Å; S201-G204 PolarHBondContact O-N 3.26Å; S201-M205 WeakPolarHBondContact O-CB 3.23Å; S201-M205 PolarHBondContact O-N 2.9Å; S201-T235 WeakPolarHBondContact OG-CG2 3.37Å
202L97Very high96.4Very high78 Ų7857.1 Ų57.141%0.40829%0.291SS..Hα-helixtrans-63.2-47.1175.4-72.5178.3000112.2L198 V199 M205 T235L198-L202 HydrophobicContact CD2-CD1 3.48Å; L198-L202 VanDerWaalsContact CD2-CD1 3.48Å; L198-L202 HydrophobicContact CD2-CG 4.16Å; L198-L202 WeakPolarHBondContact O-CG 3.4Å; L198-L202 PolarHBondContact O-N 3.07Å; V199-L202 PolarHBondContact O-N 3.36Å; L202-M205 PolarHBondContact O-N 3.18Å; L202-T235 HydrophobicContact CD2-CG2 3.76Å; L202-T235 HydrophobicContact CG-CG2 3.86Å
203W97.8Very high96.6Very high145 Ų14558.5 Ų58.555%0.54930%0.302SS..Hα-helixtrans-63.8-44.4175.1-178.3-107000111.2V199 M205 I206 M207V199-W203 VanDerWaalsContact O-CB 3.26Å; V199-W203 WeakPolarHBondContact O-CB 3.23Å; V199-W203 PolarHBondContact O-N 3.47Å; W203-M205 VanDerWaalsContact C-N 3.3Å; W203-M205 PolarHBondContact O-N 2.93Å; W203-I206 PolarHBondContact O-N 2.71Å; W203-I206 VanDerWaalsContact O-N 3.14Å; W203-M207 HydrophobicContact CD2-CG 4.17Å; W203-M207 HydrophobicContact CG-CG 4.24Å; W203-M207 HydrophobicContact CH2-SD 4.3Å; W203-M207 HydrophobicContact CZ2-CG 4.09Å; W203-M207 HydrophobicContact CZ2-SD 3.56Å; W203-M207 VanDerWaalsContact CZ2-SD 3.56Å; W203-M207 VanDerWaalsContact NE1-CG 3.3Å; W203-M207 WeakPolarHBondContact O-CG 3.08Å; W203-M207 PolarHBondContact O-N 3.07Å
204G96.6Very high96.7Very high1 Ų166 Ų661%0.0133%0.328CS..Hα-helixtrans-59.6-37.3179.300000114Y146 L200 S201 I206 M207 T208Y146-G204 VanDerWaalsContact CG-CA 3.41Å; L200-G204 WeakPolarHBondContact O-CA 3.32Å; L200-G204 PolarHBondContact O-N 3.38Å; S201-G204 PolarHBondContact O-N 3.26Å; G204-I206 PolarHBondContact O-N 3.43Å; G204-M207 PolarHBondContact O-N 2.63Å; G204-T208 WeakPolarHBondContact O-CB 3.49Å; G204-T208 WeakPolarHBondContact O-CG2 3.33Å; G204-T208 PolarHBondContact O-N 3.42Å; G204-T208 PolarHBondContact O-OG1 3.01Å
205M96.3Very high96.7Very high51 Ų5167.7 Ų67.725%0.25134%0.335SS..Hα-helixtrans-59.1-45.9174.6179.3-175.26500111.5S201 L202 W203 T208 S209 A231 L232S201-M205 WeakPolarHBondContact O-CB 3.23Å; S201-M205 PolarHBondContact O-N 2.9Å; L202-M205 PolarHBondContact O-N 3.18Å; W203-M205 VanDerWaalsContact C-N 3.3Å; W203-M205 PolarHBondContact O-N 2.93Å; M205-T208 PolarHBondContact O-OG1 3.37Å; M205-S209 WeakPolarHBondContact O-CB 3.23Å; M205-S209 PolarHBondContact O-N 3.07Å; M205-S209 VanDerWaalsContact O-N 3.13Å; M205-S209 PolarHBondContact O-OG 3.3Å; M205-A231 HydrophobicContact CB-CB 4.07Å; M205-L232 HydrophobicContact SD-CD1 3.45Å; M205-L232 WeakPolarHBondContact SD-CD1 3.33Å; M205-L232 HydrophobicContact SD-CD2 4.23Å; M205-L232 HydrophobicContact SD-CG 3.52Å; M205-L232 VanDerWaalsContact SD-CG 3.52Å
206I97.7Very high96.7Very high92 Ų9264 Ų6447%0.47233%0.328SS..Hα-helixtrans-68.5-43.1178.6-59.9168.7000110.5W203 G204 S209 S210W203-I206 PolarHBondContact O-N 2.71Å; W203-I206 VanDerWaalsContact O-N 3.14Å; G204-I206 PolarHBondContact O-N 3.43Å; I206-S209 PolarHBondContact O-OG 3.04Å; I206-S210 WeakPolarHBondContact O-CB 3.02Å; I206-S210 PolarHBondContact O-N 3Å
207M97.7Very high96.7Very high54 Ų5462.5 Ų62.527%0.26632%0.316SS..Hα-helixtrans-66.5-44.1-179-67.8-54.8-67.600111.9Y146 W203 G204 S210 I211Y146-M207 HydrophobicContact CE2-CB 3.82Å; W203-M207 HydrophobicContact CD2-CG 4.17Å; W203-M207 HydrophobicContact CG-CG 4.24Å; W203-M207 HydrophobicContact CH2-SD 4.3Å; W203-M207 HydrophobicContact CZ2-CG 4.09Å; W203-M207 HydrophobicContact CZ2-SD 3.56Å; W203-M207 VanDerWaalsContact CZ2-SD 3.56Å; W203-M207 VanDerWaalsContact NE1-CG 3.3Å; W203-M207 WeakPolarHBondContact O-CG 3.08Å; W203-M207 PolarHBondContact O-N 3.07Å; G204-M207 PolarHBondContact O-N 2.63Å; M207-S210 PolarHBondContact O-N 2.92Å; M207-S210 PolarHBondContact O-OG 3.31Å; M207-I211 VanDerWaalsContact O-CG1 3.29Å; M207-I211 WeakPolarHBondContact O-CG1 3.1Å; M207-I211 PolarHBondContact O-N 3.05Å
208T96.8Very high96.6Very high0 Ų062.4 Ų62.40%032%0.317CS..Hα-helixtrans-68.5-35.9179.650.90000112.5Y146 G204 M205 I211 C212 Y224 I227 S228Y146-T208 HydrophobicContact CD2-CG2 4.04Å; Y146-T208 HydrophobicContact CE2-CG2 4.26Å; G204-T208 WeakPolarHBondContact O-CB 3.49Å; G204-T208 WeakPolarHBondContact O-CG2 3.33Å; G204-T208 PolarHBondContact O-N 3.42Å; G204-T208 PolarHBondContact O-OG1 3.01Å; M205-T208 PolarHBondContact O-OG1 3.37Å; T208-I211 WeakPolarHBondContact O-CB 3.46Å; T208-I211 PolarHBondContact O-N 3.03Å; T208-C212 PolarHBondContact O-N 3.08Å; T208-C212 PolarHBondContact O-SG 2.85Å; T208-Y224 HydrophobicContact CG2-CD1 4.37Å; T208-I227 HydrophobicContact CG2-CB 4.24Å; T208-I227 HydrophobicContact CG2-CG2 3.79Å; T208-S228 WeakPolarHBondContact OG1-CA 2.86Å; T208-S228 VanDerWaalsContact OG1-CB 3.32Å; T208-S228 WeakPolarHBondContact OG1-CB 3.44Å
209S96.1Very high96.5Very high55 Ų5561.1 Ų61.139%0.38531%0.309SS..Hα-helixtrans-66.2-38.7171.866.20000112.3M205 I206 I211 C212 L213M205-S209 WeakPolarHBondContact O-CB 3.23Å; M205-S209 PolarHBondContact O-N 3.07Å; M205-S209 VanDerWaalsContact O-N 3.13Å; M205-S209 PolarHBondContact O-OG 3.3Å; I206-S209 PolarHBondContact O-OG 3.04Å; S209-I211 VanDerWaalsContact C-N 3.27Å; S209-I211 PolarHBondContact O-N 3.48Å; S209-C212 WeakPolarHBondContact O-CB 3.27Å; S209-C212 PolarHBondContact O-N 3.45Å; S209-L213 PolarHBondContact O-N 3.25Å
210S97.5Very high96.4Very high39 Ų3956.9 Ų56.927%0.27328%0.284SS..Hα-helixtrans-64.5-32.1173.281.20000112.8I206 M207 L213I206-S210 WeakPolarHBondContact O-CB 3.02Å; I206-S210 PolarHBondContact O-N 3Å; M207-S210 PolarHBondContact O-N 2.92Å; M207-S210 PolarHBondContact O-OG 3.31Å; S210-L213 PolarHBondContact O-N 3.4Å
211I97.5Very high96.4Very high36 Ų3656.2 Ų56.219%0.18528%0.28CS..Hα-helixtrans-66.4-43.3173.8-71.1165.2000109.6M207 T208 S209 L213 R214 Q215 Y224M207-I211 VanDerWaalsContact O-CG1 3.29Å; M207-I211 WeakPolarHBondContact O-CG1 3.1Å; M207-I211 PolarHBondContact O-N 3.05Å; T208-I211 WeakPolarHBondContact O-CB 3.46Å; T208-I211 PolarHBondContact O-N 3.03Å; S209-I211 VanDerWaalsContact C-N 3.27Å; S209-I211 PolarHBondContact O-N 3.48Å; I211-L213 PolarHBondContact O-N 3.4Å; I211-R214 PolarHBondContact O-N 2.89Å; I211-Q215 HydrophobicContact CG2-CG 4.17Å; I211-Q215 WeakPolarHBondContact O-CG 3.2Å; I211-Q215 PolarHBondContact O-N 2.88Å; I211-Y224 HydrophobicContact CD1-CE1 4.36Å; I211-Y224 HydrophobicContact CG2-CD1 3.96Å; I211-Y224 HydrophobicContact CG2-CD2 3.88Å; I211-Y224 HydrophobicContact CG2-CE1 4.03Å; I211-Y224 HydrophobicContact CG2-CE2 3.96Å; I211-Y224 HydrophobicContact CG2-CG 3.89Å
212C96.4Very high96.4Very high19 Ų1956.4 Ų56.413%0.12828%0.281CS..Hα-helixtrans-54.3-37.2177.7-660000113.1T208 S209 R214 Q215 L221 Y224 S225T208-C212 PolarHBondContact O-N 3.08Å; T208-C212 PolarHBondContact O-SG 2.85Å; S209-C212 WeakPolarHBondContact O-CB 3.27Å; S209-C212 PolarHBondContact O-N 3.45Å; C212-R214 PolarHBondContact O-N 3.32Å; C212-Q215 PolarHBondContact O-N 3.41Å; C212-L221 HydrophobicContact CB-CG 4.35Å; C212-Y224 WeakPolarHBondContact SG-CB 3.47Å; C212-S225 PolarHBondContact SG-N 3.18Å; C212-S225 VanDerWaalsContact SG-N 3.42Å
213L96.1Very high96.4Very high156 Ų15652.7 Ų52.782%0.81726%0.262SS*.THydrogen-bonded Turntrans-62.8-22.1178.3-65175.3000113.6S209 S210 I211S209-L213 PolarHBondContact O-N 3.25Å; S210-L213 PolarHBondContact O-N 3.4Å; I211-L213 PolarHBondContact O-N 3.4Å
214R96.1Very high96.3Very high196 Ų19647.6 Ų47.674%0.7424%0.243SC*.THydrogen-bonded Turntrans-109.22.1-177.7-63.3-171.4-69.3175.8-1.5113.4I211 C212I211-R214 PolarHBondContact O-N 2.89Å; C212-R214 PolarHBondContact O-N 3.32Å
215Q96Very high96.4Very high43 Ų4348 Ų4820%0.20125%0.245CC..  trans-75.8128.2-178-73.8-56.2-18.300112I211 C212 S220 L221 Y224I211-Q215 HydrophobicContact CG2-CG 4.17Å; I211-Q215 WeakPolarHBondContact O-CG 3.2Å; I211-Q215 PolarHBondContact O-N 2.88Å; C212-Q215 PolarHBondContact O-N 3.41Å; Q215-S220 PolarHBondContact OE1-OG 3.33Å; Q215-S220 VanDerWaalsContact OE1-OG 3.13Å; Q215-L221 HydrophobicContact CB-CB 3.95Å; Q215-L221 HydrophobicContact CB-CD1 4.41Å; Q215-L221 HydrophobicContact CB-CG 4.41Å; Q215-Y224 HydrophobicContact CG-CD2 4.03Å
216T95.3Very high96.3Very high76 Ų7645.5 Ų45.547%0.46623%0.233SC..  trans-85.1-31.217354.90000112.2M278T216-M278 WeakPolarHBondContact O-CB 3.34Å; T216-M278 PolarHBondContact O-N 3.18Å
217D95.2Very high96.3Very high46 Ų4641.2 Ų41.225%0.24621%0.211CC..BIsolated β-bridgetrans-90.8119.2-176.1-78.9-13.6000111.1K219 S220 L221D217-K219 PolarHBondContact O-N 3.01Å; D217-S220 WeakPolarHBondContact CB-OG 3.45Å; D217-S220 WeakPolarHBondContact O-CB 3.17Å; D217-S220 PolarHBondContact O-N 3.43Å; D217-S220 PolarHBondContact O-OG 3Å; D217-L221 PolarHBondContact O-N 2.99Å
218L94.4Very high96.3Very high22 Ų2239.2 Ų39.212%0.11520%0.203CC..Hα-helixtrans-65.7-39.3-172.2-175.8151.1000112.7S220 L221 I222 A266 R276 M278 W295L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.45Å; L218-L221 PolarHBondContact O-N 3.43Å; L218-I222 HydrophobicContact CD2-CD1 3.84Å; L218-I222 WeakPolarHBondContact O-CG1 3.3Å; L218-I222 PolarHBondContact O-N 3Å; L218-A266 HydrophobicContact CD2-CB 3.09Å; L218-R276 PolarHBondContact N-O 2.95Å; L218-M278 HydrophobicContact CB-CB 4.48Å; L218-W295 HydrophobicContact CD1-CH2 3.84Å; L218-W295 HydrophobicContact CD1-CZ2 4.17Å; L218-W295 HydrophobicContact CD2-CH2 3.99Å; L218-W295 HydrophobicContact CD2-CZ2 4.48Å; L218-W295 HydrophobicContact CG-CH2 4.25Å
219K95Very high96.3Very high12 Ų1240.6 Ų40.65%0.05221%0.209CC..Hα-helixtrans-65.3-35.1173.4-80.6-167.4178.2-175.30112.4V157 A159 D217 A223 F263 A266V157-K219 HydrophobicContact CG2-CB 4.03Å; A159-K219 PolarHBondContact O-NZ 2.94Å; D217-K219 PolarHBondContact O-N 3.01Å; K219-A223 WeakPolarHBondContact O-CB 3.42Å; K219-A223 PolarHBondContact O-N 2.88Å; K219-F263 HydrophobicContact CB-CE1 4.46Å; K219-F263 HydrophobicContact CG-CD1 4.44Å; K219-F263 HydrophobicContact CG-CE1 4.5Å; K219-A266 HydrophobicContact CG-CB 4.35Å
220S95.4Very high96.3Very high7 Ų738 Ų385%0.04919%0.191CC..Hα-helixtrans-71.1-37.417982.90000111.1Q215 D217 L218 I222 A223 Y224Q215-S220 PolarHBondContact OE1-OG 3.33Å; Q215-S220 VanDerWaalsContact OE1-OG 3.13Å; D217-S220 WeakPolarHBondContact CB-OG 3.45Å; D217-S220 WeakPolarHBondContact O-CB 3.17Å; D217-S220 PolarHBondContact O-N 3.43Å; D217-S220 PolarHBondContact O-OG 3Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.45Å; S220-I222 VanDerWaalsContact C-N 3.34Å; S220-I222 PolarHBondContact O-N 2.84Å; S220-A223 WeakPolarHBondContact O-CB 3.09Å; S220-A223 PolarHBondContact O-N 3.38Å; S220-A223 VanDerWaalsContact O-N 3.12Å; S220-Y224 WeakPolarHBondContact O-CD2 3.46Å; S220-Y224 PolarHBondContact O-N 2.7Å
221L96.8Very high96.3Very high51 Ų5136.5 Ų36.527%0.26718%0.18SC..Hα-helixtrans-58.3-47.1174.8-173.2156.3000110.6C212 Q215 D217 L218 A223 Y224 S225 M278C212-L221 HydrophobicContact CB-CG 4.35Å; Q215-L221 HydrophobicContact CB-CB 3.95Å; Q215-L221 HydrophobicContact CB-CD1 4.41Å; Q215-L221 HydrophobicContact CB-CG 4.41Å; D217-L221 PolarHBondContact O-N 2.99Å; L218-L221 PolarHBondContact O-N 3.43Å; L221-A223 VanDerWaalsContact C-N 3.31Å; L221-A223 PolarHBondContact O-N 3.19Å; L221-Y224 PolarHBondContact O-N 2.86Å; L221-S225 PolarHBondContact O-N 2.84Å; L221-M278 HydrophobicContact CD1-SD 4.42Å
222I96.9Very high96.3Very high5 Ų538.2 Ų38.23%0.02619%0.19CC..Hα-helixtrans-65-36.1176.6-57.4161.2000111.1L218 S220 S225 S226 L262 F263 A266L218-I222 HydrophobicContact CD2-CD1 3.84Å; L218-I222 WeakPolarHBondContact O-CG1 3.3Å; L218-I222 PolarHBondContact O-N 3Å; S220-I222 VanDerWaalsContact C-N 3.34Å; S220-I222 PolarHBondContact O-N 2.84Å; I222-S225 PolarHBondContact O-OG 3.28Å; I222-S226 PolarHBondContact O-N 3.12Å; I222-L262 HydrophobicContact CD1-CB 3.95Å; I222-L262 WeakPolarHBondContact CD1-O 2.99Å; I222-L262 HydrophobicContact CG1-CB 4.17Å; I222-L262 HydrophobicContact CG2-CB 3.97Å; I222-L262 HydrophobicContact CG2-CD1 4.47Å; I222-F263 HydrophobicContact CB-CE1 4.06Å; I222-F263 HydrophobicContact CB-CE2 4.39Å; I222-F263 HydrophobicContact CB-CZ 3.96Å; I222-F263 HydrophobicContact CD1-CD1 4.42Å; I222-F263 HydrophobicContact CG2-CD1 4.29Å; I222-F263 HydrophobicContact CG2-CD2 3.85Å; I222-F263 HydrophobicContact CG2-CE1 3.99Å; I222-F263 HydrophobicContact CG2-CE2 3.5Å; I222-F263 HydrophobicContact CG2-CG 4.22Å; I222-F263 HydrophobicContact CG2-CZ 3.58Å; I222-A266 HydrophobicContact CD1-CB 3.85Å
223A96.3Very high96.4Very high0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-64.6-44.8175.200000112L152 P153 H156 K219 S220 L221 S226 I227L152-A223 HydrophobicContact CD2-CB 3.69Å; P153-A223 HydrophobicContact CB-CB 4.44Å; H156-A223 HydrophobicContact CB-CB 4.02Å; K219-A223 WeakPolarHBondContact O-CB 3.42Å; K219-A223 PolarHBondContact O-N 2.88Å; S220-A223 WeakPolarHBondContact O-CB 3.09Å; S220-A223 PolarHBondContact O-N 3.38Å; S220-A223 VanDerWaalsContact O-N 3.12Å; L221-A223 VanDerWaalsContact C-N 3.31Å; L221-A223 PolarHBondContact O-N 3.19Å; A223-S226 PolarHBondContact O-N 3.34Å; A223-S226 PolarHBondContact O-OG 2.95Å; A223-I227 WeakPolarHBondContact O-CG1 3.46Å; A223-I227 PolarHBondContact O-N 3.37Å
224Y97.2Very high96.4Very high38 Ų3829.9 Ų29.915%0.14915%0.145CC..Hα-helixtrans-68.2-36.3176.8-78.1-71.7000112.9P153 T208 I211 C212 Q215 S220 L221 S226 I227 S228P153-Y224 HydrophobicContact CB-CE2 4.01Å; P153-Y224 HydrophobicContact CG-CD1 4.31Å; P153-Y224 HydrophobicContact CG-CD2 4.44Å; P153-Y224 HydrophobicContact CG-CE1 3.78Å; P153-Y224 HydrophobicContact CG-CE2 3.92Å; T208-Y224 HydrophobicContact CG2-CD1 4.37Å; I211-Y224 HydrophobicContact CD1-CE1 4.36Å; I211-Y224 HydrophobicContact CG2-CD1 3.96Å; I211-Y224 HydrophobicContact CG2-CD2 3.88Å; I211-Y224 HydrophobicContact CG2-CE1 4.03Å; I211-Y224 HydrophobicContact CG2-CE2 3.96Å; I211-Y224 HydrophobicContact CG2-CG 3.89Å; C212-Y224 WeakPolarHBondContact SG-CB 3.47Å; Q215-Y224 HydrophobicContact CG-CD2 4.03Å; S220-Y224 WeakPolarHBondContact O-CD2 3.46Å; S220-Y224 PolarHBondContact O-N 2.7Å; L221-Y224 PolarHBondContact O-N 2.86Å; Y224-S226 VanDerWaalsContact C-N 3.28Å; Y224-S226 PolarHBondContact O-N 2.96Å; Y224-I227 HydrophobicContact CD1-CD1 3.91Å; Y224-I227 HydrophobicContact CE1-CD1 4.33Å; Y224-I227 PolarHBondContact O-N 2.72Å; Y224-I227 VanDerWaalsContact O-N 3.16Å; Y224-S228 PolarHBondContact O-N 3.41Å
225S96.8Very high96.4Very high9 Ų921.2 Ų21.26%0.06311%0.113CC..Hα-helixtrans-64.4-34.5172.472.50000111.7C212 L221 I222 I227 S228 H229C212-S225 PolarHBondContact SG-N 3.18Å; C212-S225 VanDerWaalsContact SG-N 3.42Å; L221-S225 PolarHBondContact O-N 2.84Å; I222-S225 PolarHBondContact O-OG 3.28Å; S225-I227 VanDerWaalsContact C-N 3.31Å; S225-I227 PolarHBondContact O-N 3.18Å; S225-S228 WeakPolarHBondContact CA-OG 3.32Å; S225-S228 PolarHBondContact O-N 3.18Å; S225-S228 PolarHBondContact O-OG 3.2Å; S225-H229 PolarHBondContact O-CD2 3.45Å; S225-H229 PolarHBondContact O-N 3.46Å
226S96.1Very high96.5Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-63.6-36.5173.477.30000112.9I222 A223 Y224 M230 H255I222-S226 PolarHBondContact O-N 3.12Å; A223-S226 PolarHBondContact O-N 3.34Å; A223-S226 PolarHBondContact O-OG 2.95Å; Y224-S226 VanDerWaalsContact C-N 3.28Å; Y224-S226 PolarHBondContact O-N 2.96Å; S226-M230 WeakPolarHBondContact O-CB 3.46Å; S226-M230 WeakPolarHBondContact O-CG 3.37Å; S226-M230 PolarHBondContact O-N 3.45Å; S226-H255 VanDerWaalsContact CA-CE1 3.5Å; S226-H255 WeakPolarHBondContact CA-CE1 3.28Å; S226-H255 WeakPolarHBondContact CA-NE2 3.35Å; S226-H255 VanDerWaalsContact CB-NE2 3.32Å; S226-H255 WeakPolarHBondContact CB-NE2 3.32Å
227I97.3Very high96.5Very high1 Ų116.3 Ų16.31%0.0059%0.088CC..Hα-helixtrans-65.7-42.6174.6-60.2159.6000110.2P144 H149 L152 P153 T208 A223 Y224 S225 H229 M230 A231P144-I227 HydrophobicContact CB-CG1 4.25Å; P144-I227 HydrophobicContact CB-CG2 4.49Å; P144-I227 HydrophobicContact CG-CB 4.38Å; P144-I227 HydrophobicContact CG-CG1 3.91Å; P144-I227 HydrophobicContact CG-CG2 4.26Å; H149-I227 HydrophobicContact CB-CD1 3.83Å; H149-I227 HydrophobicContact CB-CG1 4.19Å; H149-I227 HydrophobicContact CB-CG2 3.93Å; L152-I227 HydrophobicContact CB-CD1 4.41Å; L152-I227 HydrophobicContact CD1-CG1 3.89Å; L152-I227 HydrophobicContact CD2-CD1 4.21Å; L152-I227 HydrophobicContact CD2-CG1 4.11Å; L152-I227 HydrophobicContact CG-CG1 4.44Å; P153-I227 HydrophobicContact CG-CD1 4.01Å; T208-I227 HydrophobicContact CG2-CB 4.24Å; T208-I227 HydrophobicContact CG2-CG2 3.79Å; A223-I227 WeakPolarHBondContact O-CG1 3.46Å; A223-I227 PolarHBondContact O-N 3.37Å; Y224-I227 HydrophobicContact CD1-CD1 3.91Å; Y224-I227 HydrophobicContact CE1-CD1 4.33Å; Y224-I227 PolarHBondContact O-N 2.72Å; Y224-I227 VanDerWaalsContact O-N 3.16Å; S225-I227 VanDerWaalsContact C-N 3.31Å; S225-I227 PolarHBondContact O-N 3.18Å; I227-H229 PolarHBondContact O-N 3.43Å; I227-M230 PolarHBondContact O-N 3.19Å; I227-A231 WeakPolarHBondContact O-CB 3.46Å; I227-A231 PolarHBondContact O-N 3.18Å
228S96.9Very high96.5Very high13 Ų1314.7 Ų14.79%0.0918%0.079CC..Hα-helixtrans-63.4-43.1178.965.10000112.4T208 Y224 S225 A231T208-S228 WeakPolarHBondContact OG1-CA 2.86Å; T208-S228 VanDerWaalsContact OG1-CB 3.32Å; T208-S228 WeakPolarHBondContact OG1-CB 3.44Å; Y224-S228 PolarHBondContact O-N 3.41Å; S225-S228 WeakPolarHBondContact CA-OG 3.32Å; S225-S228 PolarHBondContact O-N 3.18Å; S225-S228 PolarHBondContact O-OG 3.2Å; S228-A231 WeakPolarHBondContact O-CB 3.4Å; S228-A231 PolarHBondContact O-N 3.26Å
229H97Very high96.6Very high29 Ų2918 Ų1813%0.13410%0.096CC..Hα-helixtrans-69.7-37.3177-66.8-66.7000112.7S225 I227 A231 L232 V233 H255 N302S225-H229 PolarHBondContact O-CD2 3.45Å; S225-H229 PolarHBondContact O-N 3.46Å; I227-H229 PolarHBondContact O-N 3.43Å; H229-A231 VanDerWaalsContact C-N 3.3Å; H229-A231 PolarHBondContact O-N 3.46Å; H229-L232 WeakPolarHBondContact O-CB 3.35Å; H229-L232 PolarHBondContact O-N 2.93Å; H229-V233 PolarHBondContact O-N 3.37Å; H229-H255 AromaticContact CD2-CE1 3.82Å; H229-H255 AromaticContact CD2-ND1 3.63Å; H229-H255 AromaticContact CG-ND1 3.9Å; H229-N302 PolarHBondContact CE1-O 3.12Å; H229-N302 PolarHBondContact NE2-ND2 3.37Å; H229-N302 PolarHBondContact NE2-O 3.46Å; H229-N302 PolarHBondContact NE2-OD1 2.85Å
230M97.1Very high96.6Very high1 Ų119.6 Ų19.61%0.00510%0.104CC..Hα-helixtrans-71.1-26.1176.1-64.2-58.485.600112.3L172 K173 S226 I227 L232 V233 V234 H255L172-M230 HydrophobicContact CB-CG 4.34Å; L172-M230 HydrophobicContact CB-SD 4.29Å; L172-M230 HydrophobicContact CD1-CG 4.21Å; K173-M230 HydrophobicContact CD-SD 4.31Å; S226-M230 WeakPolarHBondContact O-CB 3.46Å; S226-M230 WeakPolarHBondContact O-CG 3.37Å; S226-M230 PolarHBondContact O-N 3.45Å; I227-M230 PolarHBondContact O-N 3.19Å; M230-L232 VanDerWaalsContact C-N 3.31Å; M230-L232 PolarHBondContact O-N 3.41Å; M230-V233 HydrophobicContact CE-CG2 3.72Å; M230-V233 WeakPolarHBondContact O-CB 3.37Å; M230-V233 PolarHBondContact O-N 3.18Å; M230-V233 VanDerWaalsContact O-N 3.12Å; M230-V233 HydrophobicContact SD-CG2 4.35Å; M230-V234 WeakPolarHBondContact O-CG2 3.19Å; M230-V234 PolarHBondContact O-N 2.67Å; M230-H255 HydrophobicContact CE-CB 4Å; M230-H255 WeakPolarHBondContact CE-CD2 3.45Å
231A97.3Very high96.6Very high6 Ų622 Ų225%0.0512%0.118CC..Hα-helixtrans-61-39.5171.600000112.1M205 I227 S228 H229 V233 V234 T235M205-A231 HydrophobicContact CB-CB 4.07Å; I227-A231 WeakPolarHBondContact O-CB 3.46Å; I227-A231 PolarHBondContact O-N 3.18Å; S228-A231 WeakPolarHBondContact O-CB 3.4Å; S228-A231 PolarHBondContact O-N 3.26Å; H229-A231 VanDerWaalsContact C-N 3.3Å; H229-A231 PolarHBondContact O-N 3.46Å; A231-V233 PolarHBondContact O-N 3.04Å; A231-V234 WeakPolarHBondContact O-CB 3.25Å; A231-V234 PolarHBondContact O-N 3.28Å; A231-T235 WeakPolarHBondContact O-CG2 3.35Å; A231-T235 PolarHBondContact O-N 3.17Å
232L96.9Very high96.5Very high72 Ų7224.1 Ų24.138%0.37714%0.135SC..Hα-helixtrans-59.5-44.2170.4-90.4143.7000111.9M205 H229 M230 V234 T235 A236 L251M205-L232 HydrophobicContact SD-CD1 3.45Å; M205-L232 WeakPolarHBondContact SD-CD1 3.33Å; M205-L232 HydrophobicContact SD-CD2 4.23Å; M205-L232 HydrophobicContact SD-CG 3.52Å; M205-L232 VanDerWaalsContact SD-CG 3.52Å; H229-L232 WeakPolarHBondContact O-CB 3.35Å; H229-L232 PolarHBondContact O-N 2.93Å; M230-L232 VanDerWaalsContact C-N 3.31Å; M230-L232 PolarHBondContact O-N 3.41Å; L232-V234 VanDerWaalsContact C-N 3.32Å; L232-V234 PolarHBondContact O-N 3.49Å; L232-T235 PolarHBondContact O-N 2.9Å; L232-T235 PolarHBondContact O-OG1 3.37Å; L232-A236 WeakPolarHBondContact O-CB 3.12Å; L232-A236 PolarHBondContact O-N 2.72Å; L232-L251 HydrophobicContact CB-CD2 3.77Å
233V97.7Very high96.6Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-59.6-43.2176.1177.60000111.1M143 H229 M230 A231 A236 I237 A248 L251 M252M143-V233 HydrophobicContact SD-CB 4.37Å; M143-V233 HydrophobicContact SD-CG1 3.74Å; H229-V233 PolarHBondContact O-N 3.37Å; M230-V233 HydrophobicContact CE-CG2 3.72Å; M230-V233 WeakPolarHBondContact O-CB 3.37Å; M230-V233 PolarHBondContact O-N 3.18Å; M230-V233 VanDerWaalsContact O-N 3.12Å; M230-V233 HydrophobicContact SD-CG2 4.35Å; A231-V233 PolarHBondContact O-N 3.04Å; V233-A236 PolarHBondContact O-N 2.94Å; V233-I237 HydrophobicContact CG1-CD1 3.66Å; V233-I237 HydrophobicContact CG1-CG1 4.41Å; V233-I237 VanDerWaalsContact O-CG1 3.28Å; V233-I237 WeakPolarHBondContact O-CG1 3.45Å; V233-I237 PolarHBondContact O-N 3.45Å; V233-A248 HydrophobicContact CG1-CB 4.26Å; V233-L251 HydrophobicContact CG2-CB 4.33Å; V233-L251 HydrophobicContact CG2-CD2 3.72Å; V233-L251 HydrophobicContact CG2-CG 4.11Å; V233-M252 HydrophobicContact CB-CG 4.5Å; V233-M252 HydrophobicContact CG1-CG 3.75Å; V233-M252 HydrophobicContact CG1-SD 3.95Å; V233-M252 HydrophobicContact CG2-CG 3.9Å
234V96.8Very high96.6Very high1 Ų135 Ų351%0.00618%0.178CC..Hα-helixtrans-60-48.7175.8173.40000111M140 M143 L145 M230 A231 L232 A236 I237 L238M140-V234 HydrophobicContact CE-CG1 3.99Å; M140-V234 HydrophobicContact SD-CG1 3.81Å; M140-V234 HydrophobicContact SD-CG2 4.46Å; M143-V234 HydrophobicContact CB-CG2 3.96Å; M143-V234 HydrophobicContact CE-CG2 3.82Å; M143-V234 HydrophobicContact SD-CG2 3.96Å; L145-V234 HydrophobicContact CD1-CG1 4.16Å; M230-V234 WeakPolarHBondContact O-CG2 3.19Å; M230-V234 PolarHBondContact O-N 2.67Å; A231-V234 WeakPolarHBondContact O-CB 3.25Å; A231-V234 PolarHBondContact O-N 3.28Å; L232-V234 VanDerWaalsContact C-N 3.32Å; L232-V234 PolarHBondContact O-N 3.49Å; V234-A236 VanDerWaalsContact C-N 3.31Å; V234-A236 PolarHBondContact O-N 3.03Å; V234-I237 PolarHBondContact O-N 3.35Å; V234-L238 HydrophobicContact CG1-CD1 3.86Å; V234-L238 HydrophobicContact CG1-CG 4.39Å; V234-L238 WeakPolarHBondContact O-CG 3.37Å; V234-L238 PolarHBondContact O-N 3.42Å
235T96.6Very high96.5Very high13 Ų1335.6 Ų35.68%0.0818%0.182CC..Hα-helixtrans-59-43.9178.361.50000111.9S201 L202 A231 L232 I237 L238 I239S201-T235 WeakPolarHBondContact OG-CG2 3.37Å; L202-T235 HydrophobicContact CD2-CG2 3.76Å; L202-T235 HydrophobicContact CG-CG2 3.86Å; A231-T235 WeakPolarHBondContact O-CG2 3.35Å; A231-T235 PolarHBondContact O-N 3.17Å; L232-T235 PolarHBondContact O-N 2.9Å; L232-T235 PolarHBondContact O-OG1 3.37Å; T235-I237 PolarHBondContact O-N 3.2Å; T235-L238 PolarHBondContact O-N 2.96Å; T235-I239 WeakPolarHBondContact O-CD1 3.4Å; T235-I239 VanDerWaalsContact O-CG1 3.31Å; T235-I239 WeakPolarHBondContact O-CG1 3.49Å; T235-I239 PolarHBondContact O-N 3.39Å; T235-I239 VanDerWaalsContact O-N 3.09Å
236A96.9Very high96.6Very high15 Ų1539 Ų3912%0.12420%0.203CC..Hα-helixtrans-66.2-39.3-177.700000112.1L232 V233 V234 Q240 S244 A248L232-A236 WeakPolarHBondContact O-CB 3.12Å; L232-A236 PolarHBondContact O-N 2.72Å; V233-A236 PolarHBondContact O-N 2.94Å; V234-A236 VanDerWaalsContact C-N 3.31Å; V234-A236 PolarHBondContact O-N 3.03Å; A236-Q240 PolarHBondContact O-N 3.42Å; A236-S244 WeakPolarHBondContact O-CB 3.33Å; A236-S244 PolarHBondContact O-OG 3.06Å; A236-A248 HydrophobicContact CB-CB 3.95Å
237I96.4Very high96.6Very high1 Ų140.7 Ų40.71%0.00522%0.22CC..Hα-helixtrans-69.2-37.9176-67.8166000111.3M143 M179 M180 T183 V233 V234 T235 Q240 F245 A248M143-I237 HydrophobicContact CE-CD1 3.89Å; M143-I237 HydrophobicContact SD-CD1 4.22Å; M179-I237 HydrophobicContact CB-CD1 4.46Å; M179-I237 HydrophobicContact CB-CG2 3.68Å; M179-I237 HydrophobicContact CE-CG2 4.12Å; M179-I237 HydrophobicContact SD-CG2 4.3Å; M180-I237 HydrophobicContact CE-CD1 3.86Å; M180-I237 HydrophobicContact CE-CG1 3.68Å; M180-I237 HydrophobicContact CG-CD1 4.17Å; M180-I237 HydrophobicContact CG-CG1 4.08Å; T183-I237 HydrophobicContact CG2-CG2 4.4Å; V233-I237 HydrophobicContact CG1-CD1 3.66Å; V233-I237 HydrophobicContact CG1-CG1 4.41Å; V233-I237 VanDerWaalsContact O-CG1 3.28Å; V233-I237 WeakPolarHBondContact O-CG1 3.45Å; V233-I237 PolarHBondContact O-N 3.45Å; V234-I237 PolarHBondContact O-N 3.35Å; T235-I237 PolarHBondContact O-N 3.2Å; I237-Q240 WeakPolarHBondContact O-CG 3.48Å; I237-Q240 PolarHBondContact O-N 3.05Å; I237-F245 HydrophobicContact CB-CE1 4.49Å; I237-F245 HydrophobicContact CG1-CE1 4.46Å; I237-F245 HydrophobicContact CG2-CE1 4.21Å; I237-A248 HydrophobicContact CG1-CB 4.23Å
238L95.6Very high96.6Very high13 Ų1340.8 Ų40.87%0.06822%0.22CC..Hα-helixtrans-69.6-30.7179.3-73.6175.2000113.4W132 M140 M179 A194 F197 V234 T235W132-L238 HydrophobicContact CZ2-CD2 4.34Å; M140-L238 HydrophobicContact CE-CD1 4.06Å; M140-L238 HydrophobicContact CE-CD2 3.93Å; M140-L238 HydrophobicContact CE-CG 4.25Å; M179-L238 HydrophobicContact CE-CD2 3.83Å; M179-L238 HydrophobicContact CE-CG 4.44Å; A194-L238 HydrophobicContact CB-CB 4.19Å; A194-L238 HydrophobicContact CB-CD2 4.01Å; F197-L238 HydrophobicContact CB-CD1 3.66Å; V234-L238 HydrophobicContact CG1-CD1 3.86Å; V234-L238 HydrophobicContact CG1-CG 4.39Å; V234-L238 WeakPolarHBondContact O-CG 3.37Å; V234-L238 PolarHBondContact O-N 3.42Å; T235-L238 PolarHBondContact O-N 2.96Å
239I95.3Very high96.6Very high92 Ų9243 Ų4347%0.47223%0.234SC..Hα-helixtrans-74.5-26.1176.9-67.5164.7000112.1L198 T235 T241L198-I239 HydrophobicContact CD1-CD1 4.37Å; L198-I239 HydrophobicContact CD1-CG1 3.88Å; T235-I239 WeakPolarHBondContact O-CD1 3.4Å; T235-I239 VanDerWaalsContact O-CG1 3.31Å; T235-I239 WeakPolarHBondContact O-CG1 3.49Å; T235-I239 PolarHBondContact O-N 3.39Å; T235-I239 VanDerWaalsContact O-N 3.09Å; I239-T241 VanDerWaalsContact C-N 3.3Å; I239-T241 HydrophobicContact CG2-CG2 3.8Å; I239-T241 PolarHBondContact O-N 3.34Å
240Q94.6Very high96.6Very high44 Ų4447 Ų4721%0.20626%0.255CS..  trans5630173.2-56.7-176.7-9.500116.6T183 N187 A236 I237 F245T183-Q240 HydrophobicContact CG2-CG 4.34Å; N187-Q240 PolarHBondContact ND2-OE1 3.48Å; N187-Q240 PolarHBondContact OD1-NE2 3.06Å; N187-Q240 VanDerWaalsContact OD1-NE2 3.14Å; N187-Q240 PolarHBondContact OD1-OE1 3.07Å; A236-Q240 PolarHBondContact O-N 3.42Å; I237-Q240 WeakPolarHBondContact O-CG 3.48Å; I237-Q240 PolarHBondContact O-N 3.05Å; Q240-F245 HydrophobicContact CB-CE2 4.03Å; Q240-F245 HydrophobicContact CB-CZ 4.06Å; Q240-F245 HydrophobicContact CG-CE2 4.5Å; Q240-F245 HydrophobicContact CG-CZ 4.03Å
241T95.9Very high96.6Very high58 Ų5849.4 Ų49.436%0.35627%0.267SS..  trans-85.9155170.262.50000110.7I239 W243 S244 F245I239-T241 VanDerWaalsContact C-N 3.3Å; I239-T241 HydrophobicContact CG2-CG2 3.8Å; I239-T241 PolarHBondContact O-N 3.34Å; T241-W243 VanDerWaalsContact C-N 3.26Å; T241-W243 PolarHBondContact O-N 3.18Å; T241-S244 PolarHBondContact N-OG 2.61Å; T241-S244 PolarHBondContact O-N 3.21Å; T241-S244 VanDerWaalsContact O-N 3.11Å; T241-S244 PolarHBondContact O-OG 3.39Å; T241-S244 WeakPolarHBondContact OG1-CB 3.48Å; T241-S244 PolarHBondContact OG1-N 2.96Å; T241-S244 VanDerWaalsContact OG1-N 3.1Å; T241-S244 PolarHBondContact OG1-OG 3.26Å; T241-F245 WeakPolarHBondContact O-CD2 3.44Å; T241-F245 PolarHBondContact O-N 2.97Å
242P95.8Very high96.6Very high95 Ų9549.2 Ų49.262%0.61727%0.265SS*.Hα-helixtrans-57.9-40.5176.722.1-33.2000112F245 T246P242-F245 PolarHBondContact O-N 2.88Å; P242-T246 WeakPolarHBondContact O-CG2 3.42Å; P242-T246 PolarHBondContact O-N 3.11Å; P242-T246 PolarHBondContact O-OG1 3.46Å
243W97.4Very high96.7Very high218 Ų21848.9 Ų48.983%0.82626%0.263SS*.Hα-helixtrans-64.6-38.1175.9-60.596.5000112.9T241 T246 G247T241-W243 VanDerWaalsContact C-N 3.26Å; T241-W243 PolarHBondContact O-N 3.18Å; W243-T246 WeakPolarHBondContact CA-OG1 3.48Å; W243-T246 PolarHBondContact O-OG1 3.11Å; W243-G247 PolarHBondContact O-N 3.36Å
244S97Very high96.7Very high16 Ų1651 Ų5111%0.11228%0.28CS..Hα-helixtrans-71.1-38.417870.50000111.5A236 T241 A248A236-S244 WeakPolarHBondContact O-CB 3.33Å; A236-S244 PolarHBondContact O-OG 3.06Å; T241-S244 PolarHBondContact N-OG 2.61Å; T241-S244 PolarHBondContact O-N 3.21Å; T241-S244 VanDerWaalsContact O-N 3.11Å; T241-S244 PolarHBondContact O-OG 3.39Å; T241-S244 WeakPolarHBondContact OG1-CB 3.48Å; T241-S244 PolarHBondContact OG1-N 2.96Å; T241-S244 VanDerWaalsContact OG1-N 3.1Å; T241-S244 PolarHBondContact OG1-OG 3.26Å; S244-A248 WeakPolarHBondContact O-CB 3.45Å; S244-A248 PolarHBondContact O-N 3.46Å
245F96Very high96.7Very high51 Ų5151.1 Ų51.122%0.22428%0.281CS..Hα-helixtrans-65.6-44.9173.5-76.7-51.7000112.9M180 T183 I237 Q240 T241 P242 A248 V249M180-F245 HydrophobicContact CE-CD1 4.11Å; M180-F245 HydrophobicContact CG-CD1 3.94Å; M180-F245 HydrophobicContact CG-CE1 3.89Å; M180-F245 HydrophobicContact SD-CD1 4.36Å; T183-F245 HydrophobicContact CG2-CE1 4.33Å; T183-F245 HydrophobicContact CG2-CZ 3.95Å; I237-F245 HydrophobicContact CB-CE1 4.49Å; I237-F245 HydrophobicContact CG1-CE1 4.46Å; I237-F245 HydrophobicContact CG2-CE1 4.21Å; Q240-F245 HydrophobicContact CB-CE2 4.03Å; Q240-F245 HydrophobicContact CB-CZ 4.06Å; Q240-F245 HydrophobicContact CG-CE2 4.5Å; Q240-F245 HydrophobicContact CG-CZ 4.03Å; T241-F245 WeakPolarHBondContact O-CD2 3.44Å; T241-F245 PolarHBondContact O-N 2.97Å; P242-F245 PolarHBondContact O-N 2.88Å; F245-A248 PolarHBondContact O-N 2.96Å; F245-V249 WeakPolarHBondContact O-CG2 3.26Å; F245-V249 PolarHBondContact O-N 2.97Å
246T97.2Very high96.6Very high81 Ų8150.5 Ų50.550%0.49728%0.277SS..Hα-helixtrans-62.5-45.8177.354.40000111.1P242 W243 A248 V249 I250P242-T246 WeakPolarHBondContact O-CG2 3.42Å; P242-T246 PolarHBondContact O-N 3.11Å; P242-T246 PolarHBondContact O-OG1 3.46Å; W243-T246 WeakPolarHBondContact CA-OG1 3.48Å; W243-T246 PolarHBondContact O-OG1 3.11Å; T246-A248 PolarHBondContact O-N 3.27Å; T246-V249 PolarHBondContact O-N 2.95Å; T246-I250 VanDerWaalsContact O-CG1 3.28Å; T246-I250 WeakPolarHBondContact O-CG1 3.15Å; T246-I250 PolarHBondContact O-N 3.41Å
247G97.6Very high96.6Very high35 Ų3553 Ų5336%0.36129%0.288SS..Hα-helixtrans-59.3-44.1174.600000113W243 V249 I250 L251W243-G247 PolarHBondContact O-N 3.36Å; G247-V249 PolarHBondContact O-N 2.99Å; G247-I250 PolarHBondContact O-N 2.88Å; G247-L251 VanDerWaalsContact O-CB 3.3Å; G247-L251 WeakPolarHBondContact O-CB 3.45Å; G247-L251 PolarHBondContact O-N 2.9Å
248A97.1Very high96.7Very high2 Ų253.7 Ų53.72%0.01729%0.292CS..Hα-helixtrans-60.8-43.6177.600000112.4M180 V233 A236 I237 S244 F245 T246 M252M180-A248 HydrophobicContact CE-CB 3.49Å; M180-A248 VanDerWaalsContact CE-CB 3.49Å; V233-A248 HydrophobicContact CG1-CB 4.26Å; A236-A248 HydrophobicContact CB-CB 3.95Å; I237-A248 HydrophobicContact CG1-CB 4.23Å; S244-A248 WeakPolarHBondContact O-CB 3.45Å; S244-A248 PolarHBondContact O-N 3.46Å; F245-A248 PolarHBondContact O-N 2.96Å; T246-A248 PolarHBondContact O-N 3.27Å; A248-M252 WeakPolarHBondContact O-CB 3.28Å; A248-M252 VanDerWaalsContact O-CG 3.27Å; A248-M252 WeakPolarHBondContact O-CG 3.46Å; A248-M252 PolarHBondContact O-N 3.21Å
249V96.8Very high96.7Very high61 Ų6153 Ų5337%0.3729%0.289SS..Hα-helixtrans-65.6-44.7177.7174.90000111.4M180 F245 T246 G247 M252 I253M180-V249 HydrophobicContact CE-CG2 3.77Å; M180-V249 HydrophobicContact SD-CG2 3.85Å; F245-V249 WeakPolarHBondContact O-CG2 3.26Å; F245-V249 PolarHBondContact O-N 2.97Å; T246-V249 PolarHBondContact O-N 2.95Å; G247-V249 PolarHBondContact O-N 2.99Å; V249-M252 HydrophobicContact CG2-CE 4.15Å; V249-M252 PolarHBondContact O-N 3.19Å; V249-I253 HydrophobicContact CG1-CD1 4.06Å; V249-I253 WeakPolarHBondContact O-CG1 3.48Å; V249-I253 PolarHBondContact O-N 2.85Å; V249-I253 VanDerWaalsContact O-N 3.12Å
250I97.4Very high96.7Very high113 Ų11349 Ų4958%0.57927%0.269SS*.Hα-helixtrans-61.2-48.8178.1-66.7165.4000109.9T246 G247 M252 I253 A254T246-I250 VanDerWaalsContact O-CG1 3.28Å; T246-I250 WeakPolarHBondContact O-CG1 3.15Å; T246-I250 PolarHBondContact O-N 3.41Å; G247-I250 PolarHBondContact O-N 2.88Å; I250-M252 PolarHBondContact O-N 3.34Å; I250-I253 PolarHBondContact O-N 2.78Å; I250-A254 WeakPolarHBondContact O-CB 3.3Å; I250-A254 PolarHBondContact O-N 2.99Å
251L97.3Very high96.9Very high50 Ų5049.7 Ų49.726%0.26227%0.274SS..Hα-helixtrans-62.7-40.4179.2-174.566.4000111.9L232 V233 G247 I253 H255L232-L251 HydrophobicContact CB-CD2 3.77Å; V233-L251 HydrophobicContact CG2-CB 4.33Å; V233-L251 HydrophobicContact CG2-CD2 3.72Å; V233-L251 HydrophobicContact CG2-CG 4.11Å; G247-L251 VanDerWaalsContact O-CB 3.3Å; G247-L251 WeakPolarHBondContact O-CB 3.45Å; G247-L251 PolarHBondContact O-N 2.9Å; L251-I253 VanDerWaalsContact C-N 3.34Å; L251-I253 PolarHBondContact O-N 2.94Å; L251-H255 WeakPolarHBondContact O-CB 3.31Å; L251-H255 PolarHBondContact O-N 3.49Å
252M97.4Very high96.9Very high3 Ų347.5 Ų47.52%0.01526%0.26CS..Hα-helixtrans-59.3-43.3175.5-83.3-168.5-66.500112.3K173 M180 V233 A248 V249 I250 G256K173-M252 HydrophobicContact CB-SD 4.19Å; K173-M252 WeakPolarHBondContact CE-O 3.33Å; K173-M252 HydrophobicContact CG-CB 3.78Å; K173-M252 HydrophobicContact CG-CG 3.93Å; K173-M252 HydrophobicContact CG-SD 4.07Å; M180-M252 HydrophobicContact CE-CE 3.42Å; M180-M252 VanDerWaalsContact CE-CE 3.42Å; M180-M252 HydrophobicContact SD-CE 4.02Å; V233-M252 HydrophobicContact CB-CG 4.5Å; V233-M252 HydrophobicContact CG1-CG 3.75Å; V233-M252 HydrophobicContact CG1-SD 3.95Å; V233-M252 HydrophobicContact CG2-CG 3.9Å; A248-M252 WeakPolarHBondContact O-CB 3.28Å; A248-M252 VanDerWaalsContact O-CG 3.27Å; A248-M252 WeakPolarHBondContact O-CG 3.46Å; A248-M252 PolarHBondContact O-N 3.21Å; V249-M252 HydrophobicContact CG2-CE 4.15Å; V249-M252 PolarHBondContact O-N 3.19Å; I250-M252 PolarHBondContact O-N 3.34Å; M252-G256 PolarHBondContact O-N 3.04Å
253I97.7Very high97Very high64 Ų6443 Ų4333%0.32823%0.23SC..Hα-helixtrans-71.9-49.9179.4-64.4169.1000110.4V249 I250 L251 H255 G256 L257V249-I253 HydrophobicContact CG1-CD1 4.06Å; V249-I253 WeakPolarHBondContact O-CG1 3.48Å; V249-I253 PolarHBondContact O-N 2.85Å; V249-I253 VanDerWaalsContact O-N 3.12Å; I250-I253 PolarHBondContact O-N 2.78Å; L251-I253 VanDerWaalsContact C-N 3.34Å; L251-I253 PolarHBondContact O-N 2.94Å; I253-H255 PolarHBondContact O-N 3.22Å; I253-G256 PolarHBondContact O-N 2.88Å; I253-G256 VanDerWaalsContact O-N 3.1Å; I253-L257 PolarHBondContact O-N 3.27Å; I253-L257 VanDerWaalsContact O-N 3.14Å
254A97.2Very high96.9Very high44 Ų4434.9 Ų34.936%0.36421%0.206SC..Hα-helixtrans-57.2-52.1179.400000110.9I250 G256 L257 T258I250-A254 WeakPolarHBondContact O-CB 3.3Å; I250-A254 PolarHBondContact O-N 2.99Å; A254-G256 VanDerWaalsContact C-N 3.25Å; A254-G256 PolarHBondContact O-N 3.39Å; A254-L257 PolarHBondContact O-N 2.86Å; A254-L257 VanDerWaalsContact O-N 3.12Å; A254-T258 WeakPolarHBondContact O-CG2 3.26Å; A254-T258 PolarHBondContact O-N 3.43Å; A254-T258 PolarHBondContact O-OG1 3.13Å
255H97Very high96.9Very high4 Ų434.5 Ų34.52%0.01920%0.203CC..Hα-helixtrans-61-34.4177-178.761.7000112.3K173 S226 H229 M230 L251 I253 L257 T258 S259K173-H255 PolarHBondContact NZ-CD2 3.26Å; S226-H255 VanDerWaalsContact CA-CE1 3.5Å; S226-H255 WeakPolarHBondContact CA-CE1 3.28Å; S226-H255 WeakPolarHBondContact CA-NE2 3.35Å; S226-H255 VanDerWaalsContact CB-NE2 3.32Å; S226-H255 WeakPolarHBondContact CB-NE2 3.32Å; H229-H255 AromaticContact CD2-CE1 3.82Å; H229-H255 AromaticContact CD2-ND1 3.63Å; H229-H255 AromaticContact CG-ND1 3.9Å; M230-H255 HydrophobicContact CE-CB 4Å; M230-H255 WeakPolarHBondContact CE-CD2 3.45Å; L251-H255 WeakPolarHBondContact O-CB 3.31Å; L251-H255 PolarHBondContact O-N 3.49Å; I253-H255 PolarHBondContact O-N 3.22Å; H255-L257 VanDerWaalsContact C-N 3.33Å; H255-L257 PolarHBondContact O-N 3.2Å; H255-T258 WeakPolarHBondContact CA-OG1 3.44Å; H255-T258 PolarHBondContact O-N 3.09Å; H255-T258 PolarHBondContact O-OG1 2.78Å; H255-S259 VanDerWaalsContact O-CB 3.24Å; H255-S259 WeakPolarHBondContact O-CB 2.85Å; H255-S259 PolarHBondContact O-N 3.42Å; H255-S259 PolarHBondContact O-OG 2.89Å
256G95.9Very high96.9Very high0 Ų032.3 Ų32.30%020%0.195CC..Hα-helixtrans-62.5-38.9176.400000113.2A169 M252 I253 A254 S260A169-G256 WeakPolarHBondContact CB-O 3.01Å; M252-G256 PolarHBondContact O-N 3.04Å; I253-G256 PolarHBondContact O-N 2.88Å; I253-G256 VanDerWaalsContact O-N 3.1Å; A254-G256 VanDerWaalsContact C-N 3.25Å; A254-G256 PolarHBondContact O-N 3.39Å; G256-S260 WeakPolarHBondContact O-CB 3.47Å; G256-S260 PolarHBondContact O-N 3.35Å; G256-S260 PolarHBondContact O-OG 3.29Å
257L96.8Very high96.8Very high67 Ų6729.1 Ų29.135%0.35117%0.174SC..Hα-helixtrans-72.5-46.6175-65.2173000111.8L4 W7 I253 A254 H255 S260 L261L4-L257 HydrophobicContact CD1-CD2 3.41Å; L4-L257 VanDerWaalsContact CD1-CD2 3.41Å; L4-L257 HydrophobicContact CD1-CG 3.91Å; W7-L257 HydrophobicContact CE3-CD2 3.74Å; W7-L257 HydrophobicContact CH2-CD2 3.74Å; W7-L257 HydrophobicContact CZ3-CD2 3.13Å; I253-L257 PolarHBondContact O-N 3.27Å; I253-L257 VanDerWaalsContact O-N 3.14Å; A254-L257 PolarHBondContact O-N 2.86Å; A254-L257 VanDerWaalsContact O-N 3.12Å; H255-L257 VanDerWaalsContact C-N 3.33Å; H255-L257 PolarHBondContact O-N 3.2Å; L257-S260 PolarHBondContact O-OG 3.23Å; L257-L261 WeakPolarHBondContact O-CB 3.4Å; L257-L261 PolarHBondContact O-N 2.97Å; L257-L261 VanDerWaalsContact O-N 3.08Å
258T97.4Very high96.7Very high16 Ų1628.5 Ų28.510%0.09816%0.164CC..Hα-helixtrans-69.5-44.3-175.359.20000112.3A254 H255 L261 L262 A301A254-T258 WeakPolarHBondContact O-CG2 3.26Å; A254-T258 PolarHBondContact O-N 3.43Å; A254-T258 PolarHBondContact O-OG1 3.13Å; H255-T258 WeakPolarHBondContact CA-OG1 3.44Å; H255-T258 PolarHBondContact O-N 3.09Å; H255-T258 PolarHBondContact O-OG1 2.78Å; T258-L261 PolarHBondContact O-N 3.2Å; T258-L262 WeakPolarHBondContact O-CG 3Å; T258-L262 PolarHBondContact O-N 3.4Å; T258-A301 HydrophobicContact CG2-CB 3.52Å
259S95.9Very high96.6Very high0 Ų028.9 Ų28.90%017%0.166CC..Hα-helixtrans-64.9-40.9177.859.30000112.5A168 H255 L261 L262 F263A168-S259 WeakPolarHBondContact CB-OG 3.25Å; H255-S259 VanDerWaalsContact O-CB 3.24Å; H255-S259 WeakPolarHBondContact O-CB 2.85Å; H255-S259 PolarHBondContact O-N 3.42Å; H255-S259 PolarHBondContact O-OG 2.89Å; S259-L261 VanDerWaalsContact C-N 3.35Å; S259-L261 PolarHBondContact O-N 3.29Å; S259-L262 PolarHBondContact O-N 3.06Å; S259-F263 WeakPolarHBondContact O-CD2 3.42Å; S259-F263 PolarHBondContact O-N 3.45Å
260S96.1Very high96.4Very high6 Ų627.6 Ų27.64%0.04216%0.155CC..Hα-helixtrans-65.2-38.4176.758.30000112.2G256 L257 C264G256-S260 WeakPolarHBondContact O-CB 3.47Å; G256-S260 PolarHBondContact O-N 3.35Å; G256-S260 PolarHBondContact O-OG 3.29Å; L257-S260 PolarHBondContact O-OG 3.23Å; S260-C264 WeakPolarHBondContact O-CB 3.46Å; S260-C264 PolarHBondContact O-N 3.41Å
261L97.1Very high96.2Very high60 Ų6023.9 Ų23.931%0.31414%0.135SC..Hα-helixtrans-61.5-50.3171.2-179.563.1000111.2L257 T258 S259 F263 C264 L265 A298L257-L261 WeakPolarHBondContact O-CB 3.4Å; L257-L261 PolarHBondContact O-N 2.97Å; L257-L261 VanDerWaalsContact O-N 3.08Å; T258-L261 PolarHBondContact O-N 3.2Å; S259-L261 VanDerWaalsContact C-N 3.35Å; S259-L261 PolarHBondContact O-N 3.29Å; L261-F263 VanDerWaalsContact C-N 3.35Å; L261-F263 PolarHBondContact O-N 3.01Å; L261-C264 CarbonylContact O-C 3.6Å; L261-C264 WeakPolarHBondContact O-CA 3.3Å; L261-C264 VanDerWaalsContact O-CB 3.31Å; L261-C264 WeakPolarHBondContact O-CB 3.46Å; L261-C264 PolarHBondContact O-N 3.45Å; L261-L265 HydrophobicContact CD1-CD2 4.42Å; L261-L265 HydrophobicContact CD1-CG 4.37Å; L261-L265 HydrophobicContact CG-CD1 4.31Å; L261-L265 HydrophobicContact CG-CG 4.39Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 3.02Å; L261-A298 HydrophobicContact CD2-CB 3.68Å; L261-A298 HydrophobicContact CG-CB 4.09Å
262L97.1Very high96Very high11 Ų1127.6 Ų27.66%0.05815%0.146CC..Hα-helixtrans-58.5-42.7179-74.3171.1000112.4I222 T258 S259 C264 L265 A266 W295 A298 N302I222-L262 HydrophobicContact CD1-CB 3.95Å; I222-L262 WeakPolarHBondContact CD1-O 2.99Å; I222-L262 HydrophobicContact CG1-CB 4.17Å; I222-L262 HydrophobicContact CG2-CB 3.97Å; I222-L262 HydrophobicContact CG2-CD1 4.47Å; T258-L262 WeakPolarHBondContact O-CG 3Å; T258-L262 PolarHBondContact O-N 3.4Å; S259-L262 PolarHBondContact O-N 3.06Å; L262-C264 VanDerWaalsContact C-N 3.3Å; L262-C264 PolarHBondContact O-N 2.93Å; L262-L265 PolarHBondContact O-N 3.12Å; L262-A266 WeakPolarHBondContact O-CB 3.25Å; L262-A266 PolarHBondContact O-N 3.3Å; L262-W295 HydrophobicContact CD2-CE3 4.36Å; L262-W295 HydrophobicContact CD2-CZ3 4.01Å; L262-A298 HydrophobicContact CD2-CB 3.66Å; L262-A298 HydrophobicContact CG-CB 4.14Å; L262-N302 HydrophobicContact CD1-CB 4.08Å
263F97.3Very high95.7Very high0 Ų030.2 Ų30.20%016%0.162CC..Hα-helixtrans-63.5-35.5174.2-81.4-64.4000112.3H156 I161 A168 K219 I222 S259 L261 A266 N267H156-F263 HydrophobicContact CB-CE1 4.1Å; H156-F263 HydrophobicContact CB-CZ 3.9Å; H156-F263 AromaticContact CE1-CE2 3.94Å; H156-F263 AromaticContact CG-CZ 3.74Å; H156-F263 AromaticContact ND1-CE1 3.96Å; H156-F263 AromaticContact ND1-CE2 3.44Å; H156-F263 WeakPolarHBondContact ND1-CE2 3.22Å; H156-F263 AromaticContact ND1-CZ 3.23Å; H156-F263 WeakPolarHBondContact ND1-CZ 3.28Å; I161-F263 HydrophobicContact CD1-CB 4.07Å; I161-F263 WeakPolarHBondContact CD1-O 3.06Å; A168-F263 HydrophobicContact CB-CD2 3.83Å; A168-F263 HydrophobicContact CB-CE2 3.68Å; K219-F263 HydrophobicContact CB-CE1 4.46Å; K219-F263 HydrophobicContact CG-CD1 4.44Å; K219-F263 HydrophobicContact CG-CE1 4.5Å; I222-F263 HydrophobicContact CB-CE1 4.06Å; I222-F263 HydrophobicContact CB-CE2 4.39Å; I222-F263 HydrophobicContact CB-CZ 3.96Å; I222-F263 HydrophobicContact CD1-CD1 4.42Å; I222-F263 HydrophobicContact CG2-CD1 4.29Å; I222-F263 HydrophobicContact CG2-CD2 3.85Å; I222-F263 HydrophobicContact CG2-CE1 3.99Å; I222-F263 HydrophobicContact CG2-CE2 3.5Å; I222-F263 HydrophobicContact CG2-CG 4.22Å; I222-F263 HydrophobicContact CG2-CZ 3.58Å; S259-F263 WeakPolarHBondContact O-CD2 3.42Å; S259-F263 PolarHBondContact O-N 3.45Å; L261-F263 VanDerWaalsContact C-N 3.35Å; L261-F263 PolarHBondContact O-N 3.01Å; F263-A266 WeakPolarHBondContact O-CB 3.31Å; F263-N267 WeakPolarHBondContact O-CB 3.31Å; F263-N267 PolarHBondContact O-N 3.37Å
264C96.3Very high95.5Very high48 Ų4834 Ų3432%0.32418%0.178SC..Hα-helixtrans-66.8-44.2174.1-168.50000111.7S260 L261 L262 A266 N267 S268S260-C264 WeakPolarHBondContact O-CB 3.46Å; S260-C264 PolarHBondContact O-N 3.41Å; L261-C264 CarbonylContact O-C 3.6Å; L261-C264 WeakPolarHBondContact O-CA 3.3Å; L261-C264 VanDerWaalsContact O-CB 3.31Å; L261-C264 WeakPolarHBondContact O-CB 3.46Å; L261-C264 PolarHBondContact O-N 3.45Å; L262-C264 VanDerWaalsContact C-N 3.3Å; L262-C264 PolarHBondContact O-N 2.93Å; C264-A266 VanDerWaalsContact C-N 3.33Å; C264-A266 PolarHBondContact O-N 2.92Å; C264-N267 WeakPolarHBondContact O-CB 3.47Å; C264-N267 PolarHBondContact O-N 3.2Å; C264-N267 VanDerWaalsContact O-N 3.13Å; C264-S268 PolarHBondContact O-N 3.44Å
265L96.4Very high95.1Very high9 Ų933.4 Ų33.45%0.04717%0.171CC..Hα-helixtrans-62.1-42.7176.3-60.3176.3000111.1L261 L262 N267 S268 N269 M291 W294 W295 A298L261-L265 HydrophobicContact CD1-CD2 4.42Å; L261-L265 HydrophobicContact CD1-CG 4.37Å; L261-L265 HydrophobicContact CG-CD1 4.31Å; L261-L265 HydrophobicContact CG-CG 4.39Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 3.02Å; L262-L265 PolarHBondContact O-N 3.12Å; L265-N267 VanDerWaalsContact C-N 3.32Å; L265-N267 PolarHBondContact O-N 2.82Å; L265-S268 PolarHBondContact O-N 3.46Å; L265-S268 PolarHBondContact O-OG 3Å; L265-N269 PolarHBondContact O-N 2.94Å; L265-M291 HydrophobicContact CB-CE 3.73Å; L265-M291 HydrophobicContact CD2-CE 3.19Å; L265-M291 HydrophobicContact CD2-SD 3.8Å; L265-M291 HydrophobicContact CG-CE 4Å; L265-W294 HydrophobicContact CD2-CB 3.92Å; L265-W295 HydrophobicContact CB-CD2 4.17Å; L265-W295 HydrophobicContact CB-CH2 4.26Å; L265-W295 HydrophobicContact CB-CZ2 3.65Å; L265-W295 HydrophobicContact CD1-CB 4.5Å; L265-W295 HydrophobicContact CD1-CD2 3.91Å; L265-W295 HydrophobicContact CD1-CE3 4.25Å; L265-W295 HydrophobicContact CD1-CG 4.01Å; L265-A298 HydrophobicContact CD1-CB 3.67Å
266A95.9Very high94.8Very high5 Ų535.7 Ų35.74%0.04118%0.18CC..Hα-helixtrans-55.2-46171.700000112.3L218 K219 I222 L262 F263 C264 S268 N269 Y270L218-A266 HydrophobicContact CD2-CB 3.09Å; K219-A266 HydrophobicContact CG-CB 4.35Å; I222-A266 HydrophobicContact CD1-CB 3.85Å; L262-A266 WeakPolarHBondContact O-CB 3.25Å; L262-A266 PolarHBondContact O-N 3.3Å; F263-A266 WeakPolarHBondContact O-CB 3.31Å; C264-A266 VanDerWaalsContact C-N 3.33Å; C264-A266 PolarHBondContact O-N 2.92Å; A266-S268 VanDerWaalsContact C-N 3.34Å; A266-S268 PolarHBondContact O-N 2.94Å; A266-N269 PolarHBondContact O-N 3.37Å; A266-Y270 PolarHBondContact O-N 3.43Å
267N95.5Very high94.6Very high13 Ų1339.3 Ų39.37%0.0720%0.198CC..Hα-helixtrans-64.5-38.5179.5-172.259.7000112.2I161 F263 C264 L265 N269 Y270 E271I161-N267 HydrophobicContact CB-CB 4.22Å; I161-N267 HydrophobicContact CD1-CB 3.75Å; I161-N267 HydrophobicContact CG1-CB 3.85Å; F263-N267 WeakPolarHBondContact O-CB 3.31Å; F263-N267 PolarHBondContact O-N 3.37Å; C264-N267 WeakPolarHBondContact O-CB 3.47Å; C264-N267 PolarHBondContact O-N 3.2Å; C264-N267 VanDerWaalsContact O-N 3.13Å; L265-N267 VanDerWaalsContact C-N 3.32Å; L265-N267 PolarHBondContact O-N 2.82Å; N267-N269 PolarHBondContact O-N 3.26Å; N267-Y270 CarbonylContact O-C 3.2Å; N267-Y270 WeakPolarHBondContact O-CB 3.47Å; N267-Y270 PolarHBondContact O-N 3.17Å; N267-Y270 VanDerWaalsContact O-N 3.11Å; N267-E271 PolarHBondContact ND2-OE1 3.42Å; N267-E271 WeakPolarHBondContact O-CG 3.39Å; N267-E271 PolarHBondContact O-N 2.87Å
268S94.9Very high94.4Very high22 Ų2239.9 Ų39.915%0.15420%0.2CC..Hα-helixtrans-64.1-29.7178.780.50000113.4C264 L265 A266 R272 M291C264-S268 PolarHBondContact O-N 3.44Å; L265-S268 PolarHBondContact O-N 3.46Å; L265-S268 PolarHBondContact O-OG 3Å; A266-S268 VanDerWaalsContact C-N 3.34Å; A266-S268 PolarHBondContact O-N 2.94Å; S268-R272 PolarHBondContact O-NH1 3.21Å; S268-M291 WeakPolarHBondContact OG-CE 3.48Å
269N94.6Very high94.1Very high11 Ų1144.2 Ų44.26%0.05922%0.222CC..Hα-helixtrans-75.5-42.8172.1-70.9-6.9000110.2L265 A266 N267 E271 R272 T273 L284L265-N269 PolarHBondContact O-N 2.94Å; A266-N269 PolarHBondContact O-N 3.37Å; N267-N269 PolarHBondContact O-N 3.26Å; N269-E271 PolarHBondContact O-N 3.46Å; N269-R272 PolarHBondContact O-N 2.69Å; N269-R272 VanDerWaalsContact O-N 3.16Å; N269-T273 PolarHBondContact O-N 3.3Å; N269-T273 PolarHBondContact O-OG1 2.99Å; N269-L284 WeakPolarHBondContact OD1-CD1 3.49Å
270Y94.2Very high93.7Very high33 Ų3349.6 Ų49.613%0.12925%0.249CC..Hα-helixtrans-61.7-40.8178.7-179.2-97000112.7N74 A266 N267 R272 H274 R276N74-Y270 WeakPolarHBondContact ND2-CE1 3.36Å; N74-Y270 PolarHBondContact ND2-OH 2.96Å; A266-Y270 PolarHBondContact O-N 3.43Å; N267-Y270 CarbonylContact O-C 3.2Å; N267-Y270 WeakPolarHBondContact O-CB 3.47Å; N267-Y270 PolarHBondContact O-N 3.17Å; N267-Y270 VanDerWaalsContact O-N 3.11Å; Y270-R272 PolarHBondContact O-N 2.89Å; Y270-H274 WeakPolarHBondContact O-CA 3.33Å; Y270-H274 PolarHBondContact O-N 3.45Å; Y270-R276 HydrophobicContact CD2-CG 3.71Å; Y270-R276 HydrophobicContact CE2-CG 3.79Å
271E92.8Very high93.2Very high36 Ų3650.4 Ų50.417%0.16826%0.255CS..Hα-helixtrans-66.3-16177.4-74.5-177.8179.500114.1R18 N267 N269R18-E271 VanDerWaalsContact CD-OE2 3.23Å; R18-E271 WeakPolarHBondContact CD-OE2 3.45Å; R18-E271 IonicContact CZ-OE2 3.55Å; R18-E271 IonicContact NE-OE2 3Å; R18-E271 IonicContact NH1-OE2 2.87Å; R18-E271 PolarHBondContact NH1-OE2 3.4Å; N267-E271 PolarHBondContact ND2-OE1 3.42Å; N267-E271 WeakPolarHBondContact O-CG 3.39Å; N267-E271 PolarHBondContact O-N 2.87Å; N269-E271 PolarHBondContact O-N 3.46Å
272R92.6Very high92.9Very high127 Ų12754.2 Ų54.248%0.47927%0.272SS..Hα-helixtrans-99.3-41.2177.1-66-178-179.3103.1-8.8112.4S268 N269 Y270S268-R272 PolarHBondContact O-NH1 3.21Å; N269-R272 PolarHBondContact O-N 2.69Å; N269-R272 VanDerWaalsContact O-N 3.16Å; Y270-R272 PolarHBondContact O-N 2.89Å
273T91.8Very high92.6Very high58 Ų5856.2 Ų56.236%0.35629%0.294SS..Hα-helixtrans-100.4-12.3-172.2600000113.5N269 S275N269-T273 PolarHBondContact O-N 3.3Å; N269-T273 PolarHBondContact O-OG1 2.99Å; T273-S275 PolarHBondContact O-N 3.2Å; T273-S275 PolarHBondContact OG1-O 3.39Å
274H91.9Very high92.3Very high145 Ų14558.4 Ų58.467%0.67131%0.306SS*.SBendtrans51.717.4-174-65.3-68.3000115.2Y270Y270-H274 WeakPolarHBondContact O-CA 3.33Å; Y270-H274 PolarHBondContact O-N 3.45Å
275S90.2Very high92.2Very high31 Ų3163.1 Ų63.122%0.21732%0.323CS..  trans-130.9150.5179.964.50000110.5T273 L280T273-S275 PolarHBondContact O-N 3.2Å; T273-S275 PolarHBondContact OG1-O 3.39Å; S275-L280 WeakPolarHBondContact OG-CD1 3.47Å
276R90.1Very high92.2Very high52 Ų5268.7 Ų68.720%0.19636%0.358CS..  trans-97.2-5.1-179.9-61.1-175.8-68.3-157.11.6112.9V157 E158 L218 Y270 M278V157-R276 PolarHBondContact O-NH1 3.28Å; E158-R276 IonicContact OE1-CZ 3.55Å; E158-R276 IonicContact OE1-NH1 2.79Å; E158-R276 PolarHBondContact OE1-NH1 3.49Å; E158-R276 IonicContact OE1-NH2 3.24Å; E158-R276 PolarHBondContact OE1-NH2 3.2Å; E158-R276 IonicContact OE2-NH1 3.55Å; L218-R276 PolarHBondContact N-O 2.95Å; Y270-R276 HydrophobicContact CD2-CG 3.71Å; Y270-R276 HydrophobicContact CE2-CG 3.79Å; R276-M278 PolarHBondContact O-N 3.47Å
277I92.8Very high92.1Very high75 Ų7574.5 Ų74.539%0.38539%0.387SS..BIsolated β-bridgetrans-77.2120.5-172.1-60.1169.4000109.3I279 L280I277-I279 VanDerWaalsContact C-N 3.3Å; I277-I279 HydrophobicContact CG2-CB 4.3Å; I277-I279 PolarHBondContact O-N 3.42Å; I277-L280 HydrophobicContact CB-CD1 3.96Å; I277-L280 HydrophobicContact CB-CG 4.15Å; I277-L280 HydrophobicContact CD1-CD1 4.12Å; I277-L280 HydrophobicContact CG2-CD1 4.43Å; I277-L280 HydrophobicContact CG2-CG 4.17Å; I277-L280 PolarHBondContact O-N 3.14Å
278M90.8Very high92.1Very high80 Ų8076.3 Ų76.339%0.39440%0.397SS..G310 helixtrans-62.4-34.7-174.8-176.2173.662.700113.3T216 L218 L221 R276 L280 S281T216-M278 WeakPolarHBondContact O-CB 3.34Å; T216-M278 PolarHBondContact O-N 3.18Å; L218-M278 HydrophobicContact CB-CB 4.48Å; L221-M278 HydrophobicContact CD1-SD 4.42Å; R276-M278 PolarHBondContact O-N 3.47Å; M278-L280 PolarHBondContact O-N 3.24Å; M278-S281 PolarHBondContact O-N 3.46Å; M278-S281 PolarHBondContact O-OG 3.03Å; M278-S281 VanDerWaalsContact O-OG 3.11Å
279I91.2Very high92Very high107 Ų10779.6 Ų79.655%0.54942%0.418SS..G310 helixtrans-66.2-27.4-178.4-61.7169.7000111.6I277 S281 Q282I277-I279 VanDerWaalsContact C-N 3.3Å; I277-I279 HydrophobicContact CG2-CB 4.3Å; I277-I279 PolarHBondContact O-N 3.42Å; I279-S281 VanDerWaalsContact C-N 3.29Å; I279-S281 PolarHBondContact O-N 3.17Å; I279-Q282 WeakPolarHBondContact O-CG 3.38Å
280L88.9Confident92.1Very high112 Ų11284.8 Ų84.859%0.58645%0.445SS*.G310 helixtrans-74.6-20.9178.3-65.7176.4000112.7S275 I277 M278S275-L280 WeakPolarHBondContact OG-CD1 3.47Å; I277-L280 HydrophobicContact CB-CD1 3.96Å; I277-L280 HydrophobicContact CB-CG 4.15Å; I277-L280 HydrophobicContact CD1-CD1 4.12Å; I277-L280 HydrophobicContact CG2-CD1 4.43Å; I277-L280 HydrophobicContact CG2-CG 4.17Å; I277-L280 PolarHBondContact O-N 3.14Å; M278-L280 PolarHBondContact O-N 3.24Å
281S86.1Confident92.2Very high23 Ų2384.9 Ų84.916%0.16145%0.447CS..G310 helixtrans-105.747.2-176.762.50000112.7M278 I279M278-S281 PolarHBondContact O-N 3.46Å; M278-S281 PolarHBondContact O-OG 3.03Å; M278-S281 VanDerWaalsContact O-OG 3.11Å; I279-S281 VanDerWaalsContact C-N 3.29Å; I279-S281 PolarHBondContact O-N 3.17Å
282Q89.9Confident92.3Very high141 Ų14184.4 Ų84.466%0.65945%0.449SS*.  trans-86.3159.5177.3-71178.3100112.3I279 L284I279-Q282 WeakPolarHBondContact O-CG 3.38Å; Q282-L284 VanDerWaalsContact C-N 3.26Å; Q282-L284 PolarHBondContact O-N 3.02Å
283G90.3Very high92.5Very high52 Ų5283.5 Ų83.554%0.53645%0.449SS..  trans70.112.1174.100000115.8Q285 T286G283-Q285 PolarHBondContact O-N 2.95Å; G283-T286 PolarHBondContact O-N 3.44Å; G283-T286 PolarHBondContact O-OG1 2.98Å
284L91.6Very high92.7Very high46 Ų4686.4 Ų86.424%0.24145%0.453CS..Hα-helixtrans-62.9-17-176.2-72.3174.3000114.7N269 Q282 T286 L287 L288N269-L284 WeakPolarHBondContact OD1-CD1 3.49Å; Q282-L284 VanDerWaalsContact C-N 3.26Å; Q282-L284 PolarHBondContact O-N 3.02Å; L284-T286 PolarHBondContact O-N 3.4Å; L284-L287 HydrophobicContact CD2-CD1 4.43Å; L284-L287 PolarHBondContact O-N 3.49Å; L284-L288 PolarHBondContact O-N 3.31Å
285Q94.6Very high93Very high147 Ų14782.5 Ų82.569%0.68743%0.433SS*.Hα-helixtrans-64.7-37.8178.8-176.8177.4-0.600113G283 L287 A292G283-Q285 PolarHBondContact O-N 2.95Å; Q285-L287 VanDerWaalsContact C-N 3.31Å; Q285-A292 HydrophobicContact CB-CB 4Å; Q285-A292 HydrophobicContact CG-CB 3.91Å
286T94.8Very high93.3Very high127 Ų12785.5 Ų85.578%0.77945%0.446SS*.Hα-helixtrans-71.8-30.4178.957.20000111.6G283 L284G283-T286 PolarHBondContact O-N 3.44Å; G283-T286 PolarHBondContact O-OG1 2.98Å; L284-T286 PolarHBondContact O-N 3.4Å
287L94.1Very high93.6Very high126 Ų12686.3 Ų86.366%0.6645%0.453SS*.Hα-helixtrans-84.8-41-178.4-63.6172.7000113.1L284 Q285L284-L287 HydrophobicContact CD2-CD1 4.43Å; L284-L287 PolarHBondContact O-N 3.49Å; Q285-L287 VanDerWaalsContact C-N 3.31Å
288L95.8Very high93.8Very high51 Ų5182.7 Ų82.727%0.26744%0.435SS..  trans-134.173.3-172.2-61.4169.8000110.4L284 L290 M291 A292L284-L288 PolarHBondContact O-N 3.31Å; L288-L290 PolarHBondContact O-N 2.97Å; L288-M291 HydrophobicContact CB-CB 3.65Å; L288-M291 HydrophobicContact CD1-CB 4.49Å; L288-M291 WeakPolarHBondContact O-CB 3.41Å; L288-M291 PolarHBondContact O-N 3.26Å; L288-M291 VanDerWaalsContact O-N 3.11Å; L288-A292 PolarHBondContact O-N 2.85Å
289P93.9Very high94.1Very high92 Ų9281.6 Ų81.660%0.59744%0.435SS*.Hα-helixtrans-63.1-39.1-172.223.5-34000113.1M291 A292 F293P289-M291 VanDerWaalsContact C-N 3.33Å; P289-M291 PolarHBondContact O-N 2.99Å; P289-A292 PolarHBondContact O-N 3.46Å; P289-F293 PolarHBondContact O-N 2.82Å
290L96.8Very high94.3Very high120 Ų12081.3 Ų81.363%0.62843%0.434SS*.Hα-helixtrans-66.2-37.8176.2-174.165.5000111.6L288 A292 F293 W294L288-L290 PolarHBondContact O-N 2.97Å; L290-A292 VanDerWaalsContact C-N 3.34Å; L290-F293 WeakPolarHBondContact O-CB 3.35Å; L290-F293 PolarHBondContact O-N 2.92Å; L290-W294 PolarHBondContact O-N 2.92Å; L290-W294 VanDerWaalsContact O-N 3.16Å
291M95.4Very high94.6Very high35 Ų3578.7 Ų78.717%0.17243%0.429CS..Hα-helixtrans-66.3-39.3175.8-173.863.5-17000111.3L265 S268 L288 P289 F293 W294 W295L265-M291 HydrophobicContact CB-CE 3.73Å; L265-M291 HydrophobicContact CD2-CE 3.19Å; L265-M291 HydrophobicContact CD2-SD 3.8Å; L265-M291 HydrophobicContact CG-CE 4Å; S268-M291 WeakPolarHBondContact OG-CE 3.48Å; L288-M291 HydrophobicContact CB-CB 3.65Å; L288-M291 HydrophobicContact CD1-CB 4.49Å; L288-M291 WeakPolarHBondContact O-CB 3.41Å; L288-M291 PolarHBondContact O-N 3.26Å; L288-M291 VanDerWaalsContact O-N 3.11Å; P289-M291 VanDerWaalsContact C-N 3.33Å; P289-M291 PolarHBondContact O-N 2.99Å; M291-F293 VanDerWaalsContact C-N 3.31Å; M291-F293 PolarHBondContact O-N 3.21Å; M291-W294 PolarHBondContact O-N 2.93Å; M291-W295 PolarHBondContact O-N 3.26Å
292A95Very high95Very high25 Ų2579.1 Ų79.121%0.20743%0.429CS..Hα-helixtrans-63.8-36.5174.600000112Q285 L288 P289 L290 W295 L296Q285-A292 HydrophobicContact CB-CB 4Å; Q285-A292 HydrophobicContact CG-CB 3.91Å; L288-A292 PolarHBondContact O-N 2.85Å; P289-A292 PolarHBondContact O-N 3.46Å; L290-A292 VanDerWaalsContact C-N 3.34Å; A292-W295 WeakPolarHBondContact O-CB 3.45Å; A292-W295 PolarHBondContact O-N 3.25Å; A292-L296 PolarHBondContact O-N 3.33Å
293F96.1Very high94.8Very high108 Ų10881.6 Ų81.647%0.47445%0.446SS..Hα-helixtrans-60.5-44.1171.7177.2-103.4000112.1P289 L290 M291 W295 L296 L297P289-F293 PolarHBondContact O-N 2.82Å; L290-F293 WeakPolarHBondContact O-CB 3.35Å; L290-F293 PolarHBondContact O-N 2.92Å; M291-F293 VanDerWaalsContact C-N 3.31Å; M291-F293 PolarHBondContact O-N 3.21Å; F293-W295 PolarHBondContact O-N 3.06Å; F293-L296 PolarHBondContact O-N 3.3Å; F293-L297 HydrophobicContact CD1-CD1 3.92Å; F293-L297 HydrophobicContact CD1-CG 4.46Å; F293-L297 HydrophobicContact CE1-CD1 3.29Å; F293-L297 HydrophobicContact CE1-CG 4.03Å; F293-L297 HydrophobicContact CE2-CD1 4.38Å; F293-L297 HydrophobicContact CE2-CG 4.3Å; F293-L297 HydrophobicContact CZ-CD1 3.56Å; F293-L297 HydrophobicContact CZ-CD2 4.24Å; F293-L297 HydrophobicContact CZ-CG 3.94Å; F293-L297 PolarHBondContact O-N 3.16Å
294W97.4Very high95Very high119 Ų11983.1 Ų83.145%0.45144%0.441SS..Hα-helixtrans-64.2-37.4174.3-70.2110.6000113L265 L290 M291 L297 A298L265-W294 HydrophobicContact CD2-CB 3.92Å; L290-W294 PolarHBondContact O-N 2.92Å; L290-W294 VanDerWaalsContact O-N 3.16Å; M291-W294 PolarHBondContact O-N 2.93Å; W294-L297 HydrophobicContact CE3-CD1 4.14Å; W294-L297 HydrophobicContact CZ3-CD1 4.26Å; W294-L297 PolarHBondContact O-N 2.95Å; W294-A298 VanDerWaalsContact O-CB 3.26Å; W294-A298 WeakPolarHBondContact O-CB 3.21Å; W294-A298 PolarHBondContact O-N 2.88Å
295W96.4Very high95.2Very high64 Ų6485 Ų8524%0.24245%0.452CS..Hα-helixtrans-61.2-42.4171.3-91.6104.6000112.6L218 L262 L265 M291 A292 F293 A298 S299L218-W295 HydrophobicContact CD1-CH2 3.84Å; L218-W295 HydrophobicContact CD1-CZ2 4.17Å; L218-W295 HydrophobicContact CD2-CH2 3.99Å; L218-W295 HydrophobicContact CD2-CZ2 4.48Å; L218-W295 HydrophobicContact CG-CH2 4.25Å; L262-W295 HydrophobicContact CD2-CE3 4.36Å; L262-W295 HydrophobicContact CD2-CZ3 4.01Å; L265-W295 HydrophobicContact CB-CD2 4.17Å; L265-W295 HydrophobicContact CB-CH2 4.26Å; L265-W295 HydrophobicContact CB-CZ2 3.65Å; L265-W295 HydrophobicContact CD1-CB 4.5Å; L265-W295 HydrophobicContact CD1-CD2 3.91Å; L265-W295 HydrophobicContact CD1-CE3 4.25Å; L265-W295 HydrophobicContact CD1-CG 4.01Å; M291-W295 PolarHBondContact O-N 3.26Å; A292-W295 WeakPolarHBondContact O-CB 3.45Å; A292-W295 PolarHBondContact O-N 3.25Å; F293-W295 PolarHBondContact O-N 3.06Å; W295-A298 PolarHBondContact O-N 3.07Å; W295-S299 WeakPolarHBondContact O-CB 3.49Å; W295-S299 PolarHBondContact O-N 3.05Å; W295-S299 PolarHBondContact O-OG 3.43Å
296L97Very high95.3Very high94 Ų9481.6 Ų81.649%0.49244%0.439SS..Hα-helixtrans-65-46.2176.6-178139.5000111.3A292 F293 A298 S299 L300A292-L296 PolarHBondContact O-N 3.33Å; F293-L296 PolarHBondContact O-N 3.3Å; L296-A298 PolarHBondContact O-N 2.9Å; L296-S299 WeakPolarHBondContact CA-OG 3.44Å; L296-S299 PolarHBondContact O-N 2.68Å; L296-S299 PolarHBondContact O-OG 3.06Å; L296-L300 HydrophobicContact CD2-CD1 3.59Å; L296-L300 HydrophobicContact CD2-CG 4.42Å; L296-L300 HydrophobicContact CG-CD1 4.24Å; L296-L300 WeakPolarHBondContact O-CB 3.15Å; L296-L300 WeakPolarHBondContact O-CG 3.4Å; L296-L300 PolarHBondContact O-N 3.11Å
297L97.4Very high95.3Very high68 Ų6878.9 Ų78.936%0.35642%0.419SS..Hα-helixtrans-61-44.8175.3-74.3178.6000112.4F293 W294 S299 L300 A301F293-L297 HydrophobicContact CD1-CD1 3.92Å; F293-L297 HydrophobicContact CD1-CG 4.46Å; F293-L297 HydrophobicContact CE1-CD1 3.29Å; F293-L297 HydrophobicContact CE1-CG 4.03Å; F293-L297 HydrophobicContact CE2-CD1 4.38Å; F293-L297 HydrophobicContact CE2-CG 4.3Å; F293-L297 HydrophobicContact CZ-CD1 3.56Å; F293-L297 HydrophobicContact CZ-CD2 4.24Å; F293-L297 HydrophobicContact CZ-CG 3.94Å; F293-L297 PolarHBondContact O-N 3.16Å; W294-L297 HydrophobicContact CE3-CD1 4.14Å; W294-L297 HydrophobicContact CZ3-CD1 4.26Å; W294-L297 PolarHBondContact O-N 2.95Å; L297-S299 VanDerWaalsContact C-N 3.35Å; L297-S299 PolarHBondContact O-N 3.22Å; L297-L300 PolarHBondContact O-N 3.32Å; L297-A301 WeakPolarHBondContact O-CB 3.47Å; L297-A301 PolarHBondContact O-N 3.24Å
298A96.8Very high95.4Very high0 Ų075.9 Ų75.90%040%0.404CS..Hα-helixtrans-66.4-36.9-179.500000112.4L261 L262 L265 W294 W295 L296 N302L261-A298 HydrophobicContact CD2-CB 3.68Å; L261-A298 HydrophobicContact CG-CB 4.09Å; L262-A298 HydrophobicContact CD2-CB 3.66Å; L262-A298 HydrophobicContact CG-CB 4.14Å; L265-A298 HydrophobicContact CD1-CB 3.67Å; W294-A298 VanDerWaalsContact O-CB 3.26Å; W294-A298 WeakPolarHBondContact O-CB 3.21Å; W294-A298 PolarHBondContact O-N 2.88Å; W295-A298 PolarHBondContact O-N 3.07Å; L296-A298 PolarHBondContact O-N 2.9Å; A298-N302 WeakPolarHBondContact O-CB 2.95Å; A298-N302 PolarHBondContact O-N 3.05Å; A298-N302 VanDerWaalsContact O-N 3.15Å
299S95.8Very high95.3Very high56 Ų5677.6 Ų77.639%0.39241%0.413SS..Hα-helixtrans-70.5-43.7175.953.70000111.9W295 L296 L297 A301 N302 L303W295-S299 WeakPolarHBondContact O-CB 3.49Å; W295-S299 PolarHBondContact O-N 3.05Å; W295-S299 PolarHBondContact O-OG 3.43Å; L296-S299 WeakPolarHBondContact CA-OG 3.44Å; L296-S299 PolarHBondContact O-N 2.68Å; L296-S299 PolarHBondContact O-OG 3.06Å; L297-S299 VanDerWaalsContact C-N 3.35Å; L297-S299 PolarHBondContact O-N 3.22Å; S299-A301 VanDerWaalsContact C-N 3.3Å; S299-A301 PolarHBondContact O-N 3.16Å; S299-N302 PolarHBondContact O-N 2.94Å; S299-N302 VanDerWaalsContact O-N 3.09Å; S299-L303 PolarHBondContact O-N 3.14Å
300L96.8Very high95.4Very high102 Ų10276.6 Ų76.653%0.53440%0.4SS..Hα-helixtrans-59.6-40.1173.7-74.3174.5000112.3L296 L297 N302 L303L296-L300 HydrophobicContact CD2-CD1 3.59Å; L296-L300 HydrophobicContact CD2-CG 4.42Å; L296-L300 HydrophobicContact CG-CD1 4.24Å; L296-L300 WeakPolarHBondContact O-CB 3.15Å; L296-L300 WeakPolarHBondContact O-CG 3.4Å; L296-L300 PolarHBondContact O-N 3.11Å; L297-L300 PolarHBondContact O-N 3.32Å; L300-N302 VanDerWaalsContact C-N 3.26Å; L300-N302 PolarHBondContact O-N 2.9Å; L300-L303 HydrophobicContact CD2-CD1 4.4Å; L300-L303 PolarHBondContact O-N 3.27Å
301A95.9Very high95.3Very high57 Ų5773.2 Ų73.247%0.47138%0.382SS..Hα-helixtrans-73.9-17.1177.800000113.6T258 L297 S299T258-A301 HydrophobicContact CG2-CB 3.52Å; L297-A301 WeakPolarHBondContact O-CB 3.47Å; L297-A301 PolarHBondContact O-N 3.24Å; S299-A301 VanDerWaalsContact C-N 3.3Å; S299-A301 PolarHBondContact O-N 3.16Å
302N92.6Very high95.3Very high31 Ų3176.4 Ų76.417%0.16640%0.4CS..Hα-helixtrans-91.2-13.1176.7-165.676000113H229 L262 A298 S299 L300H229-N302 PolarHBondContact CE1-O 3.12Å; H229-N302 PolarHBondContact NE2-ND2 3.37Å; H229-N302 PolarHBondContact NE2-O 3.46Å; H229-N302 PolarHBondContact NE2-OD1 2.85Å; L262-N302 HydrophobicContact CD1-CB 4.08Å; A298-N302 WeakPolarHBondContact O-CB 2.95Å; A298-N302 PolarHBondContact O-N 3.05Å; A298-N302 VanDerWaalsContact O-N 3.15Å; S299-N302 PolarHBondContact O-N 2.94Å; S299-N302 VanDerWaalsContact O-N 3.09Å; L300-N302 VanDerWaalsContact C-N 3.26Å; L300-N302 PolarHBondContact O-N 2.9Å
303L86.9Confident95.4Very high193 Ų19381.1 Ų81.1100%1.0142%0.417SS*.  trans-72.10168.1-70.2170.7000109.9S299 L300S299-L303 PolarHBondContact O-N 3.14Å; L300-L303 HydrophobicContact CD2-CD1 4.4Å; L300-L303 PolarHBondContact O-N 3.27Å

Retrieved 303 of 303 residues in 380.8 ms (Link to these results)

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