G4LWL3_SCHMA Loading...

Golgi to er traffic protein 4

AlphaFold DB , UniProt , Accession G4LWL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 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
1M49Very low73.2Confident149 Ų14984.7 Ų84.773%0.73445%0.449SS*.  0124.90-101.1176.991.200109.1E5 L6M1-E5 WeakPolarHBondContact CA-OE2 3.42Å; M1-E5 HydrophobicContact CE-CB 3.95Å; M1-E5 HydrophobicContact CG-CB 4.23Å; M1-E5 WeakPolarHBondContact CG-OE2 3.4Å; M1-L6 HydrophobicContact CB-CG 4.23Å; M1-L6 HydrophobicContact CE-CB 4.25Å; M1-L6 HydrophobicContact CE-CD2 3.57Å; M1-L6 HydrophobicContact CE-CG 3.72Å; M1-L6 HydrophobicContact SD-CD2 4.04Å; M1-L6 HydrophobicContact SD-CG 4.42Å
2S68.7Low74.8Confident53 Ų5380.5 Ų80.537%0.37143%0.427SS..  trans-69.2157172.269.70000111.2A4 E5 L6S2-A4 PolarHBondContact O-N 3.49Å; S2-A4 VanDerWaalsContact O-N 3.13Å; S2-E5 WeakPolarHBondContact CB-OE1 3.45Å; S2-E5 PolarHBondContact N-OE2 3.12Å; S2-E5 PolarHBondContact O-N 2.91Å; S2-E5 VanDerWaalsContact O-N 3.09Å; S2-E5 WeakPolarHBondContact OG-CG 3.5Å; S2-E5 PolarHBondContact OG-N 3.28Å; S2-E5 PolarHBondContact OG-OE1 2.85Å; S2-L6 PolarHBondContact O-N 3.19Å; S2-L6 VanDerWaalsContact O-N 3.12Å
3T72.4Confident76.3Confident103 Ų10383.3 Ų83.363%0.63244%0.436SS*.Hα-helixtrans-57-28.2174.7-44.30000112.2K7T3-K7 WeakPolarHBondContact O-CG 3.41Å; T3-K7 PolarHBondContact O-N 3.32Å
4A66.8Low77.8Confident45 Ų4587.2 Ų87.237%0.37244%0.442SS..Hα-helixtrans-70.7-42.917600000112.4S2 K7 L8S2-A4 PolarHBondContact O-N 3.49Å; S2-A4 VanDerWaalsContact O-N 3.13Å; A4-K7 PolarHBondContact O-N 3.13Å; A4-L8 PolarHBondContact O-N 2.81Å; A4-L8 VanDerWaalsContact O-N 3.09Å
5E66.9Low79.1Confident98 Ų9882 Ų8246%0.45842%0.416SS..Hα-helixtrans-63.4-41.5174.9-74.2148.8-133.800111.7M1 S2 K7 L8 S9M1-E5 WeakPolarHBondContact CA-OE2 3.42Å; M1-E5 HydrophobicContact CE-CB 3.95Å; M1-E5 HydrophobicContact CG-CB 4.23Å; M1-E5 WeakPolarHBondContact CG-OE2 3.4Å; S2-E5 WeakPolarHBondContact CB-OE1 3.45Å; S2-E5 PolarHBondContact N-OE2 3.12Å; S2-E5 PolarHBondContact O-N 2.91Å; S2-E5 VanDerWaalsContact O-N 3.09Å; S2-E5 WeakPolarHBondContact OG-CG 3.5Å; S2-E5 PolarHBondContact OG-N 3.28Å; S2-E5 PolarHBondContact OG-OE1 2.85Å; E5-K7 VanDerWaalsContact C-N 3.35Å; E5-K7 PolarHBondContact O-N 3.17Å; E5-L8 PolarHBondContact O-N 2.82Å; E5-S9 WeakPolarHBondContact O-CB 3.35Å; E5-S9 PolarHBondContact O-N 3.36Å
6L70.3Confident80.2Confident85 Ų8586.6 Ų86.645%0.44543%0.432SS..Hα-helixtrans-61.7-41.5177.1-77.7163.2000112.1M1 S2 L8 K10M1-L6 HydrophobicContact CB-CG 4.23Å; M1-L6 HydrophobicContact CE-CB 4.25Å; M1-L6 HydrophobicContact CE-CD2 3.57Å; M1-L6 HydrophobicContact CE-CG 3.72Å; M1-L6 HydrophobicContact SD-CD2 4.04Å; M1-L6 HydrophobicContact SD-CG 4.42Å; S2-L6 PolarHBondContact O-N 3.19Å; S2-L6 VanDerWaalsContact O-N 3.12Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-K10 PolarHBondContact O-N 2.94Å; L6-K10 VanDerWaalsContact O-N 3.14Å
7K72.7Confident81.2Confident138 Ų13885.1 Ų85.160%0.643%0.428SS*.Hα-helixtrans-68.1-33.4177-76.4-178.3179.5-176.70112.7T3 A4 E5 L11T3-K7 WeakPolarHBondContact O-CG 3.41Å; T3-K7 PolarHBondContact O-N 3.32Å; A4-K7 PolarHBondContact O-N 3.13Å; E5-K7 VanDerWaalsContact C-N 3.35Å; E5-K7 PolarHBondContact O-N 3.17Å; K7-L11 PolarHBondContact O-N 3.06Å
8L73.6Confident82.2Confident58 Ų5880.3 Ų80.330%0.30440%0.404SS..Hα-helixtrans-69.7-47.2175.7-170.462.8000110.2A4 E5 L6 K10 L11 D12A4-L8 PolarHBondContact O-N 2.81Å; A4-L8 VanDerWaalsContact O-N 3.09Å; E5-L8 PolarHBondContact O-N 2.82Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 2.59Å; L8-L11 WeakPolarHBondContact O-CA 3.43Å; L8-L11 WeakPolarHBondContact O-CB 3.41Å; L8-L11 PolarHBondContact O-N 2.91Å; L8-D12 PolarHBondContact O-N 3.2Å
9S83.2Confident83Confident50 Ų5078.2 Ų78.235%0.3540%0.396SS..Hα-helixtrans-55.9-43.5177.4-179.30000113.2E5 L11 D12 Q13E5-S9 WeakPolarHBondContact O-CB 3.35Å; E5-S9 PolarHBondContact O-N 3.36Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 2.89Å; S9-D12 PolarHBondContact O-N 3.34Å; S9-Q13 WeakPolarHBondContact O-CG 3.5Å; S9-Q13 PolarHBondContact O-N 3.36Å
10K90.1Very high83.7Confident143 Ų14378.8 Ų78.862%0.62241%0.407SS*.Hα-helixtrans-65.1-35.7174.8-73.1-174.6178.8-173.40113L6 L8 R14L6-K10 PolarHBondContact O-N 2.94Å; L6-K10 VanDerWaalsContact O-N 3.14Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 2.59Å; K10-R14 WeakPolarHBondContact O-CG 3.29Å; K10-R14 PolarHBondContact O-N 3.46Å; K10-R14 VanDerWaalsContact O-N 3.14Å
11L91.9Very high84.4Confident10 Ų1080 Ų805%0.05241%0.411CS..Hα-helixtrans-68.5-43.7178.4-17663000110.8K7 L8 S9 Q13 R14 L15 L30 T33 I34K7-L11 PolarHBondContact O-N 3.06Å; L8-L11 WeakPolarHBondContact O-CA 3.43Å; L8-L11 WeakPolarHBondContact O-CB 3.41Å; L8-L11 PolarHBondContact O-N 2.91Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 2.89Å; L11-Q13 VanDerWaalsContact C-N 3.32Å; L11-Q13 PolarHBondContact O-N 3.31Å; L11-R14 PolarHBondContact O-N 3.14Å; L11-L15 PolarHBondContact O-N 3.23Å; L11-L30 HydrophobicContact CD1-CD2 3.49Å; L11-L30 VanDerWaalsContact CD1-CD2 3.49Å; L11-T33 HydrophobicContact CD2-CG2 4.34Å; L11-I34 HydrophobicContact CD2-CD1 4.32Å; L11-I34 HydrophobicContact CD2-CG1 3.41Å; L11-I34 VanDerWaalsContact CD2-CG1 3.41Å; L11-I34 HydrophobicContact CG-CD1 4.31Å; L11-I34 HydrophobicContact CG-CG1 3.92Å
12D91.9Very high86.7Confident34 Ų3480.7 Ų80.718%0.18241%0.406CS..Hα-helixtrans-63.5-38.8177.8-63-16.4000111.6L8 S9 L15 K16 Y50L8-D12 PolarHBondContact O-N 3.2Å; S9-D12 PolarHBondContact O-N 3.34Å; D12-L15 PolarHBondContact O-N 3.05Å; D12-K16 VanDerWaalsContact O-CG 3.31Å; D12-K16 WeakPolarHBondContact O-CG 3.42Å; D12-K16 PolarHBondContact O-N 3.07Å; D12-Y50 PolarHBondContact OD1-OH 2.75Å; D12-Y50 VanDerWaalsContact OD1-OH 3.13Å
13Q94.5Very high88.1Confident117 Ų11783.5 Ų83.555%0.54741%0.408SS..Hα-helixtrans-62.1-46.5173.9-75.4174.8-1000111.9S9 L11 L15 K16 V17S9-Q13 WeakPolarHBondContact O-CG 3.5Å; S9-Q13 PolarHBondContact O-N 3.36Å; L11-Q13 VanDerWaalsContact C-N 3.32Å; L11-Q13 PolarHBondContact O-N 3.31Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 2.93Å; Q13-K16 PolarHBondContact O-N 3.32Å; Q13-V17 WeakPolarHBondContact O-CG2 3.5Å; Q13-V17 PolarHBondContact O-N 2.87Å
14R97Very high89.4Confident138 Ų13880.7 Ų80.752%0.52139%0.387SS..Hα-helixtrans-61.9-41176.4-74.3-177.563-167.3-4.3112K10 L11 V17 A18 E26 L30K10-R14 WeakPolarHBondContact O-CG 3.29Å; K10-R14 PolarHBondContact O-N 3.46Å; K10-R14 VanDerWaalsContact O-N 3.14Å; L11-R14 PolarHBondContact O-N 3.14Å; R14-V17 PolarHBondContact O-N 3.45Å; R14-A18 WeakPolarHBondContact O-CB 3.38Å; R14-A18 PolarHBondContact O-N 3.06Å; R14-E26 IonicContact CZ-OE1 3.02Å; R14-E26 IonicContact NE-OE1 2.59Å; R14-E26 IonicContact NH2-OE1 2.8Å; R14-E26 PolarHBondContact NH2-OE1 2.76Å; R14-L30 HydrophobicContact CB-CD1 4.23Å
15L97.6Very high90.9Very high9 Ų986.8 Ų86.85%0.04740%0.402CS..Hα-helixtrans-61.3-48.2176.2177.764.8000111L11 D12 Q13 V17 A18 V19 L30 Y31 I34 Y50L11-L15 PolarHBondContact O-N 3.23Å; D12-L15 PolarHBondContact O-N 3.05Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 2.93Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 2.92Å; L15-A18 PolarHBondContact O-N 2.9Å; L15-V19 HydrophobicContact CD1-CG2 4.01Å; L15-V19 HydrophobicContact CG-CG2 4.33Å; L15-V19 WeakPolarHBondContact O-CB 3.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.35Å; L15-V19 PolarHBondContact O-N 3.08Å; L15-L30 HydrophobicContact CB-CD1 4.36Å; L15-L30 HydrophobicContact CD1-CB 3.91Å; L15-L30 HydrophobicContact CD1-CD1 4.43Å; L15-Y31 HydrophobicContact CD1-CD1 4.28Å; L15-Y31 HydrophobicContact CD1-CD2 3.95Å; L15-Y31 HydrophobicContact CD1-CE1 4.06Å; L15-Y31 HydrophobicContact CD1-CE2 3.66Å; L15-Y31 HydrophobicContact CD1-CG 4.23Å; L15-Y31 HydrophobicContact CD2-CD1 4.04Å; L15-Y31 HydrophobicContact CD2-CE1 3.61Å; L15-Y31 HydrophobicContact CG-CE1 4.37Å; L15-I34 HydrophobicContact CD2-CD1 3.58Å; L15-Y50 HydrophobicContact CD2-CD1 3.88Å; L15-Y50 HydrophobicContact CD2-CE1 3.82Å
16K96.5Very high92.4Very high155 Ų15584.7 Ų84.767%0.67439%0.392SS*.Hα-helixtrans-56.6-43.5177.4-75.2175.9-179.5-175.70112D12 Q13 S20D12-K16 VanDerWaalsContact O-CG 3.31Å; D12-K16 WeakPolarHBondContact O-CG 3.42Å; D12-K16 PolarHBondContact O-N 3.07Å; Q13-K16 PolarHBondContact O-N 3.32Å; K16-S20 VanDerWaalsContact O-CB 3.29Å; K16-S20 WeakPolarHBondContact O-CB 3.17Å; K16-S20 PolarHBondContact O-N 2.84Å; K16-S20 PolarHBondContact O-OG 3.03Å; K16-S20 VanDerWaalsContact O-OG 3.12Å
17V97.8Very high93.7Very high61 Ų6180.6 Ų80.637%0.3737%0.371SS..Hα-helixtrans-62.2-51.8175.8172.70000110.6Q13 R14 L15 V19 S20 E21Q13-V17 WeakPolarHBondContact O-CG2 3.5Å; Q13-V17 PolarHBondContact O-N 2.87Å; R14-V17 PolarHBondContact O-N 3.45Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 2.92Å; V17-V19 VanDerWaalsContact C-N 3.31Å; V17-V19 PolarHBondContact O-N 3.07Å; V17-S20 WeakPolarHBondContact CA-OG 3.45Å; V17-S20 PolarHBondContact O-N 3.41Å; V17-S20 PolarHBondContact O-OG 2.95Å; V17-E21 HydrophobicContact CG1-CG 4.4Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.39Å; V17-E21 WeakPolarHBondContact O-CB 3.45Å; V17-E21 WeakPolarHBondContact O-CG 3.31Å; V17-E21 PolarHBondContact O-N 3.31Å
18A98Very high94.9Very high0 Ų074.3 Ų74.30%034%0.344CS..Hα-helixtrans-58.3-41.1-179.500000112.6R14 L15 R22 R23 E26 A27 L30R14-A18 WeakPolarHBondContact O-CB 3.38Å; R14-A18 PolarHBondContact O-N 3.06Å; L15-A18 PolarHBondContact O-N 2.9Å; A18-R22 PolarHBondContact O-N 3.45Å; A18-R22 VanDerWaalsContact O-N 3.13Å; A18-R23 HydrophobicContact CB-CB 4.28Å; A18-R23 PolarHBondContact O-N 3.48Å; A18-E26 HydrophobicContact CB-CB 4.28Å; A18-E26 HydrophobicContact CB-CG 4.11Å; A18-A27 HydrophobicContact CB-CB 4.16Å; A18-L30 HydrophobicContact CB-CD1 4Å
19V98Very high96.1Very high39 Ų3974.8 Ų74.824%0.23634%0.344CS..Hα-helixtrans-66.6-49.4175.2170.70000111L15 V17 E21 R22 A27 Y31 F57L15-V19 HydrophobicContact CD1-CG2 4.01Å; L15-V19 HydrophobicContact CG-CG2 4.33Å; L15-V19 WeakPolarHBondContact O-CB 3.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.35Å; L15-V19 PolarHBondContact O-N 3.08Å; V17-V19 VanDerWaalsContact C-N 3.31Å; V17-V19 PolarHBondContact O-N 3.07Å; V19-E21 VanDerWaalsContact C-N 3.25Å; V19-E21 PolarHBondContact O-N 3.4Å; V19-R22 PolarHBondContact O-N 3.31Å; V19-A27 HydrophobicContact CG2-CB 4.2Å; V19-Y31 HydrophobicContact CG2-CE2 4.2Å; V19-F57 HydrophobicContact CB-CZ 4.36Å; V19-F57 HydrophobicContact CG1-CD2 3.94Å; V19-F57 HydrophobicContact CG1-CE1 4.49Å; V19-F57 HydrophobicContact CG1-CE2 3.79Å; V19-F57 HydrophobicContact CG1-CG 4.36Å; V19-F57 HydrophobicContact CG1-CZ 4.08Å; V19-F57 HydrophobicContact CG2-CD1 4.31Å; V19-F57 HydrophobicContact CG2-CE1 4.2Å; V19-F57 HydrophobicContact CG2-CZ 4.49Å
20S97.4Very high96.8Very high90 Ų9072.9 Ų72.963%0.62933%0.33SS*.Hα-helixtrans-62.4-32.8-178.367.60000113.3K16 V17K16-S20 VanDerWaalsContact O-CB 3.29Å; K16-S20 WeakPolarHBondContact O-CB 3.17Å; K16-S20 PolarHBondContact O-N 2.84Å; K16-S20 PolarHBondContact O-OG 3.03Å; K16-S20 VanDerWaalsContact O-OG 3.12Å; V17-S20 WeakPolarHBondContact CA-OG 3.45Å; V17-S20 PolarHBondContact O-N 3.41Å; V17-S20 PolarHBondContact O-OG 2.95Å
21E98Very high97.2Very high105 Ų10566.7 Ų66.749%0.49130%0.303SS..THydrogen-bonded Turntrans-95.17.6178.6-64.2-171.8-155.100113V17 V19 R23V17-E21 HydrophobicContact CG1-CG 4.4Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.39Å; V17-E21 WeakPolarHBondContact O-CB 3.45Å; V17-E21 WeakPolarHBondContact O-CG 3.31Å; V17-E21 PolarHBondContact O-N 3.31Å; V19-E21 VanDerWaalsContact C-N 3.25Å; V19-E21 PolarHBondContact O-N 3.4Å; E21-R23 HydrophobicContact CB-CG 4.03Å; E21-R23 PolarHBondContact O-N 3.39Å; E21-R23 VanDerWaalsContact O-N 3.17Å; E21-R23 IonicContact OE1-NH2 3.44Å; E21-R23 PolarHBondContact OE1-NH2 3.07Å; E21-R23 IonicContact OE2-CZ 2.91Å; E21-R23 IonicContact OE2-NE 3.49Å; E21-R23 PolarHBondContact OE2-NE 2.97Å; E21-R23 IonicContact OE2-NH2 3.26Å; E21-R23 PolarHBondContact OE2-NH2 3.44Å
22R97.8Very high97.6Very high163 Ų16369.1 Ų69.162%0.61531%0.313SS*.THydrogen-bonded Turntrans53.735.5179.3-61.6-175.6173.3-155-5.1114A18 V19 F24A18-R22 PolarHBondContact O-N 3.45Å; A18-R22 VanDerWaalsContact O-N 3.13Å; V19-R22 PolarHBondContact O-N 3.31Å; R22-F24 HydrophobicContact CB-CE1 3.95Å; R22-F24 HydrophobicContact CB-CE2 4.27Å; R22-F24 HydrophobicContact CB-CZ 3.73Å; R22-F24 HydrophobicContact CG-CE1 4.34Å; R22-F24 HydrophobicContact CG-CZ 4.23Å; R22-F24 WeakPolarHBondContact O-CD2 3.48Å; R22-F24 PolarHBondContact O-N 2.93Å
23R98.4Very high97.8Very high112 Ų11270 Ų7042%0.42332%0.32SS..  trans-79.772173.3-58.6180-171.7-179.9-0.9109.3A18 E21 Y25 E26 A27A18-R23 HydrophobicContact CB-CB 4.28Å; A18-R23 PolarHBondContact O-N 3.48Å; E21-R23 HydrophobicContact CB-CG 4.03Å; E21-R23 PolarHBondContact O-N 3.39Å; E21-R23 VanDerWaalsContact O-N 3.17Å; E21-R23 IonicContact OE1-NH2 3.44Å; E21-R23 PolarHBondContact OE1-NH2 3.07Å; E21-R23 IonicContact OE2-CZ 2.91Å; E21-R23 IonicContact OE2-NE 3.49Å; E21-R23 PolarHBondContact OE2-NE 2.97Å; E21-R23 IonicContact OE2-NH2 3.26Å; E21-R23 PolarHBondContact OE2-NH2 3.44Å; R23-Y25 PolarHBondContact O-N 3.14Å; R23-E26 HydrophobicContact CB-CB 4.11Å; R23-E26 WeakPolarHBondContact CD-OE2 3.41Å; R23-E26 IonicContact NH1-OE2 2.81Å; R23-E26 PolarHBondContact NH1-OE2 3.3Å; R23-E26 PolarHBondContact O-N 3.09Å; R23-A27 PolarHBondContact O-N 3.09Å
24F98.5Very high97.9Very high45 Ų4564.5 Ų64.520%0.19729%0.294CS..Hα-helixtrans-54.2-48.2-167.1-58.5-58.1000114.5R22 E26 A27 H28 F57 L58 N61 Q63R22-F24 HydrophobicContact CB-CE1 3.95Å; R22-F24 HydrophobicContact CB-CE2 4.27Å; R22-F24 HydrophobicContact CB-CZ 3.73Å; R22-F24 HydrophobicContact CG-CE1 4.34Å; R22-F24 HydrophobicContact CG-CZ 4.23Å; R22-F24 WeakPolarHBondContact O-CD2 3.48Å; R22-F24 PolarHBondContact O-N 2.93Å; F24-E26 PolarHBondContact O-N 3.44Å; F24-A27 PolarHBondContact O-N 3.23Å; F24-H28 VanDerWaalsContact O-CB 3.3Å; F24-H28 WeakPolarHBondContact O-CB 3.23Å; F24-H28 PolarHBondContact O-N 3.3Å; F24-F57 AromaticContact CD1-CE1 3.8Å; F24-F57 HydrophobicContact CD1-CE1 3.8Å; F24-F57 AromaticContact CD1-CZ 3.82Å; F24-F57 HydrophobicContact CD1-CZ 3.82Å; F24-F57 HydrophobicContact CE1-CE1 4.16Å; F24-F57 HydrophobicContact CE1-CE2 4.37Å; F24-F57 AromaticContact CE1-CZ 3.73Å; F24-F57 HydrophobicContact CE1-CZ 3.73Å; F24-L58 HydrophobicContact CB-CD2 4.03Å; F24-L58 HydrophobicContact CD1-CD2 4.14Å; F24-N61 HydrophobicContact CD1-CB 4.31Å; F24-N61 HydrophobicContact CE1-CB 3.41Å; F24-N61 VanDerWaalsContact CE1-CB 3.41Å; F24-N61 HydrophobicContact CZ-CB 3.62Å; F24-Q63 HydrophobicContact CB-CG 3.86Å; F24-Q63 HydrophobicContact CD1-CG 3.89Å; F24-Q63 HydrophobicContact CD2-CG 3.94Å; F24-Q63 HydrophobicContact CE1-CG 4.42Å; F24-Q63 HydrophobicContact CE2-CG 4.46Å; F24-Q63 HydrophobicContact CG-CG 3.63Å
25Y98.1Very high97.9Very high172 Ų17258.7 Ų58.768%0.67527%0.273SS*.Hα-helixtrans-60.7-44.6177.7179.4-96.3000111.9R23 H28 Q29R23-Y25 PolarHBondContact O-N 3.14Å; Y25-H28 PolarHBondContact O-N 2.92Å; Y25-Q29 HydrophobicContact CD1-CG 4.37Å; Y25-Q29 HydrophobicContact CE1-CG 3.93Å; Y25-Q29 HydrophobicContact CE2-CG 4.28Å; Y25-Q29 WeakPolarHBondContact O-CG 3.26Å; Y25-Q29 PolarHBondContact O-N 3.24Å
26E98.2Very high97.9Very high54 Ų5464.3 Ų64.325%0.25230%0.298SS..Hα-helixtrans-64-46.8177.4-174.6175.1-16700110.7R14 A18 R23 F24 H28 Q29 L30R14-E26 IonicContact CZ-OE1 3.02Å; R14-E26 IonicContact NE-OE1 2.59Å; R14-E26 IonicContact NH2-OE1 2.8Å; R14-E26 PolarHBondContact NH2-OE1 2.76Å; A18-E26 HydrophobicContact CB-CB 4.28Å; A18-E26 HydrophobicContact CB-CG 4.11Å; R23-E26 HydrophobicContact CB-CB 4.11Å; R23-E26 WeakPolarHBondContact CD-OE2 3.41Å; R23-E26 IonicContact NH1-OE2 2.81Å; R23-E26 PolarHBondContact NH1-OE2 3.3Å; R23-E26 PolarHBondContact O-N 3.09Å; F24-E26 PolarHBondContact O-N 3.44Å; E26-H28 VanDerWaalsContact C-N 3.33Å; E26-H28 PolarHBondContact O-N 3.4Å; E26-Q29 PolarHBondContact O-N 3.22Å; E26-L30 HydrophobicContact CG-CD1 3.83Å; E26-L30 HydrophobicContact CG-CG 4.26Å; E26-L30 WeakPolarHBondContact O-CB 3.19Å; E26-L30 WeakPolarHBondContact O-CG 3.06Å; E26-L30 PolarHBondContact O-N 3.12Å
27A98.6Very high97.9Very high0 Ų061.3 Ų61.30%028%0.282CS..Hα-helixtrans-56.6-47.4176.600000111.2A18 V19 R23 F24 Q29 L30 Y31 F57A18-A27 HydrophobicContact CB-CB 4.16Å; V19-A27 HydrophobicContact CG2-CB 4.2Å; R23-A27 PolarHBondContact O-N 3.09Å; F24-A27 PolarHBondContact O-N 3.23Å; A27-Q29 PolarHBondContact O-N 3.41Å; A27-L30 PolarHBondContact O-N 2.84Å; A27-Y31 HydrophobicContact CB-CE2 4.34Å; A27-Y31 WeakPolarHBondContact O-CD2 3.41Å; A27-Y31 PolarHBondContact O-N 3.04Å; A27-F57 HydrophobicContact CB-CE1 4.02Å
28H98.6Very high97.8Very high6 Ų658.9 Ų58.93%0.02827%0.268CS..Hα-helixtrans-56.4-50.8177.6179.1-157.3000112.2F24 Y25 E26 L30 Y31 K32 L58 S66 E69F24-H28 VanDerWaalsContact O-CB 3.3Å; F24-H28 WeakPolarHBondContact O-CB 3.23Å; F24-H28 PolarHBondContact O-N 3.3Å; Y25-H28 PolarHBondContact O-N 2.92Å; E26-H28 VanDerWaalsContact C-N 3.33Å; E26-H28 PolarHBondContact O-N 3.4Å; H28-L30 VanDerWaalsContact C-N 3.3Å; H28-L30 PolarHBondContact O-N 3.29Å; H28-Y31 PolarHBondContact O-N 3.46Å; H28-K32 WeakPolarHBondContact NE2-CD 3.43Å; H28-K32 PolarHBondContact O-N 3.22Å; H28-L58 HydrophobicContact CB-CD1 3.94Å; H28-S66 PolarHBondContact CE1-OG 2.93Å; H28-S66 VanDerWaalsContact ND1-CB 3.27Å; H28-S66 WeakPolarHBondContact ND1-CB 3.43Å; H28-S66 PolarHBondContact ND1-OG 3.38Å; H28-E69 IonicContact CE1-OE2 3.36Å; H28-E69 PolarHBondContact CE1-OE2 3.26Å; H28-E69 IonicContact NE2-OE2 3.45Å; H28-E69 PolarHBondContact NE2-OE2 3.03Å; H28-E69 VanDerWaalsContact NE2-OE2 3.13Å
29Q98.5Very high97.7Very high67 Ų6760.5 Ų60.531%0.31328%0.276SS..Hα-helixtrans-64.9-33.9178.4-63.2-50.6-43.100112.7Y25 E26 A27 T33Y25-Q29 HydrophobicContact CD1-CG 4.37Å; Y25-Q29 HydrophobicContact CE1-CG 3.93Å; Y25-Q29 HydrophobicContact CE2-CG 4.28Å; Y25-Q29 WeakPolarHBondContact O-CG 3.26Å; Y25-Q29 PolarHBondContact O-N 3.24Å; E26-Q29 PolarHBondContact O-N 3.22Å; A27-Q29 PolarHBondContact O-N 3.41Å; Q29-T33 WeakPolarHBondContact O-CB 3.24Å; Q29-T33 PolarHBondContact O-N 2.87Å; Q29-T33 PolarHBondContact O-OG1 2.99Å
30L98.3Very high97.6Very high11 Ų1165 Ų656%0.05830%0.296CS..Hα-helixtrans-67.1-44.5175.2-68.8172.2000111.3L11 R14 L15 A18 E26 A27 H28 K32 T33 I34L11-L30 HydrophobicContact CD1-CD2 3.49Å; L11-L30 VanDerWaalsContact CD1-CD2 3.49Å; R14-L30 HydrophobicContact CB-CD1 4.23Å; L15-L30 HydrophobicContact CB-CD1 4.36Å; L15-L30 HydrophobicContact CD1-CB 3.91Å; L15-L30 HydrophobicContact CD1-CD1 4.43Å; A18-L30 HydrophobicContact CB-CD1 4Å; E26-L30 HydrophobicContact CG-CD1 3.83Å; E26-L30 HydrophobicContact CG-CG 4.26Å; E26-L30 WeakPolarHBondContact O-CB 3.19Å; E26-L30 WeakPolarHBondContact O-CG 3.06Å; E26-L30 PolarHBondContact O-N 3.12Å; A27-L30 PolarHBondContact O-N 2.84Å; H28-L30 VanDerWaalsContact C-N 3.3Å; H28-L30 PolarHBondContact O-N 3.29Å; L30-K32 PolarHBondContact O-N 2.86Å; L30-T33 WeakPolarHBondContact O-CB 3.36Å; L30-T33 PolarHBondContact O-N 2.89Å; L30-I34 WeakPolarHBondContact O-CG1 3.07Å; L30-I34 PolarHBondContact O-N 3.19Å
31Y98.5Very high97.5Very high13 Ų1368 Ų685%0.05129%0.293CS..Hα-helixtrans-59-45.9174.1-76.9-65.2000112L15 V19 A27 H28 T33 I34 N35 Y50 L70L15-Y31 HydrophobicContact CD1-CD1 4.28Å; L15-Y31 HydrophobicContact CD1-CD2 3.95Å; L15-Y31 HydrophobicContact CD1-CE1 4.06Å; L15-Y31 HydrophobicContact CD1-CE2 3.66Å; L15-Y31 HydrophobicContact CD1-CG 4.23Å; L15-Y31 HydrophobicContact CD2-CD1 4.04Å; L15-Y31 HydrophobicContact CD2-CE1 3.61Å; L15-Y31 HydrophobicContact CG-CE1 4.37Å; V19-Y31 HydrophobicContact CG2-CE2 4.2Å; A27-Y31 HydrophobicContact CB-CE2 4.34Å; A27-Y31 WeakPolarHBondContact O-CD2 3.41Å; A27-Y31 PolarHBondContact O-N 3.04Å; H28-Y31 PolarHBondContact O-N 3.46Å; Y31-T33 VanDerWaalsContact C-N 3.31Å; Y31-T33 PolarHBondContact O-N 2.9Å; Y31-I34 PolarHBondContact O-N 3.28Å; Y31-N35 WeakPolarHBondContact O-CB 3.46Å; Y31-N35 PolarHBondContact O-N 3.05Å; Y31-Y50 HydrophobicContact CD1-CD1 4.3Å; Y31-Y50 WeakPolarHBondContact CD1-O 3.24Å; Y31-Y50 HydrophobicContact CE1-CD1 4.08Å; Y31-Y50 WeakPolarHBondContact CE1-O 3.39Å; Y31-L70 HydrophobicContact CD2-CD1 3.99Å; Y31-L70 HydrophobicContact CG-CD1 4.02Å
32K98.4Very high97.4Very high60 Ų6070.4 Ų70.426%0.26130%0.302SS..Hα-helixtrans-59.2-41.5174.8-71.4177.469.5163.90112.2H28 L30 N35 F36 E69 L70 L73H28-K32 WeakPolarHBondContact NE2-CD 3.43Å; H28-K32 PolarHBondContact O-N 3.22Å; L30-K32 PolarHBondContact O-N 2.86Å; K32-N35 PolarHBondContact O-N 3.47Å; K32-F36 PolarHBondContact O-N 3.2Å; K32-E69 WeakPolarHBondContact CE-OE1 3.27Å; K32-E69 IonicContact NZ-OE1 3.93Å; K32-E69 PolarHBondContact NZ-OE1 3.48Å; K32-E69 IonicContact NZ-OE2 3.72Å; K32-E69 PolarHBondContact NZ-OE2 3.11Å; K32-L70 HydrophobicContact CG-CD2 3.78Å; K32-L73 HydrophobicContact CG-CD1 4.22Å
33T97.7Very high97.3Very high54 Ų5466 Ų6633%0.33129%0.291SS..Hα-helixtrans-65.1-41.6177.4-60.80000112L11 Q29 L30 Y31 R37L11-T33 HydrophobicContact CD2-CG2 4.34Å; Q29-T33 WeakPolarHBondContact O-CB 3.24Å; Q29-T33 PolarHBondContact O-N 2.87Å; Q29-T33 PolarHBondContact O-OG1 2.99Å; L30-T33 WeakPolarHBondContact O-CB 3.36Å; L30-T33 PolarHBondContact O-N 2.89Å; Y31-T33 VanDerWaalsContact C-N 3.31Å; Y31-T33 PolarHBondContact O-N 2.9Å; T33-R37 WeakPolarHBondContact O-CG 3.44Å; T33-R37 PolarHBondContact O-N 3.38Å
34I96.4Very high97.3Very high1 Ų163.5 Ų63.51%0.00528%0.282CS..Hα-helixtrans-63.4-49.4176-67.4166.9000109.8L11 L15 L30 Y31 F36 R37 C38 Y50L11-I34 HydrophobicContact CD2-CD1 4.32Å; L11-I34 HydrophobicContact CD2-CG1 3.41Å; L11-I34 VanDerWaalsContact CD2-CG1 3.41Å; L11-I34 HydrophobicContact CG-CD1 4.31Å; L11-I34 HydrophobicContact CG-CG1 3.92Å; L15-I34 HydrophobicContact CD2-CD1 3.58Å; L30-I34 WeakPolarHBondContact O-CG1 3.07Å; L30-I34 PolarHBondContact O-N 3.19Å; Y31-I34 PolarHBondContact O-N 3.28Å; I34-F36 PolarHBondContact O-N 2.98Å; I34-R37 PolarHBondContact O-N 2.82Å; I34-R37 VanDerWaalsContact O-N 3.11Å; I34-C38 PolarHBondContact O-N 3.24Å; I34-C38 PolarHBondContact O-SG 2.96Å; I34-C38 VanDerWaalsContact O-SG 3.42Å; I34-Y50 HydrophobicContact CD1-CD1 3.96Å; I34-Y50 HydrophobicContact CD1-CE1 4.05Å; I34-Y50 HydrophobicContact CD1-CG 4.37Å; I34-Y50 HydrophobicContact CG2-CD1 4.32Å; I34-Y50 HydrophobicContact CG2-CD2 3.41Å; I34-Y50 VanDerWaalsContact CG2-CD2 3.41Å; I34-Y50 HydrophobicContact CG2-CE2 3.85Å; I34-Y50 HydrophobicContact CG2-CG 3.68Å
35N97.5Very high97.2Very high15 Ų1569.3 Ų69.38%0.0831%0.31CS..Hα-helixtrans-53-53.1176.8176.743.8000111.4Y31 K32 R37 C38 M39 L51Y31-N35 WeakPolarHBondContact O-CB 3.46Å; Y31-N35 PolarHBondContact O-N 3.05Å; K32-N35 PolarHBondContact O-N 3.47Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 3.06Å; N35-C38 PolarHBondContact O-N 3.5Å; N35-M39 WeakPolarHBondContact O-CB 3.47Å; N35-M39 VanDerWaalsContact O-CG 3.28Å; N35-M39 WeakPolarHBondContact O-CG 3.43Å; N35-M39 PolarHBondContact O-N 3.4Å; N35-M39 WeakPolarHBondContact OD1-CG 3.49Å; N35-L51 HydrophobicContact CB-CD1 4.33Å; N35-L51 HydrophobicContact CB-CD2 3.8Å; N35-L51 HydrophobicContact CB-CG 4.09Å
36F97.2Very high97.1Very high128 Ų12863.8 Ų63.856%0.56129%0.29SS*.Hα-helixtrans-53.4-42.8178.3177.9-96.8000112.7K32 I34 M39 M40K32-F36 PolarHBondContact O-N 3.2Å; I34-F36 PolarHBondContact O-N 2.98Å; F36-M39 PolarHBondContact O-N 3.35Å; F36-M40 HydrophobicContact CD1-CG 4.39Å; F36-M40 HydrophobicContact CD2-CE 4.37Å; F36-M40 HydrophobicContact CE1-CE 4.44Å; F36-M40 HydrophobicContact CE1-CG 4.02Å; F36-M40 HydrophobicContact CE2-CE 3.52Å; F36-M40 HydrophobicContact CE2-CG 4.45Å; F36-M40 HydrophobicContact CZ-CE 3.56Å; F36-M40 HydrophobicContact CZ-CG 4.07Å; F36-M40 HydrophobicContact CZ-SD 4.45Å; F36-M40 VanDerWaalsContact O-CG 3.29Å; F36-M40 WeakPolarHBondContact O-CG 3.26Å; F36-M40 PolarHBondContact O-N 3.38Å
37R95.1Very high97.1Very high91 Ų9161.2 Ų61.234%0.34328%0.278SS..Hα-helixtrans-67.7-40.1177.3-69.2176.1-174-171.77.1112.7T33 I34 N35 R41T33-R37 WeakPolarHBondContact O-CG 3.44Å; T33-R37 PolarHBondContact O-N 3.38Å; I34-R37 PolarHBondContact O-N 2.82Å; I34-R37 VanDerWaalsContact O-N 3.11Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 3.06Å; R37-R41 WeakPolarHBondContact O-CG 2.99Å; R37-R41 PolarHBondContact O-N 2.8Å
38C96.4Very high97.1Very high11 Ų1162 Ų627%0.07428%0.282CS..Hα-helixtrans-64.8-44176.1-70.10000110.9I34 N35 R41 K42 N43 A47I34-C38 PolarHBondContact O-N 3.24Å; I34-C38 PolarHBondContact O-SG 2.96Å; I34-C38 VanDerWaalsContact O-SG 3.42Å; N35-C38 PolarHBondContact O-N 3.5Å; C38-R41 CarbonylContact O-C 3.38Å; C38-R41 WeakPolarHBondContact O-CA 3.45Å; C38-R41 PolarHBondContact O-N 3.01Å; C38-K42 PolarHBondContact O-N 3.48Å; C38-N43 PolarHBondContact O-N 2.78Å; C38-A47 HydrophobicContact CB-CB 3.71Å
39M97Very high97Very high33 Ų3366.6 Ų66.616%0.16330%0.302CS..Hα-helixtrans-62.9-42.6177.7-67.3-56.5-75.100112.6N35 F36 R41 K42 Y44 A47 V77 Q80N35-M39 WeakPolarHBondContact O-CB 3.47Å; N35-M39 VanDerWaalsContact O-CG 3.28Å; N35-M39 WeakPolarHBondContact O-CG 3.43Å; N35-M39 PolarHBondContact O-N 3.4Å; N35-M39 WeakPolarHBondContact OD1-CG 3.49Å; F36-M39 PolarHBondContact O-N 3.35Å; M39-R41 PolarHBondContact O-N 3.34Å; M39-R41 VanDerWaalsContact O-N 3.11Å; M39-K42 PolarHBondContact O-N 2.97Å; M39-Y44 HydrophobicContact CE-CD1 4.06Å; M39-Y44 HydrophobicContact CE-CE1 3.75Å; M39-Y44 HydrophobicContact SD-CD1 3.67Å; M39-Y44 HydrophobicContact SD-CE1 3.88Å; M39-A47 HydrophobicContact SD-CB 4.27Å; M39-V77 HydrophobicContact CE-CG2 4.31Å; M39-V77 HydrophobicContact SD-CG1 4.26Å; M39-V77 HydrophobicContact SD-CG2 3.74Å; M39-Q80 HydrophobicContact CE-CB 4.07Å; M39-Q80 HydrophobicContact CE-CG 4.48Å
40M95.5Very high97Very high135 Ų13564.9 Ų64.967%0.66529%0.293SS*.Hα-helixtrans-59.2-24.3173.4-75.8-67.6153.300113.4F36F36-M40 HydrophobicContact CD1-CG 4.39Å; F36-M40 HydrophobicContact CD2-CE 4.37Å; F36-M40 HydrophobicContact CE1-CE 4.44Å; F36-M40 HydrophobicContact CE1-CG 4.02Å; F36-M40 HydrophobicContact CE2-CE 3.52Å; F36-M40 HydrophobicContact CE2-CG 4.45Å; F36-M40 HydrophobicContact CZ-CE 3.56Å; F36-M40 HydrophobicContact CZ-CG 4.07Å; F36-M40 HydrophobicContact CZ-SD 4.45Å; F36-M40 VanDerWaalsContact O-CG 3.29Å; F36-M40 WeakPolarHBondContact O-CG 3.26Å; F36-M40 PolarHBondContact O-N 3.38Å
41R95.5Very high97Very high151 Ų15164.3 Ų64.357%0.5729%0.29SS*.THydrogen-bonded Turntrans-1002.9176.8-63.5173.7-177175.1-0.1113R37 C38 M39 N43R37-R41 WeakPolarHBondContact O-CG 2.99Å; R37-R41 PolarHBondContact O-N 2.8Å; C38-R41 CarbonylContact O-C 3.38Å; C38-R41 WeakPolarHBondContact O-CA 3.45Å; C38-R41 PolarHBondContact O-N 3.01Å; M39-R41 PolarHBondContact O-N 3.34Å; M39-R41 VanDerWaalsContact O-N 3.11Å; R41-N43 PolarHBondContact O-N 3.13Å; R41-N43 VanDerWaalsContact O-N 3.13Å
42K95.8Very high97Very high156 Ų15665.2 Ų65.268%0.67829%0.294SS*.THydrogen-bonded Turntrans51.728.5-171.2-57.7-175.9175.2-173.60113.4C38 M39 Y44C38-K42 PolarHBondContact O-N 3.48Å; M39-K42 PolarHBondContact O-N 2.97Å; K42-Y44 VanDerWaalsContact C-N 3.32Å; K42-Y44 HydrophobicContact CB-CE2 4.15Å; K42-Y44 PolarHBondContact O-N 3.27Å; K42-Y44 VanDerWaalsContact O-N 3.15Å
43N96.2Very high97Very high70 Ų7066.2 Ų66.237%0.37430%0.302SS..  trans-87.776174.9-172.1-10.3000109.5C38 R41 E46 A47C38-N43 PolarHBondContact O-N 2.78Å; R41-N43 PolarHBondContact O-N 3.13Å; R41-N43 VanDerWaalsContact O-N 3.13Å; N43-E46 WeakPolarHBondContact OD1-CB 3.36Å; N43-E46 PolarHBondContact OD1-N 3.13Å; N43-A47 PolarHBondContact O-N 3.31Å; N43-A47 VanDerWaalsContact O-N 3.17Å
44Y97.8Very high97.1Very high61 Ų6163.7 Ų63.724%0.23929%0.286CS..Hα-helixtrans-67.1-34.8-175.5-54.1-58.4000112.9M39 K42 E46 A47 L48 V77 S81M39-Y44 HydrophobicContact CE-CD1 4.06Å; M39-Y44 HydrophobicContact CE-CE1 3.75Å; M39-Y44 HydrophobicContact SD-CD1 3.67Å; M39-Y44 HydrophobicContact SD-CE1 3.88Å; K42-Y44 VanDerWaalsContact C-N 3.32Å; K42-Y44 HydrophobicContact CB-CE2 4.15Å; K42-Y44 PolarHBondContact O-N 3.27Å; K42-Y44 VanDerWaalsContact O-N 3.15Å; Y44-E46 PolarHBondContact O-N 3.27Å; Y44-A47 WeakPolarHBondContact O-CB 3.27Å; Y44-A47 PolarHBondContact O-N 3.04Å; Y44-L48 WeakPolarHBondContact O-CB 3.5Å; Y44-L48 VanDerWaalsContact O-CG 3.29Å; Y44-L48 WeakPolarHBondContact O-CG 3.5Å; Y44-L48 PolarHBondContact O-N 3.45Å; Y44-V77 HydrophobicContact CD1-CG1 4Å; Y44-V77 HydrophobicContact CG-CG1 4.36Å; Y44-S81 VanDerWaalsContact CD2-CB 3.45Å
45Q96.6Very high97.2Very high167 Ų16763.6 Ų63.678%0.7829%0.286SS*.Hα-helixtrans-61.1-47.5178.9-70-177.8-25.600111.7L48 K49Q45-L48 PolarHBondContact O-N 3.09Å; Q45-K49 PolarHBondContact O-N 2.88Å; Q45-K49 VanDerWaalsContact O-N 3.08Å
46E95.9Very high97.2Very high55 Ų5565.9 Ų65.926%0.25730%0.296SS..Hα-helixtrans-70-35.5178.1-16366.8-157.500111.5N43 Y44 K49 Y50N43-E46 WeakPolarHBondContact OD1-CB 3.36Å; N43-E46 PolarHBondContact OD1-N 3.13Å; Y44-E46 PolarHBondContact O-N 3.27Å; E46-K49 PolarHBondContact O-N 3.13Å; E46-K49 IonicContact OE1-NZ 3.27Å; E46-K49 PolarHBondContact OE1-NZ 2.93Å; E46-K49 IonicContact OE2-NZ 2.96Å; E46-Y50 HydrophobicContact CG-CD2 3.9Å; E46-Y50 HydrophobicContact CG-CE2 3.79Å; E46-Y50 WeakPolarHBondContact O-CD2 3.19Å; E46-Y50 PolarHBondContact O-N 3.41Å; E46-Y50 VanDerWaalsContact O-N 3.14Å; E46-Y50 WeakPolarHBondContact OE1-CE2 3.13Å
47A97.9Very high97.3Very high0 Ų061.3 Ų61.30%028%0.276CS..Hα-helixtrans-58.6-51.7173.600000111.4C38 M39 N43 Y44 K49 Y50 L51 V77C38-A47 HydrophobicContact CB-CB 3.71Å; M39-A47 HydrophobicContact SD-CB 4.27Å; N43-A47 PolarHBondContact O-N 3.31Å; N43-A47 VanDerWaalsContact O-N 3.17Å; Y44-A47 WeakPolarHBondContact O-CB 3.27Å; Y44-A47 PolarHBondContact O-N 3.04Å; A47-K49 VanDerWaalsContact C-N 3.35Å; A47-K49 PolarHBondContact O-N 2.84Å; A47-Y50 PolarHBondContact O-N 3.05Å; A47-L51 WeakPolarHBondContact O-CB 3.32Å; A47-L51 VanDerWaalsContact O-CG 3.25Å; A47-L51 WeakPolarHBondContact O-CG 3.36Å; A47-L51 PolarHBondContact O-N 3.41Å; A47-V77 HydrophobicContact CB-CG1 4.31Å; A47-V77 HydrophobicContact CB-CG2 4.2Å
48L98.2Very high97.4Very high17 Ų1757 Ų579%0.08926%0.26CS..Hα-helixtrans-57.8-46.2178.4-72.6168.3000111.6Y44 Q45 Y50 L51 K52 V74 V77 Y78Y44-L48 WeakPolarHBondContact O-CB 3.5Å; Y44-L48 VanDerWaalsContact O-CG 3.29Å; Y44-L48 WeakPolarHBondContact O-CG 3.5Å; Y44-L48 PolarHBondContact O-N 3.45Å; Q45-L48 PolarHBondContact O-N 3.09Å; L48-Y50 PolarHBondContact O-N 2.98Å; L48-L51 PolarHBondContact O-N 3.43Å; L48-K52 WeakPolarHBondContact O-CB 3.38Å; L48-K52 WeakPolarHBondContact O-CG 3.48Å; L48-K52 PolarHBondContact O-N 2.9Å; L48-V74 HydrophobicContact CD2-CG1 3.8Å; L48-V77 HydrophobicContact CD1-CG1 4.28Å; L48-V77 HydrophobicContact CD2-CB 3.83Å; L48-V77 HydrophobicContact CD2-CG1 3.78Å; L48-V77 HydrophobicContact CG-CB 4.26Å; L48-V77 HydrophobicContact CG-CG1 3.66Å; L48-Y78 HydrophobicContact CD1-CD1 4.13Å; L48-Y78 HydrophobicContact CD1-CE1 3.56Å; L48-Y78 HydrophobicContact CD2-CD1 4.14Å; L48-Y78 HydrophobicContact CD2-CD2 4.37Å; L48-Y78 HydrophobicContact CD2-CE1 3.8Å; L48-Y78 HydrophobicContact CD2-CE2 4.09Å; L48-Y78 HydrophobicContact CD2-CG 4.37Å; L48-Y78 HydrophobicContact CG-CE1 4.35Å
49K97.3Very high97.5Very high102 Ų10256.6 Ų56.644%0.44326%0.257SS..Hα-helixtrans-55.4-51.7178174.3-173.2162.7-155.30112.1Q45 E46 A47 L53Q45-K49 PolarHBondContact O-N 2.88Å; Q45-K49 VanDerWaalsContact O-N 3.08Å; E46-K49 PolarHBondContact O-N 3.13Å; E46-K49 IonicContact OE1-NZ 3.27Å; E46-K49 PolarHBondContact OE1-NZ 2.93Å; E46-K49 IonicContact OE2-NZ 2.96Å; A47-K49 VanDerWaalsContact C-N 3.35Å; A47-K49 PolarHBondContact O-N 2.84Å; K49-L53 HydrophobicContact CG-CD1 4.18Å; K49-L53 WeakPolarHBondContact O-CB 3.35Å; K49-L53 WeakPolarHBondContact O-CD1 3.39Å; K49-L53 VanDerWaalsContact O-CG 3.26Å; K49-L53 WeakPolarHBondContact O-CG 3.16Å; K49-L53 PolarHBondContact O-N 3.26Å
50Y98.2Very high97.6Very high31 Ų3159.9 Ų59.912%0.12228%0.275CS..Hα-helixtrans-69.5-39.6-179.3-83.2-71.3000112.7D12 L15 Y31 I34 E46 A47 L48 G54D12-Y50 PolarHBondContact OD1-OH 2.75Å; D12-Y50 VanDerWaalsContact OD1-OH 3.13Å; L15-Y50 HydrophobicContact CD2-CD1 3.88Å; L15-Y50 HydrophobicContact CD2-CE1 3.82Å; Y31-Y50 HydrophobicContact CD1-CD1 4.3Å; Y31-Y50 WeakPolarHBondContact CD1-O 3.24Å; Y31-Y50 HydrophobicContact CE1-CD1 4.08Å; Y31-Y50 WeakPolarHBondContact CE1-O 3.39Å; I34-Y50 HydrophobicContact CD1-CD1 3.96Å; I34-Y50 HydrophobicContact CD1-CE1 4.05Å; I34-Y50 HydrophobicContact CD1-CG 4.37Å; I34-Y50 HydrophobicContact CG2-CD1 4.32Å; I34-Y50 HydrophobicContact CG2-CD2 3.41Å; I34-Y50 VanDerWaalsContact CG2-CD2 3.41Å; I34-Y50 HydrophobicContact CG2-CE2 3.85Å; I34-Y50 HydrophobicContact CG2-CG 3.68Å; E46-Y50 HydrophobicContact CG-CD2 3.9Å; E46-Y50 HydrophobicContact CG-CE2 3.79Å; E46-Y50 WeakPolarHBondContact O-CD2 3.19Å; E46-Y50 PolarHBondContact O-N 3.41Å; E46-Y50 VanDerWaalsContact O-N 3.14Å; E46-Y50 WeakPolarHBondContact OE1-CE2 3.13Å; A47-Y50 PolarHBondContact O-N 3.05Å; L48-Y50 PolarHBondContact O-N 2.98Å; Y50-G54 PolarHBondContact O-N 3.19Å
51L98.7Very high97.7Very high0 Ų055 Ų550%025%0.252CS..Hα-helixtrans-65.4-43.5179.4-73.2174.5000112.2N35 A47 L48 G54 S55 L70 L73 V74 V77N35-L51 HydrophobicContact CB-CD1 4.33Å; N35-L51 HydrophobicContact CB-CD2 3.8Å; N35-L51 HydrophobicContact CB-CG 4.09Å; A47-L51 WeakPolarHBondContact O-CB 3.32Å; A47-L51 VanDerWaalsContact O-CG 3.25Å; A47-L51 WeakPolarHBondContact O-CG 3.36Å; A47-L51 PolarHBondContact O-N 3.41Å; L48-L51 PolarHBondContact O-N 3.43Å; L51-G54 PolarHBondContact O-N 3.26Å; L51-S55 VanDerWaalsContact O-CB 3.24Å; L51-S55 WeakPolarHBondContact O-CB 3.24Å; L51-S55 PolarHBondContact O-N 2.7Å; L51-L70 HydrophobicContact CD2-CD2 3.92Å; L51-L73 HydrophobicContact CD1-CB 3.77Å; L51-L73 HydrophobicContact CD2-CB 3.82Å; L51-L73 HydrophobicContact CD2-CD1 3.97Å; L51-L73 HydrophobicContact CG-CB 4.43Å; L51-V74 HydrophobicContact CB-CG2 3.56Å; L51-V74 HydrophobicContact CD1-CG2 4.46Å; L51-V77 HydrophobicContact CD1-CG2 3.68Å
52K98.4Very high97.8Very high31 Ų3154.5 Ų54.514%0.13526%0.256CS..Hα-helixtrans-60.3-54.1175.8-71.6169.1-178.5174.40111L48 G54 S55 E56 V74 Y78 E92L48-K52 WeakPolarHBondContact O-CB 3.38Å; L48-K52 WeakPolarHBondContact O-CG 3.48Å; L48-K52 PolarHBondContact O-N 2.9Å; K52-G54 VanDerWaalsContact C-N 3.27Å; K52-G54 PolarHBondContact O-N 3.39Å; K52-S55 PolarHBondContact O-N 2.88Å; K52-S55 VanDerWaalsContact O-N 3.13Å; K52-E56 WeakPolarHBondContact O-CB 3.33Å; K52-E56 WeakPolarHBondContact O-CG 3.38Å; K52-E56 PolarHBondContact O-N 3.47Å; K52-V74 HydrophobicContact CG-CG1 4.3Å; K52-V74 HydrophobicContact CG-CG2 4.04Å; K52-Y78 VanDerWaalsContact CE-OH 3.25Å; K52-Y78 WeakPolarHBondContact CE-OH 3.21Å; K52-Y78 PolarHBondContact NZ-OH 2.96Å; K52-E92 VanDerWaalsContact CE-OE2 3.23Å; K52-E92 WeakPolarHBondContact CE-OE2 3.48Å; K52-E92 IonicContact NZ-OE1 2.68Å; K52-E92 PolarHBondContact NZ-OE1 2.94Å; K52-E92 IonicContact NZ-OE2 3.13Å; K52-E92 PolarHBondContact NZ-OE2 3.23Å
53L98.1Very high97.9Very high82 Ų8250.3 Ų50.343%0.42924%0.239SC..Hα-helixtrans-56.3-41.5177.7-73.3171.9000112.6K49 F57K49-L53 HydrophobicContact CG-CD1 4.18Å; K49-L53 WeakPolarHBondContact O-CB 3.35Å; K49-L53 WeakPolarHBondContact O-CD1 3.39Å; K49-L53 VanDerWaalsContact O-CG 3.26Å; K49-L53 WeakPolarHBondContact O-CG 3.16Å; K49-L53 PolarHBondContact O-N 3.26Å; L53-F57 VanDerWaalsContact O-CB 3.26Å; L53-F57 WeakPolarHBondContact O-CB 3.37Å; L53-F57 PolarHBondContact O-N 3.47Å
54G98.6Very high97.9Very high0 Ų051.4 Ų51.40%024%0.238CC..Hα-helixtrans-70.9-39178.700000113.1Y50 L51 K52 L58Y50-G54 PolarHBondContact O-N 3.19Å; L51-G54 PolarHBondContact O-N 3.26Å; K52-G54 VanDerWaalsContact C-N 3.27Å; K52-G54 PolarHBondContact O-N 3.39Å; G54-L58 WeakPolarHBondContact O-CB 3.38Å; G54-L58 WeakPolarHBondContact O-CD1 3.49Å; G54-L58 VanDerWaalsContact O-CG 3.24Å; G54-L58 WeakPolarHBondContact O-CG 3.46Å; G54-L58 PolarHBondContact O-N 3.13Å
55S98.7Very high97.9Very high0 Ų054.8 Ų54.80%026%0.256CS..Hα-helixtrans-65-50.4176.7-174.40000110.9L51 K52 F57 L58 L59 G67 A71L51-S55 VanDerWaalsContact O-CB 3.24Å; L51-S55 WeakPolarHBondContact O-CB 3.24Å; L51-S55 PolarHBondContact O-N 2.7Å; K52-S55 PolarHBondContact O-N 2.88Å; K52-S55 VanDerWaalsContact O-N 3.13Å; S55-F57 PolarHBondContact O-N 3.18Å; S55-L58 PolarHBondContact O-N 2.94Å; S55-L59 WeakPolarHBondContact O-CB 3.2Å; S55-L59 VanDerWaalsContact O-CG 3.24Å; S55-L59 WeakPolarHBondContact O-CG 3.34Å; S55-L59 PolarHBondContact O-N 3.39Å; S55-G67 PolarHBondContact OG-O 3.46Å; S55-A71 WeakPolarHBondContact OG-CB 3.41Å; S55-A71 PolarHBondContact OG-N 3.46Å
56E98.5Very high98Very high63 Ų6348 Ų4829%0.29423%0.227SC..Hα-helixtrans-54-52.8174.2-70.8164.8-175.200111.1K52 L58 L59 D60 L96K52-E56 WeakPolarHBondContact O-CB 3.33Å; K52-E56 WeakPolarHBondContact O-CG 3.38Å; K52-E56 PolarHBondContact O-N 3.47Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 2.62Å; E56-L59 PolarHBondContact O-N 2.87Å; E56-D60 VanDerWaalsContact O-CB 3.23Å; E56-D60 WeakPolarHBondContact O-CB 3.24Å; E56-D60 PolarHBondContact O-N 2.91Å; E56-L96 HydrophobicContact CG-CD2 4.18Å
57F98.5Very high98.1Very high32 Ų3245.4 Ų45.414%0.1421%0.214CC..Hα-helixtrans-55.5-43.6178.9169.3-108.3000113V19 F24 A27 L53 S55 N61V19-F57 HydrophobicContact CB-CZ 4.36Å; V19-F57 HydrophobicContact CG1-CD2 3.94Å; V19-F57 HydrophobicContact CG1-CE1 4.49Å; V19-F57 HydrophobicContact CG1-CE2 3.79Å; V19-F57 HydrophobicContact CG1-CG 4.36Å; V19-F57 HydrophobicContact CG1-CZ 4.08Å; V19-F57 HydrophobicContact CG2-CD1 4.31Å; V19-F57 HydrophobicContact CG2-CE1 4.2Å; V19-F57 HydrophobicContact CG2-CZ 4.49Å; F24-F57 AromaticContact CD1-CE1 3.8Å; F24-F57 HydrophobicContact CD1-CE1 3.8Å; F24-F57 AromaticContact CD1-CZ 3.82Å; F24-F57 HydrophobicContact CD1-CZ 3.82Å; F24-F57 HydrophobicContact CE1-CE1 4.16Å; F24-F57 HydrophobicContact CE1-CE2 4.37Å; F24-F57 AromaticContact CE1-CZ 3.73Å; F24-F57 HydrophobicContact CE1-CZ 3.73Å; A27-F57 HydrophobicContact CB-CE1 4.02Å; L53-F57 VanDerWaalsContact O-CB 3.26Å; L53-F57 WeakPolarHBondContact O-CB 3.37Å; L53-F57 PolarHBondContact O-N 3.47Å; S55-F57 PolarHBondContact O-N 3.18Å; F57-N61 PolarHBondContact O-N 3.26Å; F57-N61 PolarHBondContact O-ND2 3.49Å
58L98.7Very high98.1Very high0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-74.5-41.9-178.2-71.7170.8000112F24 H28 G54 S55 E56 N61 E62 Q63 L70F24-L58 HydrophobicContact CB-CD2 4.03Å; F24-L58 HydrophobicContact CD1-CD2 4.14Å; H28-L58 HydrophobicContact CB-CD1 3.94Å; G54-L58 WeakPolarHBondContact O-CB 3.38Å; G54-L58 WeakPolarHBondContact O-CD1 3.49Å; G54-L58 VanDerWaalsContact O-CG 3.24Å; G54-L58 WeakPolarHBondContact O-CG 3.46Å; G54-L58 PolarHBondContact O-N 3.13Å; S55-L58 PolarHBondContact O-N 2.94Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 2.62Å; L58-N61 CarbonylContact O-C 3.46Å; L58-N61 PolarHBondContact O-N 3.36Å; L58-E62 PolarHBondContact O-N 2.83Å; L58-Q63 HydrophobicContact CB-CB 4.07Å; L58-Q63 HydrophobicContact CD2-CB 3.96Å; L58-Q63 HydrophobicContact CD2-CG 4.11Å; L58-Q63 WeakPolarHBondContact O-CB 3.41Å; L58-Q63 PolarHBondContact O-N 3.39Å; L58-L70 HydrophobicContact CD1-CD1 3.61Å; L58-L70 HydrophobicContact CD1-CG 4.23Å
59L98.4Very high98.2Very high3 Ų348 Ų482%0.01623%0.226CC..Hα-helixtrans-66.5-43.2178-66.5173.9000111.3S55 E56 N61 E62 W64 R99 M100S55-L59 WeakPolarHBondContact O-CB 3.2Å; S55-L59 VanDerWaalsContact O-CG 3.24Å; S55-L59 WeakPolarHBondContact O-CG 3.34Å; S55-L59 PolarHBondContact O-N 3.39Å; E56-L59 PolarHBondContact O-N 2.87Å; L59-N61 PolarHBondContact O-N 2.8Å; L59-N61 VanDerWaalsContact O-N 3.09Å; L59-E62 PolarHBondContact O-N 2.74Å; L59-W64 HydrophobicContact CD2-CE3 4.02Å; L59-W64 WeakPolarHBondContact O-CZ3 3.25Å; L59-R99 HydrophobicContact CB-CB 3.87Å; L59-R99 HydrophobicContact CD1-CB 3.96Å; L59-M100 HydrophobicContact CD1-CE 4.12Å; L59-M100 HydrophobicContact CD1-CG 4.02Å; L59-M100 HydrophobicContact CD2-CG 3.96Å
60D98Very high98.2Very high102 Ų10243.1 Ų43.155%0.54521%0.205SC..THydrogen-bonded Turntrans-64.8-14.7176.3-66.7-11000112.7E56 R99E56-D60 VanDerWaalsContact O-CB 3.23Å; E56-D60 WeakPolarHBondContact O-CB 3.24Å; E56-D60 PolarHBondContact O-N 2.91Å; D60-R99 VanDerWaalsContact OD1-CD 3.27Å; D60-R99 WeakPolarHBondContact OD1-CD 3.36Å; D60-R99 IonicContact OD1-NE 3.93Å; D60-R99 PolarHBondContact OD1-NE 3.43Å
61N97.9Very high98.3Very high33 Ų3341.7 Ų41.718%0.17620%0.199CC..THydrogen-bonded Turntrans-112.925.2174.4-70.2-94.9000112.5F24 F57 L58 L59 Q63F24-N61 HydrophobicContact CD1-CB 4.31Å; F24-N61 HydrophobicContact CE1-CB 3.41Å; F24-N61 VanDerWaalsContact CE1-CB 3.41Å; F24-N61 HydrophobicContact CZ-CB 3.62Å; F57-N61 PolarHBondContact O-N 3.26Å; F57-N61 PolarHBondContact O-ND2 3.49Å; L58-N61 CarbonylContact O-C 3.46Å; L58-N61 PolarHBondContact O-N 3.36Å; L59-N61 PolarHBondContact O-N 2.8Å; L59-N61 VanDerWaalsContact O-N 3.09Å; N61-Q63 WeakPolarHBondContact O-CG 3.36Å; N61-Q63 PolarHBondContact O-N 2.99Å; N61-Q63 PolarHBondContact O-NE2 3.42Å; N61-Q63 VanDerWaalsContact O-NE2 3.08Å
62E97Very high98.3Very high140 Ų14042.3 Ų42.365%0.65420%0.203SC*.THydrogen-bonded Turntrans60.320.2172.5-50.1-177.7158.200114.8L58 L59 W64L58-E62 PolarHBondContact O-N 2.83Å; L59-E62 PolarHBondContact O-N 2.74Å; E62-W64 HydrophobicContact CB-CH2 4.02Å; E62-W64 HydrophobicContact CB-CZ2 3.5Å; E62-W64 HydrophobicContact CG-CH2 3.9Å; E62-W64 HydrophobicContact CG-CZ2 3.61Å; E62-W64 PolarHBondContact O-N 3.46Å; E62-W64 PolarHBondContact O-NE1 3.09Å
63Q97.9Very high98.3Very high68 Ų6842.4 Ų42.432%0.31821%0.205SC..  trans-86.663.6176.1-55.4-56.9-64.300109.9F24 L58 N61 E65 S66 G67F24-Q63 HydrophobicContact CB-CG 3.86Å; F24-Q63 HydrophobicContact CD1-CG 3.89Å; F24-Q63 HydrophobicContact CD2-CG 3.94Å; F24-Q63 HydrophobicContact CE1-CG 4.42Å; F24-Q63 HydrophobicContact CE2-CG 4.46Å; F24-Q63 HydrophobicContact CG-CG 3.63Å; L58-Q63 HydrophobicContact CB-CB 4.07Å; L58-Q63 HydrophobicContact CD2-CB 3.96Å; L58-Q63 HydrophobicContact CD2-CG 4.11Å; L58-Q63 WeakPolarHBondContact O-CB 3.41Å; L58-Q63 PolarHBondContact O-N 3.39Å; N61-Q63 WeakPolarHBondContact O-CG 3.36Å; N61-Q63 PolarHBondContact O-N 2.99Å; N61-Q63 PolarHBondContact O-NE2 3.42Å; N61-Q63 VanDerWaalsContact O-NE2 3.08Å; Q63-E65 PolarHBondContact O-N 3.42Å; Q63-S66 PolarHBondContact O-N 3.2Å; Q63-G67 PolarHBondContact O-N 3.08Å
64W97.1Very high98.3Very high92 Ų9238.6 Ų38.635%0.34819%0.185SC..Hα-helixtrans-54.3-52.7-165-50.5124.5000114.6L59 E62 S66 T68 R99 C101L59-W64 HydrophobicContact CD2-CE3 4.02Å; L59-W64 WeakPolarHBondContact O-CZ3 3.25Å; E62-W64 HydrophobicContact CB-CH2 4.02Å; E62-W64 HydrophobicContact CB-CZ2 3.5Å; E62-W64 HydrophobicContact CG-CH2 3.9Å; E62-W64 HydrophobicContact CG-CZ2 3.61Å; E62-W64 PolarHBondContact O-N 3.46Å; E62-W64 PolarHBondContact O-NE1 3.09Å; W64-S66 PolarHBondContact O-N 3.45Å; W64-T68 WeakPolarHBondContact O-CB 3.27Å; W64-T68 PolarHBondContact O-N 2.75Å; W64-T68 PolarHBondContact O-OG1 3.17Å; W64-R99 VanDerWaalsContact CZ3-O 3.24Å; W64-R99 WeakPolarHBondContact CZ3-O 3.43Å; W64-C101 HydrophobicContact CD2-CB 3.93Å; W64-C101 HydrophobicContact CE3-CB 4.26Å; W64-C101 HydrophobicContact CG-CB 4.38Å; W64-C101 HydrophobicContact CH2-CB 4.43Å; W64-C101 HydrophobicContact CZ2-CB 4.09Å
65E97.5Very high98.3Very high133 Ų13338.7 Ų38.762%0.62119%0.186SC*.Hα-helixtrans-59.8-49.3-179.4-175.6-172.717600110.9Q63 T68 E69 E105Q63-E65 PolarHBondContact O-N 3.42Å; E65-T68 PolarHBondContact O-N 3.29Å; E65-E69 WeakPolarHBondContact O-CB 3.39Å; E65-E69 PolarHBondContact O-N 3.42Å; E65-E105 HydrophobicContact CB-CG 4.45Å
66S98.2Very high98.2Very high24 Ų2441 Ų4117%0.16820%0.198CC..Hα-helixtrans-69.1-42.1-177.7-660000112.4H28 Q63 W64 E69 L70H28-S66 PolarHBondContact CE1-OG 2.93Å; H28-S66 VanDerWaalsContact ND1-CB 3.27Å; H28-S66 WeakPolarHBondContact ND1-CB 3.43Å; H28-S66 PolarHBondContact ND1-OG 3.38Å; Q63-S66 PolarHBondContact O-N 3.2Å; W64-S66 PolarHBondContact O-N 3.45Å; S66-E69 PolarHBondContact O-N 2.91Å; S66-L70 PolarHBondContact O-N 2.91Å
67G98.5Very high98.2Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-65.9-39.5177.200000112.4S55 Q63 L70 A71S55-G67 PolarHBondContact OG-O 3.46Å; Q63-G67 PolarHBondContact O-N 3.08Å; G67-L70 PolarHBondContact O-N 3.33Å; G67-A71 PolarHBondContact O-N 3.14Å
68T98.6Very high98.2Very high1 Ų136.6 Ų36.61%0.00618%0.178CC..Hα-helixtrans-73.8-33.3177.8-52.70000112.2W64 E65 L70 A71 C72 M100 E105 F109W64-T68 WeakPolarHBondContact O-CB 3.27Å; W64-T68 PolarHBondContact O-N 2.75Å; W64-T68 PolarHBondContact O-OG1 3.17Å; E65-T68 PolarHBondContact O-N 3.29Å; T68-L70 VanDerWaalsContact C-N 3.35Å; T68-A71 PolarHBondContact O-N 3.3Å; T68-C72 WeakPolarHBondContact O-CB 3.29Å; T68-C72 PolarHBondContact O-N 3.05Å; T68-C72 PolarHBondContact O-SG 3.46Å; T68-M100 HydrophobicContact CG2-CE 3.89Å; T68-M100 HydrophobicContact CG2-SD 3.92Å; T68-E105 HydrophobicContact CG2-CB 4.01Å; T68-E105 VanDerWaalsContact CG2-O 3.22Å; T68-E105 WeakPolarHBondContact CG2-O 3.37Å; T68-F109 HydrophobicContact CG2-CB 3.9Å
69E98.5Very high98Very high71 Ų7140.1 Ų40.133%0.33220%0.203SC..Hα-helixtrans-59.2-47.6170.7-171.2-179.3-170.700110.3H28 K32 E65 S66 A71 C72 L73H28-E69 IonicContact CE1-OE2 3.36Å; H28-E69 PolarHBondContact CE1-OE2 3.26Å; H28-E69 IonicContact NE2-OE2 3.45Å; H28-E69 PolarHBondContact NE2-OE2 3.03Å; H28-E69 VanDerWaalsContact NE2-OE2 3.13Å; K32-E69 WeakPolarHBondContact CE-OE1 3.27Å; K32-E69 IonicContact NZ-OE1 3.93Å; K32-E69 PolarHBondContact NZ-OE1 3.48Å; K32-E69 IonicContact NZ-OE2 3.72Å; K32-E69 PolarHBondContact NZ-OE2 3.11Å; E65-E69 WeakPolarHBondContact O-CB 3.39Å; E65-E69 PolarHBondContact O-N 3.42Å; S66-E69 PolarHBondContact O-N 2.91Å; E69-A71 PolarHBondContact O-N 3.42Å; E69-C72 WeakPolarHBondContact O-CB 3.28Å; E69-C72 PolarHBondContact O-N 3.36Å; E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 3.29Å
70L98.8Very high97.9Very high0 Ų045.2 Ų45.20%023%0.227CC..Hα-helixtrans-63.8-39.7176-66.1-169.2000112.5Y31 K32 L51 L58 S66 G67 T68 C72 L73 V74Y31-L70 HydrophobicContact CD2-CD1 3.99Å; Y31-L70 HydrophobicContact CG-CD1 4.02Å; K32-L70 HydrophobicContact CG-CD2 3.78Å; L51-L70 HydrophobicContact CD2-CD2 3.92Å; L58-L70 HydrophobicContact CD1-CD1 3.61Å; L58-L70 HydrophobicContact CD1-CG 4.23Å; S66-L70 PolarHBondContact O-N 2.91Å; G67-L70 PolarHBondContact O-N 3.33Å; T68-L70 VanDerWaalsContact C-N 3.35Å; L70-C72 VanDerWaalsContact C-N 3.33Å; L70-C72 PolarHBondContact O-N 3.4Å; L70-L73 HydrophobicContact CD2-CD1 4.05Å; L70-L73 WeakPolarHBondContact O-CB 3.48Å; L70-L73 PolarHBondContact O-N 3.4Å; L70-L73 VanDerWaalsContact O-N 3.13Å; L70-V74 PolarHBondContact O-N 3.11Å
71A98.8Very high97.8Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-60.8-43.1174.400000111.6S55 G67 T68 E69 L73 V74 L75 L96 M100 F109S55-A71 WeakPolarHBondContact OG-CB 3.41Å; S55-A71 PolarHBondContact OG-N 3.46Å; G67-A71 PolarHBondContact O-N 3.14Å; T68-A71 PolarHBondContact O-N 3.3Å; E69-A71 PolarHBondContact O-N 3.42Å; A71-L73 VanDerWaalsContact C-N 3.26Å; A71-L73 PolarHBondContact O-N 3.48Å; A71-V74 VanDerWaalsContact O-CB 3.27Å; A71-V74 WeakPolarHBondContact O-CB 3.37Å; A71-V74 PolarHBondContact O-N 3.02Å; A71-L75 PolarHBondContact O-N 3.3Å; A71-L96 HydrophobicContact CB-CB 4.5Å; A71-L96 HydrophobicContact CB-CD1 4.16Å; A71-M100 HydrophobicContact CB-CE 3.38Å; A71-F109 HydrophobicContact CB-CD2 3.71Å; A71-F109 HydrophobicContact CB-CE2 3.57Å; A71-F109 HydrophobicContact CB-CZ 4.5Å
72C98.7Very high97.5Very high13 Ų1348.1 Ų48.19%0.08824%0.238CC..Hα-helixtrans-60-38.2174.2-76.80000111.5T68 E69 L70 V74 L75 D76 K112T68-C72 WeakPolarHBondContact O-CB 3.29Å; T68-C72 PolarHBondContact O-N 3.05Å; T68-C72 PolarHBondContact O-SG 3.46Å; E69-C72 WeakPolarHBondContact O-CB 3.28Å; E69-C72 PolarHBondContact O-N 3.36Å; L70-C72 VanDerWaalsContact C-N 3.33Å; L70-C72 PolarHBondContact O-N 3.4Å; C72-V74 VanDerWaalsContact C-N 3.32Å; C72-L75 WeakPolarHBondContact O-CB 3.46Å; C72-L75 PolarHBondContact O-N 3.48Å; C72-D76 PolarHBondContact O-N 2.82Å; C72-D76 VanDerWaalsContact O-N 3.11Å; C72-K112 HydrophobicContact CB-CD 4.1Å; C72-K112 WeakPolarHBondContact O-CE 3.41Å; C72-K112 PolarHBondContact O-NZ 2.71Å
73L98.6Very high97.1Very high34 Ų3444 Ų4418%0.17822%0.223CC..Hα-helixtrans-66-33174.4-67.2173.9000112.1K32 L51 E69 L70 A71 L75 D76 V77K32-L73 HydrophobicContact CG-CD1 4.22Å; L51-L73 HydrophobicContact CD1-CB 3.77Å; L51-L73 HydrophobicContact CD2-CB 3.82Å; L51-L73 HydrophobicContact CD2-CD1 3.97Å; L51-L73 HydrophobicContact CG-CB 4.43Å; E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 3.29Å; L70-L73 HydrophobicContact CD2-CD1 4.05Å; L70-L73 WeakPolarHBondContact O-CB 3.48Å; L70-L73 PolarHBondContact O-N 3.4Å; L70-L73 VanDerWaalsContact O-N 3.13Å; A71-L73 VanDerWaalsContact C-N 3.26Å; A71-L73 PolarHBondContact O-N 3.48Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 3.49Å; L73-D76 WeakPolarHBondContact O-CB 3.36Å; L73-D76 PolarHBondContact O-N 3.48Å; L73-D76 VanDerWaalsContact O-N 3.16Å; L73-V77 WeakPolarHBondContact O-CG2 3.22Å; L73-V77 PolarHBondContact O-N 3.2Å
74V98.6Very high96.9Very high1 Ų146 Ų461%0.00624%0.24CC..Hα-helixtrans-56.1-46.9172.1176.10000110.1L48 L51 K52 L70 A71 C72 D76 V77 Y78 L96L48-V74 HydrophobicContact CD2-CG1 3.8Å; L51-V74 HydrophobicContact CB-CG2 3.56Å; L51-V74 HydrophobicContact CD1-CG2 4.46Å; K52-V74 HydrophobicContact CG-CG1 4.3Å; K52-V74 HydrophobicContact CG-CG2 4.04Å; L70-V74 PolarHBondContact O-N 3.11Å; A71-V74 VanDerWaalsContact O-CB 3.27Å; A71-V74 WeakPolarHBondContact O-CB 3.37Å; A71-V74 PolarHBondContact O-N 3.02Å; C72-V74 VanDerWaalsContact C-N 3.32Å; V74-D76 VanDerWaalsContact C-N 3.33Å; V74-D76 PolarHBondContact O-N 3.06Å; V74-V77 PolarHBondContact O-N 2.99Å; V74-Y78 HydrophobicContact CG1-CD2 4.03Å; V74-Y78 HydrophobicContact CG1-CE2 3.6Å; V74-Y78 WeakPolarHBondContact O-CD2 3.42Å; V74-Y78 PolarHBondContact O-N 3.13Å; V74-L96 HydrophobicContact CB-CD1 4.37Å; V74-L96 HydrophobicContact CG1-CD1 4.38Å; V74-L96 HydrophobicContact CG2-CD1 4.21Å
75L98.4Very high97Very high2 Ų242 Ų421%0.0123%0.225CC..Hα-helixtrans-63.4-37177.5-55.1-178.5000112.5A71 C72 L73 Y78 S79 I93 F109 K112 A113 L116A71-L75 PolarHBondContact O-N 3.3Å; C72-L75 WeakPolarHBondContact O-CB 3.46Å; C72-L75 PolarHBondContact O-N 3.48Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 3.49Å; L75-Y78 PolarHBondContact O-N 3.2Å; L75-S79 PolarHBondContact O-N 2.69Å; L75-I93 HydrophobicContact CD2-CD1 3.85Å; L75-I93 HydrophobicContact CD2-CG1 3.81Å; L75-I93 HydrophobicContact CD2-CG2 4.31Å; L75-F109 HydrophobicContact CD1-CD2 3.73Å; L75-F109 HydrophobicContact CD1-CE2 3.54Å; L75-F109 HydrophobicContact CD1-CG 4.47Å; L75-F109 HydrophobicContact CD1-CZ 4.15Å; L75-F109 HydrophobicContact CD2-CE2 4.17Å; L75-F109 HydrophobicContact CD2-CZ 4.34Å; L75-F109 HydrophobicContact CG-CD2 4.39Å; L75-F109 HydrophobicContact CG-CE2 3.81Å; L75-F109 HydrophobicContact CG-CZ 4.44Å; L75-K112 HydrophobicContact CB-CD 4.15Å; L75-K112 HydrophobicContact CB-CG 4.2Å; L75-K112 HydrophobicContact CD1-CB 3.81Å; L75-K112 HydrophobicContact CD1-CD 4.08Å; L75-K112 HydrophobicContact CD1-CG 3.86Å; L75-A113 HydrophobicContact CD1-CB 4Å; L75-L116 HydrophobicContact CB-CD2 4.15Å; L75-L116 HydrophobicContact CD2-CD2 3.71Å; L75-L116 HydrophobicContact CG-CD2 4.49Å
76D97.8Very high96.9Very high48 Ų4838.8 Ų38.826%0.25721%0.214SC..Hα-helixtrans-63.8-41.7174-72.8-32.9000112.2C72 L73 V74 Y78 S79 Q80 K112C72-D76 PolarHBondContact O-N 2.82Å; C72-D76 VanDerWaalsContact O-N 3.11Å; L73-D76 WeakPolarHBondContact O-CB 3.36Å; L73-D76 PolarHBondContact O-N 3.48Å; L73-D76 VanDerWaalsContact O-N 3.16Å; V74-D76 VanDerWaalsContact C-N 3.33Å; V74-D76 PolarHBondContact O-N 3.06Å; D76-Y78 VanDerWaalsContact C-N 3.32Å; D76-Y78 PolarHBondContact O-N 3.12Å; D76-S79 PolarHBondContact O-N 3.13Å; D76-Q80 WeakPolarHBondContact O-CB 3.34Å; D76-Q80 VanDerWaalsContact O-CG 3.3Å; D76-Q80 WeakPolarHBondContact O-CG 3.31Å; D76-Q80 PolarHBondContact O-N 2.64Å; D76-K112 WeakPolarHBondContact OD1-CE 3.45Å; D76-K112 IonicContact OD1-NZ 2.62Å; D76-K112 PolarHBondContact OD1-NZ 2.77Å; D76-K112 IonicContact OD2-NZ 2.94Å; D76-K112 PolarHBondContact OD2-NZ 3.11Å
77V98.1Very high96.9Very high2 Ų244.7 Ų44.71%0.01224%0.239CC..Hα-helixtrans-64.3-41.2178.3178.20000110.2M39 Y44 A47 L48 L51 L73 V74 Q80 S81M39-V77 HydrophobicContact CE-CG2 4.31Å; M39-V77 HydrophobicContact SD-CG1 4.26Å; M39-V77 HydrophobicContact SD-CG2 3.74Å; Y44-V77 HydrophobicContact CD1-CG1 4Å; Y44-V77 HydrophobicContact CG-CG1 4.36Å; A47-V77 HydrophobicContact CB-CG1 4.31Å; A47-V77 HydrophobicContact CB-CG2 4.2Å; L48-V77 HydrophobicContact CD1-CG1 4.28Å; L48-V77 HydrophobicContact CD2-CB 3.83Å; L48-V77 HydrophobicContact CD2-CG1 3.78Å; L48-V77 HydrophobicContact CG-CB 4.26Å; L48-V77 HydrophobicContact CG-CG1 3.66Å; L51-V77 HydrophobicContact CD1-CG2 3.68Å; L73-V77 WeakPolarHBondContact O-CG2 3.22Å; L73-V77 PolarHBondContact O-N 3.2Å; V74-V77 PolarHBondContact O-N 2.99Å; V77-Q80 PolarHBondContact O-N 2.86Å; V77-S81 WeakPolarHBondContact O-CB 3.38Å; V77-S81 PolarHBondContact O-N 3.39Å; V77-S81 PolarHBondContact O-OG 3.32Å
78Y97.6Very high96.8Very high2 Ų248.1 Ų48.11%0.00826%0.263CS..Hα-helixtrans-59.5-46.1172-75.4-45.9000112.3L48 K52 V74 L75 D76 Q80 S81 L85 H89 E92 I93 L116L48-Y78 HydrophobicContact CD1-CD1 4.13Å; L48-Y78 HydrophobicContact CD1-CE1 3.56Å; L48-Y78 HydrophobicContact CD2-CD1 4.14Å; L48-Y78 HydrophobicContact CD2-CD2 4.37Å; L48-Y78 HydrophobicContact CD2-CE1 3.8Å; L48-Y78 HydrophobicContact CD2-CE2 4.09Å; L48-Y78 HydrophobicContact CD2-CG 4.37Å; L48-Y78 HydrophobicContact CG-CE1 4.35Å; K52-Y78 VanDerWaalsContact CE-OH 3.25Å; K52-Y78 WeakPolarHBondContact CE-OH 3.21Å; K52-Y78 PolarHBondContact NZ-OH 2.96Å; V74-Y78 HydrophobicContact CG1-CD2 4.03Å; V74-Y78 HydrophobicContact CG1-CE2 3.6Å; V74-Y78 WeakPolarHBondContact O-CD2 3.42Å; V74-Y78 PolarHBondContact O-N 3.13Å; L75-Y78 PolarHBondContact O-N 3.2Å; D76-Y78 VanDerWaalsContact C-N 3.32Å; D76-Y78 PolarHBondContact O-N 3.12Å; Y78-Q80 PolarHBondContact O-N 3.5Å; Y78-S81 PolarHBondContact O-OG 3.39Å; Y78-S81 VanDerWaalsContact O-OG 3.07Å; Y78-L85 HydrophobicContact CD1-CD2 3.67Å; Y78-L85 HydrophobicContact CD2-CD2 4.13Å; Y78-L85 HydrophobicContact CE1-CD2 4.19Å; Y78-L85 HydrophobicContact CG-CD2 3.68Å; Y78-H89 AromaticContact CE1-CD2 3.55Å; Y78-H89 AromaticContact CZ-CD2 3.74Å; Y78-H89 PolarHBondContact OH-CD2 3.35Å; Y78-E92 PolarHBondContact OH-OE2 3.49Å; Y78-I93 HydrophobicContact CE2-CG1 4.49Å; Y78-L116 HydrophobicContact CD2-CD2 4.34Å
79S95.8Very high96.8Very high74 Ų7450.2 Ų50.252%0.51727%0.273SS..Hα-helixtrans-63.4-41.4178.3-172.40000113.1L75 D76L75-S79 PolarHBondContact O-N 2.69Å; D76-S79 PolarHBondContact O-N 3.13Å
80Q95.9Very high96.8Very high110 Ų11047 Ų4751%0.51426%0.258SS..Hα-helixtrans-81.5-27.1-175.3-7118035.800113.4M39 D76 V77 Y78 E82M39-Q80 HydrophobicContact CE-CB 4.07Å; M39-Q80 HydrophobicContact CE-CG 4.48Å; D76-Q80 WeakPolarHBondContact O-CB 3.34Å; D76-Q80 VanDerWaalsContact O-CG 3.3Å; D76-Q80 WeakPolarHBondContact O-CG 3.31Å; D76-Q80 PolarHBondContact O-N 2.64Å; V77-Q80 PolarHBondContact O-N 2.86Å; Y78-Q80 PolarHBondContact O-N 3.5Å; Q80-E82 PolarHBondContact O-N 3.19Å
81S95.7Very high96.7Very high22 Ų2251.7 Ų51.715%0.15428%0.283CS..THydrogen-bonded Turntrans-75.2-9.6174.859.20000113Y44 V77 Y78 T83Y44-S81 VanDerWaalsContact CD2-CB 3.45Å; V77-S81 WeakPolarHBondContact O-CB 3.38Å; V77-S81 PolarHBondContact O-N 3.39Å; V77-S81 PolarHBondContact O-OG 3.32Å; Y78-S81 PolarHBondContact O-OG 3.39Å; Y78-S81 VanDerWaalsContact O-OG 3.07Å; S81-T83 WeakPolarHBondContact CB-OG1 3.35Å; S81-T83 PolarHBondContact O-N 2.83Å; S81-T83 VanDerWaalsContact O-N 3.13Å; S81-T83 WeakPolarHBondContact OG-CB 3.32Å; S81-T83 PolarHBondContact OG-OG1 3.27Å
82E90.6Very high96.7Very high174 Ų17454.6 Ų54.681%0.81330%0.297SS*.THydrogen-bonded Turntrans52.529.2-172.1-58.4-177.6172.200112Q80 V84Q80-E82 PolarHBondContact O-N 3.19Å; E82-V84 PolarHBondContact O-N 3.02Å
83T89.7Confident96.7Very high53 Ų5354 Ų5433%0.32529%0.293SS..  trans-67.1128.7179.8-62.90000109S81 L85S81-T83 WeakPolarHBondContact CB-OG1 3.35Å; S81-T83 PolarHBondContact O-N 2.83Å; S81-T83 VanDerWaalsContact O-N 3.13Å; S81-T83 WeakPolarHBondContact OG-CB 3.32Å; S81-T83 PolarHBondContact OG-OG1 3.27Å; T83-L85 PolarHBondContact O-N 2.96Å
84V94.2Very high96.7Very high111 Ų11152.8 Ų52.867%0.67329%0.287SS*.  trans-69.5113.8167.9-179.90000107.7E82E82-V84 PolarHBondContact O-N 3.02Å
85L97.4Very high96.6Very high8 Ų857 Ų574%0.04231%0.306CS..  trans-69.4149.2-179.7-58.2172.4000110.1Y78 T83 H89 L116 L117 Q120 L123Y78-L85 HydrophobicContact CD1-CD2 3.67Å; Y78-L85 HydrophobicContact CD2-CD2 4.13Å; Y78-L85 HydrophobicContact CE1-CD2 4.19Å; Y78-L85 HydrophobicContact CG-CD2 3.68Å; T83-L85 PolarHBondContact O-N 2.96Å; L85-H89 HydrophobicContact CB-CB 4.38Å; L85-H89 HydrophobicContact CD2-CB 3.9Å; L85-L116 HydrophobicContact CD1-CD1 4.29Å; L85-L116 HydrophobicContact CD1-CD2 3.82Å; L85-L116 HydrophobicContact CD1-CG 3.76Å; L85-L117 HydrophobicContact CD1-CD2 3.72Å; L85-Q120 VanDerWaalsContact CB-OE1 3.24Å; L85-Q120 VanDerWaalsContact N-OE1 3.07Å; L85-Q120 PolarHBondContact O-NE2 3.18Å; L85-L123 HydrophobicContact CB-CD1 3.69Å; L85-L123 WeakPolarHBondContact O-CD1 3.4Å
86T97.2Very high96.6Very high65 Ų6556.9 Ų56.940%0.39931%0.306SS..  trans-125172.8178.565.40000108.4S88 H89 L90T86-S88 VanDerWaalsContact C-N 3.28Å; T86-S88 PolarHBondContact O-N 3.23Å; T86-H89 PolarHBondContact N-ND1 3.07Å; T86-H89 WeakPolarHBondContact O-CB 3.23Å; T86-H89 PolarHBondContact O-N 3.4Å; T86-H89 PolarHBondContact OG1-CE1 2.85Å; T86-H89 PolarHBondContact OG1-ND1 3.04Å; T86-L90 PolarHBondContact O-N 2.69Å
87E96.9Very high96.7Very high147 Ų14754.7 Ų54.769%0.68729%0.294SS*.Hα-helixtrans-55.5-43.1174.9-67.8172.4-17400111.8H89 L90 D91 L123E87-H89 VanDerWaalsContact C-N 3.28Å; E87-H89 PolarHBondContact O-N 3.48Å; E87-L90 CarbonylContact O-C 3.39Å; E87-L90 WeakPolarHBondContact O-CA 3.4Å; E87-L90 VanDerWaalsContact O-CB 3.32Å; E87-L90 WeakPolarHBondContact O-CB 3.47Å; E87-L90 PolarHBondContact O-N 3.12Å; E87-D91 VanDerWaalsContact O-CG 3.32Å; E87-D91 PolarHBondContact O-N 3.25Å; E87-L123 HydrophobicContact CG-CD2 4.09Å
88S97.4Very high96.6Very high73 Ų7358.2 Ų58.251%0.5131%0.312SS..Hα-helixtrans-59.6-35.8175.5172.40000113.4T86 E92T86-S88 VanDerWaalsContact C-N 3.28Å; T86-S88 PolarHBondContact O-N 3.23Å; S88-E92 WeakPolarHBondContact O-CG 3.47Å; S88-E92 PolarHBondContact O-N 2.9Å
89H97.6Very high96.6Very high44 Ų4461.4 Ų61.420%0.20432%0.324CS..Hα-helixtrans-71.9-33.4174.1-59.3109.9000111.7Y78 L85 T86 E87 E92 I93Y78-H89 AromaticContact CE1-CD2 3.55Å; Y78-H89 AromaticContact CZ-CD2 3.74Å; Y78-H89 PolarHBondContact OH-CD2 3.35Å; L85-H89 HydrophobicContact CB-CB 4.38Å; L85-H89 HydrophobicContact CD2-CB 3.9Å; T86-H89 PolarHBondContact N-ND1 3.07Å; T86-H89 WeakPolarHBondContact O-CB 3.23Å; T86-H89 PolarHBondContact O-N 3.4Å; T86-H89 PolarHBondContact OG1-CE1 2.85Å; T86-H89 PolarHBondContact OG1-ND1 3.04Å; E87-H89 VanDerWaalsContact C-N 3.28Å; E87-H89 PolarHBondContact O-N 3.48Å; H89-E92 IonicContact CD2-OE2 2.71Å; H89-I93 WeakPolarHBondContact O-CG1 3.25Å; H89-I93 PolarHBondContact O-N 3.21Å
90L98.3Very high96.7Very high4 Ų458.3 Ų58.32%0.02130%0.301CS..Hα-helixtrans-67.1-41.3175.7179.861.4000111.1T86 E87 E92 I93 C94 L117 L123 V126 F127T86-L90 PolarHBondContact O-N 2.69Å; E87-L90 CarbonylContact O-C 3.39Å; E87-L90 WeakPolarHBondContact O-CA 3.4Å; E87-L90 VanDerWaalsContact O-CB 3.32Å; E87-L90 WeakPolarHBondContact O-CB 3.47Å; E87-L90 PolarHBondContact O-N 3.12Å; L90-E92 VanDerWaalsContact C-N 3.29Å; L90-E92 PolarHBondContact O-N 2.62Å; L90-I93 WeakPolarHBondContact O-CB 3.29Å; L90-I93 PolarHBondContact O-N 3.47Å; L90-I93 VanDerWaalsContact O-N 3.07Å; L90-C94 PolarHBondContact O-N 2.97Å; L90-C94 PolarHBondContact O-SG 3.44Å; L90-C94 VanDerWaalsContact O-SG 3.34Å; L90-L117 HydrophobicContact CD1-CD1 3.92Å; L90-L117 HydrophobicContact CD1-CD2 4.47Å; L90-L123 HydrophobicContact CB-CD2 4.46Å; L90-L123 HydrophobicContact CD2-CB 4.3Å; L90-L123 HydrophobicContact CD2-CD2 4.07Å; L90-V126 HydrophobicContact CD2-CB 3.76Å; L90-V126 HydrophobicContact CD2-CG1 3.58Å; L90-F127 HydrophobicContact CD1-CB 3.86Å; L90-F127 HydrophobicContact CD1-CD2 3.78Å; L90-F127 HydrophobicContact CD1-CG 4.19Å
91D98.2Very high96.6Very high99 Ų9956 Ų5653%0.52930%0.297SS..Hα-helixtrans-57.1-45175.8-64.9-26.7000110.7E87 I93 C94 E95E87-D91 VanDerWaalsContact O-CG 3.32Å; E87-D91 PolarHBondContact O-N 3.25Å; D91-I93 VanDerWaalsContact C-N 3.33Å; D91-I93 PolarHBondContact O-N 3.04Å; D91-C94 WeakPolarHBondContact O-CB 3.46Å; D91-C94 PolarHBondContact O-N 3.37Å; D91-E95 WeakPolarHBondContact O-CB 3.43Å; D91-E95 VanDerWaalsContact O-CG 3.32Å; D91-E95 WeakPolarHBondContact O-CG 3.35Å; D91-E95 PolarHBondContact O-N 2.97Å
92E97.6Very high96.6Very high60 Ų6058.4 Ų58.428%0.2831%0.312SS..Hα-helixtrans-62-38.1175.5-64.7168.8148.900112.9K52 Y78 S88 H89 L90 E95 L96K52-E92 VanDerWaalsContact CE-OE2 3.23Å; K52-E92 WeakPolarHBondContact CE-OE2 3.48Å; K52-E92 IonicContact NZ-OE1 2.68Å; K52-E92 PolarHBondContact NZ-OE1 2.94Å; K52-E92 IonicContact NZ-OE2 3.13Å; K52-E92 PolarHBondContact NZ-OE2 3.23Å; Y78-E92 PolarHBondContact OH-OE2 3.49Å; S88-E92 WeakPolarHBondContact O-CG 3.47Å; S88-E92 PolarHBondContact O-N 2.9Å; H89-E92 IonicContact CD2-OE2 2.71Å; L90-E92 VanDerWaalsContact C-N 3.29Å; L90-E92 PolarHBondContact O-N 2.62Å; E92-E95 PolarHBondContact O-N 3.14Å; E92-L96 WeakPolarHBondContact O-CG 3.47Å; E92-L96 PolarHBondContact O-N 3.19Å; E92-L96 VanDerWaalsContact O-N 3.09Å
93I98.4Very high96.8Very high1 Ų152 Ų521%0.00529%0.292CS..Hα-helixtrans-65.8-42.1175.9-68.4168.6000110.3L75 Y78 H89 L90 D91 L96 L97 F109 A113 L116 F127L75-I93 HydrophobicContact CD2-CD1 3.85Å; L75-I93 HydrophobicContact CD2-CG1 3.81Å; L75-I93 HydrophobicContact CD2-CG2 4.31Å; Y78-I93 HydrophobicContact CE2-CG1 4.49Å; H89-I93 WeakPolarHBondContact O-CG1 3.25Å; H89-I93 PolarHBondContact O-N 3.21Å; L90-I93 WeakPolarHBondContact O-CB 3.29Å; L90-I93 PolarHBondContact O-N 3.47Å; L90-I93 VanDerWaalsContact O-N 3.07Å; D91-I93 VanDerWaalsContact C-N 3.33Å; D91-I93 PolarHBondContact O-N 3.04Å; I93-L96 PolarHBondContact O-N 2.9Å; I93-L97 PolarHBondContact O-N 3.07Å; I93-F109 HydrophobicContact CG2-CE1 4.17Å; I93-F109 HydrophobicContact CG2-CZ 3.96Å; I93-A113 HydrophobicContact CG2-CB 4.16Å; I93-L116 HydrophobicContact CD1-CD2 4.16Å; I93-F127 HydrophobicContact CG2-CE2 3.99Å
94C98.5Very high97.1Very high8 Ų855.8 Ų55.85%0.05431%0.306CS..Hα-helixtrans-65.7-40.8176.6-69.70000111.9L90 D91 L96 L97 I98 Y130L90-C94 PolarHBondContact O-N 2.97Å; L90-C94 PolarHBondContact O-SG 3.44Å; L90-C94 VanDerWaalsContact O-SG 3.34Å; D91-C94 WeakPolarHBondContact O-CB 3.46Å; D91-C94 PolarHBondContact O-N 3.37Å; C94-L96 VanDerWaalsContact C-N 3.33Å; C94-L96 PolarHBondContact O-N 3.39Å; C94-L97 WeakPolarHBondContact O-CB 3.31Å; C94-L97 PolarHBondContact O-N 2.79Å; C94-L97 VanDerWaalsContact O-N 3.14Å; C94-I98 PolarHBondContact O-N 3.05Å; C94-Y130 HydrophobicContact CB-CD1 4.01Å; C94-Y130 HydrophobicContact CB-CD2 4.22Å; C94-Y130 HydrophobicContact CB-CE1 3.73Å; C94-Y130 HydrophobicContact CB-CE2 3.95Å; C94-Y130 HydrophobicContact CB-CG 4.25Å; C94-Y130 PolarHBondContact O-OH 2.91Å
95E98.1Very high97.1Very high89 Ų8952.2 Ų52.242%0.41628%0.282SS..Hα-helixtrans-60-41.6174.8-79.2-59.7124.100111.9D91 E92 I98 R99D91-E95 WeakPolarHBondContact O-CB 3.43Å; D91-E95 VanDerWaalsContact O-CG 3.32Å; D91-E95 WeakPolarHBondContact O-CG 3.35Å; D91-E95 PolarHBondContact O-N 2.97Å; E92-E95 PolarHBondContact O-N 3.14Å; E95-I98 WeakPolarHBondContact O-CG2 3.45Å; E95-R99 VanDerWaalsContact C-NH1 3.34Å; E95-R99 PolarHBondContact O-NH1 2.89Å; E95-R99 IonicContact OE2-CZ 3.32Å; E95-R99 IonicContact OE2-NH1 2.69Å; E95-R99 PolarHBondContact OE2-NH1 3.48Å; E95-R99 IonicContact OE2-NH2 3.13Å; E95-R99 PolarHBondContact OE2-NH2 2.8Å
96L98.5Very high97.1Very high1 Ų152.8 Ų52.81%0.00528%0.284CS..Hα-helixtrans-65.7-42.7173.2-68.2175.3000111.5E56 A71 V74 E92 I93 C94 I98 R99 M100 F109E56-L96 HydrophobicContact CG-CD2 4.18Å; A71-L96 HydrophobicContact CB-CB 4.5Å; A71-L96 HydrophobicContact CB-CD1 4.16Å; V74-L96 HydrophobicContact CB-CD1 4.37Å; V74-L96 HydrophobicContact CG1-CD1 4.38Å; V74-L96 HydrophobicContact CG2-CD1 4.21Å; E92-L96 WeakPolarHBondContact O-CG 3.47Å; E92-L96 PolarHBondContact O-N 3.19Å; E92-L96 VanDerWaalsContact O-N 3.09Å; I93-L96 PolarHBondContact O-N 2.9Å; C94-L96 VanDerWaalsContact C-N 3.33Å; C94-L96 PolarHBondContact O-N 3.39Å; L96-I98 PolarHBondContact O-N 3.19Å; L96-R99 PolarHBondContact O-N 3.39Å; L96-M100 HydrophobicContact CB-CE 4.48Å; L96-M100 WeakPolarHBondContact O-CG 3.23Å; L96-F109 HydrophobicContact CB-CZ 4.09Å
97L98.5Very high97.2Very high1 Ų153.1 Ų53.11%0.00529%0.286CS..Hα-helixtrans-59.7-46.2-179.6179.867.4000112.4I93 C94 R99 M100 R106 F109 V110 F127 Y130 L131I93-L97 PolarHBondContact O-N 3.07Å; C94-L97 WeakPolarHBondContact O-CB 3.31Å; C94-L97 PolarHBondContact O-N 2.79Å; C94-L97 VanDerWaalsContact O-N 3.14Å; L97-R99 PolarHBondContact O-N 2.64Å; L97-M100 WeakPolarHBondContact O-CB 3.35Å; L97-M100 PolarHBondContact O-N 3.15Å; L97-R106 HydrophobicContact CD1-CG 3.74Å; L97-F109 HydrophobicContact CB-CD1 4.49Å; L97-F109 HydrophobicContact CB-CE1 3.98Å; L97-F109 HydrophobicContact CD1-CD1 3.94Å; L97-F109 HydrophobicContact CD1-CE1 4.24Å; L97-V110 HydrophobicContact CD1-CG2 3.53Å; L97-F127 HydrophobicContact CD2-CE2 4.07Å; L97-F127 HydrophobicContact CD2-CZ 4.11Å; L97-Y130 HydrophobicContact CD2-CD1 4.13Å; L97-Y130 HydrophobicContact CD2-CE1 4.02Å; L97-L131 HydrophobicContact CD2-CD1 3.98Å
98I97.2Very high97.2Very high76 Ų7651.5 Ų51.539%0.3927%0.274SS..Hα-helixtrans-69.6-21.8-173.8-165.260.7000113.2C94 E95 L96 M100 Y130 V134C94-I98 PolarHBondContact O-N 3.05Å; E95-I98 WeakPolarHBondContact O-CG2 3.45Å; L96-I98 PolarHBondContact O-N 3.19Å; I98-M100 VanDerWaalsContact C-N 3.28Å; I98-Y130 WeakPolarHBondContact CB-OH 3.46Å; I98-V134 HydrophobicContact CD1-CG1 4.2Å; I98-V134 HydrophobicContact CD1-CG2 3.94Å
99R97.6Very high97.3Very high70 Ų7048 Ų4826%0.26425%0.249SC..THydrogen-bonded Turntrans-77.7-12.9173.6-70173.4174.871.6-0.5112.8L59 D60 W64 E95 L96 L97L59-R99 HydrophobicContact CB-CB 3.87Å; L59-R99 HydrophobicContact CD1-CB 3.96Å; D60-R99 VanDerWaalsContact OD1-CD 3.27Å; D60-R99 WeakPolarHBondContact OD1-CD 3.36Å; D60-R99 IonicContact OD1-NE 3.93Å; D60-R99 PolarHBondContact OD1-NE 3.43Å; W64-R99 VanDerWaalsContact CZ3-O 3.24Å; W64-R99 WeakPolarHBondContact CZ3-O 3.43Å; E95-R99 VanDerWaalsContact C-NH1 3.34Å; E95-R99 PolarHBondContact O-NH1 2.89Å; E95-R99 IonicContact OE2-CZ 3.32Å; E95-R99 IonicContact OE2-NH1 2.69Å; E95-R99 PolarHBondContact OE2-NH1 3.48Å; E95-R99 IonicContact OE2-NH2 3.13Å; E95-R99 PolarHBondContact OE2-NH2 2.8Å; L96-R99 PolarHBondContact O-N 3.39Å; L97-R99 PolarHBondContact O-N 2.64Å
100M97.7Very high97.3Very high8 Ų846.6 Ų46.64%0.03924%0.244CC..SBendtrans-85.5133.2-178.4-62.1175.3-175.400111.7L59 T68 A71 L96 L97 I98 R106 F109L59-M100 HydrophobicContact CD1-CE 4.12Å; L59-M100 HydrophobicContact CD1-CG 4.02Å; L59-M100 HydrophobicContact CD2-CG 3.96Å; T68-M100 HydrophobicContact CG2-CE 3.89Å; T68-M100 HydrophobicContact CG2-SD 3.92Å; A71-M100 HydrophobicContact CB-CE 3.38Å; L96-M100 HydrophobicContact CB-CE 4.48Å; L96-M100 WeakPolarHBondContact O-CG 3.23Å; L97-M100 WeakPolarHBondContact O-CB 3.35Å; L97-M100 PolarHBondContact O-N 3.15Å; I98-M100 VanDerWaalsContact C-N 3.28Å; M100-R106 HydrophobicContact CB-CB 4.04Å; M100-R106 HydrophobicContact CB-CG 3.85Å; M100-R106 HydrophobicContact SD-CB 4.33Å; M100-R106 HydrophobicContact SD-CG 4.05Å; M100-F109 HydrophobicContact CE-CB 4.04Å; M100-F109 HydrophobicContact CE-CD1 3.84Å; M100-F109 HydrophobicContact CE-CD2 3.67Å; M100-F109 HydrophobicContact CE-CE1 4.18Å; M100-F109 HydrophobicContact CE-CE2 4.02Å; M100-F109 HydrophobicContact CE-CG 3.57Å; M100-F109 HydrophobicContact CE-CZ 4.25Å; M100-F109 HydrophobicContact SD-CB 3.81Å; M100-F109 HydrophobicContact SD-CD1 3.81Å; M100-F109 HydrophobicContact SD-CD2 4.49Å; M100-F109 HydrophobicContact SD-CG 3.79Å
101C94.5Very high97.3Very high61 Ų6150.5 Ų50.541%0.41226%0.261SS..PPolyproline II helixtrans-63.4142.5167.8-172.80000111.2W64 G103W64-C101 HydrophobicContact CD2-CB 3.93Å; W64-C101 HydrophobicContact CE3-CB 4.26Å; W64-C101 HydrophobicContact CG-CB 4.38Å; W64-C101 HydrophobicContact CH2-CB 4.43Å; W64-C101 HydrophobicContact CZ2-CB 4.09Å; C101-G103 PolarHBondContact O-N 2.9Å
102P95.8Very high97.3Very high74 Ų7448.4 Ų48.448%0.48125%0.247SC..SBendtrans-52.6124.1167.1-23.630.9000112.5R106 E138P102-R106 VanDerWaalsContact CA-CZ 3.43Å; P102-E138 HydrophobicContact CG-CG 4.45Å
103G94.5Very high97.4Very high38 Ų3845.5 Ų45.539%0.39223%0.234SC..SBendtrans166.8-176.1-179.800000112.6C101 E105 R106 T107C101-G103 PolarHBondContact O-N 2.9Å; G103-E105 VanDerWaalsContact C-N 3.32Å; G103-E105 PolarHBondContact O-N 3.05Å; G103-R106 PolarHBondContact O-N 3.13Å; G103-T107 PolarHBondContact O-N 3.35Å; G103-T107 PolarHBondContact O-OG1 3.41Å
104E94.9Very high97.4Very high134 Ų13446.8 Ų46.863%0.62624%0.241SC*.Hα-helixtrans-57.2-43-177.1-166.3-16013800112.6R106 T107 R108E104-R106 VanDerWaalsContact C-N 3.35Å; E104-R106 PolarHBondContact O-N 3.3Å; E104-T107 WeakPolarHBondContact O-CB 3.33Å; E104-T107 PolarHBondContact O-N 3.21Å; E104-T107 VanDerWaalsContact O-N 3.12Å; E104-R108 PolarHBondContact O-N 3.27Å; E104-R108 IonicContact OE1-NH2 3.39Å; E104-R108 PolarHBondContact OE1-NH2 3.04Å
105E95.3Very high97.3Very high36 Ų3652.8 Ų52.817%0.16827%0.268CS..Hα-helixtrans-59.1-46.3179.9-64.2-55.6137.900111.6E65 T68 G103 T107 R108 F109E65-E105 HydrophobicContact CB-CG 4.45Å; T68-E105 HydrophobicContact CG2-CB 4.01Å; T68-E105 VanDerWaalsContact CG2-O 3.22Å; T68-E105 WeakPolarHBondContact CG2-O 3.37Å; G103-E105 VanDerWaalsContact C-N 3.32Å; G103-E105 PolarHBondContact O-N 3.05Å; E105-T107 VanDerWaalsContact C-N 3.35Å; E105-T107 PolarHBondContact O-N 2.95Å; E105-R108 WeakPolarHBondContact O-CB 3.41Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 IonicContact OE1-CZ 2.99Å; E105-R108 IonicContact OE1-NH1 2.83Å; E105-R108 PolarHBondContact OE1-NH1 3.18Å; E105-R108 IonicContact OE1-NH2 3.66Å; E105-R108 PolarHBondContact OE1-NH2 3.07Å; E105-R108 IonicContact OE2-CZ 3.55Å; E105-R108 IonicContact OE2-NH1 3.03Å; E105-R108 PolarHBondContact OE2-NH1 3.16Å; E105-R108 IonicContact OE2-NH2 2.74Å; E105-F109 PolarHBondContact O-N 2.92Å
106R97.7Very high97.3Very high20 Ų2050 Ų508%0.07526%0.255CS..Hα-helixtrans-65.1-40.1176-170.8178.871.9174.46111.8L97 M100 P102 G103 E104 R108 F109 V110 E138L97-R106 HydrophobicContact CD1-CG 3.74Å; M100-R106 HydrophobicContact CB-CB 4.04Å; M100-R106 HydrophobicContact CB-CG 3.85Å; M100-R106 HydrophobicContact SD-CB 4.33Å; M100-R106 HydrophobicContact SD-CG 4.05Å; P102-R106 VanDerWaalsContact CA-CZ 3.43Å; G103-R106 PolarHBondContact O-N 3.13Å; E104-R106 VanDerWaalsContact C-N 3.35Å; E104-R106 PolarHBondContact O-N 3.3Å; R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 3.11Å; R106-F109 PolarHBondContact O-N 3.28Å; R106-V110 HydrophobicContact CG-CG2 4.37Å; R106-V110 WeakPolarHBondContact O-CG2 2.96Å; R106-V110 PolarHBondContact O-N 3.13Å; R106-E138 IonicContact CZ-OE1 2.69Å; R106-E138 IonicContact CZ-OE2 3.62Å; R106-E138 VanDerWaalsContact NH1-CD 3.25Å; R106-E138 IonicContact NH1-OE1 3.99Å; R106-E138 PolarHBondContact NH1-OE1 2.9Å; R106-E138 IonicContact NH1-OE2 2.64Å; R106-E138 PolarHBondContact NH1-OE2 3.47Å; R106-E138 VanDerWaalsContact NH1-OE2 3.13Å; R106-E138 IonicContact NH2-OE1 2.62Å; R106-E138 IonicContact NH2-OE2 3.75Å; R106-E138 PolarHBondContact NH2-OE2 2.96Å
107T97.6Very high97.2Very high71 Ų7150 Ų5044%0.43626%0.255SS..Hα-helixtrans-57.3-43.7174.8-63.30000110.7G103 E104 E105 F109 V110 H111G103-T107 PolarHBondContact O-N 3.35Å; G103-T107 PolarHBondContact O-OG1 3.41Å; E104-T107 WeakPolarHBondContact O-CB 3.33Å; E104-T107 PolarHBondContact O-N 3.21Å; E104-T107 VanDerWaalsContact O-N 3.12Å; E105-T107 VanDerWaalsContact C-N 3.35Å; E105-T107 PolarHBondContact O-N 2.95Å; T107-F109 PolarHBondContact O-N 3.11Å; T107-V110 PolarHBondContact O-N 3.33Å; T107-H111 WeakPolarHBondContact CG2-CE1 3.5Å; T107-H111 WeakPolarHBondContact CG2-ND1 3.32Å; T107-H111 PolarHBondContact O-N 3.2Å; T107-H111 PolarHBondContact O-ND1 2.68Å
108R97.7Very high97.1Very high114 Ų11455.7 Ų55.743%0.4328%0.282SS..Hα-helixtrans-60.6-44.9175.6-166.3-175.4-58145.18.5112E104 E105 R106 K112E104-R108 PolarHBondContact O-N 3.27Å; E104-R108 IonicContact OE1-NH2 3.39Å; E104-R108 PolarHBondContact OE1-NH2 3.04Å; E105-R108 WeakPolarHBondContact O-CB 3.41Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 IonicContact OE1-CZ 2.99Å; E105-R108 IonicContact OE1-NH1 2.83Å; E105-R108 PolarHBondContact OE1-NH1 3.18Å; E105-R108 IonicContact OE1-NH2 3.66Å; E105-R108 PolarHBondContact OE1-NH2 3.07Å; E105-R108 IonicContact OE2-CZ 3.55Å; E105-R108 IonicContact OE2-NH1 3.03Å; E105-R108 PolarHBondContact OE2-NH1 3.16Å; E105-R108 IonicContact OE2-NH2 2.74Å; R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 3.11Å; R108-K112 PolarHBondContact O-N 3.44Å; R108-K112 VanDerWaalsContact O-N 3.16Å
109F98.7Very high96.9Very high0 Ų061.5 Ų61.50%031%0.305CS..Hα-helixtrans-62-45.8175.9178.9-97.3000112.3T68 A71 L75 I93 L96 L97 M100 E105 R106 T107 H111 K112 A113T68-F109 HydrophobicContact CG2-CB 3.9Å; A71-F109 HydrophobicContact CB-CD2 3.71Å; A71-F109 HydrophobicContact CB-CE2 3.57Å; A71-F109 HydrophobicContact CB-CZ 4.5Å; L75-F109 HydrophobicContact CD1-CD2 3.73Å; L75-F109 HydrophobicContact CD1-CE2 3.54Å; L75-F109 HydrophobicContact CD1-CG 4.47Å; L75-F109 HydrophobicContact CD1-CZ 4.15Å; L75-F109 HydrophobicContact CD2-CE2 4.17Å; L75-F109 HydrophobicContact CD2-CZ 4.34Å; L75-F109 HydrophobicContact CG-CD2 4.39Å; L75-F109 HydrophobicContact CG-CE2 3.81Å; L75-F109 HydrophobicContact CG-CZ 4.44Å; I93-F109 HydrophobicContact CG2-CE1 4.17Å; I93-F109 HydrophobicContact CG2-CZ 3.96Å; L96-F109 HydrophobicContact CB-CZ 4.09Å; L97-F109 HydrophobicContact CB-CD1 4.49Å; L97-F109 HydrophobicContact CB-CE1 3.98Å; L97-F109 HydrophobicContact CD1-CD1 3.94Å; L97-F109 HydrophobicContact CD1-CE1 4.24Å; M100-F109 HydrophobicContact CE-CB 4.04Å; M100-F109 HydrophobicContact CE-CD1 3.84Å; M100-F109 HydrophobicContact CE-CD2 3.67Å; M100-F109 HydrophobicContact CE-CE1 4.18Å; M100-F109 HydrophobicContact CE-CE2 4.02Å; M100-F109 HydrophobicContact CE-CG 3.57Å; M100-F109 HydrophobicContact CE-CZ 4.25Å; M100-F109 HydrophobicContact SD-CB 3.81Å; M100-F109 HydrophobicContact SD-CD1 3.81Å; M100-F109 HydrophobicContact SD-CD2 4.49Å; M100-F109 HydrophobicContact SD-CG 3.79Å; E105-F109 PolarHBondContact O-N 2.92Å; R106-F109 PolarHBondContact O-N 3.28Å; T107-F109 PolarHBondContact O-N 3.11Å; F109-H111 PolarHBondContact O-N 2.93Å; F109-K112 PolarHBondContact O-N 2.84Å; F109-A113 WeakPolarHBondContact O-CB 3.21Å; F109-A113 PolarHBondContact O-N 2.95Å
110V98.6Very high96.8Very high14 Ų1460.7 Ų60.79%0.08530%0.304CS..Hα-helixtrans-59.4-47.6178.1167.80000111.2L97 R106 T107 K112 A113 L114 L131L97-V110 HydrophobicContact CD1-CG2 3.53Å; R106-V110 HydrophobicContact CG-CG2 4.37Å; R106-V110 WeakPolarHBondContact O-CG2 2.96Å; R106-V110 PolarHBondContact O-N 3.13Å; T107-V110 PolarHBondContact O-N 3.33Å; V110-K112 VanDerWaalsContact C-N 3.27Å; V110-K112 PolarHBondContact O-N 3.48Å; V110-A113 PolarHBondContact O-N 2.85Å; V110-L114 HydrophobicContact CG1-CD1 3.77Å; V110-L114 HydrophobicContact CG1-CG 4.29Å; V110-L114 WeakPolarHBondContact O-CB 3.49Å; V110-L114 VanDerWaalsContact O-CG 3.23Å; V110-L114 WeakPolarHBondContact O-CG 2.88Å; V110-L114 PolarHBondContact O-N 2.76Å; V110-L131 HydrophobicContact CG1-CD2 3.64Å; V110-L131 HydrophobicContact CG2-CD1 4.22Å
111H98.3Very high96.7Very high85 Ų8568.3 Ų68.339%0.39434%0.337SS..Hα-helixtrans-57.1-43177-77.398.2000111.9T107 F109 L114 H115T107-H111 WeakPolarHBondContact CG2-CE1 3.5Å; T107-H111 WeakPolarHBondContact CG2-ND1 3.32Å; T107-H111 PolarHBondContact O-N 3.2Å; T107-H111 PolarHBondContact O-ND1 2.68Å; F109-H111 PolarHBondContact O-N 2.93Å; H111-L114 PolarHBondContact O-N 2.99Å; H111-H115 PolarHBondContact O-N 3.15Å
112K98.3Very high96.7Very high55 Ų5572 Ų7224%0.23935%0.352CS..Hα-helixtrans-68.7-40.3179-163.5175.2-170.3-179.90112.7C72 L75 D76 R108 F109 V110 H115 L116C72-K112 HydrophobicContact CB-CD 4.1Å; C72-K112 WeakPolarHBondContact O-CE 3.41Å; C72-K112 PolarHBondContact O-NZ 2.71Å; L75-K112 HydrophobicContact CB-CD 4.15Å; L75-K112 HydrophobicContact CB-CG 4.2Å; L75-K112 HydrophobicContact CD1-CB 3.81Å; L75-K112 HydrophobicContact CD1-CD 4.08Å; L75-K112 HydrophobicContact CD1-CG 3.86Å; D76-K112 WeakPolarHBondContact OD1-CE 3.45Å; D76-K112 IonicContact OD1-NZ 2.62Å; D76-K112 PolarHBondContact OD1-NZ 2.77Å; D76-K112 IonicContact OD2-NZ 2.94Å; D76-K112 PolarHBondContact OD2-NZ 3.11Å; R108-K112 PolarHBondContact O-N 3.44Å; R108-K112 VanDerWaalsContact O-N 3.16Å; F109-K112 PolarHBondContact O-N 2.84Å; V110-K112 VanDerWaalsContact C-N 3.27Å; V110-K112 PolarHBondContact O-N 3.48Å; K112-H115 PolarHBondContact O-N 2.99Å; K112-L116 WeakPolarHBondContact O-CB 3.42Å; K112-L116 PolarHBondContact O-N 3.34Å
113A98.5Very high96.8Very high0 Ų069.1 Ų69.10%033%0.333CS..Hα-helixtrans-63.6-43.6175.700000111.2L75 I93 F109 V110 H115 L116 L117 F127L75-A113 HydrophobicContact CD1-CB 4Å; I93-A113 HydrophobicContact CG2-CB 4.16Å; F109-A113 WeakPolarHBondContact O-CB 3.21Å; F109-A113 PolarHBondContact O-N 2.95Å; V110-A113 PolarHBondContact O-N 2.85Å; A113-H115 VanDerWaalsContact C-N 3.34Å; A113-H115 PolarHBondContact O-N 3.35Å; A113-L116 PolarHBondContact O-N 2.88Å; A113-L117 WeakPolarHBondContact O-CB 3.35Å; A113-L117 VanDerWaalsContact O-CG 3.29Å; A113-L117 WeakPolarHBondContact O-CG 3.43Å; A113-L117 PolarHBondContact O-N 3.32Å; A113-F127 HydrophobicContact CB-CE1 4.04Å; A113-F127 HydrophobicContact CB-CE2 4.48Å; A113-F127 HydrophobicContact CB-CZ 3.8Å
114L98.2Very high97Very high28 Ų2869 Ų6915%0.14732%0.323CS..Hα-helixtrans-61-42.3175-69.4167.2000111.8V110 H111 L117 Q118 L124 F127V110-L114 HydrophobicContact CG1-CD1 3.77Å; V110-L114 HydrophobicContact CG1-CG 4.29Å; V110-L114 WeakPolarHBondContact O-CB 3.49Å; V110-L114 VanDerWaalsContact O-CG 3.23Å; V110-L114 WeakPolarHBondContact O-CG 2.88Å; V110-L114 PolarHBondContact O-N 2.76Å; H111-L114 PolarHBondContact O-N 2.99Å; L114-L117 PolarHBondContact O-N 3.48Å; L114-Q118 PolarHBondContact O-N 3.16Å; L114-Q118 VanDerWaalsContact O-N 3.08Å; L114-L124 HydrophobicContact CD2-CD1 3.72Å; L114-F127 HydrophobicContact CD2-CD1 3.91Å; L114-F127 HydrophobicContact CD2-CE1 4Å; L114-F127 HydrophobicContact CG-CE1 4.19Å
115H97.3Very high97.1Very high133 Ų13363.5 Ų63.562%0.61630%0.301SS*.Hα-helixtrans-64.2-45.1176.4-174.269000112H111 K112 A113 L117 Q118H111-H115 PolarHBondContact O-N 3.15Å; K112-H115 PolarHBondContact O-N 2.99Å; A113-H115 VanDerWaalsContact C-N 3.34Å; A113-H115 PolarHBondContact O-N 3.35Å; H115-L117 VanDerWaalsContact C-N 3.32Å; H115-L117 PolarHBondContact O-N 3.36Å; H115-Q118 VanDerWaalsContact O-CB 3.31Å; H115-Q118 WeakPolarHBondContact O-CB 3.32Å; H115-Q118 PolarHBondContact O-N 2.95Å
116L97.4Very high97.3Very high30 Ų3065.9 Ų65.916%0.15732%0.317CS..Hα-helixtrans-58.3-44.3176.9177.666.6000111.5L75 Y78 L85 I93 K112 A113 Q118L75-L116 HydrophobicContact CB-CD2 4.15Å; L75-L116 HydrophobicContact CD2-CD2 3.71Å; L75-L116 HydrophobicContact CG-CD2 4.49Å; Y78-L116 HydrophobicContact CD2-CD2 4.34Å; L85-L116 HydrophobicContact CD1-CD1 4.29Å; L85-L116 HydrophobicContact CD1-CD2 3.82Å; L85-L116 HydrophobicContact CD1-CG 3.76Å; I93-L116 HydrophobicContact CD1-CD2 4.16Å; K112-L116 WeakPolarHBondContact O-CB 3.42Å; K112-L116 PolarHBondContact O-N 3.34Å; A113-L116 PolarHBondContact O-N 2.88Å; L116-Q118 VanDerWaalsContact C-N 3.33Å; L116-Q118 PolarHBondContact O-N 3.25Å
117L97.5Very high97.3Very high1 Ų164.9 Ų64.91%0.00531%0.314CS..Hα-helixtrans-81.3-8.4-176.9-65.3169.9000113.7L85 L90 A113 L114 H115 K119 Q120 L123 L124 F127L85-L117 HydrophobicContact CD1-CD2 3.72Å; L90-L117 HydrophobicContact CD1-CD1 3.92Å; L90-L117 HydrophobicContact CD1-CD2 4.47Å; A113-L117 WeakPolarHBondContact O-CB 3.35Å; A113-L117 VanDerWaalsContact O-CG 3.29Å; A113-L117 WeakPolarHBondContact O-CG 3.43Å; A113-L117 PolarHBondContact O-N 3.32Å; L114-L117 PolarHBondContact O-N 3.48Å; H115-L117 VanDerWaalsContact C-N 3.32Å; H115-L117 PolarHBondContact O-N 3.36Å; L117-K119 PolarHBondContact O-N 2.84Å; L117-Q120 CarbonylContact O-C 3.33Å; L117-Q120 PolarHBondContact O-N 3.06Å; L117-L123 HydrophobicContact CD2-CB 3.96Å; L117-L123 HydrophobicContact CD2-CD1 4.46Å; L117-L124 HydrophobicContact CB-CB 4.1Å; L117-L124 HydrophobicContact CB-CD1 4.01Å; L117-F127 HydrophobicContact CD1-CB 3.63Å; L117-F127 HydrophobicContact CD1-CD1 3.94Å; L117-F127 HydrophobicContact CD1-CD2 4.2Å; L117-F127 HydrophobicContact CD1-CG 3.65Å
118Q95.7Very high97.4Very high122 Ų12261.8 Ų61.857%0.5729%0.294SS*.THydrogen-bonded Turntrans-53.5-33.8-172-169.1-178.530.700113.9L114 H115 L116L114-Q118 PolarHBondContact O-N 3.16Å; L114-Q118 VanDerWaalsContact O-N 3.08Å; H115-Q118 VanDerWaalsContact O-CB 3.31Å; H115-Q118 WeakPolarHBondContact O-CB 3.32Å; H115-Q118 PolarHBondContact O-N 2.95Å; L116-Q118 VanDerWaalsContact C-N 3.33Å; L116-Q118 PolarHBondContact O-N 3.25Å
119K92.5Very high97.4Very high198 Ų19856.9 Ų56.986%0.86128%0.279SS*.THydrogen-bonded Turntrans-82.6-19-179.7-64-177.9-176.91740113.5L117L117-K119 PolarHBondContact O-N 2.84Å
120Q95.9Very high97.4Very high53 Ų5359.2 Ų59.225%0.24829%0.288CS..  trans-109.479.4-179-66.6-172.9-103.300109.7L85 L117 D122 L123 L124L85-Q120 VanDerWaalsContact CB-OE1 3.24Å; L85-Q120 VanDerWaalsContact N-OE1 3.07Å; L85-Q120 PolarHBondContact O-NE2 3.18Å; L117-Q120 CarbonylContact O-C 3.33Å; L117-Q120 PolarHBondContact O-N 3.06Å; Q120-D122 VanDerWaalsContact C-N 3.26Å; Q120-D122 PolarHBondContact O-N 3.46Å; Q120-D122 VanDerWaalsContact O-N 3.17Å; Q120-L123 HydrophobicContact CB-CB 4.33Å; Q120-L123 HydrophobicContact CB-CD1 4.29Å; Q120-L123 HydrophobicContact CB-CG 4.48Å; Q120-L123 PolarHBondContact O-N 3.34Å; Q120-L123 VanDerWaalsContact O-N 3.15Å; Q120-L124 PolarHBondContact O-N 3.02Å
121K95.2Very high97.4Very high167 Ų16758.7 Ų58.773%0.72629%0.285SS*.Hα-helixtrans-54.3-38.1-171.1-67.3-175.4178.91800114.1L124 A125K121-L124 PolarHBondContact O-N 3.1Å; K121-A125 WeakPolarHBondContact O-CB 3.34Å; K121-A125 PolarHBondContact O-N 3.04Å
122D96Very high97.4Very high138 Ų13854.7 Ų54.774%0.73827%0.267SS*.Hα-helixtrans-67.4-45.6-178.7-56.3-34.9000111.1Q120 A125 V126Q120-D122 VanDerWaalsContact C-N 3.26Å; Q120-D122 PolarHBondContact O-N 3.46Å; Q120-D122 VanDerWaalsContact O-N 3.17Å; D122-A125 WeakPolarHBondContact O-CB 3.49Å; D122-A125 PolarHBondContact O-N 3.3Å; D122-V126 WeakPolarHBondContact O-CG2 3.39Å; D122-V126 PolarHBondContact O-N 3.35Å; D122-V126 VanDerWaalsContact O-N 3.11Å
123L97.9Very high97.3Very high15 Ų1556.7 Ų56.78%0.07927%0.273CS..Hα-helixtrans-66.9-38174.6-63.7-178.8000112.1L85 E87 L90 L117 Q120 A125 V126 F127L85-L123 HydrophobicContact CB-CD1 3.69Å; L85-L123 WeakPolarHBondContact O-CD1 3.4Å; E87-L123 HydrophobicContact CG-CD2 4.09Å; L90-L123 HydrophobicContact CB-CD2 4.46Å; L90-L123 HydrophobicContact CD2-CB 4.3Å; L90-L123 HydrophobicContact CD2-CD2 4.07Å; L117-L123 HydrophobicContact CD2-CB 3.96Å; L117-L123 HydrophobicContact CD2-CD1 4.46Å; Q120-L123 HydrophobicContact CB-CB 4.33Å; Q120-L123 HydrophobicContact CB-CD1 4.29Å; Q120-L123 HydrophobicContact CB-CG 4.48Å; Q120-L123 PolarHBondContact O-N 3.34Å; Q120-L123 VanDerWaalsContact O-N 3.15Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 3.01Å; L123-V126 PolarHBondContact O-N 3.39Å; L123-F127 WeakPolarHBondContact O-CB 3.18Å; L123-F127 PolarHBondContact O-N 2.84Å
124L98.1Very high97.3Very high35 Ų3557 Ų5718%0.18328%0.275CS..Hα-helixtrans-61.9-39.4174.8179.263.1000111.8L114 L117 Q120 K121 F127 N128L114-L124 HydrophobicContact CD2-CD1 3.72Å; L117-L124 HydrophobicContact CB-CB 4.1Å; L117-L124 HydrophobicContact CB-CD1 4.01Å; Q120-L124 PolarHBondContact O-N 3.02Å; K121-L124 PolarHBondContact O-N 3.1Å; L124-F127 PolarHBondContact O-N 3.28Å; L124-N128 WeakPolarHBondContact CD1-ND2 3.44Å; L124-N128 WeakPolarHBondContact O-CB 3.45Å; L124-N128 PolarHBondContact O-N 3.24Å; L124-N128 PolarHBondContact O-ND2 2.71Å
125A97.6Very high97.3Very high19 Ų1956.3 Ų56.316%0.15727%0.271CS..Hα-helixtrans-62.6-47.117600000111K121 D122 L123 N128 G129 S151K121-A125 WeakPolarHBondContact O-CB 3.34Å; K121-A125 PolarHBondContact O-N 3.04Å; D122-A125 WeakPolarHBondContact O-CB 3.49Å; D122-A125 PolarHBondContact O-N 3.3Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 3.01Å; A125-N128 PolarHBondContact O-N 3.41Å; A125-G129 PolarHBondContact O-N 3.07Å; A125-S151 WeakPolarHBondContact CB-O 3.42Å; A125-S151 WeakPolarHBondContact O-CA 3.43Å; A125-S151 WeakPolarHBondContact O-CB 3.46Å
126V98Very high97.2Very high85 Ų8551.4 Ų51.452%0.51525%0.247SC..Hα-helixtrans-60.9-45.9175.51770000111.3L90 D122 L123 N128 G129 Y130L90-V126 HydrophobicContact CD2-CB 3.76Å; L90-V126 HydrophobicContact CD2-CG1 3.58Å; D122-V126 WeakPolarHBondContact O-CG2 3.39Å; D122-V126 PolarHBondContact O-N 3.35Å; D122-V126 VanDerWaalsContact O-N 3.11Å; L123-V126 PolarHBondContact O-N 3.39Å; V126-N128 PolarHBondContact O-N 2.96Å; V126-G129 PolarHBondContact O-N 3.48Å; V126-G129 VanDerWaalsContact O-N 3.12Å; V126-Y130 PolarHBondContact O-N 3.39Å
127F98.5Very high97.1Very high0 Ų056.8 Ų56.80%027%0.272CS..Hα-helixtrans-60.5-43.8177.8-174.4-110000112.5L90 I93 L97 A113 L114 L117 L123 L124 G129 Y130 L131L90-F127 HydrophobicContact CD1-CB 3.86Å; L90-F127 HydrophobicContact CD1-CD2 3.78Å; L90-F127 HydrophobicContact CD1-CG 4.19Å; I93-F127 HydrophobicContact CG2-CE2 3.99Å; L97-F127 HydrophobicContact CD2-CE2 4.07Å; L97-F127 HydrophobicContact CD2-CZ 4.11Å; A113-F127 HydrophobicContact CB-CE1 4.04Å; A113-F127 HydrophobicContact CB-CE2 4.48Å; A113-F127 HydrophobicContact CB-CZ 3.8Å; L114-F127 HydrophobicContact CD2-CD1 3.91Å; L114-F127 HydrophobicContact CD2-CE1 4Å; L114-F127 HydrophobicContact CG-CE1 4.19Å; L117-F127 HydrophobicContact CD1-CB 3.63Å; L117-F127 HydrophobicContact CD1-CD1 3.94Å; L117-F127 HydrophobicContact CD1-CD2 4.2Å; L117-F127 HydrophobicContact CD1-CG 3.65Å; L123-F127 WeakPolarHBondContact O-CB 3.18Å; L123-F127 PolarHBondContact O-N 2.84Å; L124-F127 PolarHBondContact O-N 3.28Å; F127-G129 VanDerWaalsContact C-N 3.29Å; F127-G129 PolarHBondContact O-N 2.91Å; F127-Y130 PolarHBondContact O-N 3.5Å; F127-L131 HydrophobicContact CE1-CD2 4.25Å; F127-L131 WeakPolarHBondContact O-CB 3.28Å; F127-L131 PolarHBondContact O-N 3.42Å
128N98.4Very high97Very high5 Ų560.3 Ų60.33%0.02729%0.288CS..Hα-helixtrans-62.2-37.9175.5-81.3-67.6000111.6L124 A125 V126 A132 R147 L150L124-N128 WeakPolarHBondContact CD1-ND2 3.44Å; L124-N128 WeakPolarHBondContact O-CB 3.45Å; L124-N128 PolarHBondContact O-N 3.24Å; L124-N128 PolarHBondContact O-ND2 2.71Å; A125-N128 PolarHBondContact O-N 3.41Å; V126-N128 PolarHBondContact O-N 2.96Å; N128-A132 VanDerWaalsContact O-CB 3.25Å; N128-A132 WeakPolarHBondContact O-CB 3.34Å; N128-A132 PolarHBondContact O-N 3.42Å; N128-R147 VanDerWaalsContact OD1-CD 3.23Å; N128-R147 WeakPolarHBondContact OD1-CD 3.21Å; N128-R147 PolarHBondContact OD1-NH1 3.23Å; N128-L150 HydrophobicContact CB-CB 4.17Å
129G98.2Very high97Very high12 Ų1256 Ų5612%0.12428%0.277CS..Hα-helixtrans-64.5-41.5173.900000112.9A125 V126 F127 R133A125-G129 PolarHBondContact O-N 3.07Å; V126-G129 PolarHBondContact O-N 3.48Å; V126-G129 VanDerWaalsContact O-N 3.12Å; F127-G129 VanDerWaalsContact C-N 3.29Å; F127-G129 PolarHBondContact O-N 2.91Å; G129-R133 PolarHBondContact O-N 2.83Å
130Y98.4Very high97.1Very high48 Ų4849 Ų4919%0.18825%0.253CS..Hα-helixtrans-62.3-54.3173.4-177.1-88.4000111.6C94 L97 I98 V126 F127 A132 R133 V134C94-Y130 HydrophobicContact CB-CD1 4.01Å; C94-Y130 HydrophobicContact CB-CD2 4.22Å; C94-Y130 HydrophobicContact CB-CE1 3.73Å; C94-Y130 HydrophobicContact CB-CE2 3.95Å; C94-Y130 HydrophobicContact CB-CG 4.25Å; C94-Y130 PolarHBondContact O-OH 2.91Å; L97-Y130 HydrophobicContact CD2-CD1 4.13Å; L97-Y130 HydrophobicContact CD2-CE1 4.02Å; I98-Y130 WeakPolarHBondContact CB-OH 3.46Å; V126-Y130 PolarHBondContact O-N 3.39Å; F127-Y130 PolarHBondContact O-N 3.5Å; Y130-A132 VanDerWaalsContact C-N 3.27Å; Y130-A132 PolarHBondContact O-N 2.71Å; Y130-R133 WeakPolarHBondContact O-CB 3.42Å; Y130-R133 PolarHBondContact O-N 3.22Å; Y130-V134 HydrophobicContact CD1-CG2 3.99Å; Y130-V134 HydrophobicContact CE1-CG2 3.56Å; Y130-V134 PolarHBondContact O-N 2.88Å; Y130-V134 VanDerWaalsContact O-N 3.13Å
131L98.5Very high97Very high4 Ų448.8 Ų48.82%0.02125%0.251CS..Hα-helixtrans-58.9-38.6-179.5178.259.7000111.8L97 V110 F127 R133 V134 L135 R147L97-L131 HydrophobicContact CD2-CD1 3.98Å; V110-L131 HydrophobicContact CG1-CD2 3.64Å; V110-L131 HydrophobicContact CG2-CD1 4.22Å; F127-L131 HydrophobicContact CE1-CD2 4.25Å; F127-L131 WeakPolarHBondContact O-CB 3.28Å; F127-L131 PolarHBondContact O-N 3.42Å; L131-R133 VanDerWaalsContact C-N 3.3Å; L131-R133 PolarHBondContact O-N 3.48Å; L131-V134 PolarHBondContact O-N 2.76Å; L131-L135 HydrophobicContact CD1-CD1 3.94Å; L131-L135 HydrophobicContact CD1-CG 4Å; L131-L135 HydrophobicContact CG-CD1 3.77Å; L131-L135 HydrophobicContact CG-CG 4.33Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 WeakPolarHBondContact O-CD1 3.36Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 2.96Å; L131-R147 HydrophobicContact CD2-CG 4.1Å; L131-R147 HydrophobicContact CG-CG 4.18Å
132A98.3Very high97Very high1 Ų146 Ų461%0.00825%0.252CS..Hα-helixtrans-58.4-40.9174.600000112.9N128 Y130 W136 A144 R147 I148N128-A132 VanDerWaalsContact O-CB 3.25Å; N128-A132 WeakPolarHBondContact O-CB 3.34Å; N128-A132 PolarHBondContact O-N 3.42Å; Y130-A132 VanDerWaalsContact C-N 3.27Å; Y130-A132 PolarHBondContact O-N 2.71Å; A132-W136 VanDerWaalsContact O-CB 3.32Å; A132-W136 WeakPolarHBondContact O-CB 3.23Å; A132-W136 PolarHBondContact O-N 3.43Å; A132-A144 WeakPolarHBondContact O-CB 3.47Å; A132-R147 HydrophobicContact CB-CB 3.69Å; A132-I148 HydrophobicContact CB-CB 3.84Å; A132-I148 HydrophobicContact CB-CD1 4.1Å
133R97Very high96.9Very high96 Ų9642.7 Ų42.736%0.36223%0.232SC..Hα-helixtrans-67.7-44.2178.6-71.5-177.7-71.9174.3-1.6111.7G129 Y130 L131 W136 Q137 F322G129-R133 PolarHBondContact O-N 2.83Å; Y130-R133 WeakPolarHBondContact O-CB 3.42Å; Y130-R133 PolarHBondContact O-N 3.22Å; L131-R133 VanDerWaalsContact C-N 3.3Å; L131-R133 PolarHBondContact O-N 3.48Å; R133-W136 WeakPolarHBondContact O-CB 3.37Å; R133-W136 PolarHBondContact O-N 3.1Å; R133-Q137 WeakPolarHBondContact O-CG 3.29Å; R133-Q137 PolarHBondContact O-N 3.49Å; R133-F322 HydrophobicContact CG-CD1 4.46Å
134V98Very high96.9Very high7 Ų742 Ų424%0.04223%0.229CC..Hα-helixtrans-57.7-51.6175175.70000110.3I98 Y130 L131 W136 Q137 E138I98-V134 HydrophobicContact CD1-CG1 4.2Å; I98-V134 HydrophobicContact CD1-CG2 3.94Å; Y130-V134 HydrophobicContact CD1-CG2 3.99Å; Y130-V134 HydrophobicContact CE1-CG2 3.56Å; Y130-V134 PolarHBondContact O-N 2.88Å; Y130-V134 VanDerWaalsContact O-N 3.13Å; L131-V134 PolarHBondContact O-N 2.76Å; V134-W136 VanDerWaalsContact C-N 3.29Å; V134-W136 PolarHBondContact O-N 3.36Å; V134-Q137 PolarHBondContact O-N 2.85Å; V134-E138 WeakPolarHBondContact CG1-OE1 3.38Å; V134-E138 WeakPolarHBondContact O-CG 3.3Å; V134-E138 PolarHBondContact O-N 3.34Å; V134-E138 VanDerWaalsContact O-N 3.11Å
135L97.8Very high96.8Very high13 Ų1342.1 Ų42.17%0.06823%0.227CC..Hα-helixtrans-63-34.2179.7-69.5166.1000113.1L131 E138 G139 S140 E143 A144 R147L131-L135 HydrophobicContact CD1-CD1 3.94Å; L131-L135 HydrophobicContact CD1-CG 4Å; L131-L135 HydrophobicContact CG-CD1 3.77Å; L131-L135 HydrophobicContact CG-CG 4.33Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 WeakPolarHBondContact O-CD1 3.36Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 2.96Å; L135-E138 PolarHBondContact O-N 2.91Å; L135-G139 PolarHBondContact O-N 3.31Å; L135-S140 WeakPolarHBondContact O-CA 3.31Å; L135-S140 PolarHBondContact O-N 3.08Å; L135-E143 HydrophobicContact CD1-CB 3.97Å; L135-E143 HydrophobicContact CD1-CG 3.42Å; L135-E143 VanDerWaalsContact CD1-CG 3.42Å; L135-E143 HydrophobicContact CD2-CG 4.33Å; L135-E143 HydrophobicContact CG-CG 4.48Å; L135-A144 HydrophobicContact CB-CB 3.85Å; L135-R147 HydrophobicContact CD1-CG 3.87Å
136W96.4Very high96.8Very high30 Ų3045.1 Ų45.111%0.11424%0.24CC..Hα-helixtrans-63.5-46.1174.9171.8-98.8000111.8A132 R133 V134 E138 G139 F141 A144 F160 A163 L164A132-W136 VanDerWaalsContact O-CB 3.32Å; A132-W136 WeakPolarHBondContact O-CB 3.23Å; A132-W136 PolarHBondContact O-N 3.43Å; R133-W136 WeakPolarHBondContact O-CB 3.37Å; R133-W136 PolarHBondContact O-N 3.1Å; V134-W136 VanDerWaalsContact C-N 3.29Å; V134-W136 PolarHBondContact O-N 3.36Å; W136-E138 PolarHBondContact O-N 3.37Å; W136-G139 PolarHBondContact O-N 3.45Å; W136-G139 VanDerWaalsContact O-N 3.12Å; W136-F141 HydrophobicContact CD2-CD1 4.36Å; W136-F141 HydrophobicContact CD2-CE1 4.36Å; W136-F141 AromaticContact CE3-CD1 3.5Å; W136-F141 HydrophobicContact CE3-CD1 3.5Å; W136-F141 VanDerWaalsContact CE3-CD1 3.5Å; W136-F141 AromaticContact CE3-CE1 3.87Å; W136-F141 HydrophobicContact CE3-CE1 3.87Å; W136-F141 HydrophobicContact CH2-CD1 4.36Å; W136-F141 HydrophobicContact CH2-CE1 4.3Å; W136-F141 AromaticContact CZ3-CD1 3.5Å; W136-F141 HydrophobicContact CZ3-CD1 3.5Å; W136-F141 VanDerWaalsContact CZ3-CD1 3.5Å; W136-F141 AromaticContact CZ3-CE1 3.84Å; W136-F141 HydrophobicContact CZ3-CE1 3.84Å; W136-A144 HydrophobicContact CB-CB 4.18Å; W136-F160 HydrophobicContact CB-CE2 4.23Å; W136-F160 HydrophobicContact CD2-CD2 4.43Å; W136-F160 AromaticContact CD2-CE2 3.99Å; W136-F160 HydrophobicContact CD2-CE2 3.99Å; W136-F160 HydrophobicContact CE3-CD2 4.13Å; W136-F160 AromaticContact CE3-CE2 3.39Å; W136-F160 HydrophobicContact CE3-CE2 3.39Å; W136-F160 AromaticContact CE3-CZ 3.86Å; W136-F160 HydrophobicContact CE3-CZ 3.86Å; W136-F160 HydrophobicContact CG-CE2 4.34Å; W136-F160 HydrophobicContact CZ3-CE2 4.09Å; W136-F160 HydrophobicContact CZ3-CZ 4.23Å; W136-A163 HydrophobicContact CH2-CB 4.29Å; W136-A163 HydrophobicContact CZ2-CB 4Å; W136-L164 HydrophobicContact CH2-CB 4.31Å; W136-L164 HydrophobicContact CH2-CD1 4.49Å; W136-L164 HydrophobicContact CZ3-CB 4.09Å; W136-L164 HydrophobicContact CZ3-CD1 3.88Å
137Q95.6Very high96.8Very high144 Ų14442.5 Ų42.567%0.67322%0.221SC*.Hα-helixtrans-61.9-33.5177.4-70.7174.4-9.900111.6R133 V134 G139R133-Q137 WeakPolarHBondContact O-CG 3.29Å; R133-Q137 PolarHBondContact O-N 3.49Å; V134-Q137 PolarHBondContact O-N 2.85Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 3.46Å
138E95.7Very high96.7Very high74 Ų7442.8 Ų42.835%0.34622%0.222SC..THydrogen-bonded Turntrans-81.8-3.9178.2-67.1169.9176.600114.4P102 R106 V134 L135 W136 S140P102-E138 HydrophobicContact CG-CG 4.45Å; R106-E138 IonicContact CZ-OE1 2.69Å; R106-E138 IonicContact CZ-OE2 3.62Å; R106-E138 VanDerWaalsContact NH1-CD 3.25Å; R106-E138 IonicContact NH1-OE1 3.99Å; R106-E138 PolarHBondContact NH1-OE1 2.9Å; R106-E138 IonicContact NH1-OE2 2.64Å; R106-E138 PolarHBondContact NH1-OE2 3.47Å; R106-E138 VanDerWaalsContact NH1-OE2 3.13Å; R106-E138 IonicContact NH2-OE1 2.62Å; R106-E138 IonicContact NH2-OE2 3.75Å; R106-E138 PolarHBondContact NH2-OE2 2.96Å; V134-E138 WeakPolarHBondContact CG1-OE1 3.38Å; V134-E138 WeakPolarHBondContact O-CG 3.3Å; V134-E138 PolarHBondContact O-N 3.34Å; V134-E138 VanDerWaalsContact O-N 3.11Å; L135-E138 PolarHBondContact O-N 2.91Å; W136-E138 PolarHBondContact O-N 3.37Å; E138-S140 VanDerWaalsContact C-N 3.33Å; E138-S140 PolarHBondContact O-N 2.91Å
139G94.5Very high96.6Very high32 Ų3243.2 Ų43.233%0.3322%0.224SC..THydrogen-bonded Turntrans808.7-178.600000115.2L135 W136 Q137 F141L135-G139 PolarHBondContact O-N 3.31Å; W136-G139 PolarHBondContact O-N 3.45Å; W136-G139 VanDerWaalsContact O-N 3.12Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 3.46Å; G139-F141 VanDerWaalsContact CA-CZ 3.5Å; G139-F141 WeakPolarHBondContact O-CD2 3.25Å; G139-F141 VanDerWaalsContact O-CE2 3.31Å; G139-F141 WeakPolarHBondContact O-CE2 3.23Å; G139-F141 PolarHBondContact O-N 3.33Å
140S95.6Very high96.5Very high51 Ų5145.2 Ų45.236%0.35723%0.232SC..  trans-80.561.5176.1-67.30000111.6L135 E138 S142 E143 A144L135-S140 WeakPolarHBondContact O-CA 3.31Å; L135-S140 PolarHBondContact O-N 3.08Å; E138-S140 VanDerWaalsContact C-N 3.33Å; E138-S140 PolarHBondContact O-N 2.91Å; S140-S142 PolarHBondContact O-N 3.33Å; S140-E143 PolarHBondContact O-N 3.24Å; S140-A144 WeakPolarHBondContact O-CB 3.41Å; S140-A144 PolarHBondContact O-N 2.91Å
141F94Very high96.5Very high48 Ų4843.3 Ų43.321%0.21123%0.225CC..Hα-helixtrans-62.3-39.3-166.5-53.9-57.1000115.2W136 G139 A144 R145 L164 Y168W136-F141 HydrophobicContact CD2-CD1 4.36Å; W136-F141 HydrophobicContact CD2-CE1 4.36Å; W136-F141 AromaticContact CE3-CD1 3.5Å; W136-F141 HydrophobicContact CE3-CD1 3.5Å; W136-F141 VanDerWaalsContact CE3-CD1 3.5Å; W136-F141 AromaticContact CE3-CE1 3.87Å; W136-F141 HydrophobicContact CE3-CE1 3.87Å; W136-F141 HydrophobicContact CH2-CD1 4.36Å; W136-F141 HydrophobicContact CH2-CE1 4.3Å; W136-F141 AromaticContact CZ3-CD1 3.5Å; W136-F141 HydrophobicContact CZ3-CD1 3.5Å; W136-F141 VanDerWaalsContact CZ3-CD1 3.5Å; W136-F141 AromaticContact CZ3-CE1 3.84Å; W136-F141 HydrophobicContact CZ3-CE1 3.84Å; G139-F141 VanDerWaalsContact CA-CZ 3.5Å; G139-F141 WeakPolarHBondContact O-CD2 3.25Å; G139-F141 VanDerWaalsContact O-CE2 3.31Å; G139-F141 WeakPolarHBondContact O-CE2 3.23Å; G139-F141 PolarHBondContact O-N 3.33Å; F141-A144 PolarHBondContact O-N 3.41Å; F141-R145 WeakPolarHBondContact O-CB 3.37Å; F141-R145 PolarHBondContact O-N 2.75Å; F141-L164 HydrophobicContact CB-CD1 4.4Å; F141-Y168 HydrophobicContact CD1-CE2 4.25Å; F141-Y168 HydrophobicContact CD2-CE2 4.08Å; F141-Y168 AromaticContact CE1-CE2 3.86Å; F141-Y168 HydrophobicContact CE1-CE2 3.86Å; F141-Y168 HydrophobicContact CE2-CE1 4.41Å; F141-Y168 AromaticContact CE2-CE2 3.68Å; F141-Y168 HydrophobicContact CE2-CE2 3.68Å; F141-Y168 AromaticContact CE2-CZ 3.52Å; F141-Y168 VanDerWaalsContact CE2-OH 3.23Å; F141-Y168 WeakPolarHBondContact CE2-OH 3.44Å; F141-Y168 HydrophobicContact CG-CE2 4.35Å; F141-Y168 AromaticContact CZ-CE2 3.57Å; F141-Y168 HydrophobicContact CZ-CE2 3.57Å; F141-Y168 AromaticContact CZ-CZ 3.54Å; F141-Y168 WeakPolarHBondContact CZ-OH 3.48Å
142S93.5Very high96.2Very high108 Ų10845.2 Ų45.276%0.75524%0.239SC*.Hα-helixtrans-63.7-45.2-179.9-590000111.2S140 R145 L146S140-S142 PolarHBondContact O-N 3.33Å; S142-R145 PolarHBondContact O-N 2.89Å; S142-L146 PolarHBondContact O-N 3Å; S142-L146 VanDerWaalsContact O-N 3.11Å
143E95.8Very high96.1Very high69 Ų6948.7 Ų48.732%0.32226%0.258SS..Hα-helixtrans-70.8-40.9176.8-170.363.9-163.500110.7L135 S140 R145 L146 R147L135-E143 HydrophobicContact CD1-CB 3.97Å; L135-E143 HydrophobicContact CD1-CG 3.42Å; L135-E143 VanDerWaalsContact CD1-CG 3.42Å; L135-E143 HydrophobicContact CD2-CG 4.33Å; L135-E143 HydrophobicContact CG-CG 4.48Å; S140-E143 PolarHBondContact O-N 3.24Å; E143-R145 VanDerWaalsContact C-N 3.28Å; E143-R145 PolarHBondContact O-N 3.1Å; E143-L146 WeakPolarHBondContact O-CB 3.45Å; E143-L146 PolarHBondContact O-N 3.04Å; E143-L146 VanDerWaalsContact O-N 3.1Å; E143-R147 HydrophobicContact CG-CG 4.33Å; E143-R147 VanDerWaalsContact O-CG 3.29Å; E143-R147 WeakPolarHBondContact O-CG 3.47Å; E143-R147 PolarHBondContact O-N 3.46Å; E143-R147 IonicContact OE1-CZ 3.16Å; E143-R147 IonicContact OE1-NE 2.75Å; E143-R147 PolarHBondContact OE1-NE 2.86Å; E143-R147 IonicContact OE1-NH2 2.77Å; E143-R147 PolarHBondContact OE1-NH2 3.32Å
144A97.5Very high96.2Very high0 Ų044.2 Ų44.20%024%0.241CC..Hα-helixtrans-57.1-42.5174.800000111.9A132 L135 W136 S140 F141 R147 I148 F160A132-A144 WeakPolarHBondContact O-CB 3.47Å; L135-A144 HydrophobicContact CB-CB 3.85Å; W136-A144 HydrophobicContact CB-CB 4.18Å; S140-A144 WeakPolarHBondContact O-CB 3.41Å; S140-A144 PolarHBondContact O-N 2.91Å; F141-A144 PolarHBondContact O-N 3.41Å; A144-R147 PolarHBondContact O-N 3.11Å; A144-I148 PolarHBondContact O-N 2.77Å; A144-F160 HydrophobicContact CB-CE2 3.8Å; A144-F160 HydrophobicContact CB-CZ 3.89Å
145R96.2Very high96.2Very high39 Ų3947.6 Ų47.615%0.14725%0.254CS..Hα-helixtrans-62-45.2174.6-178.9-177.6179.377.1-0.3111.4F141 S142 E143 R147 I148 M149 F160 F177F141-R145 WeakPolarHBondContact O-CB 3.37Å; F141-R145 PolarHBondContact O-N 2.75Å; S142-R145 PolarHBondContact O-N 2.89Å; E143-R145 VanDerWaalsContact C-N 3.28Å; E143-R145 PolarHBondContact O-N 3.1Å; R145-R147 VanDerWaalsContact C-N 3.35Å; R145-I148 WeakPolarHBondContact O-CG2 3.48Å; R145-M149 WeakPolarHBondContact O-CG 3.27Å; R145-M149 PolarHBondContact O-N 2.84Å; R145-F160 HydrophobicContact CB-CE1 3.89Å; R145-F160 HydrophobicContact CB-CZ 4.13Å; R145-F160 HydrophobicContact CG-CE1 4.32Å; R145-F177 PolarHBondContact NH2-O 3.1Å
146L96.3Very high96.2Very high81 Ų8147.8 Ų47.842%0.42426%0.257SS..Hα-helixtrans-59.6-48.2177.1176.562.4000110.9S142 E143 M149 L150S142-L146 PolarHBondContact O-N 3Å; S142-L146 VanDerWaalsContact O-N 3.11Å; E143-L146 WeakPolarHBondContact O-CB 3.45Å; E143-L146 PolarHBondContact O-N 3.04Å; E143-L146 VanDerWaalsContact O-N 3.1Å; L146-M149 PolarHBondContact O-N 3.21Å; L146-L150 HydrophobicContact CD1-CD1 4.28Å; L146-L150 HydrophobicContact CG-CD1 4.25Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.01Å; L146-L150 VanDerWaalsContact O-N 3.17Å
147R98Very high96.3Very high30 Ų3046.3 Ų46.311%0.11325%0.251CS..Hα-helixtrans-66.6-42.8-177-63.8-60.9170.4-173.7-4.7112.9N128 L131 A132 L135 E143 A144 R145 M149 L150 S151N128-R147 VanDerWaalsContact OD1-CD 3.23Å; N128-R147 WeakPolarHBondContact OD1-CD 3.21Å; N128-R147 PolarHBondContact OD1-NH1 3.23Å; L131-R147 HydrophobicContact CD2-CG 4.1Å; L131-R147 HydrophobicContact CG-CG 4.18Å; A132-R147 HydrophobicContact CB-CB 3.69Å; L135-R147 HydrophobicContact CD1-CG 3.87Å; E143-R147 HydrophobicContact CG-CG 4.33Å; E143-R147 VanDerWaalsContact O-CG 3.29Å; E143-R147 WeakPolarHBondContact O-CG 3.47Å; E143-R147 PolarHBondContact O-N 3.46Å; E143-R147 IonicContact OE1-CZ 3.16Å; E143-R147 IonicContact OE1-NE 2.75Å; E143-R147 PolarHBondContact OE1-NE 2.86Å; E143-R147 IonicContact OE1-NH2 2.77Å; E143-R147 PolarHBondContact OE1-NH2 3.32Å; A144-R147 PolarHBondContact O-N 3.11Å; R145-R147 VanDerWaalsContact C-N 3.35Å; R147-M149 VanDerWaalsContact C-N 3.27Å; R147-M149 PolarHBondContact O-N 3.39Å; R147-L150 CarbonylContact O-C 3.55Å; R147-L150 PolarHBondContact O-N 3.23Å; R147-S151 PolarHBondContact O-N 2.91Å
148I97.8Very high96.4Very high7 Ų739.5 Ų39.54%0.03622%0.219CC..Hα-helixtrans-64.8-35.1178.9-161.664.7000111.6A132 A144 R145 L150 S151 A156 A157 F160A132-I148 HydrophobicContact CB-CB 3.84Å; A132-I148 HydrophobicContact CB-CD1 4.1Å; A144-I148 PolarHBondContact O-N 2.77Å; R145-I148 WeakPolarHBondContact O-CG2 3.48Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 PolarHBondContact O-N 2.78Å; I148-S151 WeakPolarHBondContact O-CB 3.41Å; I148-S151 PolarHBondContact O-N 2.81Å; I148-S151 VanDerWaalsContact O-N 3.17Å; I148-S151 PolarHBondContact O-OG 3.42Å; I148-A156 HydrophobicContact CD1-CB 3.84Å; I148-A157 HydrophobicContact CG1-CB 4.41Å; I148-F160 HydrophobicContact CB-CG 4.36Å; I148-F160 HydrophobicContact CG1-CB 4.06Å; I148-F160 HydrophobicContact CG1-CG 4.29Å; I148-F160 HydrophobicContact CG2-CB 4.35Å; I148-F160 HydrophobicContact CG2-CD1 3.62Å; I148-F160 HydrophobicContact CG2-CD2 4.37Å; I148-F160 HydrophobicContact CG2-CE1 3.93Å; I148-F160 HydrophobicContact CG2-CG 3.86Å; I148-F160 HydrophobicContact CG2-CZ 4.43Å
149M96.2Very high96.5Very high13 Ų1336.5 Ų36.56%0.06421%0.206CC..Hα-helixtrans-66.8-30.7174.6-67.7-62.3-61.500112R145 L146 R147 S151 A181 Q184 F185R145-M149 WeakPolarHBondContact O-CG 3.27Å; R145-M149 PolarHBondContact O-N 2.84Å; L146-M149 PolarHBondContact O-N 3.21Å; R147-M149 VanDerWaalsContact C-N 3.27Å; R147-M149 PolarHBondContact O-N 3.39Å; M149-S151 VanDerWaalsContact C-N 3.35Å; M149-A181 HydrophobicContact CE-CB 3.75Å; M149-A181 WeakPolarHBondContact CE-O 3.46Å; M149-A181 HydrophobicContact SD-CB 3.79Å; M149-Q184 HydrophobicContact CE-CB 4.13Å; M149-F185 HydrophobicContact CE-CD1 4Å; M149-F185 HydrophobicContact CE-CD2 3.77Å; M149-F185 HydrophobicContact CE-CE1 3.64Å; M149-F185 HydrophobicContact CE-CE2 3.39Å; M149-F185 HydrophobicContact CE-CG 4.06Å; M149-F185 HydrophobicContact CE-CZ 3.32Å; M149-F185 WeakPolarHBondContact O-CE1 3.34Å; M149-F185 HydrophobicContact SD-CE1 4.29Å; M149-F185 HydrophobicContact SD-CE2 3.74Å; M149-F185 HydrophobicContact SD-CZ 3.52Å; M149-F185 VanDerWaalsContact SD-CZ 3.52Å
150L96.5Very high96.7Very high54 Ų5435.2 Ų35.228%0.28319%0.192SC..Hα-helixtrans-79.5-15174.2-66.4173.2000113.6N128 L146 R147 I148 S152N128-L150 HydrophobicContact CB-CB 4.17Å; L146-L150 HydrophobicContact CD1-CD1 4.28Å; L146-L150 HydrophobicContact CG-CD1 4.25Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.01Å; L146-L150 VanDerWaalsContact O-N 3.17Å; R147-L150 CarbonylContact O-C 3.55Å; R147-L150 PolarHBondContact O-N 3.23Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 PolarHBondContact O-N 2.78Å; L150-S152 PolarHBondContact O-N 3.23Å
151S96.5Very high96.8Very high8 Ų832.9 Ų32.96%0.05618%0.175CC..THydrogen-bonded Turntrans-67.9-14.2178.1780000114A125 R147 I148 M149 N153A125-S151 WeakPolarHBondContact CB-O 3.42Å; A125-S151 WeakPolarHBondContact O-CA 3.43Å; A125-S151 WeakPolarHBondContact O-CB 3.46Å; R147-S151 PolarHBondContact O-N 2.91Å; I148-S151 WeakPolarHBondContact O-CB 3.41Å; I148-S151 PolarHBondContact O-N 2.81Å; I148-S151 VanDerWaalsContact O-N 3.17Å; I148-S151 PolarHBondContact O-OG 3.42Å; M149-S151 VanDerWaalsContact C-N 3.35Å; S151-N153 PolarHBondContact O-N 2.95Å; S151-N153 PolarHBondContact OG-N 3.39Å
152S92.5Very high97Very high44 Ų4430.9 Ų30.931%0.30817%0.167SC..THydrogen-bonded Turntrans5417.7-176-51.10000114.4L150 Q190 V193L150-S152 PolarHBondContact O-N 3.23Å; S152-Q190 PolarHBondContact OG-NE2 3.46Å; S152-V193 VanDerWaalsContact O-CG2 3.25Å; S152-V193 WeakPolarHBondContact O-CG2 3.25Å
153N97.3Very high97.2Very high75 Ų7526.2 Ų26.240%0.40113%0.134SC..  trans-101.4101.9177.2-176.3-27000109.5S151 Y155 A156 A157S151-N153 PolarHBondContact O-N 2.95Å; S151-N153 PolarHBondContact OG-N 3.39Å; N153-Y155 VanDerWaalsContact C-N 3.31Å; N153-Y155 PolarHBondContact O-N 3.33Å; N153-Y155 PolarHBondContact OD1-N 3.39Å; N153-Y155 VanDerWaalsContact OD1-N 3.13Å; N153-A156 HydrophobicContact CB-CB 3.99Å; N153-A156 PolarHBondContact O-N 2.62Å; N153-A156 PolarHBondContact OD1-N 3.11Å; N153-A157 WeakPolarHBondContact O-CB 3.33Å; N153-A157 PolarHBondContact O-N 3.12Å
154G98.3Very high97.2Very high1 Ų123.6 Ų23.61%0.0112%0.123CC..Hα-helixtrans-67.4-30.4-175.200000113.5G158 T197G154-G158 PolarHBondContact O-N 3.44Å; G154-T197 VanDerWaalsContact CA-OG1 3.22Å; G154-T197 WeakPolarHBondContact CA-OG1 3.47Å; G154-T197 WeakPolarHBondContact O-CA 3.34Å; G154-T197 PolarHBondContact O-N 2.92Å; G154-T197 PolarHBondContact O-OG1 3.39Å
155Y98.3Very high97.2Very high79 Ų7923.7 Ų23.731%0.3112%0.123SC..Hα-helixtrans-66.3-52.2175.1176-102000110.1N153 A157 G158 V159 T200 V325N153-Y155 VanDerWaalsContact C-N 3.31Å; N153-Y155 PolarHBondContact O-N 3.33Å; N153-Y155 PolarHBondContact OD1-N 3.39Å; N153-Y155 VanDerWaalsContact OD1-N 3.13Å; Y155-A157 VanDerWaalsContact C-N 3.34Å; Y155-A157 PolarHBondContact O-N 3.05Å; Y155-G158 PolarHBondContact O-N 3.36Å; Y155-G158 VanDerWaalsContact O-N 3.13Å; Y155-V159 HydrophobicContact CD1-CG2 4.44Å; Y155-V159 HydrophobicContact CE1-CG2 4.05Å; Y155-V159 HydrophobicContact CE2-CG2 4.13Å; Y155-V159 WeakPolarHBondContact O-CG2 3.29Å; Y155-V159 PolarHBondContact O-N 2.86Å; Y155-T200 HydrophobicContact CD2-CG2 3.61Å; Y155-T200 HydrophobicContact CE2-CG2 3.96Å; Y155-T200 HydrophobicContact CG-CG2 4.37Å; Y155-T200 WeakPolarHBondContact O-CG2 3.37Å; Y155-V325 HydrophobicContact CE1-CG1 4.4Å
156A97.9Very high97.2Very high16 Ų1625.4 Ų25.413%0.13213%0.133CC..Hα-helixtrans-62.1-40.9179.800000112I148 N153 V159 F160I148-A156 HydrophobicContact CD1-CB 3.84Å; N153-A156 HydrophobicContact CB-CB 3.99Å; N153-A156 PolarHBondContact O-N 2.62Å; N153-A156 PolarHBondContact OD1-N 3.11Å; A156-V159 PolarHBondContact O-N 3.11Å; A156-F160 VanDerWaalsContact O-CB 3.25Å; A156-F160 WeakPolarHBondContact O-CB 3.42Å; A156-F160 PolarHBondContact O-N 2.89Å
157A98.4Very high97Very high0 Ų028.6 Ų28.60%014%0.139CC..Hα-helixtrans-60.5-45.5173.100000111.8I148 N153 Y155 F160 L161 F185 T197I148-A157 HydrophobicContact CG1-CB 4.41Å; N153-A157 WeakPolarHBondContact O-CB 3.33Å; N153-A157 PolarHBondContact O-N 3.12Å; Y155-A157 VanDerWaalsContact C-N 3.34Å; Y155-A157 PolarHBondContact O-N 3.05Å; A157-F160 PolarHBondContact O-N 3.45Å; A157-L161 WeakPolarHBondContact O-CB 3.22Å; A157-L161 WeakPolarHBondContact O-CD1 3.49Å; A157-L161 WeakPolarHBondContact O-CG 3.45Å; A157-L161 PolarHBondContact O-N 3.42Å; A157-F185 HydrophobicContact CB-CE2 4.18Å; A157-F185 HydrophobicContact CB-CZ 4.02Å; A157-T197 HydrophobicContact CB-CG2 4.05Å
158G98.2Very high96.7Very high0 Ų032.9 Ų32.90%016%0.156CC..Hα-helixtrans-60.6-47.3177.500000112.8G154 Y155 L161 V162G154-G158 PolarHBondContact O-N 3.44Å; Y155-G158 PolarHBondContact O-N 3.36Å; Y155-G158 VanDerWaalsContact O-N 3.13Å; G158-L161 PolarHBondContact O-N 2.95Å; G158-V162 WeakPolarHBondContact O-CG2 3.12Å; G158-V162 PolarHBondContact O-N 3.47Å; G158-V162 VanDerWaalsContact O-N 3.11Å
159V98Very high96.6Very high12 Ų1233.3 Ų33.37%0.07316%0.163CC..Hα-helixtrans-61.3-48.2176.8174.40000111.1Y155 A156 L161 V162 A163 T200 F322Y155-V159 HydrophobicContact CD1-CG2 4.44Å; Y155-V159 HydrophobicContact CE1-CG2 4.05Å; Y155-V159 HydrophobicContact CE2-CG2 4.13Å; Y155-V159 WeakPolarHBondContact O-CG2 3.29Å; Y155-V159 PolarHBondContact O-N 2.86Å; A156-V159 PolarHBondContact O-N 3.11Å; V159-L161 VanDerWaalsContact C-N 3.32Å; V159-L161 PolarHBondContact O-N 3.32Å; V159-V162 PolarHBondContact O-N 3.29Å; V159-A163 PolarHBondContact O-N 2.93Å; V159-T200 HydrophobicContact CG2-CG2 3.9Å; V159-F322 HydrophobicContact CG1-CE1 4.38Å; V159-F322 HydrophobicContact CG1-CE2 4.26Å; V159-F322 HydrophobicContact CG1-CZ 3.79Å
160F98.1Very high96.5Very high5 Ų537.8 Ų37.82%0.02219%0.186CC..Hα-helixtrans-57.5-45177.9176.1-86.7000112W136 A144 R145 I148 A156 A157 V162 A163 L164W136-F160 HydrophobicContact CB-CE2 4.23Å; W136-F160 HydrophobicContact CD2-CD2 4.43Å; W136-F160 AromaticContact CD2-CE2 3.99Å; W136-F160 HydrophobicContact CD2-CE2 3.99Å; W136-F160 HydrophobicContact CE3-CD2 4.13Å; W136-F160 AromaticContact CE3-CE2 3.39Å; W136-F160 HydrophobicContact CE3-CE2 3.39Å; W136-F160 AromaticContact CE3-CZ 3.86Å; W136-F160 HydrophobicContact CE3-CZ 3.86Å; W136-F160 HydrophobicContact CG-CE2 4.34Å; W136-F160 HydrophobicContact CZ3-CE2 4.09Å; W136-F160 HydrophobicContact CZ3-CZ 4.23Å; A144-F160 HydrophobicContact CB-CE2 3.8Å; A144-F160 HydrophobicContact CB-CZ 3.89Å; R145-F160 HydrophobicContact CB-CE1 3.89Å; R145-F160 HydrophobicContact CB-CZ 4.13Å; R145-F160 HydrophobicContact CG-CE1 4.32Å; I148-F160 HydrophobicContact CB-CG 4.36Å; I148-F160 HydrophobicContact CG1-CB 4.06Å; I148-F160 HydrophobicContact CG1-CG 4.29Å; I148-F160 HydrophobicContact CG2-CB 4.35Å; I148-F160 HydrophobicContact CG2-CD1 3.62Å; I148-F160 HydrophobicContact CG2-CD2 4.37Å; I148-F160 HydrophobicContact CG2-CE1 3.93Å; I148-F160 HydrophobicContact CG2-CG 3.86Å; I148-F160 HydrophobicContact CG2-CZ 4.43Å; A156-F160 VanDerWaalsContact O-CB 3.25Å; A156-F160 WeakPolarHBondContact O-CB 3.42Å; A156-F160 PolarHBondContact O-N 2.89Å; A157-F160 PolarHBondContact O-N 3.45Å; F160-V162 VanDerWaalsContact C-N 3.35Å; F160-V162 PolarHBondContact O-N 2.82Å; F160-A163 PolarHBondContact O-N 3.13Å; F160-L164 HydrophobicContact CE1-CB 4.32Å; F160-L164 HydrophobicContact CE1-CD2 3.89Å; F160-L164 VanDerWaalsContact O-CB 3.31Å; F160-L164 WeakPolarHBondContact O-CB 3.38Å; F160-L164 PolarHBondContact O-N 2.93Å
161L98Very high96.3Very high1 Ų143 Ų431%0.00520%0.202CC..Hα-helixtrans-64.2-39180-71170.8000112A157 G158 V159 L164 H165 L178 A181 T197 Y201A157-L161 WeakPolarHBondContact O-CB 3.22Å; A157-L161 WeakPolarHBondContact O-CD1 3.49Å; A157-L161 WeakPolarHBondContact O-CG 3.45Å; A157-L161 PolarHBondContact O-N 3.42Å; G158-L161 PolarHBondContact O-N 2.95Å; V159-L161 VanDerWaalsContact C-N 3.32Å; V159-L161 PolarHBondContact O-N 3.32Å; L161-L164 PolarHBondContact O-N 2.65Å; L161-H165 WeakPolarHBondContact O-CB 3.5Å; L161-H165 PolarHBondContact O-N 3.37Å; L161-L178 HydrophobicContact CD1-CD1 4.45Å; L161-A181 HydrophobicContact CD1-CB 3.57Å; L161-T197 HydrophobicContact CD1-CG2 3.82Å; L161-Y201 HydrophobicContact CB-CD2 3.52Å; L161-Y201 HydrophobicContact CB-CE2 3.66Å
162V97.9Very high96.1Very high7 Ų746.1 Ų46.14%0.04222%0.224CC..Hα-helixtrans-61.8-49.6174.5172.70000109.9G158 V159 F160 L164 H165 Q166 Y201 R204 H205G158-V162 WeakPolarHBondContact O-CG2 3.12Å; G158-V162 PolarHBondContact O-N 3.47Å; G158-V162 VanDerWaalsContact O-N 3.11Å; V159-V162 PolarHBondContact O-N 3.29Å; F160-V162 VanDerWaalsContact C-N 3.35Å; F160-V162 PolarHBondContact O-N 2.82Å; V162-L164 VanDerWaalsContact C-N 3.34Å; V162-L164 PolarHBondContact O-N 2.93Å; V162-H165 PolarHBondContact O-N 3.34Å; V162-Q166 HydrophobicContact CG1-CG 4.22Å; V162-Q166 WeakPolarHBondContact O-CB 3.49Å; V162-Q166 VanDerWaalsContact O-CG 3.28Å; V162-Q166 WeakPolarHBondContact O-CG 3.31Å; V162-Q166 PolarHBondContact O-N 3.03Å; V162-Y201 HydrophobicContact CB-CD2 4.42Å; V162-Y201 HydrophobicContact CB-CE2 4.49Å; V162-Y201 HydrophobicContact CG2-CD2 3.47Å; V162-Y201 VanDerWaalsContact CG2-CD2 3.47Å; V162-Y201 HydrophobicContact CG2-CE2 3.86Å; V162-Y201 HydrophobicContact CG2-CG 4.02Å; V162-R204 HydrophobicContact CG2-CB 4.39Å; V162-H205 HydrophobicContact CG2-CB 4.19Å
163A97.1Very high96.3Very high9 Ų947.2 Ų47.27%0.07423%0.225CC..Hα-helixtrans-61.3-42.4179.400000112.2W136 V159 F160 R167 M320W136-A163 HydrophobicContact CH2-CB 4.29Å; W136-A163 HydrophobicContact CZ2-CB 4Å; V159-A163 PolarHBondContact O-N 2.93Å; F160-A163 PolarHBondContact O-N 3.13Å; A163-R167 WeakPolarHBondContact O-CB 3.18Å; A163-R167 PolarHBondContact O-N 3.04Å; A163-R167 VanDerWaalsContact O-N 3.1Å; A163-M320 HydrophobicContact CB-CE 4.42Å
164L96.6Very high96.3Very high15 Ų1543.7 Ų43.78%0.07921%0.205CC..Hα-helixtrans-61.8-47.4177178.966.5000111.7W136 F141 F160 L161 V162 R167 Y168 F177W136-L164 HydrophobicContact CH2-CB 4.31Å; W136-L164 HydrophobicContact CH2-CD1 4.49Å; W136-L164 HydrophobicContact CZ3-CB 4.09Å; W136-L164 HydrophobicContact CZ3-CD1 3.88Å; F141-L164 HydrophobicContact CB-CD1 4.4Å; F160-L164 HydrophobicContact CE1-CB 4.32Å; F160-L164 HydrophobicContact CE1-CD2 3.89Å; F160-L164 VanDerWaalsContact O-CB 3.31Å; F160-L164 WeakPolarHBondContact O-CB 3.38Å; F160-L164 PolarHBondContact O-N 2.93Å; L161-L164 PolarHBondContact O-N 2.65Å; V162-L164 VanDerWaalsContact C-N 3.34Å; V162-L164 PolarHBondContact O-N 2.93Å; L164-R167 PolarHBondContact O-N 3.17Å; L164-Y168 HydrophobicContact CD1-CD2 4.08Å; L164-Y168 PolarHBondContact O-N 3.26Å; L164-Y168 VanDerWaalsContact O-N 3.08Å; L164-F177 HydrophobicContact CD2-CD1 3.92Å; L164-F177 HydrophobicContact CD2-CE1 3.71Å; L164-F177 HydrophobicContact CG-CD1 4.21Å; L164-F177 HydrophobicContact CG-CE1 3.75Å
165H96.9Very high96.2Very high1 Ų143.8 Ų43.81%0.00521%0.206CC..Hα-helixtrans-65-46.4177.3175.2-91.6000112L161 V162 R167 Y168 G169 L170 I174 F177 H205L161-H165 WeakPolarHBondContact O-CB 3.5Å; L161-H165 PolarHBondContact O-N 3.37Å; V162-H165 PolarHBondContact O-N 3.34Å; H165-R167 PolarHBondContact O-N 3.4Å; H165-Y168 PolarHBondContact O-N 3.17Å; H165-G169 WeakPolarHBondContact O-CA 3.37Å; H165-G169 PolarHBondContact O-N 3.43Å; H165-L170 PolarHBondContact NE2-O 3.08Å; H165-I174 WeakPolarHBondContact NE2-CA 3.28Å; H165-F177 HydrophobicContact CB-CD2 4.3Å; H165-F177 HydrophobicContact CB-CG 4.3Å; H165-F177 AromaticContact CD2-CD2 3.7Å; H165-F177 AromaticContact CD2-CE2 3.75Å; H165-H205 AromaticContact CE1-NE2 3.65Å; H165-H205 AromaticContact CG-NE2 3.83Å; H165-H205 AromaticContact ND1-CE1 3.68Å; H165-H205 AromaticContact ND1-NE2 2.93Å; H165-H205 PolarHBondContact ND1-NE2 3.44Å
166Q95.9Very high96.2Very high75 Ų7541.6 Ų41.635%0.3520%0.199SC..Hα-helixtrans-59-35.4-179.7-77.2-179-21.400112.7V162V162-Q166 HydrophobicContact CG1-CG 4.22Å; V162-Q166 WeakPolarHBondContact O-CB 3.49Å; V162-Q166 VanDerWaalsContact O-CG 3.28Å; V162-Q166 WeakPolarHBondContact O-CG 3.31Å; V162-Q166 PolarHBondContact O-N 3.03Å
167R93.7Very high96.1Very high149 Ų14942.6 Ų42.656%0.56220%0.201SC*.Hα-helixtrans-83.9-32.5-176.7-163.8171.4176.6-174-1.6113.3A163 L164 H165A163-R167 WeakPolarHBondContact O-CB 3.18Å; A163-R167 PolarHBondContact O-N 3.04Å; A163-R167 VanDerWaalsContact O-N 3.1Å; L164-R167 PolarHBondContact O-N 3.17Å; H165-R167 PolarHBondContact O-N 3.4Å
168Y91.9Very high96.1Very high119 Ų11942.6 Ų42.647%0.46720%0.201SC..Hα-helixtrans-137.8-11.2-168.7-58.7-69.6000116.2F141 L164 H165F141-Y168 HydrophobicContact CD1-CE2 4.25Å; F141-Y168 HydrophobicContact CD2-CE2 4.08Å; F141-Y168 AromaticContact CE1-CE2 3.86Å; F141-Y168 HydrophobicContact CE1-CE2 3.86Å; F141-Y168 HydrophobicContact CE2-CE1 4.41Å; F141-Y168 AromaticContact CE2-CE2 3.68Å; F141-Y168 HydrophobicContact CE2-CE2 3.68Å; F141-Y168 AromaticContact CE2-CZ 3.52Å; F141-Y168 VanDerWaalsContact CE2-OH 3.23Å; F141-Y168 WeakPolarHBondContact CE2-OH 3.44Å; F141-Y168 HydrophobicContact CG-CE2 4.35Å; F141-Y168 AromaticContact CZ-CE2 3.57Å; F141-Y168 HydrophobicContact CZ-CE2 3.57Å; F141-Y168 AromaticContact CZ-CZ 3.54Å; F141-Y168 WeakPolarHBondContact CZ-OH 3.48Å; L164-Y168 HydrophobicContact CD1-CD2 4.08Å; L164-Y168 PolarHBondContact O-N 3.26Å; L164-Y168 VanDerWaalsContact O-N 3.08Å; H165-Y168 PolarHBondContact O-N 3.17Å
169G94Very high96.1Very high17 Ų1742.6 Ų42.618%0.17520%0.201CC..  trans-91.2144.9-173.100000113.9H165H165-G169 WeakPolarHBondContact O-CA 3.37Å; H165-G169 PolarHBondContact O-N 3.43Å
170L94.8Very high96.1Very high106 Ų10644.7 Ų44.756%0.55521%0.21SC*.  trans-73.9153.4171.7-62.4174.6000110.9H165 S172 E173H165-L170 PolarHBondContact NE2-O 3.08Å; L170-S172 PolarHBondContact O-N 3.48Å; L170-E173 HydrophobicContact CB-CB 4.49Å; L170-E173 HydrophobicContact CB-CG 4.01Å; L170-E173 WeakPolarHBondContact CB-OE2 3.37Å; L170-E173 PolarHBondContact N-OE2 3.02Å; L170-E173 PolarHBondContact O-N 3.27Å
171R91.8Very high96.1Very high163 Ų16344.4 Ų44.462%0.61521%0.209SC*.G310 helixtrans-56.8-37.7176.6-178.5176.7177.9152.10.7112.1E173 I174R171-E173 PolarHBondContact O-N 3.46Å; R171-I174 WeakPolarHBondContact O-CG2 3.33Å
172S93.2Very high96.1Very high75 Ų7544.4 Ų44.452%0.52421%0.208SC..G310 helixtrans-67.7-19.4177.747.90000113.3L170 R252L170-S172 PolarHBondContact O-N 3.48Å; S172-R252 PolarHBondContact O-NH2 3.02Å
173E95.7Very high96.2Very high67 Ų6744 Ų4431%0.31321%0.206SC..G310 helixtrans-97.5-4.5-174.9-62.1175.1144.200113.5L170 R171 D175 L176 F177L170-E173 HydrophobicContact CB-CB 4.49Å; L170-E173 HydrophobicContact CB-CG 4.01Å; L170-E173 WeakPolarHBondContact CB-OE2 3.37Å; L170-E173 PolarHBondContact N-OE2 3.02Å; L170-E173 PolarHBondContact O-N 3.27Å; R171-E173 PolarHBondContact O-N 3.46Å; E173-D175 PolarHBondContact O-N 3.41Å; E173-L176 HydrophobicContact CB-CD1 4.26Å; E173-L176 HydrophobicContact CG-CD1 4.17Å; E173-L176 WeakPolarHBondContact O-CA 3.37Å; E173-L176 WeakPolarHBondContact O-CB 3.2Å; E173-L176 PolarHBondContact O-N 3.23Å; E173-F177 HydrophobicContact CB-CD2 4.32Å; E173-F177 HydrophobicContact CB-CE2 4.01Å; E173-F177 WeakPolarHBondContact O-CD2 3.41Å; E173-F177 PolarHBondContact O-N 3.35Å
174I97Very high96.2Very high0 Ų045.7 Ų45.70%021%0.212CC..Hα-helixtrans-47.7-37.1-176.1-172.4175.2000114.5H165 R171 Y201 H205 R207 L208 F217H165-I174 WeakPolarHBondContact NE2-CA 3.28Å; R171-I174 WeakPolarHBondContact O-CG2 3.33Å; I174-Y201 WeakPolarHBondContact O-CE1 3.21Å; I174-Y201 PolarHBondContact O-OH 3.42Å; I174-H205 WeakPolarHBondContact CD1-CE1 3.43Å; I174-H205 WeakPolarHBondContact CD1-ND1 3.38Å; I174-R207 HydrophobicContact CD1-CB 4Å; I174-L208 HydrophobicContact CD1-CD1 4.44Å; I174-L208 HydrophobicContact CD1-CD2 3.53Å; I174-L208 HydrophobicContact CD1-CG 3.76Å; I174-L208 HydrophobicContact CG1-CD2 4.11Å; I174-L208 HydrophobicContact CG1-CG 4.34Å; I174-F217 HydrophobicContact CB-CE1 4.47Å; I174-F217 HydrophobicContact CD1-CZ 4.29Å; I174-F217 HydrophobicContact CG2-CD1 3.5Å; I174-F217 HydrophobicContact CG2-CE1 2.97Å; I174-F217 HydrophobicContact CG2-CE2 4.22Å; I174-F217 HydrophobicContact CG2-CG 4.33Å; I174-F217 HydrophobicContact CG2-CZ 3.39Å
175D97.6Very high96.3Very high3 Ų345 Ų452%0.01621%0.209CC..Hα-helixtrans-84.9-23.7178.456.3-10.5000113.1E173 L178 A179 F217 L219 L220 R252E173-D175 PolarHBondContact O-N 3.41Å; D175-L178 PolarHBondContact O-N 3.46Å; D175-A179 VanDerWaalsContact O-CB 3.22Å; D175-A179 WeakPolarHBondContact O-CB 3.11Å; D175-A179 PolarHBondContact O-N 3.32Å; D175-F217 HydrophobicContact CB-CB 4.33Å; D175-F217 HydrophobicContact CB-CD1 4.16Å; D175-L219 HydrophobicContact CB-CB 4.26Å; D175-L219 HydrophobicContact CB-CD2 4.38Å; D175-L219 WeakPolarHBondContact OD2-CB 3.45Å; D175-L220 HydrophobicContact CB-CD1 4.37Å; D175-L220 HydrophobicContact CB-CD2 3.74Å; D175-L220 HydrophobicContact CB-CG 3.76Å; D175-R252 IonicContact OD1-CZ 3.51Å; D175-R252 IonicContact OD1-NH1 2.79Å; D175-R252 PolarHBondContact OD1-NH1 3.04Å; D175-R252 IonicContact OD1-NH2 3.36Å; D175-R252 PolarHBondContact OD1-NH2 3.37Å; D175-R252 IonicContact OD2-NH1 2.83Å; D175-R252 PolarHBondContact OD2-NH1 2.84Å
176L97.5Very high96.4Very high34 Ų3444.9 Ų44.918%0.17821%0.208CC..Hα-helixtrans-68.7-39.5179-58.2-177.3000112.6E173 L178 A179 Q180 L219 R252 Y256E173-L176 HydrophobicContact CB-CD1 4.26Å; E173-L176 HydrophobicContact CG-CD1 4.17Å; E173-L176 WeakPolarHBondContact O-CA 3.37Å; E173-L176 WeakPolarHBondContact O-CB 3.2Å; E173-L176 PolarHBondContact O-N 3.23Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L176-L178 PolarHBondContact O-N 3.45Å; L176-A179 PolarHBondContact O-N 3.28Å; L176-Q180 PolarHBondContact O-N 2.96Å; L176-L219 HydrophobicContact CD2-CD2 3.79Å; L176-R252 HydrophobicContact CD2-CB 4.19Å; L176-Y256 WeakPolarHBondContact CA-OH 3.11Å; L176-Y256 HydrophobicContact CD2-CE2 4.09Å; L176-Y256 WeakPolarHBondContact CD2-OH 3.27Å; L176-Y256 PolarHBondContact O-OH 2.84Å
177F96.8Very high96.4Very high37 Ų3742.6 Ų42.616%0.16220%0.2CC..Hα-helixtrans-56.7-45.1176.8-80.8-97.3000111.3R145 L164 H165 E173R145-F177 PolarHBondContact NH2-O 3.1Å; L164-F177 HydrophobicContact CD2-CD1 3.92Å; L164-F177 HydrophobicContact CD2-CE1 3.71Å; L164-F177 HydrophobicContact CG-CD1 4.21Å; L164-F177 HydrophobicContact CG-CE1 3.75Å; H165-F177 HydrophobicContact CB-CD2 4.3Å; H165-F177 HydrophobicContact CB-CG 4.3Å; H165-F177 AromaticContact CD2-CD2 3.7Å; H165-F177 AromaticContact CD2-CE2 3.75Å; E173-F177 HydrophobicContact CB-CD2 4.32Å; E173-F177 HydrophobicContact CB-CE2 4.01Å; E173-F177 WeakPolarHBondContact O-CD2 3.41Å; E173-F177 PolarHBondContact O-N 3.35Å
178L98Very high96.5Very high0 Ų040 Ų400%020%0.195CC..Hα-helixtrans-76.4-42.4179.4-178.359.4000112.2L161 D175 L176 Q180 A181 V182 T197 F198 Y201 T202 L220 L223L161-L178 HydrophobicContact CD1-CD1 4.45Å; D175-L178 PolarHBondContact O-N 3.46Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L176-L178 PolarHBondContact O-N 3.45Å; L178-Q180 VanDerWaalsContact C-N 3.35Å; L178-Q180 PolarHBondContact O-N 2.87Å; L178-A181 PolarHBondContact O-N 3.45Å; L178-V182 HydrophobicContact CD1-CG2 3.71Å; L178-V182 HydrophobicContact CG-CG2 4.03Å; L178-V182 WeakPolarHBondContact O-CG2 3.22Å; L178-V182 PolarHBondContact O-N 2.92Å; L178-T197 HydrophobicContact CD1-CG2 4.01Å; L178-F198 HydrophobicContact CD2-CD2 3.67Å; L178-F198 HydrophobicContact CD2-CE2 4.1Å; L178-F198 HydrophobicContact CD2-CG 4.35Å; L178-F198 HydrophobicContact CG-CD2 4.39Å; L178-Y201 HydrophobicContact CB-CD1 3.8Å; L178-Y201 HydrophobicContact CB-CE1 3.86Å; L178-Y201 HydrophobicContact CB-CG 4.18Å; L178-Y201 HydrophobicContact CD1-CD1 4.28Å; L178-Y201 HydrophobicContact CD1-CG 4.01Å; L178-Y201 HydrophobicContact CD2-CD1 3.5Å; L178-Y201 VanDerWaalsContact CD2-CD1 3.5Å; L178-Y201 HydrophobicContact CD2-CE1 4.23Å; L178-Y201 HydrophobicContact CD2-CG 4.04Å; L178-Y201 HydrophobicContact CG-CD1 4.04Å; L178-Y201 HydrophobicContact CG-CG 4.28Å; L178-T202 HydrophobicContact CD2-CG2 3.84Å; L178-L220 HydrophobicContact CB-CD2 4.35Å; L178-L220 HydrophobicContact CD2-CD2 3.67Å; L178-L220 HydrophobicContact CG-CD2 4.39Å; L178-L223 HydrophobicContact CG-CD1 4.38Å
179A98.6Very high96.7Very high0 Ų041.3 Ų41.30%020%0.204CC..Hα-helixtrans-57.3-48.1-179.700000112D175 L176 A181 V182 L183 L219 L223 Y256D175-A179 VanDerWaalsContact O-CB 3.22Å; D175-A179 WeakPolarHBondContact O-CB 3.11Å; D175-A179 PolarHBondContact O-N 3.32Å; L176-A179 PolarHBondContact O-N 3.28Å; A179-A181 VanDerWaalsContact C-N 3.33Å; A179-A181 PolarHBondContact O-N 3.43Å; A179-V182 PolarHBondContact O-N 2.79Å; A179-L183 WeakPolarHBondContact O-CB 3.47Å; A179-L183 WeakPolarHBondContact O-CG 3.23Å; A179-L183 PolarHBondContact O-N 2.7Å; A179-L219 HydrophobicContact CB-CD1 4.46Å; A179-L219 HydrophobicContact CB-CD2 3.61Å; A179-L219 HydrophobicContact CB-CG 3.97Å; A179-L223 VanDerWaalsContact CA-CD1 3.46Å; A179-L223 HydrophobicContact CB-CD1 3.85Å; A179-L223 HydrophobicContact CB-CD2 4.25Å; A179-L223 HydrophobicContact CB-CG 4.46Å; A179-Y256 HydrophobicContact CB-CE2 4.11Å
180Q97.5Very high96.9Very high55 Ų5542.6 Ų42.626%0.25721%0.205SC..Hα-helixtrans-59-45.3177.4-166.5-172.722.300111.6L176 L178 Q184 Y256 Y259L176-Q180 PolarHBondContact O-N 2.96Å; L178-Q180 VanDerWaalsContact C-N 3.35Å; L178-Q180 PolarHBondContact O-N 2.87Å; Q180-Q184 WeakPolarHBondContact O-CB 3.29Å; Q180-Q184 WeakPolarHBondContact O-CG 3.22Å; Q180-Q184 PolarHBondContact O-N 3.2Å; Q180-Y256 HydrophobicContact CB-CE1 4.15Å; Q180-Y259 HydrophobicContact CG-CE2 4.41Å
181A97.9Very high97Very high0 Ų039.4 Ų39.40%019%0.188CC..Hα-helixtrans-65.3-48.6-178.700000112.5M149 L161 L178 A179 L183 Q184 F185M149-A181 HydrophobicContact CE-CB 3.75Å; M149-A181 WeakPolarHBondContact CE-O 3.46Å; M149-A181 HydrophobicContact SD-CB 3.79Å; L161-A181 HydrophobicContact CD1-CB 3.57Å; L178-A181 PolarHBondContact O-N 3.45Å; A179-A181 VanDerWaalsContact C-N 3.33Å; A179-A181 PolarHBondContact O-N 3.43Å; A181-L183 PolarHBondContact O-N 3.03Å; A181-Q184 PolarHBondContact O-N 2.94Å; A181-F185 HydrophobicContact CB-CE2 4.48Å; A181-F185 WeakPolarHBondContact O-CD2 3.43Å; A181-F185 WeakPolarHBondContact O-CG 3.37Å; A181-F185 PolarHBondContact O-N 2.96Å
182V98.7Very high97.3Very high0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-59.7-48178.21690000110.4L178 A179 Q184 F185 L186 A194 F198 L223 M227L178-V182 HydrophobicContact CD1-CG2 3.71Å; L178-V182 HydrophobicContact CG-CG2 4.03Å; L178-V182 WeakPolarHBondContact O-CG2 3.22Å; L178-V182 PolarHBondContact O-N 2.92Å; A179-V182 PolarHBondContact O-N 2.79Å; V182-Q184 VanDerWaalsContact C-N 3.34Å; V182-Q184 PolarHBondContact O-N 2.79Å; V182-F185 PolarHBondContact O-N 3.3Å; V182-L186 HydrophobicContact CG1-CD1 4.08Å; V182-L186 HydrophobicContact CG1-CG 4.43Å; V182-L186 VanDerWaalsContact O-CG 3.26Å; V182-L186 WeakPolarHBondContact O-CG 3.19Å; V182-L186 PolarHBondContact O-N 3.13Å; V182-A194 HydrophobicContact CG1-CB 4.35Å; V182-F198 HydrophobicContact CG2-CB 4.17Å; V182-F198 HydrophobicContact CG2-CD2 4.4Å; V182-L223 HydrophobicContact CB-CD1 4.44Å; V182-L223 HydrophobicContact CB-CD2 4.29Å; V182-L223 HydrophobicContact CG1-CB 4.43Å; V182-L223 HydrophobicContact CG1-CD2 4.05Å; V182-M227 HydrophobicContact CG1-CG 4.35Å; V182-M227 HydrophobicContact CG1-SD 3.95Å
183L98.7Very high97.5Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-62-40.7179.3-68.2175.8000112A179 A181 L186 C187 L223 L226 Y256 Y259 L260 I263A179-L183 WeakPolarHBondContact O-CB 3.47Å; A179-L183 WeakPolarHBondContact O-CG 3.23Å; A179-L183 PolarHBondContact O-N 2.7Å; A181-L183 PolarHBondContact O-N 3.03Å; L183-L186 PolarHBondContact O-N 3.13Å; L183-C187 PolarHBondContact O-N 3.13Å; L183-C187 PolarHBondContact O-SG 3.21Å; L183-L223 HydrophobicContact CD2-CD2 4.16Å; L183-L223 HydrophobicContact CG-CD2 4.1Å; L183-L226 HydrophobicContact CD2-CD2 3.85Å; L183-Y256 HydrophobicContact CD1-CD1 3.66Å; L183-Y256 HydrophobicContact CD1-CD2 4.43Å; L183-Y256 HydrophobicContact CD1-CE1 4.26Å; L183-Y256 HydrophobicContact CD1-CG 3.76Å; L183-Y259 HydrophobicContact CB-CD2 3.91Å; L183-Y259 HydrophobicContact CB-CG 4.04Å; L183-Y259 HydrophobicContact CD1-CD2 4.2Å; L183-L260 HydrophobicContact CD2-CD2 3.96Å; L183-I263 HydrophobicContact CB-CD1 4.47Å; L183-I263 HydrophobicContact CD2-CD1 3.63Å
184Q97.7Very high97.7Very high43 Ų4330.3 Ų30.320%0.20116%0.156CC..Hα-helixtrans-62.2-46.9175-75.1170.7-11.400112.3M149 Q180 A181 V182 L186 C187 M188 Y259M149-Q184 HydrophobicContact CE-CB 4.13Å; Q180-Q184 WeakPolarHBondContact O-CB 3.29Å; Q180-Q184 WeakPolarHBondContact O-CG 3.22Å; Q180-Q184 PolarHBondContact O-N 3.2Å; A181-Q184 PolarHBondContact O-N 2.94Å; V182-Q184 VanDerWaalsContact C-N 3.34Å; V182-Q184 PolarHBondContact O-N 2.79Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 2.96Å; Q184-C187 WeakPolarHBondContact O-CB 3.39Å; Q184-C187 PolarHBondContact O-N 3.06Å; Q184-C187 VanDerWaalsContact O-N 3.13Å; Q184-M188 WeakPolarHBondContact O-CG 3.25Å; Q184-M188 PolarHBondContact O-N 3.35Å; Q184-Y259 HydrophobicContact CG-CE1 3.86Å; Q184-Y259 HydrophobicContact CG-CE2 4.29Å; Q184-Y259 PolarHBondContact NE2-OH 3.33Å
185F98.4Very high97.8Very high0 Ų031.5 Ų31.50%016%0.162CC..Hα-helixtrans-60.5-40176.3-72.9-49.9000112.3M149 A157 A181 V182 M188 K189 Q190 V193 A194 T197M149-F185 HydrophobicContact CE-CD1 4Å; M149-F185 HydrophobicContact CE-CD2 3.77Å; M149-F185 HydrophobicContact CE-CE1 3.64Å; M149-F185 HydrophobicContact CE-CE2 3.39Å; M149-F185 HydrophobicContact CE-CG 4.06Å; M149-F185 HydrophobicContact CE-CZ 3.32Å; M149-F185 WeakPolarHBondContact O-CE1 3.34Å; M149-F185 HydrophobicContact SD-CE1 4.29Å; M149-F185 HydrophobicContact SD-CE2 3.74Å; M149-F185 HydrophobicContact SD-CZ 3.52Å; M149-F185 VanDerWaalsContact SD-CZ 3.52Å; A157-F185 HydrophobicContact CB-CE2 4.18Å; A157-F185 HydrophobicContact CB-CZ 4.02Å; A181-F185 HydrophobicContact CB-CE2 4.48Å; A181-F185 WeakPolarHBondContact O-CD2 3.43Å; A181-F185 WeakPolarHBondContact O-CG 3.37Å; A181-F185 PolarHBondContact O-N 2.96Å; V182-F185 PolarHBondContact O-N 3.3Å; F185-M188 CarbonylContact O-C 3.58Å; F185-M188 PolarHBondContact O-N 2.9Å; F185-M188 VanDerWaalsContact O-N 3.14Å; F185-K189 PolarHBondContact O-N 3.41Å; F185-Q190 HydrophobicContact CB-CB 4.41Å; F185-Q190 PolarHBondContact O-N 3.38Å; F185-V193 HydrophobicContact CD1-CB 4.37Å; F185-V193 HydrophobicContact CD1-CG1 3.8Å; F185-V193 HydrophobicContact CD2-CG1 4.22Å; F185-V193 HydrophobicContact CE1-CG1 3.59Å; F185-V193 HydrophobicContact CE2-CG1 4.03Å; F185-V193 HydrophobicContact CG-CG1 4.12Å; F185-V193 HydrophobicContact CZ-CG1 3.72Å; F185-A194 HydrophobicContact CB-CB 3.72Å; F185-T197 HydrophobicContact CE2-CG2 4.05Å; F185-T197 VanDerWaalsContact CE2-OG1 3.25Å; F185-T197 WeakPolarHBondContact CE2-OG1 3.12Å
186L98.4Very high97.8Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-63-42.4174-66177.5000111.5V182 L183 Q184 M188 K189 I191 A194 L226 M227 I230 I263 Y267V182-L186 HydrophobicContact CG1-CD1 4.08Å; V182-L186 HydrophobicContact CG1-CG 4.43Å; V182-L186 VanDerWaalsContact O-CG 3.26Å; V182-L186 WeakPolarHBondContact O-CG 3.19Å; V182-L186 PolarHBondContact O-N 3.13Å; L183-L186 PolarHBondContact O-N 3.13Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 2.96Å; L186-M188 PolarHBondContact O-N 3.36Å; L186-K189 PolarHBondContact O-N 3.49Å; L186-I191 HydrophobicContact CD2-CD1 3.38Å; L186-A194 HydrophobicContact CD2-CB 3.95Å; L186-A194 HydrophobicContact CG-CB 4.18Å; L186-L226 HydrophobicContact CD1-CD2 3.76Å; L186-L226 HydrophobicContact CD1-CG 4.15Å; L186-M227 HydrophobicContact CD1-CG 4.46Å; L186-I230 HydrophobicContact CD1-CD1 3.99Å; L186-I230 HydrophobicContact CD2-CD1 3.81Å; L186-I230 HydrophobicContact CG-CD1 4.42Å; L186-I263 HydrophobicContact CB-CD1 3.71Å; L186-I263 HydrophobicContact CB-CG1 3.86Å; L186-I263 HydrophobicContact CD1-CD1 4.02Å; L186-Y267 HydrophobicContact CB-CE2 4.41Å; L186-Y267 WeakPolarHBondContact O-CE2 3.44Å; L186-Y267 PolarHBondContact O-OH 3Å
187C97.5Very high97.9Very high27 Ų2733.7 Ų33.718%0.18217%0.174CC..Hα-helixtrans-61.6-28.7173.5-68.30000113.3L183 Q184 K189 K262 L266L183-C187 PolarHBondContact O-N 3.13Å; L183-C187 PolarHBondContact O-SG 3.21Å; Q184-C187 WeakPolarHBondContact O-CB 3.39Å; Q184-C187 PolarHBondContact O-N 3.06Å; Q184-C187 VanDerWaalsContact O-N 3.13Å; C187-K189 VanDerWaalsContact C-N 3.27Å; C187-K189 PolarHBondContact O-N 3.36Å; C187-K262 HydrophobicContact CB-CG 4.25Å; C187-L266 VanDerWaalsContact O-CD1 3.31Å; C187-L266 WeakPolarHBondContact O-CD1 3.25Å
188M95.6Very high97.9Very high93 Ų9332 Ų3246%0.45817%0.166SC..THydrogen-bonded Turntrans-856.8175.3-66.7177.466.600113.7Q184 F185 L186 Q190Q184-M188 WeakPolarHBondContact O-CG 3.25Å; Q184-M188 PolarHBondContact O-N 3.35Å; F185-M188 CarbonylContact O-C 3.58Å; F185-M188 PolarHBondContact O-N 2.9Å; F185-M188 VanDerWaalsContact O-N 3.14Å; L186-M188 PolarHBondContact O-N 3.36Å; M188-Q190 HydrophobicContact CB-CG 4.14Å; M188-Q190 PolarHBondContact O-N 2.95Å
189K96.4Very high97.9Very high147 Ų14735.2 Ų35.264%0.63918%0.179SC*.THydrogen-bonded Turntrans62.219.7-174.2-60.5-177.6174.1-178.30114.9F185 L186 C187 I191 L266 Y267F185-K189 PolarHBondContact O-N 3.41Å; L186-K189 PolarHBondContact O-N 3.49Å; C187-K189 VanDerWaalsContact C-N 3.27Å; C187-K189 PolarHBondContact O-N 3.36Å; K189-I191 PolarHBondContact O-N 3.15Å; K189-L266 VanDerWaalsContact CE-CD2 3.46Å; K189-L266 HydrophobicContact CG-CD1 4.14Å; K189-L266 HydrophobicContact CG-CD2 4.5Å; K189-Y267 VanDerWaalsContact CA-OH 3.32Å; K189-Y267 WeakPolarHBondContact CA-OH 3.38Å
190Q96.7Very high97.9Very high45 Ų4535.8 Ų35.821%0.2118%0.182CC..  trans-96.464.1-177.2-63.6-171.9-28.200111.6S152 F185 M188 S192 V193 A194S152-Q190 PolarHBondContact OG-NE2 3.46Å; F185-Q190 HydrophobicContact CB-CB 4.41Å; F185-Q190 PolarHBondContact O-N 3.38Å; M188-Q190 HydrophobicContact CB-CG 4.14Å; M188-Q190 PolarHBondContact O-N 2.95Å; Q190-S192 PolarHBondContact O-N 3.17Å; Q190-V193 HydrophobicContact CB-CB 3.96Å; Q190-V193 HydrophobicContact CB-CG2 3.95Å; Q190-V193 PolarHBondContact O-N 2.89Å; Q190-A194 PolarHBondContact O-N 2.79Å
191I97.9Very high98Very high38 Ų3833.1 Ų33.120%0.19517%0.17CC..Hα-helixtrans-59.6-44-176.1-174.461000112.7L186 K189 V193 A194 I195 M227 I230 E231L186-I191 HydrophobicContact CD2-CD1 3.38Å; K189-I191 PolarHBondContact O-N 3.15Å; I191-V193 VanDerWaalsContact C-N 3.32Å; I191-V193 PolarHBondContact O-N 2.87Å; I191-A194 WeakPolarHBondContact O-CB 3.45Å; I191-A194 PolarHBondContact O-N 3.38Å; I191-I195 HydrophobicContact CD1-CD1 4.08Å; I191-I195 HydrophobicContact CD1-CG1 4.31Å; I191-I195 HydrophobicContact CG1-CD1 3.87Å; I191-I195 VanDerWaalsContact O-CG1 3.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.39Å; I191-I195 PolarHBondContact O-N 2.87Å; I191-M227 HydrophobicContact CD1-CB 4.44Å; I191-M227 HydrophobicContact CD1-CG 4.39Å; I191-I230 HydrophobicContact CD1-CB 4.24Å; I191-I230 HydrophobicContact CD1-CD1 4.49Å; I191-I230 HydrophobicContact CD1-CG2 3.82Å; I191-I230 HydrophobicContact CG1-CG2 4.16Å; I191-E231 HydrophobicContact CG1-CG 4.32Å
192S98Very high98Very high93 Ų9333.2 Ų33.265%0.6517%0.17SC*.Hα-helixtrans-64.5-37.5-179.7-480000112.2Q190 L196Q190-S192 PolarHBondContact O-N 3.17Å; S192-L196 WeakPolarHBondContact O-CB 3.45Å; S192-L196 PolarHBondContact O-N 3.38Å
193V98.3Very high97.9Very high21 Ų2141.6 Ų41.613%0.12720%0.202CC..Hα-helixtrans-68.4-43.6176.7-175.40000110.2S152 F185 Q190 I191 I195 L196 T197S152-V193 VanDerWaalsContact O-CG2 3.25Å; S152-V193 WeakPolarHBondContact O-CG2 3.25Å; F185-V193 HydrophobicContact CD1-CB 4.37Å; F185-V193 HydrophobicContact CD1-CG1 3.8Å; F185-V193 HydrophobicContact CD2-CG1 4.22Å; F185-V193 HydrophobicContact CE1-CG1 3.59Å; F185-V193 HydrophobicContact CE2-CG1 4.03Å; F185-V193 HydrophobicContact CG-CG1 4.12Å; F185-V193 HydrophobicContact CZ-CG1 3.72Å; Q190-V193 HydrophobicContact CB-CB 3.96Å; Q190-V193 HydrophobicContact CB-CG2 3.95Å; Q190-V193 PolarHBondContact O-N 2.89Å; I191-V193 VanDerWaalsContact C-N 3.32Å; I191-V193 PolarHBondContact O-N 2.87Å; V193-I195 VanDerWaalsContact C-N 3.35Å; V193-I195 PolarHBondContact O-N 3.22Å; V193-L196 PolarHBondContact O-N 3.48Å; V193-T197 WeakPolarHBondContact O-CB 3.34Å; V193-T197 PolarHBondContact O-N 3.24Å; V193-T197 PolarHBondContact O-OG1 3.36Å
194A98.6Very high97.8Very high0 Ų048 Ų480%023%0.226CC..Hα-helixtrans-57.5-47.1175.900000111.7V182 F185 L186 Q190 I191 T197 F198 M227V182-A194 HydrophobicContact CG1-CB 4.35Å; F185-A194 HydrophobicContact CB-CB 3.72Å; L186-A194 HydrophobicContact CD2-CB 3.95Å; L186-A194 HydrophobicContact CG-CB 4.18Å; Q190-A194 PolarHBondContact O-N 2.79Å; I191-A194 WeakPolarHBondContact O-CB 3.45Å; I191-A194 PolarHBondContact O-N 3.38Å; A194-T197 PolarHBondContact O-N 3.05Å; A194-F198 WeakPolarHBondContact O-CB 3.22Å; A194-F198 PolarHBondContact O-N 3Å; A194-M227 HydrophobicContact CB-SD 4.26Å
195I98.5Very high97.8Very high26 Ų2646.2 Ų46.213%0.13322%0.218CC..Hα-helixtrans-63.4-48.5178.8-70.5169.2000111.4I191 V193 T197 F198 Y199 M227 E231I191-I195 HydrophobicContact CD1-CD1 4.08Å; I191-I195 HydrophobicContact CD1-CG1 4.31Å; I191-I195 HydrophobicContact CG1-CD1 3.87Å; I191-I195 VanDerWaalsContact O-CG1 3.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.39Å; I191-I195 PolarHBondContact O-N 2.87Å; V193-I195 VanDerWaalsContact C-N 3.35Å; V193-I195 PolarHBondContact O-N 3.22Å; I195-T197 VanDerWaalsContact C-N 3.32Å; I195-T197 PolarHBondContact O-N 3.18Å; I195-F198 WeakPolarHBondContact O-CB 3.22Å; I195-F198 PolarHBondContact O-N 3.42Å; I195-Y199 HydrophobicContact CG2-CD2 3.7Å; I195-Y199 HydrophobicContact CG2-CE2 3.72Å; I195-Y199 WeakPolarHBondContact O-CD2 3.18Å; I195-Y199 PolarHBondContact O-N 2.89Å; I195-M227 HydrophobicContact CB-SD 4.38Å; I195-M227 HydrophobicContact CG1-CB 4.25Å; I195-M227 HydrophobicContact CG1-CG 4.37Å; I195-M227 HydrophobicContact CG1-SD 3.67Å; I195-E231 HydrophobicContact CD1-CG 3.88Å; I195-E231 VanDerWaalsContact CD1-OE1 3.22Å; I195-E231 WeakPolarHBondContact CD1-OE1 3.49Å
196L98.5Very high97.6Very high83 Ų8350.6 Ų50.644%0.43525%0.246SC..Hα-helixtrans-64.2-38.9179.7-177.360.1000111.4S192 V193 T200S192-L196 WeakPolarHBondContact O-CB 3.45Å; S192-L196 PolarHBondContact O-N 3.38Å; V193-L196 PolarHBondContact O-N 3.48Å; L196-T200 WeakPolarHBondContact O-CB 3.33Å; L196-T200 PolarHBondContact O-N 2.66Å; L196-T200 PolarHBondContact O-OG1 3Å
197T98.6Very high97.4Very high0 Ų057.3 Ų57.30%027%0.272CS..Hα-helixtrans-60.4-48.2173.4-52.90000111.1G154 A157 L161 L178 F185 V193 A194 I195 T200 Y201G154-T197 VanDerWaalsContact CA-OG1 3.22Å; G154-T197 WeakPolarHBondContact CA-OG1 3.47Å; G154-T197 WeakPolarHBondContact O-CA 3.34Å; G154-T197 PolarHBondContact O-N 2.92Å; G154-T197 PolarHBondContact O-OG1 3.39Å; A157-T197 HydrophobicContact CB-CG2 4.05Å; L161-T197 HydrophobicContact CD1-CG2 3.82Å; L178-T197 HydrophobicContact CD1-CG2 4.01Å; F185-T197 HydrophobicContact CE2-CG2 4.05Å; F185-T197 VanDerWaalsContact CE2-OG1 3.25Å; F185-T197 WeakPolarHBondContact CE2-OG1 3.12Å; V193-T197 WeakPolarHBondContact O-CB 3.34Å; V193-T197 PolarHBondContact O-N 3.24Å; V193-T197 PolarHBondContact O-OG1 3.36Å; A194-T197 PolarHBondContact O-N 3.05Å; I195-T197 VanDerWaalsContact C-N 3.32Å; I195-T197 PolarHBondContact O-N 3.18Å; T197-T200 PolarHBondContact O-N 3.39Å; T197-Y201 VanDerWaalsContact O-CB 3.29Å; T197-Y201 WeakPolarHBondContact O-CB 3.29Å; T197-Y201 PolarHBondContact O-N 3.19Å
198F98.5Very high97.3Very high0 Ų057.1 Ų57.10%027%0.269CS..Hα-helixtrans-57.2-52.1178.8-179.7-89.6000112.3L178 V182 A194 I195 T202 F214 L220 L223 W224 M227L178-F198 HydrophobicContact CD2-CD2 3.67Å; L178-F198 HydrophobicContact CD2-CE2 4.1Å; L178-F198 HydrophobicContact CD2-CG 4.35Å; L178-F198 HydrophobicContact CG-CD2 4.39Å; V182-F198 HydrophobicContact CG2-CB 4.17Å; V182-F198 HydrophobicContact CG2-CD2 4.4Å; A194-F198 WeakPolarHBondContact O-CB 3.22Å; A194-F198 PolarHBondContact O-N 3Å; I195-F198 WeakPolarHBondContact O-CB 3.22Å; I195-F198 PolarHBondContact O-N 3.42Å; F198-T202 HydrophobicContact CD1-CG2 4.43Å; F198-T202 HydrophobicContact CE1-CG2 4.15Å; F198-T202 HydrophobicContact CE2-CG2 4.24Å; F198-T202 HydrophobicContact CZ-CG2 4.04Å; F198-T202 WeakPolarHBondContact O-CB 3.21Å; F198-T202 VanDerWaalsContact O-CG2 3.31Å; F198-T202 WeakPolarHBondContact O-CG2 3.42Å; F198-T202 PolarHBondContact O-N 2.67Å; F198-T202 PolarHBondContact O-OG1 2.81Å; F198-F214 HydrophobicContact CE1-CE2 4.22Å; F198-F214 HydrophobicContact CE1-CZ 4.42Å; F198-F214 AromaticContact CZ-CE2 3.68Å; F198-F214 HydrophobicContact CZ-CE2 3.68Å; F198-F214 HydrophobicContact CZ-CZ 4.18Å; F198-L220 HydrophobicContact CE2-CB 4.45Å; F198-L223 HydrophobicContact CD2-CB 4.18Å; F198-L223 HydrophobicContact CD2-CD1 4.46Å; F198-L223 HydrophobicContact CE2-CB 3.92Å; F198-L223 HydrophobicContact CE2-CD1 4.41Å; F198-W224 HydrophobicContact CE1-CB 4.23Å; F198-W224 HydrophobicContact CE2-CB 4.41Å; F198-W224 HydrophobicContact CZ-CB 3.76Å; F198-W224 HydrophobicContact CZ-CG 4.49Å; F198-M227 HydrophobicContact CB-CE 3.57Å; F198-M227 HydrophobicContact CB-SD 4.22Å; F198-M227 HydrophobicContact CD1-CE 3.76Å; F198-M227 HydrophobicContact CD2-CE 3.62Å; F198-M227 HydrophobicContact CE1-CE 4.35Å; F198-M227 HydrophobicContact CE2-CE 4.23Å; F198-M227 HydrophobicContact CG-CE 3.36Å
199Y98.1Very high97.1Very high68 Ų6854.8 Ų54.827%0.26726%0.257SS..Hα-helixtrans-70.9-35.3-178.6-75.1-62.7000112.8I195 T202 R203I195-Y199 HydrophobicContact CG2-CD2 3.7Å; I195-Y199 HydrophobicContact CG2-CE2 3.72Å; I195-Y199 WeakPolarHBondContact O-CD2 3.18Å; I195-Y199 PolarHBondContact O-N 2.89Å; Y199-T202 WeakPolarHBondContact CA-OG1 3.31Å; Y199-T202 PolarHBondContact O-OG1 3.08Å; Y199-R203 WeakPolarHBondContact O-CB 3.39Å; Y199-R203 WeakPolarHBondContact O-CG 3.48Å; Y199-R203 PolarHBondContact O-N 2.84Å
200T98.1Very high96.5Very high12 Ų1253.5 Ų53.57%0.07426%0.263CS..Hα-helixtrans-64.7-47.3176.1-57.10000110.7Y155 V159 L196 T197 R204Y155-T200 HydrophobicContact CD2-CG2 3.61Å; Y155-T200 HydrophobicContact CE2-CG2 3.96Å; Y155-T200 HydrophobicContact CG-CG2 4.37Å; Y155-T200 WeakPolarHBondContact O-CG2 3.37Å; V159-T200 HydrophobicContact CG2-CG2 3.9Å; L196-T200 WeakPolarHBondContact O-CB 3.33Å; L196-T200 PolarHBondContact O-N 2.66Å; L196-T200 PolarHBondContact O-OG1 3Å; T197-T200 PolarHBondContact O-N 3.39Å; T200-R204 VanDerWaalsContact O-CB 3.27Å; T200-R204 WeakPolarHBondContact O-CB 3.33Å; T200-R204 VanDerWaalsContact O-CG 3.27Å; T200-R204 WeakPolarHBondContact O-CG 3.41Å; T200-R204 PolarHBondContact O-N 2.96Å; T200-R204 VanDerWaalsContact O-N 3.13Å
201Y98.3Very high96.1Very high0 Ų052.4 Ų52.40%026%0.264CS..Hα-helixtrans-62.3-54.6177.9-174.7-90.4000111.7L161 V162 I174 L178 T197 R203 R204 H205 L208L161-Y201 HydrophobicContact CB-CD2 3.52Å; L161-Y201 HydrophobicContact CB-CE2 3.66Å; V162-Y201 HydrophobicContact CB-CD2 4.42Å; V162-Y201 HydrophobicContact CB-CE2 4.49Å; V162-Y201 HydrophobicContact CG2-CD2 3.47Å; V162-Y201 VanDerWaalsContact CG2-CD2 3.47Å; V162-Y201 HydrophobicContact CG2-CE2 3.86Å; V162-Y201 HydrophobicContact CG2-CG 4.02Å; I174-Y201 WeakPolarHBondContact O-CE1 3.21Å; I174-Y201 PolarHBondContact O-OH 3.42Å; L178-Y201 HydrophobicContact CB-CD1 3.8Å; L178-Y201 HydrophobicContact CB-CE1 3.86Å; L178-Y201 HydrophobicContact CB-CG 4.18Å; L178-Y201 HydrophobicContact CD1-CD1 4.28Å; L178-Y201 HydrophobicContact CD1-CG 4.01Å; L178-Y201 HydrophobicContact CD2-CD1 3.5Å; L178-Y201 VanDerWaalsContact CD2-CD1 3.5Å; L178-Y201 HydrophobicContact CD2-CE1 4.23Å; L178-Y201 HydrophobicContact CD2-CG 4.04Å; L178-Y201 HydrophobicContact CG-CD1 4.04Å; L178-Y201 HydrophobicContact CG-CG 4.28Å; T197-Y201 VanDerWaalsContact O-CB 3.29Å; T197-Y201 WeakPolarHBondContact O-CB 3.29Å; T197-Y201 PolarHBondContact O-N 3.19Å; Y201-R203 VanDerWaalsContact C-N 3.34Å; Y201-R203 PolarHBondContact O-N 3.48Å; Y201-R204 PolarHBondContact O-N 3.28Å; Y201-H205 AromaticContact CZ-CD2 3.81Å; Y201-H205 VanDerWaalsContact O-CB 3.23Å; Y201-H205 WeakPolarHBondContact O-CB 3.35Å; Y201-H205 PolarHBondContact O-N 2.96Å; Y201-L208 HydrophobicContact CD1-CD1 4Å; Y201-L208 HydrophobicContact CE1-CD1 3.85Å
202T97.8Very high95.9Very high1 Ų152.4 Ų52.41%0.00627%0.267CS..Hα-helixtrans-62.9-37.8-174.951.20000113.2L178 F198 Y199 L208 F214 L220L178-T202 HydrophobicContact CD2-CG2 3.84Å; F198-T202 HydrophobicContact CD1-CG2 4.43Å; F198-T202 HydrophobicContact CE1-CG2 4.15Å; F198-T202 HydrophobicContact CE2-CG2 4.24Å; F198-T202 HydrophobicContact CZ-CG2 4.04Å; F198-T202 WeakPolarHBondContact O-CB 3.21Å; F198-T202 VanDerWaalsContact O-CG2 3.31Å; F198-T202 WeakPolarHBondContact O-CG2 3.42Å; F198-T202 PolarHBondContact O-N 2.67Å; F198-T202 PolarHBondContact O-OG1 2.81Å; Y199-T202 WeakPolarHBondContact CA-OG1 3.31Å; Y199-T202 PolarHBondContact O-OG1 3.08Å; T202-L208 HydrophobicContact CG2-CD1 4.18Å; T202-F214 HydrophobicContact CG2-CE1 3.85Å; T202-F214 HydrophobicContact CG2-CE2 4.3Å; T202-F214 HydrophobicContact CG2-CZ 3.5Å; T202-L220 HydrophobicContact CG2-CD1 4.39Å
203R97.1Very high95.7Very high176 Ų17652.8 Ų52.866%0.66427%0.267SS*.Hα-helixtrans-79.5-25.4179.8-66.8176.1174.4-179-0.1114.2Y199 Y201Y199-R203 WeakPolarHBondContact O-CB 3.39Å; Y199-R203 WeakPolarHBondContact O-CG 3.48Å; Y199-R203 PolarHBondContact O-N 2.84Å; Y201-R203 VanDerWaalsContact C-N 3.34Å; Y201-R203 PolarHBondContact O-N 3.48Å
204R96.7Very high95.6Very high136 Ų13651.8 Ų51.851%0.51326%0.261SS..Hα-helixtrans-96-16.5-179.5-63.9-16878.7951.2113.4V162 T200 Y201 P206V162-R204 HydrophobicContact CG2-CB 4.39Å; T200-R204 VanDerWaalsContact O-CB 3.27Å; T200-R204 WeakPolarHBondContact O-CB 3.33Å; T200-R204 VanDerWaalsContact O-CG 3.27Å; T200-R204 WeakPolarHBondContact O-CG 3.41Å; T200-R204 PolarHBondContact O-N 2.96Å; T200-R204 VanDerWaalsContact O-N 3.13Å; Y201-R204 PolarHBondContact O-N 3.28Å; R204-P206 WeakPolarHBondContact O-CD 3.49Å
205H97.3Very high95.3Very high5 Ų555.6 Ų55.62%0.02329%0.293CS..  trans-75.4119.7-178.8-163-70.6000111V162 H165 I174 Y201 R207 L208V162-H205 HydrophobicContact CG2-CB 4.19Å; H165-H205 AromaticContact CE1-NE2 3.65Å; H165-H205 AromaticContact CG-NE2 3.83Å; H165-H205 AromaticContact ND1-CE1 3.68Å; H165-H205 AromaticContact ND1-NE2 2.93Å; H165-H205 PolarHBondContact ND1-NE2 3.44Å; I174-H205 WeakPolarHBondContact CD1-CE1 3.43Å; I174-H205 WeakPolarHBondContact CD1-ND1 3.38Å; Y201-H205 AromaticContact CZ-CD2 3.81Å; Y201-H205 VanDerWaalsContact O-CB 3.23Å; Y201-H205 WeakPolarHBondContact O-CB 3.35Å; Y201-H205 PolarHBondContact O-N 2.96Å; H205-R207 PolarHBondContact ND1-N 2.9Å; H205-R207 PolarHBondContact O-N 2.71Å; H205-L208 HydrophobicContact CB-CB 4.3Å; H205-L208 HydrophobicContact CB-CD1 3.8Å; H205-L208 HydrophobicContact CB-CG 3.96Å; H205-L208 PolarHBondContact O-N 3Å
206P95.6Very high95.1Very high92 Ų9259.9 Ų59.960%0.59732%0.315SS*.THydrogen-bonded Turntrans-70.2-7.7-170.929.5-38.2000114.8R204R204-P206 WeakPolarHBondContact O-CD 3.49Å
207R93.4Very high95Very high140 Ų14056.8 Ų56.853%0.52830%0.299SS..THydrogen-bonded Turntrans-111.27.6-179.2-56.3-179-180158.3-0113.9I174 H205I174-R207 HydrophobicContact CD1-CB 4Å; H205-R207 PolarHBondContact ND1-N 2.9Å; H205-R207 PolarHBondContact O-N 2.71Å
208L95.2Very high94.9Very high23 Ų2358.7 Ų58.712%0.1231%0.311CS..SBendtrans-108.7155.1177.9-68-178.1000111I174 Y201 T202 H205 F217 L220I174-L208 HydrophobicContact CD1-CD1 4.44Å; I174-L208 HydrophobicContact CD1-CD2 3.53Å; I174-L208 HydrophobicContact CD1-CG 3.76Å; I174-L208 HydrophobicContact CG1-CD2 4.11Å; I174-L208 HydrophobicContact CG1-CG 4.34Å; Y201-L208 HydrophobicContact CD1-CD1 4Å; Y201-L208 HydrophobicContact CE1-CD1 3.85Å; T202-L208 HydrophobicContact CG2-CD1 4.18Å; H205-L208 HydrophobicContact CB-CB 4.3Å; H205-L208 HydrophobicContact CB-CD1 3.8Å; H205-L208 HydrophobicContact CB-CG 3.96Å; H205-L208 PolarHBondContact O-N 3Å; L208-F217 HydrophobicContact CD2-CD2 3.33Å; L208-F217 HydrophobicContact CD2-CE2 3.46Å; L208-F217 VanDerWaalsContact CD2-CE2 3.46Å; L208-F217 HydrophobicContact CD2-CG 4.06Å; L208-F217 HydrophobicContact CD2-CZ 4.3Å; L208-L220 HydrophobicContact CD1-CD1 3.85Å; L208-L220 HydrophobicContact CD2-CD1 3.79Å; L208-L220 HydrophobicContact CG-CD1 4.48Å
209E91.1Very high94.9Very high45 Ų4558.7 Ų58.721%0.2131%0.311CS..  trans-61.2149.2167.1-58.397143.200110.6G211 F214 A215 D216E209-G211 PolarHBondContact O-N 3.26Å; E209-F214 HydrophobicContact CB-CD1 4.14Å; E209-F214 WeakPolarHBondContact O-CE1 3.47Å; E209-F214 WeakPolarHBondContact OE2-CD1 3.39Å; E209-A215 PolarHBondContact OE1-N 3.42Å; E209-D216 PolarHBondContact OE1-N 3.38Å
210P84.2Confident94.9Very high119 Ų11955.5 Ų55.577%0.77330%0.298SS*.SBendtrans-63.6-11.9-176.125.6-35.7000114
211G89Confident94.9Very high22 Ų2255.6 Ų55.623%0.22730%0.299CS..SBendtrans-177.7176.317600000112.2E209E209-G211 PolarHBondContact O-N 3.26Å
212P92.3Very high94.9Very high39 Ų3955.6 Ų55.625%0.25330%0.299SS..SBendtrans-66.3152.417826.9-33000111.9F214 W224P212-F214 HydrophobicContact CB-CD2 4.13Å; P212-F214 HydrophobicContact CB-CE2 3.76Å; P212-F214 HydrophobicContact CG-CE2 4.35Å; P212-W224 HydrophobicContact CB-CD2 3.58Å; P212-W224 HydrophobicContact CB-CE3 3.61Å; P212-W224 HydrophobicContact CB-CG 4.08Å; P212-W224 HydrophobicContact CB-CH2 4.17Å; P212-W224 HydrophobicContact CB-CZ2 4.16Å; P212-W224 HydrophobicContact CB-CZ3 3.9Å; P212-W224 HydrophobicContact CG-CD2 3.64Å; P212-W224 VanDerWaalsContact CG-CE2 3.42Å; P212-W224 HydrophobicContact CG-CE3 4.15Å; P212-W224 HydrophobicContact CG-CG 4Å; P212-W224 HydrophobicContact CG-CH2 4.23Å; P212-W224 HydrophobicContact CG-CZ2 3.75Å; P212-W224 HydrophobicContact CG-CZ3 4.41Å
213P93.8Very high94.9Very high100 Ų10055.6 Ų55.665%0.64930%0.299SS*.  cis-78.9139.5-1.932.1-33.8000112.5A215 N221P213-A215 PolarHBondContact O-N 2.87Å; P213-N221 VanDerWaalsContact CA-OD1 3.3Å; P213-N221 WeakPolarHBondContact CA-OD1 3.43Å
214F95.9Very high95Very high0 Ų049.8 Ų49.80%028%0.277CS..  trans-85.3104.7174-55-87.1000108.7F198 T202 E209 P212 F217 L220 N221F198-F214 HydrophobicContact CE1-CE2 4.22Å; F198-F214 HydrophobicContact CE1-CZ 4.42Å; F198-F214 AromaticContact CZ-CE2 3.68Å; F198-F214 HydrophobicContact CZ-CE2 3.68Å; F198-F214 HydrophobicContact CZ-CZ 4.18Å; T202-F214 HydrophobicContact CG2-CE1 3.85Å; T202-F214 HydrophobicContact CG2-CE2 4.3Å; T202-F214 HydrophobicContact CG2-CZ 3.5Å; E209-F214 HydrophobicContact CB-CD1 4.14Å; E209-F214 WeakPolarHBondContact O-CE1 3.47Å; E209-F214 WeakPolarHBondContact OE2-CD1 3.39Å; P212-F214 HydrophobicContact CB-CD2 4.13Å; P212-F214 HydrophobicContact CB-CE2 3.76Å; P212-F214 HydrophobicContact CG-CE2 4.35Å; F214-F217 HydrophobicContact CB-CB 4.11Å; F214-L220 HydrophobicContact CB-CB 4.2Å; F214-L220 HydrophobicContact CB-CD1 4.42Å; F214-L220 HydrophobicContact CD1-CD1 3.96Å; F214-L220 HydrophobicContact CD2-CB 3.53Å; F214-L220 HydrophobicContact CD2-CD1 4.36Å; F214-L220 HydrophobicContact CE1-CD1 4.34Å; F214-L220 HydrophobicContact CE2-CB 4.08Å; F214-L220 HydrophobicContact CG-CB 3.85Å; F214-L220 HydrophobicContact CG-CD1 3.98Å; F214-N221 WeakPolarHBondContact CD2-OD1 3.46Å; F214-N221 PolarHBondContact N-OD1 2.91Å; F214-N221 PolarHBondContact O-ND2 3.45Å
215A93.5Very high95.1Very high81 Ų8146.9 Ų46.967%0.66927%0.268SS*.SBendtrans-66.6-43.1-173.400000111.3E209 P213E209-A215 PolarHBondContact OE1-N 3.42Å; P213-A215 PolarHBondContact O-N 2.87Å
216D93.4Very high95.2Very high115 Ų11546.6 Ų46.662%0.61527%0.267SS*.SBendtrans-83.8-14.6-177-69.2-24.1000113.1E209 P218E209-D216 PolarHBondContact OE1-N 3.38Å; D216-P218 WeakPolarHBondContact O-CD 3.49Å
217F96.3Very high95.3Very high18 Ų1842.5 Ų42.58%0.07924%0.239CC..  trans-127.674.1-174.7-57.6-71000112.7I174 D175 L208 F214 L219 L220I174-F217 HydrophobicContact CB-CE1 4.47Å; I174-F217 HydrophobicContact CD1-CZ 4.29Å; I174-F217 HydrophobicContact CG2-CD1 3.5Å; I174-F217 HydrophobicContact CG2-CE1 2.97Å; I174-F217 HydrophobicContact CG2-CE2 4.22Å; I174-F217 HydrophobicContact CG2-CG 4.33Å; I174-F217 HydrophobicContact CG2-CZ 3.39Å; D175-F217 HydrophobicContact CB-CB 4.33Å; D175-F217 HydrophobicContact CB-CD1 4.16Å; L208-F217 HydrophobicContact CD2-CD2 3.33Å; L208-F217 HydrophobicContact CD2-CE2 3.46Å; L208-F217 VanDerWaalsContact CD2-CE2 3.46Å; L208-F217 HydrophobicContact CD2-CG 4.06Å; L208-F217 HydrophobicContact CD2-CZ 4.3Å; F214-F217 HydrophobicContact CB-CB 4.11Å; F217-L219 PolarHBondContact O-N 2.99Å; F217-L219 VanDerWaalsContact O-N 3.11Å; F217-L220 HydrophobicContact CB-CB 4.3Å; F217-L220 HydrophobicContact CB-CD1 3.69Å; F217-L220 HydrophobicContact CB-CG 3.82Å; F217-L220 HydrophobicContact CG-CD1 4.23Å; F217-L220 WeakPolarHBondContact O-CB 3.33Å; F217-L220 PolarHBondContact O-N 3.27Å
218P97.1Very high95.5Very high41 Ų4138.4 Ų38.427%0.26623%0.228SC..Hα-helixtrans-60.7-25-178.6-21.231.4000114D216 L220 N221 F222 Y246 Q249D216-P218 WeakPolarHBondContact O-CD 3.49Å; P218-L220 VanDerWaalsContact C-N 3.29Å; P218-L220 PolarHBondContact O-N 3.47Å; P218-N221 WeakPolarHBondContact O-CB 3.17Å; P218-N221 PolarHBondContact O-N 3.27Å; P218-F222 PolarHBondContact O-N 2.97Å; P218-Y246 HydrophobicContact CB-CD1 4.21Å; P218-Y246 HydrophobicContact CB-CE1 3.97Å; P218-Y246 VanDerWaalsContact O-CD1 3.29Å; P218-Y246 WeakPolarHBondContact O-CD1 3.15Å; P218-Y246 WeakPolarHBondContact O-CE1 3.29Å; P218-Q249 HydrophobicContact CB-CG 3.98Å
219L98.1Very high95.7Very high0 Ų037.5 Ų37.50%022%0.224CC..Hα-helixtrans-62.4-36.7173.9-174.156.2000111.8D175 L176 A179 F217 N221 F222 L223 Q249 L250 Y256D175-L219 HydrophobicContact CB-CB 4.26Å; D175-L219 HydrophobicContact CB-CD2 4.38Å; D175-L219 WeakPolarHBondContact OD2-CB 3.45Å; L176-L219 HydrophobicContact CD2-CD2 3.79Å; A179-L219 HydrophobicContact CB-CD1 4.46Å; A179-L219 HydrophobicContact CB-CD2 3.61Å; A179-L219 HydrophobicContact CB-CG 3.97Å; F217-L219 PolarHBondContact O-N 2.99Å; F217-L219 VanDerWaalsContact O-N 3.11Å; L219-N221 VanDerWaalsContact C-N 3.32Å; L219-N221 PolarHBondContact O-N 3.44Å; L219-F222 HydrophobicContact CD1-CD1 4.34Å; L219-F222 WeakPolarHBondContact O-CB 3.34Å; L219-F222 PolarHBondContact O-N 2.69Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 3.4Å; L219-Q249 HydrophobicContact CB-CB 4Å; L219-Q249 HydrophobicContact CB-CG 4.39Å; L219-Q249 HydrophobicContact CD1-CB 4.09Å; L219-L250 HydrophobicContact CD1-CD2 4.07Å; L219-Y256 HydrophobicContact CD2-CE2 4.03Å
220L98.2Very high96Very high0 Ų036 Ų360%022%0.217CC..Hα-helixtrans-66.4-36.5175.9-61.1-177.4000111.5D175 L178 F198 T202 L208 F214 F217 P218 F222 L223 W224D175-L220 HydrophobicContact CB-CD1 4.37Å; D175-L220 HydrophobicContact CB-CD2 3.74Å; D175-L220 HydrophobicContact CB-CG 3.76Å; L178-L220 HydrophobicContact CB-CD2 4.35Å; L178-L220 HydrophobicContact CD2-CD2 3.67Å; L178-L220 HydrophobicContact CG-CD2 4.39Å; F198-L220 HydrophobicContact CE2-CB 4.45Å; T202-L220 HydrophobicContact CG2-CD1 4.39Å; L208-L220 HydrophobicContact CD1-CD1 3.85Å; L208-L220 HydrophobicContact CD2-CD1 3.79Å; L208-L220 HydrophobicContact CG-CD1 4.48Å; F214-L220 HydrophobicContact CB-CB 4.2Å; F214-L220 HydrophobicContact CB-CD1 4.42Å; F214-L220 HydrophobicContact CD1-CD1 3.96Å; F214-L220 HydrophobicContact CD2-CB 3.53Å; F214-L220 HydrophobicContact CD2-CD1 4.36Å; F214-L220 HydrophobicContact CE1-CD1 4.34Å; F214-L220 HydrophobicContact CE2-CB 4.08Å; F214-L220 HydrophobicContact CG-CB 3.85Å; F214-L220 HydrophobicContact CG-CD1 3.98Å; F217-L220 HydrophobicContact CB-CB 4.3Å; F217-L220 HydrophobicContact CB-CD1 3.69Å; F217-L220 HydrophobicContact CB-CG 3.82Å; F217-L220 HydrophobicContact CG-CD1 4.23Å; F217-L220 WeakPolarHBondContact O-CB 3.33Å; F217-L220 PolarHBondContact O-N 3.27Å; P218-L220 VanDerWaalsContact C-N 3.29Å; P218-L220 PolarHBondContact O-N 3.47Å; L220-F222 VanDerWaalsContact C-N 3.34Å; L220-L223 HydrophobicContact CD2-CD1 4.12Å; L220-L223 PolarHBondContact O-N 2.74Å; L220-W224 WeakPolarHBondContact O-CB 3.26Å; L220-W224 PolarHBondContact O-N 3.47Å
221N98.3Very high96.7Very high15 Ų1535.5 Ų35.58%0.0820%0.204CC..Hα-helixtrans-64.2-39.8172.8-64.1-39.6000111.7P213 F214 P218 L219 W224 F225 Y246P213-N221 VanDerWaalsContact CA-OD1 3.3Å; P213-N221 WeakPolarHBondContact CA-OD1 3.43Å; F214-N221 WeakPolarHBondContact CD2-OD1 3.46Å; F214-N221 PolarHBondContact N-OD1 2.91Å; F214-N221 PolarHBondContact O-ND2 3.45Å; P218-N221 WeakPolarHBondContact O-CB 3.17Å; P218-N221 PolarHBondContact O-N 3.27Å; L219-N221 VanDerWaalsContact C-N 3.32Å; L219-N221 PolarHBondContact O-N 3.44Å; N221-W224 PolarHBondContact O-N 3.47Å; N221-F225 HydrophobicContact CB-CE2 4.43Å; N221-F225 WeakPolarHBondContact O-CD2 3.44Å; N221-F225 PolarHBondContact O-N 3.46Å; N221-Y246 HydrophobicContact CB-CE1 4.11Å; N221-Y246 WeakPolarHBondContact CB-OH 3.32Å
222F98.6Very high97.1Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-57.1-51.3172.9170.3-96.7000111.3P218 L219 L220 W224 F225 L226 L242 Y246 L250 L260P218-F222 PolarHBondContact O-N 2.97Å; L219-F222 HydrophobicContact CD1-CD1 4.34Å; L219-F222 WeakPolarHBondContact O-CB 3.34Å; L219-F222 PolarHBondContact O-N 2.69Å; L220-F222 VanDerWaalsContact C-N 3.34Å; F222-W224 VanDerWaalsContact C-N 3.31Å; F222-W224 PolarHBondContact O-N 3.05Å; F222-F225 PolarHBondContact O-N 2.97Å; F222-L226 HydrophobicContact CE1-CB 4.44Å; F222-L226 HydrophobicContact CE1-CD2 3.82Å; F222-L226 HydrophobicContact CZ-CB 4.45Å; F222-L226 HydrophobicContact CZ-CD2 4Å; F222-L226 VanDerWaalsContact O-CB 3.26Å; F222-L226 WeakPolarHBondContact O-CB 3.45Å; F222-L226 PolarHBondContact O-N 2.97Å; F222-L242 HydrophobicContact CD2-CB 4.29Å; F222-L242 HydrophobicContact CE2-CB 4.06Å; F222-Y246 HydrophobicContact CB-CD1 3.85Å; F222-Y246 HydrophobicContact CB-CD2 3.91Å; F222-Y246 HydrophobicContact CB-CE1 4.34Å; F222-Y246 HydrophobicContact CB-CE2 4.39Å; F222-Y246 HydrophobicContact CB-CG 3.61Å; F222-Y246 AromaticContact CD2-CD2 3.82Å; F222-Y246 HydrophobicContact CD2-CD2 3.82Å; F222-Y246 AromaticContact CD2-CG 3.95Å; F222-Y246 HydrophobicContact CD2-CG 3.95Å; F222-Y246 HydrophobicContact CG-CD2 4.36Å; F222-Y246 HydrophobicContact CG-CG 4.2Å; F222-L250 HydrophobicContact CD1-CD2 3.79Å; F222-L250 HydrophobicContact CD2-CD1 4.34Å; F222-L250 HydrophobicContact CE1-CD1 4.49Å; F222-L250 HydrophobicContact CE1-CD2 3.59Å; F222-L250 HydrophobicContact CE2-CD1 3.93Å; F222-L250 HydrophobicContact CE2-CD2 4.46Å; F222-L250 HydrophobicContact CG-CD2 4.33Å; F222-L250 HydrophobicContact CZ-CD1 4.02Å; F222-L250 HydrophobicContact CZ-CD2 3.95Å; F222-L260 HydrophobicContact CE1-CD2 3.97Å; F222-L260 HydrophobicContact CZ-CD1 4.09Å; F222-L260 HydrophobicContact CZ-CD2 3.61Å
223L98.7Very high97.3Very high0 Ų049 Ų490%025%0.253CS..Hα-helixtrans-59.4-43.1179.2-61.7172.3000111.7L178 A179 V182 L183 F198 L219 L220 L226 M227L178-L223 HydrophobicContact CG-CD1 4.38Å; A179-L223 VanDerWaalsContact CA-CD1 3.46Å; A179-L223 HydrophobicContact CB-CD1 3.85Å; A179-L223 HydrophobicContact CB-CD2 4.25Å; A179-L223 HydrophobicContact CB-CG 4.46Å; V182-L223 HydrophobicContact CB-CD1 4.44Å; V182-L223 HydrophobicContact CB-CD2 4.29Å; V182-L223 HydrophobicContact CG1-CB 4.43Å; V182-L223 HydrophobicContact CG1-CD2 4.05Å; L183-L223 HydrophobicContact CD2-CD2 4.16Å; L183-L223 HydrophobicContact CG-CD2 4.1Å; F198-L223 HydrophobicContact CD2-CB 4.18Å; F198-L223 HydrophobicContact CD2-CD1 4.46Å; F198-L223 HydrophobicContact CE2-CB 3.92Å; F198-L223 HydrophobicContact CE2-CD1 4.41Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 3.4Å; L220-L223 HydrophobicContact CD2-CD1 4.12Å; L220-L223 PolarHBondContact O-N 2.74Å; L223-L226 PolarHBondContact O-N 3.43Å; L223-M227 WeakPolarHBondContact O-CG 3.35Å; L223-M227 PolarHBondContact O-N 3.21Å
224W98.4Very high97.5Very high54 Ų5446.3 Ų46.321%0.20524%0.236CC..Hα-helixtrans-59.9-51.7177.3177.457.3000111.9F198 P212 L220 N221 F222 L226 M227 L228F198-W224 HydrophobicContact CE1-CB 4.23Å; F198-W224 HydrophobicContact CE2-CB 4.41Å; F198-W224 HydrophobicContact CZ-CB 3.76Å; F198-W224 HydrophobicContact CZ-CG 4.49Å; P212-W224 HydrophobicContact CB-CD2 3.58Å; P212-W224 HydrophobicContact CB-CE3 3.61Å; P212-W224 HydrophobicContact CB-CG 4.08Å; P212-W224 HydrophobicContact CB-CH2 4.17Å; P212-W224 HydrophobicContact CB-CZ2 4.16Å; P212-W224 HydrophobicContact CB-CZ3 3.9Å; P212-W224 HydrophobicContact CG-CD2 3.64Å; P212-W224 VanDerWaalsContact CG-CE2 3.42Å; P212-W224 HydrophobicContact CG-CE3 4.15Å; P212-W224 HydrophobicContact CG-CG 4Å; P212-W224 HydrophobicContact CG-CH2 4.23Å; P212-W224 HydrophobicContact CG-CZ2 3.75Å; P212-W224 HydrophobicContact CG-CZ3 4.41Å; L220-W224 WeakPolarHBondContact O-CB 3.26Å; L220-W224 PolarHBondContact O-N 3.47Å; N221-W224 PolarHBondContact O-N 3.47Å; F222-W224 VanDerWaalsContact C-N 3.31Å; F222-W224 PolarHBondContact O-N 3.05Å; W224-L226 VanDerWaalsContact C-N 3.32Å; W224-L226 PolarHBondContact O-N 3.11Å; W224-M227 PolarHBondContact O-N 2.83Å; W224-L228 HydrophobicContact CD2-CD1 4Å; W224-L228 HydrophobicContact CG-CD1 4.44Å; W224-L228 HydrophobicContact CH2-CD1 4.36Å; W224-L228 HydrophobicContact CZ2-CD1 3.74Å; W224-L228 WeakPolarHBondContact O-CG 3.36Å; W224-L228 PolarHBondContact O-N 2.98Å
225F98.5Very high97.5Very high75 Ų7549.6 Ų49.633%0.32926%0.259SS..Hα-helixtrans-64.6-35.2176.8-72.9-53.8000112.8N221 F222 L228 A229 L242 Y246N221-F225 HydrophobicContact CB-CE2 4.43Å; N221-F225 WeakPolarHBondContact O-CD2 3.44Å; N221-F225 PolarHBondContact O-N 3.46Å; F222-F225 PolarHBondContact O-N 2.97Å; F225-L228 HydrophobicContact CD1-CD1 4.33Å; F225-L228 PolarHBondContact O-N 3.29Å; F225-A229 VanDerWaalsContact O-CB 3.29Å; F225-A229 WeakPolarHBondContact O-CB 3.37Å; F225-A229 PolarHBondContact O-N 3.42Å; F225-L242 HydrophobicContact CB-CD1 3.94Å; F225-L242 HydrophobicContact CB-CD2 3.65Å; F225-L242 HydrophobicContact CB-CG 4.47Å; F225-L242 HydrophobicContact CD2-CD2 4.33Å; F225-L242 HydrophobicContact CG-CD2 4.17Å; F225-Y246 HydrophobicContact CD2-CE2 4.26Å
226L98.7Very high97.6Very high0 Ų049.2 Ų49.20%025%0.245CC..Hα-helixtrans-62-49176.4176.261.5000111.2L183 L186 F222 L223 W224 A229 I230 F239 L260 I263 F268L183-L226 HydrophobicContact CD2-CD2 3.85Å; L186-L226 HydrophobicContact CD1-CD2 3.76Å; L186-L226 HydrophobicContact CD1-CG 4.15Å; F222-L226 HydrophobicContact CE1-CB 4.44Å; F222-L226 HydrophobicContact CE1-CD2 3.82Å; F222-L226 HydrophobicContact CZ-CB 4.45Å; F222-L226 HydrophobicContact CZ-CD2 4Å; F222-L226 VanDerWaalsContact O-CB 3.26Å; F222-L226 WeakPolarHBondContact O-CB 3.45Å; F222-L226 PolarHBondContact O-N 2.97Å; L223-L226 PolarHBondContact O-N 3.43Å; W224-L226 VanDerWaalsContact C-N 3.32Å; W224-L226 PolarHBondContact O-N 3.11Å; L226-A229 PolarHBondContact O-N 3.48Å; L226-I230 HydrophobicContact CD1-CD1 4.26Å; L226-I230 HydrophobicContact CG-CD1 4.25Å; L226-I230 WeakPolarHBondContact O-CG1 3.37Å; L226-I230 PolarHBondContact O-N 3.14Å; L226-F239 HydrophobicContact CD1-CD2 3.67Å; L226-F239 HydrophobicContact CD1-CE2 3.68Å; L226-L260 HydrophobicContact CD2-CD2 4.08Å; L226-I263 HydrophobicContact CD1-CG2 4.21Å; L226-I263 HydrophobicContact CD2-CD1 4.42Å; L226-F268 HydrophobicContact CD1-CE2 4.11Å; L226-F268 HydrophobicContact CD1-CZ 4.36Å
227M98.5Very high97.8Very high5 Ų546.8 Ų46.83%0.02524%0.241CC..Hα-helixtrans-63.4-41.8177.2-67.8-176.2-63.400111.5V182 L186 I191 A194 I195 F198 L223 W224 A229 I230 E231V182-M227 HydrophobicContact CG1-CG 4.35Å; V182-M227 HydrophobicContact CG1-SD 3.95Å; L186-M227 HydrophobicContact CD1-CG 4.46Å; I191-M227 HydrophobicContact CD1-CB 4.44Å; I191-M227 HydrophobicContact CD1-CG 4.39Å; A194-M227 HydrophobicContact CB-SD 4.26Å; I195-M227 HydrophobicContact CB-SD 4.38Å; I195-M227 HydrophobicContact CG1-CB 4.25Å; I195-M227 HydrophobicContact CG1-CG 4.37Å; I195-M227 HydrophobicContact CG1-SD 3.67Å; F198-M227 HydrophobicContact CB-CE 3.57Å; F198-M227 HydrophobicContact CB-SD 4.22Å; F198-M227 HydrophobicContact CD1-CE 3.76Å; F198-M227 HydrophobicContact CD2-CE 3.62Å; F198-M227 HydrophobicContact CE1-CE 4.35Å; F198-M227 HydrophobicContact CE2-CE 4.23Å; F198-M227 HydrophobicContact CG-CE 3.36Å; L223-M227 WeakPolarHBondContact O-CG 3.35Å; L223-M227 PolarHBondContact O-N 3.21Å; W224-M227 PolarHBondContact O-N 2.83Å; M227-A229 VanDerWaalsContact C-N 3.35Å; M227-A229 PolarHBondContact O-N 3.39Å; M227-I230 PolarHBondContact O-N 2.96Å; M227-E231 WeakPolarHBondContact O-CG 3.49Å; M227-E231 PolarHBondContact O-N 3.02Å
228L98.1Very high97.8Very high54 Ų5448.8 Ų48.828%0.28326%0.255SS..Hα-helixtrans-59.7-43.7173.6-73.7176.1000112.2W224 F225 I230 E231 K232W224-L228 HydrophobicContact CD2-CD1 4Å; W224-L228 HydrophobicContact CG-CD1 4.44Å; W224-L228 HydrophobicContact CH2-CD1 4.36Å; W224-L228 HydrophobicContact CZ2-CD1 3.74Å; W224-L228 WeakPolarHBondContact O-CG 3.36Å; W224-L228 PolarHBondContact O-N 2.98Å; F225-L228 HydrophobicContact CD1-CD1 4.33Å; F225-L228 PolarHBondContact O-N 3.29Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.13Å; L228-E231 PolarHBondContact O-N 3.29Å; L228-K232 VanDerWaalsContact O-CB 3.3Å; L228-K232 WeakPolarHBondContact O-CB 3.46Å; L228-K232 VanDerWaalsContact O-CG 3.26Å; L228-K232 WeakPolarHBondContact O-CG 3.28Å; L228-K232 PolarHBondContact O-N 2.96Å
229A98.4Very high97.8Very high4 Ų447.5 Ų47.53%0.03325%0.245CC..Hα-helixtrans-62.3-37177.900000111.8F225 L226 M227 K233 C234 V238 L242 F268F225-A229 VanDerWaalsContact O-CB 3.29Å; F225-A229 WeakPolarHBondContact O-CB 3.37Å; F225-A229 PolarHBondContact O-N 3.42Å; L226-A229 PolarHBondContact O-N 3.48Å; M227-A229 VanDerWaalsContact C-N 3.35Å; M227-A229 PolarHBondContact O-N 3.39Å; A229-K233 PolarHBondContact O-N 3.36Å; A229-C234 HydrophobicContact CB-CB 4.05Å; A229-C234 PolarHBondContact O-N 3.29Å; A229-V238 HydrophobicContact CB-CG1 4.44Å; A229-L242 HydrophobicContact CB-CD1 4.22Å; A229-F268 HydrophobicContact CB-CE1 4.25Å; A229-F268 HydrophobicContact CB-CZ 4.06Å
230I98.4Very high97.8Very high14 Ų1450.2 Ų50.27%0.07226%0.264CS..Hα-helixtrans-67.7-51.6174.9-68.9169.6000111L186 I191 L226 M227 L228 K232 K233 I263 Y267 F268L186-I230 HydrophobicContact CD1-CD1 3.99Å; L186-I230 HydrophobicContact CD2-CD1 3.81Å; L186-I230 HydrophobicContact CG-CD1 4.42Å; I191-I230 HydrophobicContact CD1-CB 4.24Å; I191-I230 HydrophobicContact CD1-CD1 4.49Å; I191-I230 HydrophobicContact CD1-CG2 3.82Å; I191-I230 HydrophobicContact CG1-CG2 4.16Å; L226-I230 HydrophobicContact CD1-CD1 4.26Å; L226-I230 HydrophobicContact CG-CD1 4.25Å; L226-I230 WeakPolarHBondContact O-CG1 3.37Å; L226-I230 PolarHBondContact O-N 3.14Å; M227-I230 PolarHBondContact O-N 2.96Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.13Å; I230-K232 VanDerWaalsContact C-N 3.29Å; I230-K232 PolarHBondContact O-N 3.3Å; I230-K233 PolarHBondContact O-N 3.36Å; I230-I263 HydrophobicContact CD1-CG2 4.16Å; I230-Y267 HydrophobicContact CB-CD1 4.46Å; I230-Y267 HydrophobicContact CD1-CD2 3.93Å; I230-Y267 HydrophobicContact CD1-CE2 4.17Å; I230-Y267 HydrophobicContact CD1-CG 4.07Å; I230-Y267 HydrophobicContact CG1-CD1 4.32Å; I230-Y267 HydrophobicContact CG1-CD2 4.36Å; I230-Y267 HydrophobicContact CG1-CG 4Å; I230-Y267 HydrophobicContact CG2-CD1 3.42Å; I230-Y267 VanDerWaalsContact CG2-CD1 3.42Å; I230-Y267 HydrophobicContact CG2-CE1 3.58Å; I230-Y267 HydrophobicContact CG2-CG 4Å; I230-F268 HydrophobicContact CD1-CE2 4.49Å; I230-F268 HydrophobicContact CG1-CE2 3.86Å; I230-F268 HydrophobicContact CG1-CZ 3.74Å
231E97.6Very high97.8Very high109 Ų10954.4 Ų54.451%0.50929%0.289SS..Hα-helixtrans-61.4-37.7-179.2-72.6-169.2116.600112.5I191 I195 M227 L228 K233I191-E231 HydrophobicContact CG1-CG 4.32Å; I195-E231 HydrophobicContact CD1-CG 3.88Å; I195-E231 VanDerWaalsContact CD1-OE1 3.22Å; I195-E231 WeakPolarHBondContact CD1-OE1 3.49Å; M227-E231 WeakPolarHBondContact O-CG 3.49Å; M227-E231 PolarHBondContact O-N 3.02Å; L228-E231 PolarHBondContact O-N 3.29Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.23Å
232K97.8Very high97.8Very high157 Ų15754.7 Ų54.768%0.68329%0.291SS*.THydrogen-bonded Turntrans-84.21.1178.1-60.6-59.7-178.4-172.40113.7L228 I230 C234L228-K232 VanDerWaalsContact O-CB 3.3Å; L228-K232 WeakPolarHBondContact O-CB 3.46Å; L228-K232 VanDerWaalsContact O-CG 3.26Å; L228-K232 WeakPolarHBondContact O-CG 3.28Å; L228-K232 PolarHBondContact O-N 2.96Å; I230-K232 VanDerWaalsContact C-N 3.29Å; I230-K232 PolarHBondContact O-N 3.3Å; K232-C234 PolarHBondContact O-N 3.27Å
233K97.1Very high97.7Very high186 Ų18656 Ų5681%0.80930%0.3SS*.THydrogen-bonded Turntrans50.345.5-177.6-57.7-178.1-179.8178.70112.1A229 I230 E231A229-K233 PolarHBondContact O-N 3.36Å; I230-K233 PolarHBondContact O-N 3.36Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.23Å
234C97.6Very high97.6Very high45 Ų4563.3 Ų63.330%0.30433%0.334SS..  trans-63.6160.8178.3-67.90000111.6A229 K232 V238 F268A229-C234 HydrophobicContact CB-CB 4.05Å; A229-C234 PolarHBondContact O-N 3.29Å; K232-C234 PolarHBondContact O-N 3.27Å; C234-V238 HydrophobicContact CB-CB 3.99Å; C234-V238 HydrophobicContact CB-CG1 4.08Å; C234-V238 HydrophobicContact CB-CG2 4.16Å; C234-F268 WeakPolarHBondContact O-CD1 3.22Å
235S96.3Very high97.6Very high69 Ų6968 Ų6848%0.48336%0.355SS..  trans-71160.6-17966.60000112.4A237 V238 F239S235-A237 PolarHBondContact O-N 2.93Å; S235-V238 PolarHBondContact O-N 3.2Å; S235-F239 PolarHBondContact O-N 3.36Å
236L96.1Very high97.6Very high73 Ų7365.4 Ų65.438%0.38234%0.344SS..Hα-helixtrans-52.7-35.3171.4178.359.8000112.4V238 F239 S240 F268 V270L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 PolarHBondContact O-N 3.28Å; L236-F239 HydrophobicContact CD1-CD1 3.98Å; L236-F239 WeakPolarHBondContact O-CB 3.31Å; L236-F239 PolarHBondContact O-N 3.17Å; L236-S240 PolarHBondContact O-N 3.15Å; L236-S240 PolarHBondContact O-OG 3.02Å; L236-S240 VanDerWaalsContact O-OG 3.11Å; L236-F268 HydrophobicContact CB-CB 4.45Å; L236-F268 HydrophobicContact CD1-CB 3.87Å; L236-V270 HydrophobicContact CD1-CG2 3.52Å; L236-V270 HydrophobicContact CD2-CG2 4.44Å
237A96.8Very high97.5Very high63 Ų6367.4 Ų67.452%0.52136%0.358SS..Hα-helixtrans-60.8-40.6177.900000112.4S235 S240 V241S235-A237 PolarHBondContact O-N 2.93Å; A237-S240 PolarHBondContact O-N 3.42Å; A237-V241 VanDerWaalsContact O-CG2 3.31Å; A237-V241 WeakPolarHBondContact O-CG2 3.3Å; A237-V241 PolarHBondContact O-N 3.21Å
238V96.9Very high97.4Very high60 Ų6071.3 Ų71.336%0.36438%0.384SS..Hα-helixtrans-63.7-45.6176.3176.30000110.3A229 C234 S235 L236 V241 L242A229-V238 HydrophobicContact CB-CG1 4.44Å; C234-V238 HydrophobicContact CB-CB 3.99Å; C234-V238 HydrophobicContact CB-CG1 4.08Å; C234-V238 HydrophobicContact CB-CG2 4.16Å; S235-V238 PolarHBondContact O-N 3.2Å; L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 PolarHBondContact O-N 3.28Å; V238-V241 PolarHBondContact O-N 3.46Å; V238-L242 HydrophobicContact CG1-CD1 4.47Å; V238-L242 WeakPolarHBondContact O-CG 3.4Å; V238-L242 PolarHBondContact O-N 3.29Å
239F97.7Very high97.4Very high15 Ų1570.9 Ų70.97%0.06638%0.38CS..Hα-helixtrans-59.4-46.7176172.8-107.3000112.3L226 S235 L236 V241 L242 C243 L260 I263 F268L226-F239 HydrophobicContact CD1-CD2 3.67Å; L226-F239 HydrophobicContact CD1-CE2 3.68Å; S235-F239 PolarHBondContact O-N 3.36Å; L236-F239 HydrophobicContact CD1-CD1 3.98Å; L236-F239 WeakPolarHBondContact O-CB 3.31Å; L236-F239 PolarHBondContact O-N 3.17Å; F239-V241 PolarHBondContact O-N 3.37Å; F239-L242 WeakPolarHBondContact O-CB 3.44Å; F239-L242 PolarHBondContact O-N 2.86Å; F239-C243 VanDerWaalsContact CE2-SG 3.59Å; F239-C243 VanDerWaalsContact CZ-SG 3.56Å; F239-C243 PolarHBondContact O-N 2.92Å; F239-C243 PolarHBondContact O-SG 3.41Å; F239-L260 HydrophobicContact CE2-CD2 4.11Å; F239-L260 HydrophobicContact CZ-CB 4.28Å; F239-L260 HydrophobicContact CZ-CD2 4.28Å; F239-I263 HydrophobicContact CE2-CG2 4.3Å; F239-F268 HydrophobicContact CB-CD1 3.71Å; F239-F268 HydrophobicContact CB-CD2 3.95Å; F239-F268 HydrophobicContact CB-CE1 3.77Å; F239-F268 HydrophobicContact CB-CE2 4Å; F239-F268 HydrophobicContact CB-CG 3.79Å; F239-F268 HydrophobicContact CB-CZ 3.92Å; F239-F268 HydrophobicContact CD1-CD2 4.12Å; F239-F268 HydrophobicContact CD1-CG 4.32Å; F239-F268 AromaticContact CD2-CD2 3.74Å; F239-F268 HydrophobicContact CD2-CD2 3.74Å; F239-F268 AromaticContact CD2-CE2 3.45Å; F239-F268 HydrophobicContact CD2-CE2 3.45Å; F239-F268 VanDerWaalsContact CD2-CE2 3.45Å; F239-F268 HydrophobicContact CD2-CG 4.45Å; F239-F268 AromaticContact CD2-CZ 3.96Å; F239-F268 HydrophobicContact CD2-CZ 3.96Å; F239-F268 HydrophobicContact CE2-CD2 4.25Å; F239-F268 HydrophobicContact CE2-CE2 4.05Å; F239-F268 HydrophobicContact CG-CD1 4.34Å; F239-F268 AromaticContact CG-CD2 3.65Å; F239-F268 HydrophobicContact CG-CD2 3.65Å; F239-F268 HydrophobicContact CG-CE1 4.46Å; F239-F268 AromaticContact CG-CE2 3.79Å; F239-F268 HydrophobicContact CG-CE2 3.79Å; F239-F268 AromaticContact CG-CG 3.94Å; F239-F268 HydrophobicContact CG-CG 3.94Å; F239-F268 HydrophobicContact CG-CZ 4.19Å
240S97.4Very high97.4Very high56 Ų5670.8 Ų70.839%0.39238%0.379SS..Hα-helixtrans-59.2-44.2177.7-630000112.3L236 A237 L242 C243 E244L236-S240 PolarHBondContact O-N 3.15Å; L236-S240 PolarHBondContact O-OG 3.02Å; L236-S240 VanDerWaalsContact O-OG 3.11Å; A237-S240 PolarHBondContact O-N 3.42Å; S240-L242 VanDerWaalsContact C-N 3.34Å; S240-L242 PolarHBondContact O-N 3.01Å; S240-C243 PolarHBondContact O-N 2.97Å; S240-E244 WeakPolarHBondContact O-CB 3.05Å; S240-E244 PolarHBondContact O-N 2.75Å
241V97.9Very high97.3Very high89 Ų8974.7 Ų74.754%0.53940%0.4SS..Hα-helixtrans-63-39.4176.8170.30000111.5A237 V238 F239 K245A237-V241 VanDerWaalsContact O-CG2 3.31Å; A237-V241 WeakPolarHBondContact O-CG2 3.3Å; A237-V241 PolarHBondContact O-N 3.21Å; V238-V241 PolarHBondContact O-N 3.46Å; F239-V241 PolarHBondContact O-N 3.37Å; V241-K245 WeakPolarHBondContact O-CB 3.13Å; V241-K245 PolarHBondContact O-N 3.46Å
242L97.5Very high97.2Very high20 Ų2074.3 Ų74.311%0.10539%0.394CS..Hα-helixtrans-62.1-48.1174.9-70.9175.3000111.3F222 F225 A229 V238 F239 S240 E244 K245 Y246F222-L242 HydrophobicContact CD2-CB 4.29Å; F222-L242 HydrophobicContact CE2-CB 4.06Å; F225-L242 HydrophobicContact CB-CD1 3.94Å; F225-L242 HydrophobicContact CB-CD2 3.65Å; F225-L242 HydrophobicContact CB-CG 4.47Å; F225-L242 HydrophobicContact CD2-CD2 4.33Å; F225-L242 HydrophobicContact CG-CD2 4.17Å; A229-L242 HydrophobicContact CB-CD1 4.22Å; V238-L242 HydrophobicContact CG1-CD1 4.47Å; V238-L242 WeakPolarHBondContact O-CG 3.4Å; V238-L242 PolarHBondContact O-N 3.29Å; F239-L242 WeakPolarHBondContact O-CB 3.44Å; F239-L242 PolarHBondContact O-N 2.86Å; S240-L242 VanDerWaalsContact C-N 3.34Å; S240-L242 PolarHBondContact O-N 3.01Å; L242-E244 PolarHBondContact O-N 2.67Å; L242-K245 PolarHBondContact O-N 3.33Å; L242-Y246 HydrophobicContact CD2-CE2 4.32Å; L242-Y246 WeakPolarHBondContact O-CD2 3.48Å; L242-Y246 PolarHBondContact O-N 2.81Å
243C97.8Very high97.1Very high29 Ų2969 Ų6920%0.19637%0.373CS..Hα-helixtrans-62-41.6178.8-68.30000112.4F239 S240 S247 L250F239-C243 VanDerWaalsContact CE2-SG 3.59Å; F239-C243 VanDerWaalsContact CZ-SG 3.56Å; F239-C243 PolarHBondContact O-N 2.92Å; F239-C243 PolarHBondContact O-SG 3.41Å; S240-C243 PolarHBondContact O-N 2.97Å; C243-S247 WeakPolarHBondContact O-CA 3.26Å; C243-S247 PolarHBondContact O-N 3.37Å; C243-S247 VanDerWaalsContact O-N 3.07Å; C243-L250 HydrophobicContact CB-CD1 4.42Å
244E97.1Very high96.9Very high152 Ų15264.7 Ų64.771%0.7137%0.366SS*.Hα-helixtrans-64.4-50.3176.6-175.3-179.717600111.2S240 L242 Y246 S247S240-E244 WeakPolarHBondContact O-CB 3.05Å; S240-E244 PolarHBondContact O-N 2.75Å; L242-E244 PolarHBondContact O-N 2.67Å; E244-Y246 VanDerWaalsContact C-N 3.32Å; E244-Y246 PolarHBondContact O-N 3.34Å; E244-S247 VanDerWaalsContact O-CB 3.27Å; E244-S247 WeakPolarHBondContact O-CB 3.32Å; E244-S247 PolarHBondContact O-N 3.34Å
245K97.8Very high96.7Very high152 Ų15263.7 Ų63.766%0.66136%0.36SS*.Hα-helixtrans-62.5-37.2-176.6-175.7172.3-177.11770113.2V241 L242V241-K245 WeakPolarHBondContact O-CB 3.13Å; V241-K245 PolarHBondContact O-N 3.46Å; L242-K245 PolarHBondContact O-N 3.33Å
246Y97.9Very high96.8Very high21 Ų2160.4 Ų60.48%0.08234%0.337CS..THydrogen-bonded Turntrans-100.614-179.3-68.9-84.7000113.2P218 N221 F222 F225 L242 E244 P248 Q249 L250P218-Y246 HydrophobicContact CB-CD1 4.21Å; P218-Y246 HydrophobicContact CB-CE1 3.97Å; P218-Y246 VanDerWaalsContact O-CD1 3.29Å; P218-Y246 WeakPolarHBondContact O-CD1 3.15Å; P218-Y246 WeakPolarHBondContact O-CE1 3.29Å; N221-Y246 HydrophobicContact CB-CE1 4.11Å; N221-Y246 WeakPolarHBondContact CB-OH 3.32Å; F222-Y246 HydrophobicContact CB-CD1 3.85Å; F222-Y246 HydrophobicContact CB-CD2 3.91Å; F222-Y246 HydrophobicContact CB-CE1 4.34Å; F222-Y246 HydrophobicContact CB-CE2 4.39Å; F222-Y246 HydrophobicContact CB-CG 3.61Å; F222-Y246 AromaticContact CD2-CD2 3.82Å; F222-Y246 HydrophobicContact CD2-CD2 3.82Å; F222-Y246 AromaticContact CD2-CG 3.95Å; F222-Y246 HydrophobicContact CD2-CG 3.95Å; F222-Y246 HydrophobicContact CG-CD2 4.36Å; F222-Y246 HydrophobicContact CG-CG 4.2Å; F225-Y246 HydrophobicContact CD2-CE2 4.26Å; L242-Y246 HydrophobicContact CD2-CE2 4.32Å; L242-Y246 WeakPolarHBondContact O-CD2 3.48Å; L242-Y246 PolarHBondContact O-N 2.81Å; E244-Y246 VanDerWaalsContact C-N 3.32Å; E244-Y246 PolarHBondContact O-N 3.34Å; Y246-P248 VanDerWaalsContact C-N 3.32Å; Y246-Q249 PolarHBondContact O-N 2.95Å; Y246-Q249 PolarHBondContact O-OE1 3.02Å; Y246-L250 WeakPolarHBondContact O-CG 3.42Å; Y246-L250 PolarHBondContact O-N 3.39Å
247S97.5Very high96.8Very high42 Ų4260.8 Ų60.829%0.29434%0.339SS..Hα-helixtrans-50.6-42.1179.3-175.70000113.8C243 E244 Q249 L250 N251C243-S247 WeakPolarHBondContact O-CA 3.26Å; C243-S247 PolarHBondContact O-N 3.37Å; C243-S247 VanDerWaalsContact O-N 3.07Å; E244-S247 VanDerWaalsContact O-CB 3.27Å; E244-S247 WeakPolarHBondContact O-CB 3.32Å; E244-S247 PolarHBondContact O-N 3.34Å; S247-Q249 VanDerWaalsContact C-N 3.28Å; S247-Q249 PolarHBondContact O-N 3.32Å; S247-L250 PolarHBondContact O-N 3.19Å; S247-N251 WeakPolarHBondContact O-CB 3.34Å; S247-N251 PolarHBondContact O-N 2.82Å; S247-N251 PolarHBondContact O-ND2 2.98Å; S247-N251 VanDerWaalsContact O-ND2 3.12Å; S247-N251 PolarHBondContact OG-ND2 3.3Å; S247-N251 VanDerWaalsContact OG-ND2 3.16Å
248P96.9Very high96.7Very high88 Ų8864.4 Ų64.457%0.57134%0.343SS*.Hα-helixtrans-59-37.3177.3-24.935.4000113.6Y246Y246-P248 VanDerWaalsContact C-N 3.32Å
249Q97.4Very high96.8Very high44 Ų4464 Ų6421%0.20634%0.335CS..Hα-helixtrans-77.7-36.7178-67.277.323.900111.9P218 L219 Y246 S247 N251 R252P218-Q249 HydrophobicContact CB-CG 3.98Å; L219-Q249 HydrophobicContact CB-CB 4Å; L219-Q249 HydrophobicContact CB-CG 4.39Å; L219-Q249 HydrophobicContact CD1-CB 4.09Å; Y246-Q249 PolarHBondContact O-N 2.95Å; Y246-Q249 PolarHBondContact O-OE1 3.02Å; S247-Q249 VanDerWaalsContact C-N 3.28Å; S247-Q249 PolarHBondContact O-N 3.32Å; Q249-N251 VanDerWaalsContact C-N 3.32Å; Q249-R252 WeakPolarHBondContact O-CB 3.31Å; Q249-R252 WeakPolarHBondContact O-CG 3.38Å; Q249-R252 PolarHBondContact O-N 2.88Å
250L97.5Very high96.8Very high3 Ų363.7 Ų63.72%0.01633%0.334CS..Hα-helixtrans-67.2-33178.1-68.9172.7000112.6L219 F222 C243 Y246 S247 R252 L260L219-L250 HydrophobicContact CD1-CD2 4.07Å; F222-L250 HydrophobicContact CD1-CD2 3.79Å; F222-L250 HydrophobicContact CD2-CD1 4.34Å; F222-L250 HydrophobicContact CE1-CD1 4.49Å; F222-L250 HydrophobicContact CE1-CD2 3.59Å; F222-L250 HydrophobicContact CE2-CD1 3.93Å; F222-L250 HydrophobicContact CE2-CD2 4.46Å; F222-L250 HydrophobicContact CG-CD2 4.33Å; F222-L250 HydrophobicContact CZ-CD1 4.02Å; F222-L250 HydrophobicContact CZ-CD2 3.95Å; C243-L250 HydrophobicContact CB-CD1 4.42Å; Y246-L250 WeakPolarHBondContact O-CG 3.42Å; Y246-L250 PolarHBondContact O-N 3.39Å; S247-L250 PolarHBondContact O-N 3.19Å; L250-R252 PolarHBondContact O-N 3.29Å; L250-L260 HydrophobicContact CD1-CD1 3.67Å; L250-L260 HydrophobicContact CD2-CD1 3.78Å; L250-L260 HydrophobicContact CG-CD1 4.26Å
251N97Very high96.7Very high95 Ų9565.3 Ų65.351%0.50834%0.338SS..THydrogen-bonded Turntrans-74.8-2.4179.4-68.2-26.6000114S247 Q249 D253S247-N251 WeakPolarHBondContact O-CB 3.34Å; S247-N251 PolarHBondContact O-N 2.82Å; S247-N251 PolarHBondContact O-ND2 2.98Å; S247-N251 VanDerWaalsContact O-ND2 3.12Å; S247-N251 PolarHBondContact OG-ND2 3.3Å; S247-N251 VanDerWaalsContact OG-ND2 3.16Å; Q249-N251 VanDerWaalsContact C-N 3.32Å; N251-D253 PolarHBondContact O-N 3.49Å
252R96.2Very high96.7Very high101 Ų10163.8 Ų63.838%0.38133%0.325SS..THydrogen-bonded Turntrans-66.6-26.3174.5-66.6173.860.9-160.8-3.9112.5S172 D175 L176 Q249 L250S172-R252 PolarHBondContact O-NH2 3.02Å; D175-R252 IonicContact OD1-CZ 3.51Å; D175-R252 IonicContact OD1-NH1 2.79Å; D175-R252 PolarHBondContact OD1-NH1 3.04Å; D175-R252 IonicContact OD1-NH2 3.36Å; D175-R252 PolarHBondContact OD1-NH2 3.37Å; D175-R252 IonicContact OD2-NH1 2.83Å; D175-R252 PolarHBondContact OD2-NH1 2.84Å; L176-R252 HydrophobicContact CD2-CB 4.19Å; Q249-R252 WeakPolarHBondContact O-CB 3.31Å; Q249-R252 WeakPolarHBondContact O-CG 3.38Å; Q249-R252 PolarHBondContact O-N 2.88Å; L250-R252 PolarHBondContact O-N 3.29Å
253D95.3Very high96.7Very high47 Ų4762.9 Ų62.925%0.25132%0.32SS..SBendtrans-137.4115.4174-175.8-23.5000109.9N251 S255 Y256N251-D253 PolarHBondContact O-N 3.49Å; D253-S255 PolarHBondContact O-N 3.01Å; D253-S255 VanDerWaalsContact O-N 3.08Å; D253-S255 WeakPolarHBondContact OD1-CB 3.28Å; D253-S255 PolarHBondContact OD1-N 2.81Å; D253-S255 PolarHBondContact OD1-OG 3.2Å; D253-S255 PolarHBondContact OD2-OG 2.98Å; D253-Y256 HydrophobicContact CB-CD1 3.98Å; D253-Y256 HydrophobicContact CB-CD2 3.89Å; D253-Y256 HydrophobicContact CB-CE1 3.76Å; D253-Y256 HydrophobicContact CB-CE2 3.68Å; D253-Y256 HydrophobicContact CB-CG 4.04Å; D253-Y256 WeakPolarHBondContact O-CB 3.2Å; D253-Y256 PolarHBondContact O-N 3.23Å
254S92.6Very high96.7Very high94 Ų9461.5 Ų61.566%0.65731%0.311SS*.THydrogen-bonded Turntrans-59.1-21.7-179.3690000114.3Y256S254-Y256 PolarHBondContact O-N 3.16Å
255S94.1Very high96.7Very high24 Ų2456.7 Ų56.717%0.16829%0.288CS..Hα-helixtrans-68.2-25.5176.771.60000112.5D253 L257 K258 Y259D253-S255 PolarHBondContact O-N 3.01Å; D253-S255 VanDerWaalsContact O-N 3.08Å; D253-S255 WeakPolarHBondContact OD1-CB 3.28Å; D253-S255 PolarHBondContact OD1-N 2.81Å; D253-S255 PolarHBondContact OD1-OG 3.2Å; D253-S255 PolarHBondContact OD2-OG 2.98Å; S255-L257 VanDerWaalsContact C-N 3.33Å; S255-L257 PolarHBondContact O-N 3.07Å; S255-K258 WeakPolarHBondContact O-CB 3.46Å; S255-K258 PolarHBondContact O-N 2.86Å; S255-K258 VanDerWaalsContact O-N 3.17Å; S255-Y259 WeakPolarHBondContact O-CD2 3.5Å; S255-Y259 PolarHBondContact O-N 3.32Å
256Y97.7Very high96.7Very high1 Ų151.7 Ų51.70%0.00427%0.268CS..Hα-helixtrans-63.7-37.3-177.5-64.4-9.3000112.6L176 A179 Q180 L183 L219 D253 S254 K258 Y259 L260L176-Y256 WeakPolarHBondContact CA-OH 3.11Å; L176-Y256 HydrophobicContact CD2-CE2 4.09Å; L176-Y256 WeakPolarHBondContact CD2-OH 3.27Å; L176-Y256 PolarHBondContact O-OH 2.84Å; A179-Y256 HydrophobicContact CB-CE2 4.11Å; Q180-Y256 HydrophobicContact CB-CE1 4.15Å; L183-Y256 HydrophobicContact CD1-CD1 3.66Å; L183-Y256 HydrophobicContact CD1-CD2 4.43Å; L183-Y256 HydrophobicContact CD1-CE1 4.26Å; L183-Y256 HydrophobicContact CD1-CG 3.76Å; L219-Y256 HydrophobicContact CD2-CE2 4.03Å; D253-Y256 HydrophobicContact CB-CD1 3.98Å; D253-Y256 HydrophobicContact CB-CD2 3.89Å; D253-Y256 HydrophobicContact CB-CE1 3.76Å; D253-Y256 HydrophobicContact CB-CE2 3.68Å; D253-Y256 HydrophobicContact CB-CG 4.04Å; D253-Y256 WeakPolarHBondContact O-CB 3.2Å; D253-Y256 PolarHBondContact O-N 3.23Å; S254-Y256 PolarHBondContact O-N 3.16Å; Y256-K258 VanDerWaalsContact C-N 3.29Å; Y256-K258 PolarHBondContact O-N 3.23Å; Y256-Y259 HydrophobicContact CD1-CD2 4.16Å; Y256-Y259 HydrophobicContact CD1-CE2 4.44Å; Y256-Y259 PolarHBondContact O-N 3.12Å; Y256-Y259 VanDerWaalsContact O-N 3.15Å; Y256-L260 WeakPolarHBondContact O-CB 3.43Å; Y256-L260 VanDerWaalsContact O-CG 3.28Å; Y256-L260 WeakPolarHBondContact O-CG 3.25Å; Y256-L260 PolarHBondContact O-N 3.21Å
257L95.1Very high96.7Very high81 Ų8153.7 Ų53.742%0.42428%0.276SS..Hα-helixtrans-60.5-40.6177.1-61-179.5000111.5S255 Y259 L260 D261S255-L257 VanDerWaalsContact C-N 3.33Å; S255-L257 PolarHBondContact O-N 3.07Å; L257-Y259 PolarHBondContact O-N 3.45Å; L257-L260 PolarHBondContact O-N 2.93Å; L257-D261 VanDerWaalsContact O-CG 3.31Å; L257-D261 PolarHBondContact O-N 3.2Å
258K95.7Very high96.6Very high138 Ų13852.7 Ų52.760%0.627%0.267SS*.Hα-helixtrans-65-39.4176.5-60.2174.8-177.3165.60112S255 Y256 K262S255-K258 WeakPolarHBondContact O-CB 3.46Å; S255-K258 PolarHBondContact O-N 2.86Å; S255-K258 VanDerWaalsContact O-N 3.17Å; Y256-K258 VanDerWaalsContact C-N 3.29Å; Y256-K258 PolarHBondContact O-N 3.23Å; K258-K262 PolarHBondContact O-N 3.03Å
259Y98Very high96.4Very high52 Ų5251.3 Ų51.320%0.20427%0.269CS..Hα-helixtrans-65.2-42.5174-63.3-48.6000111.2Q180 L183 Q184 S255 Y256 L257 K262 I263Q180-Y259 HydrophobicContact CG-CE2 4.41Å; L183-Y259 HydrophobicContact CB-CD2 3.91Å; L183-Y259 HydrophobicContact CB-CG 4.04Å; L183-Y259 HydrophobicContact CD1-CD2 4.2Å; Q184-Y259 HydrophobicContact CG-CE1 3.86Å; Q184-Y259 HydrophobicContact CG-CE2 4.29Å; Q184-Y259 PolarHBondContact NE2-OH 3.33Å; S255-Y259 WeakPolarHBondContact O-CD2 3.5Å; S255-Y259 PolarHBondContact O-N 3.32Å; Y256-Y259 HydrophobicContact CD1-CD2 4.16Å; Y256-Y259 HydrophobicContact CD1-CE2 4.44Å; Y256-Y259 PolarHBondContact O-N 3.12Å; Y256-Y259 VanDerWaalsContact O-N 3.15Å; L257-Y259 PolarHBondContact O-N 3.45Å; Y259-K262 WeakPolarHBondContact O-CB 3.27Å; Y259-K262 PolarHBondContact O-N 3.07Å; Y259-I263 WeakPolarHBondContact O-CB 3.49Å; Y259-I263 WeakPolarHBondContact O-CD1 3.4Å; Y259-I263 WeakPolarHBondContact O-CG1 3.39Å; Y259-I263 PolarHBondContact O-N 3.38Å
260L98.1Very high96.1Very high8 Ų851.6 Ų51.64%0.04227%0.273CS..Hα-helixtrans-66.6-37.3179.3-69.2176.5000112.9L183 F222 L226 F239 L250 Y256 L257 K262 I263 G264L183-L260 HydrophobicContact CD2-CD2 3.96Å; F222-L260 HydrophobicContact CE1-CD2 3.97Å; F222-L260 HydrophobicContact CZ-CD1 4.09Å; F222-L260 HydrophobicContact CZ-CD2 3.61Å; L226-L260 HydrophobicContact CD2-CD2 4.08Å; F239-L260 HydrophobicContact CE2-CD2 4.11Å; F239-L260 HydrophobicContact CZ-CB 4.28Å; F239-L260 HydrophobicContact CZ-CD2 4.28Å; L250-L260 HydrophobicContact CD1-CD1 3.67Å; L250-L260 HydrophobicContact CD2-CD1 3.78Å; L250-L260 HydrophobicContact CG-CD1 4.26Å; Y256-L260 WeakPolarHBondContact O-CB 3.43Å; Y256-L260 VanDerWaalsContact O-CG 3.28Å; Y256-L260 WeakPolarHBondContact O-CG 3.25Å; Y256-L260 PolarHBondContact O-N 3.21Å; L257-L260 PolarHBondContact O-N 2.93Å; L260-K262 VanDerWaalsContact C-N 3.3Å; L260-K262 PolarHBondContact O-N 3.4Å; L260-I263 HydrophobicContact CD2-CD1 4.38Å; L260-I263 PolarHBondContact O-N 3.22Å; L260-G264 PolarHBondContact O-N 3.02Å
261D95.9Very high95.6Very high91 Ų9160.2 Ų60.249%0.48731%0.311SS..Hα-helixtrans-58.9-45.6171.6-71.3-28.9000110.6L257 G264 Q265L257-D261 VanDerWaalsContact O-CG 3.31Å; L257-D261 PolarHBondContact O-N 3.2Å; D261-G264 PolarHBondContact O-N 3.45Å; D261-Q265 VanDerWaalsContact O-CG 3.32Å; D261-Q265 WeakPolarHBondContact O-CG 3.42Å; D261-Q265 PolarHBondContact O-N 3.34Å; D261-Q265 VanDerWaalsContact O-N 3.11Å; D261-Q265 PolarHBondContact O-NE2 3.43Å
262K97.2Very high94.7Very high57 Ų5759.1 Ų59.125%0.24831%0.309CS..Hα-helixtrans-65.2-44.5177.3-174.458.6175.1-1780111.9C187 K258 Y259 L260 G264 Q265 L266C187-K262 HydrophobicContact CB-CG 4.25Å; K258-K262 PolarHBondContact O-N 3.03Å; Y259-K262 WeakPolarHBondContact O-CB 3.27Å; Y259-K262 PolarHBondContact O-N 3.07Å; L260-K262 VanDerWaalsContact C-N 3.3Å; L260-K262 PolarHBondContact O-N 3.4Å; K262-G264 VanDerWaalsContact C-N 3.34Å; K262-G264 PolarHBondContact O-N 3.26Å; K262-Q265 WeakPolarHBondContact O-CB 3.46Å; K262-Q265 PolarHBondContact O-N 3.42Å; K262-L266 HydrophobicContact CD-CD1 4.37Å; K262-L266 HydrophobicContact CD-CG 4.25Å; K262-L266 HydrophobicContact CG-CD1 4Å; K262-L266 HydrophobicContact CG-CG 4.3Å; K262-L266 WeakPolarHBondContact O-CB 3.17Å; K262-L266 VanDerWaalsContact O-CG 3.25Å; K262-L266 WeakPolarHBondContact O-CG 3.49Å; K262-L266 PolarHBondContact O-N 2.92Å
263I98.1Very high93.5Very high0 Ų057.2 Ų57.20%031%0.309CS..Hα-helixtrans-62.6-42.3178.2-71.2163.8000110.6L183 L186 L226 I230 F239 Y259 L260 Q265 L266 Y267 F268L183-I263 HydrophobicContact CB-CD1 4.47Å; L183-I263 HydrophobicContact CD2-CD1 3.63Å; L186-I263 HydrophobicContact CB-CD1 3.71Å; L186-I263 HydrophobicContact CB-CG1 3.86Å; L186-I263 HydrophobicContact CD1-CD1 4.02Å; L226-I263 HydrophobicContact CD1-CG2 4.21Å; L226-I263 HydrophobicContact CD2-CD1 4.42Å; I230-I263 HydrophobicContact CD1-CG2 4.16Å; F239-I263 HydrophobicContact CE2-CG2 4.3Å; Y259-I263 WeakPolarHBondContact O-CB 3.49Å; Y259-I263 WeakPolarHBondContact O-CD1 3.4Å; Y259-I263 WeakPolarHBondContact O-CG1 3.39Å; Y259-I263 PolarHBondContact O-N 3.38Å; L260-I263 HydrophobicContact CD2-CD1 4.38Å; L260-I263 PolarHBondContact O-N 3.22Å; I263-Q265 VanDerWaalsContact C-N 3.29Å; I263-Q265 PolarHBondContact O-N 3.47Å; I263-L266 PolarHBondContact O-N 3.41Å; I263-L266 VanDerWaalsContact O-N 3.16Å; I263-Y267 HydrophobicContact CG2-CD2 3.95Å; I263-Y267 PolarHBondContact O-N 3.42Å; I263-F268 HydrophobicContact CG2-CE2 4.19Å
264G97.8Very high92Very high1 Ų159.9 Ų59.91%0.0134%0.338CS..Hα-helixtrans-54.6-44.7173.100000112.1L260 D261 K262 F268 G269 V270L260-G264 PolarHBondContact O-N 3.02Å; D261-G264 PolarHBondContact O-N 3.45Å; K262-G264 VanDerWaalsContact C-N 3.34Å; K262-G264 PolarHBondContact O-N 3.26Å; G264-F268 CarbonylContact O-C 3.56Å; G264-F268 WeakPolarHBondContact O-CA 3.29Å; G264-F268 WeakPolarHBondContact O-CB 3.35Å; G264-F268 PolarHBondContact O-N 2.83Å; G264-G269 PolarHBondContact O-N 3.42Å; G264-V270 VanDerWaalsContact C-CG2 3.5Å; G264-V270 WeakPolarHBondContact O-CG2 3.38Å; G264-V270 PolarHBondContact O-N 3.06Å
265Q96.8Very high90.3Very high50 Ų5062.2 Ų62.223%0.23434%0.343CS..Hα-helixtrans-67.7-42.5176.3-65.9167.334.700112.1D261 K262 I263 V270D261-Q265 VanDerWaalsContact O-CG 3.32Å; D261-Q265 WeakPolarHBondContact O-CG 3.42Å; D261-Q265 PolarHBondContact O-N 3.34Å; D261-Q265 VanDerWaalsContact O-N 3.11Å; D261-Q265 PolarHBondContact O-NE2 3.43Å; K262-Q265 WeakPolarHBondContact O-CB 3.46Å; K262-Q265 PolarHBondContact O-N 3.42Å; I263-Q265 VanDerWaalsContact C-N 3.29Å; I263-Q265 PolarHBondContact O-N 3.47Å; Q265-V270 WeakPolarHBondContact CA-O 3.19Å; Q265-V270 HydrophobicContact CG-CB 4.22Å; Q265-V270 HydrophobicContact CG-CG1 4.39Å; Q265-V270 WeakPolarHBondContact CG-O 3.48Å
266L97.2Very high88.3Confident48 Ų4866.1 Ų66.125%0.25136%0.359SS..Hα-helixtrans-72.7-36.6-174.1-71.7-178.7000113.7C187 K189 K262 I263C187-L266 VanDerWaalsContact O-CD1 3.31Å; C187-L266 WeakPolarHBondContact O-CD1 3.25Å; K189-L266 VanDerWaalsContact CE-CD2 3.46Å; K189-L266 HydrophobicContact CG-CD1 4.14Å; K189-L266 HydrophobicContact CG-CD2 4.5Å; K262-L266 HydrophobicContact CD-CD1 4.37Å; K262-L266 HydrophobicContact CD-CG 4.25Å; K262-L266 HydrophobicContact CG-CD1 4Å; K262-L266 HydrophobicContact CG-CG 4.3Å; K262-L266 WeakPolarHBondContact O-CB 3.17Å; K262-L266 VanDerWaalsContact O-CG 3.25Å; K262-L266 WeakPolarHBondContact O-CG 3.49Å; K262-L266 PolarHBondContact O-N 2.92Å; I263-L266 PolarHBondContact O-N 3.41Å; I263-L266 VanDerWaalsContact O-N 3.16Å
267Y97.7Very high86.1Confident63 Ų6372.5 Ų72.525%0.24739%0.39CS..Hα-helixtrans-120.9-21.9-168.5-63.2-78.3000114.8L186 K189 I230 I263L186-Y267 HydrophobicContact CB-CE2 4.41Å; L186-Y267 WeakPolarHBondContact O-CE2 3.44Å; L186-Y267 PolarHBondContact O-OH 3Å; K189-Y267 VanDerWaalsContact CA-OH 3.32Å; K189-Y267 WeakPolarHBondContact CA-OH 3.38Å; I230-Y267 HydrophobicContact CB-CD1 4.46Å; I230-Y267 HydrophobicContact CD1-CD2 3.93Å; I230-Y267 HydrophobicContact CD1-CE2 4.17Å; I230-Y267 HydrophobicContact CD1-CG 4.07Å; I230-Y267 HydrophobicContact CG1-CD1 4.32Å; I230-Y267 HydrophobicContact CG1-CD2 4.36Å; I230-Y267 HydrophobicContact CG1-CG 4Å; I230-Y267 HydrophobicContact CG2-CD1 3.42Å; I230-Y267 VanDerWaalsContact CG2-CD1 3.42Å; I230-Y267 HydrophobicContact CG2-CE1 3.58Å; I230-Y267 HydrophobicContact CG2-CG 4Å; I263-Y267 HydrophobicContact CG2-CD2 3.95Å; I263-Y267 PolarHBondContact O-N 3.42Å
268F97.1Very high83.9Confident20 Ų2075.1 Ų75.19%0.08841%0.405CS..SBendtrans-120.93.3-172.8-59.4-79000113.9L226 A229 I230 C234 L236 F239 I263 G264L226-F268 HydrophobicContact CD1-CE2 4.11Å; L226-F268 HydrophobicContact CD1-CZ 4.36Å; A229-F268 HydrophobicContact CB-CE1 4.25Å; A229-F268 HydrophobicContact CB-CZ 4.06Å; I230-F268 HydrophobicContact CD1-CE2 4.49Å; I230-F268 HydrophobicContact CG1-CE2 3.86Å; I230-F268 HydrophobicContact CG1-CZ 3.74Å; C234-F268 WeakPolarHBondContact O-CD1 3.22Å; L236-F268 HydrophobicContact CB-CB 4.45Å; L236-F268 HydrophobicContact CD1-CB 3.87Å; F239-F268 HydrophobicContact CB-CD1 3.71Å; F239-F268 HydrophobicContact CB-CD2 3.95Å; F239-F268 HydrophobicContact CB-CE1 3.77Å; F239-F268 HydrophobicContact CB-CE2 4Å; F239-F268 HydrophobicContact CB-CG 3.79Å; F239-F268 HydrophobicContact CB-CZ 3.92Å; F239-F268 HydrophobicContact CD1-CD2 4.12Å; F239-F268 HydrophobicContact CD1-CG 4.32Å; F239-F268 AromaticContact CD2-CD2 3.74Å; F239-F268 HydrophobicContact CD2-CD2 3.74Å; F239-F268 AromaticContact CD2-CE2 3.45Å; F239-F268 HydrophobicContact CD2-CE2 3.45Å; F239-F268 VanDerWaalsContact CD2-CE2 3.45Å; F239-F268 HydrophobicContact CD2-CG 4.45Å; F239-F268 AromaticContact CD2-CZ 3.96Å; F239-F268 HydrophobicContact CD2-CZ 3.96Å; F239-F268 HydrophobicContact CE2-CD2 4.25Å; F239-F268 HydrophobicContact CE2-CE2 4.05Å; F239-F268 HydrophobicContact CG-CD1 4.34Å; F239-F268 AromaticContact CG-CD2 3.65Å; F239-F268 HydrophobicContact CG-CD2 3.65Å; F239-F268 HydrophobicContact CG-CE1 4.46Å; F239-F268 AromaticContact CG-CE2 3.79Å; F239-F268 HydrophobicContact CG-CE2 3.79Å; F239-F268 AromaticContact CG-CG 3.94Å; F239-F268 HydrophobicContact CG-CG 3.94Å; F239-F268 HydrophobicContact CG-CZ 4.19Å; I263-F268 HydrophobicContact CG2-CE2 4.19Å; G264-F268 CarbonylContact O-C 3.56Å; G264-F268 WeakPolarHBondContact O-CA 3.29Å; G264-F268 WeakPolarHBondContact O-CB 3.35Å; G264-F268 PolarHBondContact O-N 2.83Å
269G92.8Very high81.7Confident60 Ų6072.9 Ų72.962%0.61940%0.399SS*.  trans74.722.1174.200000114.8G264 K271G264-G269 PolarHBondContact O-N 3.42Å; G269-K271 PolarHBondContact O-N 3.29Å
270V91.1Very high79.7Confident50 Ų5076 Ų7630%0.30341%0.414SS..PPolyproline II helixtrans-59.9129.3170.1179.30000108.6L236 G264 Q265L236-V270 HydrophobicContact CD1-CG2 3.52Å; L236-V270 HydrophobicContact CD2-CG2 4.44Å; G264-V270 VanDerWaalsContact C-CG2 3.5Å; G264-V270 WeakPolarHBondContact O-CG2 3.38Å; G264-V270 PolarHBondContact O-N 3.06Å; Q265-V270 WeakPolarHBondContact CA-O 3.19Å; Q265-V270 HydrophobicContact CG-CB 4.22Å; Q265-V270 HydrophobicContact CG-CG1 4.39Å; Q265-V270 WeakPolarHBondContact CG-O 3.48Å
271K87Confident77.8Confident183 Ų18382.3 Ų82.380%0.79644%0.442SS*.PPolyproline II helixtrans-70.4136.5176.9-67.7-178.3-179.5177.60109.2G269G269-K271 PolarHBondContact O-N 3.29Å
272P78.3Confident75.5Confident73 Ų7380.6 Ų80.647%0.47444%0.436SS..PPolyproline II helixtrans-59.8139.6174.825.5-32.7000109.3A274P272-A274 PolarHBondContact O-N 3.19Å
273P69.4Low73.4Confident60 Ų6086 Ų8639%0.3946%0.455SS..PPolyproline II helixtrans-59138.817122.6-29000108.4N275 E276P273-N275 PolarHBondContact O-N 3.43Å; P273-E276 HydrophobicContact CB-CG 4.32Å; P273-E276 HydrophobicContact CG-CB 3.89Å; P273-E276 HydrophobicContact CG-CG 3.66Å; P273-E276 WeakPolarHBondContact CG-OE2 3.48Å; P273-E276 PolarHBondContact O-N 2.9Å
274A63.6Low71.7Confident104 Ų10488.9 Ų88.986%0.8647%0.47SS*.THydrogen-bonded Turntrans-55-14.8-165.500000115.2P272P272-A274 PolarHBondContact O-N 3.19Å
275N57.5Low69.3Low142 Ų14293.9 Ų93.976%0.75950%0.495SS*.THydrogen-bonded Turntrans-127.89.2-173-74.3-10.3000116.8P273P273-N275 PolarHBondContact O-N 3.43Å
276E52.6Low67.2Low106 Ų10696.8 Ų96.850%0.49551%0.508SS..  trans-100.5-19-172.3-69.7-165.7151.300117.8P273 N278 N279 F280P273-E276 HydrophobicContact CB-CG 4.32Å; P273-E276 HydrophobicContact CG-CB 3.89Å; P273-E276 HydrophobicContact CG-CG 3.66Å; P273-E276 WeakPolarHBondContact CG-OE2 3.48Å; P273-E276 PolarHBondContact O-N 2.9Å; E276-N278 PolarHBondContact O-N 3.37Å; E276-N279 PolarHBondContact O-N 3.21Å; E276-F280 PolarHBondContact O-N 3.11Å
277M50.8Low65.2Low135 Ų135102 Ų10267%0.66553%0.533SS*.Hα-helixtrans-55.1-32.3-179.1-88.5-80.8-71.600112.7
278N50Low63.1Low136 Ų136106.3 Ų106.373%0.72755%0.554SS**Hα-helixtrans-77-20.1178.5-72-7.4000113.9E276 S282E276-N278 PolarHBondContact O-N 3.37Å; N278-S282 VanDerWaalsContact O-CB 3.29Å; N278-S282 WeakPolarHBondContact O-CB 3.47Å; N278-S282 PolarHBondContact O-OG 3.07Å
279N49.9Very low61.3Low91 Ų91109.2 Ų109.249%0.48758%0.576SS.*Hα-helixtrans-95.8-29.9-173.9-75.7-9.6000113.6E276 S282 R283E276-N279 PolarHBondContact O-N 3.21Å; N279-S282 VanDerWaalsContact C-OG 3.28Å; N279-S282 VanDerWaalsContact CA-OG 3.28Å; N279-S282 WeakPolarHBondContact CA-OG 3.43Å; N279-S282 PolarHBondContact O-OG 3.5Å; N279-R283 WeakPolarHBondContact O-CG 3.43Å; N279-R283 PolarHBondContact O-N 3.45Å
280F55.4Low59.1Low118 Ų118110 Ų11052%0.51857%0.566SS.*Hα-helixtrans-81.5-45-179.9-178.4-105000112.4E276 S282 R283 I284E276-F280 PolarHBondContact O-N 3.11Å; F280-S282 VanDerWaalsContact C-N 3.3Å; F280-S282 PolarHBondContact O-N 3.05Å; F280-R283 PolarHBondContact O-N 3.03Å; F280-I284 HydrophobicContact CD1-CD1 3.92Å; F280-I284 HydrophobicContact CE1-CD1 3.24Å; F280-I284 HydrophobicContact CE1-CG1 4.29Å; F280-I284 HydrophobicContact CE2-CD1 3.92Å; F280-I284 HydrophobicContact CE2-CG1 4.39Å; F280-I284 HydrophobicContact CZ-CD1 3.26Å; F280-I284 HydrophobicContact CZ-CG1 4.19Å; F280-I284 PolarHBondContact O-N 2.78Å
281F58.3Low56.7Low141 Ų141110.5 Ų110.562%0.61858%0.581SS**Hα-helixtrans-65.2-36.8176.5-170.9-98.1000111.3I284 M285F281-I284 PolarHBondContact O-N 3.16Å; F281-M285 HydrophobicContact CD1-CG 4.3Å; F281-M285 HydrophobicContact CE1-CG 3.75Å; F281-M285 HydrophobicContact CZ-CG 3.98Å; F281-M285 WeakPolarHBondContact O-CB 3.47Å; F281-M285 PolarHBondContact O-N 2.93Å
282S46.1Very low54.6Low54 Ų54108 Ų10838%0.37858%0.576SS.*Hα-helixtrans-64.7-40.3174.453.30000112.4N278 N279 F280 Q286N278-S282 VanDerWaalsContact O-CB 3.29Å; N278-S282 WeakPolarHBondContact O-CB 3.47Å; N278-S282 PolarHBondContact O-OG 3.07Å; N279-S282 VanDerWaalsContact C-OG 3.28Å; N279-S282 VanDerWaalsContact CA-OG 3.28Å; N279-S282 WeakPolarHBondContact CA-OG 3.43Å; N279-S282 PolarHBondContact O-OG 3.5Å; F280-S282 VanDerWaalsContact C-N 3.3Å; F280-S282 PolarHBondContact O-N 3.05Å; S282-Q286 WeakPolarHBondContact O-CB 3.32Å; S282-Q286 PolarHBondContact O-N 2.92Å
283R54.1Low52.4Low171 Ų171112.5 Ų112.565%0.64559%0.589SS**Hα-helixtrans-69.1-39.4175.1-77.9-179.2-175.9168.12.3113.9N279 F280 Q286 M287N279-R283 WeakPolarHBondContact O-CG 3.43Å; N279-R283 PolarHBondContact O-N 3.45Å; F280-R283 PolarHBondContact O-N 3.03Å; R283-Q286 PolarHBondContact O-N 3.5Å; R283-M287 WeakPolarHBondContact O-CB 3.26Å; R283-M287 PolarHBondContact O-N 3.42Å
284I62.4Low50.7Low61 Ų61118.7 Ų118.731%0.31362%0.615SS.*Hα-helixtrans-66.3-45.2174.5-75.5-176000110.2F280 F281 Q286 M287 F288F280-I284 HydrophobicContact CD1-CD1 3.92Å; F280-I284 HydrophobicContact CE1-CD1 3.24Å; F280-I284 HydrophobicContact CE1-CG1 4.29Å; F280-I284 HydrophobicContact CE2-CD1 3.92Å; F280-I284 HydrophobicContact CE2-CG1 4.39Å; F280-I284 HydrophobicContact CZ-CD1 3.26Å; F280-I284 HydrophobicContact CZ-CG1 4.19Å; F280-I284 PolarHBondContact O-N 2.78Å; F281-I284 PolarHBondContact O-N 3.16Å; I284-Q286 VanDerWaalsContact C-N 3.3Å; I284-Q286 PolarHBondContact O-N 2.78Å; I284-M287 PolarHBondContact O-N 2.93Å; I284-F288 HydrophobicContact CG2-CD2 3.48Å; I284-F288 VanDerWaalsContact CG2-CD2 3.48Å; I284-F288 HydrophobicContact CG2-CE2 3.38Å; I284-F288 WeakPolarHBondContact O-CD2 3.3Å; I284-F288 PolarHBondContact O-N 3.35Å
285M48Very low49.1Very low106 Ų106121.8 Ų121.852%0.52261%0.611SS.*Hα-helixtrans-63.5-37.7175-98.8-57.1-135.200112.2F281 F288 S289F281-M285 HydrophobicContact CD1-CG 4.3Å; F281-M285 HydrophobicContact CE1-CG 3.75Å; F281-M285 HydrophobicContact CZ-CG 3.98Å; F281-M285 WeakPolarHBondContact O-CB 3.47Å; F281-M285 PolarHBondContact O-N 2.93Å; M285-F288 CarbonylContact O-C 3.5Å; M285-F288 PolarHBondContact O-N 2.88Å; M285-S289 WeakPolarHBondContact O-CB 3.5Å; M285-S289 PolarHBondContact O-N 3.49Å
286Q52.9Low47.8Very low111 Ų111122.6 Ų122.652%0.51962%0.615SS.*Hα-helixtrans-66.1-40.7175.8-170.6166.122.900111.2S282 R283 I284 F288 S289 D290S282-Q286 WeakPolarHBondContact O-CB 3.32Å; S282-Q286 PolarHBondContact O-N 2.92Å; R283-Q286 PolarHBondContact O-N 3.5Å; I284-Q286 VanDerWaalsContact C-N 3.3Å; I284-Q286 PolarHBondContact O-N 2.78Å; Q286-F288 VanDerWaalsContact C-N 3.34Å; Q286-F288 PolarHBondContact O-N 3.17Å; Q286-S289 PolarHBondContact O-N 3.33Å; Q286-D290 WeakPolarHBondContact CG-OD2 3.31Å; Q286-D290 VanDerWaalsContact O-CB 3.28Å; Q286-D290 WeakPolarHBondContact O-CB 3.37Å; Q286-D290 PolarHBondContact O-N 3.07Å
287M53.3Low46.7Very low158 Ų158123.2 Ų123.278%0.77863%0.632SS**Hα-helixtrans-65.7-34.3174-167178.5-179.400112.8R283 I284R283-M287 WeakPolarHBondContact O-CB 3.26Å; R283-M287 PolarHBondContact O-N 3.42Å; I284-M287 PolarHBondContact O-N 2.93Å
288F54.9Low45.7Very low153 Ų153123.3 Ų123.367%0.67164%0.64SS**Hα-helixtrans-78.5-21.5173.3-76.8-61.6000113.7I284 M285 Q286I284-F288 HydrophobicContact CG2-CD2 3.48Å; I284-F288 VanDerWaalsContact CG2-CD2 3.48Å; I284-F288 HydrophobicContact CG2-CE2 3.38Å; I284-F288 WeakPolarHBondContact O-CD2 3.3Å; I284-F288 PolarHBondContact O-N 3.35Å; M285-F288 CarbonylContact O-C 3.5Å; M285-F288 PolarHBondContact O-N 2.88Å; Q286-F288 VanDerWaalsContact C-N 3.34Å; Q286-F288 PolarHBondContact O-N 3.17Å
289S60Low44.7Very low81 Ų81122.2 Ų122.257%0.56664%0.643SS**Hα-helixtrans-97.2-26.6-178.6-173.50000113.6M285 Q286 G291M285-S289 WeakPolarHBondContact O-CB 3.5Å; M285-S289 PolarHBondContact O-N 3.49Å; Q286-S289 PolarHBondContact O-N 3.33Å; S289-G291 VanDerWaalsContact C-N 3.31Å
290D46.5Very low43.7Very low77 Ų77122.4 Ų122.441%0.41265%0.651SS.*G310 helixtrans-89.33.1177.8-76.7-23.4000112.4Q286 D292 K293Q286-D290 WeakPolarHBondContact CG-OD2 3.31Å; Q286-D290 VanDerWaalsContact O-CB 3.28Å; Q286-D290 WeakPolarHBondContact O-CB 3.37Å; Q286-D290 PolarHBondContact O-N 3.07Å; D290-D292 PolarHBondContact O-N 2.92Å; D290-D292 VanDerWaalsContact O-N 3.1Å; D290-K293 PolarHBondContact O-N 3.03Å; D290-K293 VanDerWaalsContact O-N 3.15Å
291G40Very low42.4Very low59 Ų59124 Ų12461%0.60867%0.665SS**G310 helixtrans-59.4-13.7168.200000114.3S289S289-G291 VanDerWaalsContact C-N 3.31Å
292D42.2Very low41.1Very low131 Ų131125 Ų12570%0.70168%0.677SS**G310 helixtrans-109.113177.6-71.8-22.8000113.7D290D290-D292 PolarHBondContact O-N 2.92Å; D290-D292 VanDerWaalsContact O-N 3.1Å
293K33.3Very low40.3Very low168 Ų168130.2 Ų130.273%0.7371%0.706SS**  trans-135.741.2-178.5-67.8-167.2179.6-177.80115.5D290D290-K293 PolarHBondContact O-N 3.03Å; D290-K293 VanDerWaalsContact O-N 3.15Å
294M33.5Very low39.1Very low190 Ų190124.4 Ų124.494%0.93670%0.699SS**  trans-112.165.8158.5-71.3-149.1-163.200110.8
295E30.1Very low37.3Very low168 Ų168132.9 Ų132.979%0.78573%0.727SS**  trans-103.2146.8146-74.7-175.5157.600106.8
296D29.6Very low36.6Very low159 Ų159138.1 Ų138.185%0.8574%0.743SS**SBendtrans84.372.9177.9-53.8-22.3000117.6
297S29Very low35.4Very low120 Ų120137.4 Ų137.484%0.83976%0.756SS**  -176.967.9125.742.50000112S299S297-S299 PolarHBondContact O-N 3.45Å
298V29.8Very low34.5Very low137 Ų137137.2 Ų137.283%0.8376%0.757SS**  trans-93.691.1161.2-167.80000107.6S300V298-S300 PolarHBondContact O-N 3.36Å
299S29.1Very low33Very low113 Ų113137.8 Ų137.879%0.7977%0.767SS**  trans-77104160.41760000107.2S297 D301S297-S299 PolarHBondContact O-N 3.45Å; S299-D301 PolarHBondContact O-N 3.02Å
300S29.2Very low31.6Very low94 Ų94137.5 Ų137.566%0.65778%0.777SS**  trans-65.6117.1166-64.30000108.1V298V298-S300 PolarHBondContact O-N 3.36Å
301D28.6Very low30.7Very low153 Ų153139 Ų13982%0.81879%0.794SS**  trans169.387.5149.5-84.4-16.1000109.2S299S299-D301 PolarHBondContact O-N 3.02Å
302D30.8Very low30.1Very low162 Ų162142 Ų14287%0.86680%0.8SS**  trans165.376.1138.7-105.1-29.2000110.1G304D302-G304 VanDerWaalsContact C-N 3.29Å; D302-G304 PolarHBondContact O-N 3.41Å
303V29.9Very low29.4Very low162 Ų162143.9 Ų143.998%0.98281%0.81SS**  trans-95.569.6161.5-171.70000107.5
304G28.3Very low29.3Very low49 Ų49142.2 Ų142.251%0.50581%0.814SS.*  trans-112.295.3-178.700000112.4D302D302-G304 VanDerWaalsContact C-N 3.29Å; D302-G304 PolarHBondContact O-N 3.41Å
305R25.2Very low29.1Very low239 Ų239140.2 Ų140.290%0.90281%0.807SS**  trans47.893.4147.8-62.6177.7176.7172.2-0.4118.1
306Y31.9Very low29Very low217 Ų217137.3 Ų137.385%0.85181%0.805SS**  trans-12180.4141.3-75.5-80.7000109.7
307A28.7Very low29.1Very low96 Ų96134.9 Ų134.979%0.79380%0.798SS**  trans-83.799.315600000106.7
308L33.5Very low29.3Very low153 Ų153137.9 Ų137.980%0.80180%0.799SS**  trans-104103.9166.8-81.7168.1000108.7G310L308-G310 PolarHBondContact O-N 2.87Å
309N24.4Very low29.6Very low166 Ų166139.7 Ų139.789%0.88880%0.798SS**  trans-51.8122.3158.3-76.6-28.2000109.3
310G30.7Very low29.7Very low74 Ų74139.4 Ų139.476%0.76379%0.785SS**  trans-149.6101.1170.900000108.4L308L308-G310 PolarHBondContact O-N 2.87Å
311S26.6Very low29.9Very low110 Ų110138.7 Ų138.777%0.76978%0.78SS**  trans-62.7137.5-175.2-37.50000112.7
312T26.9Very low30.5Very low122 Ų122133.6 Ų133.675%0.74875%0.75SS**  trans37.9103.7143.353.90000117.9
313D28.5Very low30.8Very low170 Ų170134 Ų13491%0.90975%0.747SS**  trans-132.8119.1134-99.8-31.3000109.5N315D313-N315 PolarHBondContact O-N 3.23Å; D313-N315 VanDerWaalsContact O-N 3.11Å
314V32Very low31.1Very low132 Ų132133.3 Ų133.380%0.874%0.738SS**  trans-7395.4179.5179.20000107.4
315N27.4Very low31.7Very low149 Ų149132.8 Ų132.880%0.79773%0.725SS**  trans-17664.7154-90.3-24.3000107.6D313 P317D313-N315 PolarHBondContact O-N 3.23Å; D313-N315 VanDerWaalsContact O-N 3.11Å; N315-P317 VanDerWaalsContact O-CD 3.31Å; N315-P317 WeakPolarHBondContact O-CD 3.48Å
316S29.9Very low32.2Very low106 Ų106132.3 Ų132.374%0.74174%0.74SS**  trans-62.9116.915741.50000106.8E318S316-E318 PolarHBondContact O-N 3.35Å
317P31.7Very low32.3Very low109 Ų109128.1 Ų128.171%0.70874%0.735SS**  trans-59.9118.2170-12.827.4000106N315 E319N315-P317 VanDerWaalsContact O-CD 3.31Å; N315-P317 WeakPolarHBondContact O-CD 3.48Å; P317-E319 PolarHBondContact O-N 3.11Å
318E31.1Very low32.4Very low183 Ų183129.8 Ų129.886%0.85573%0.732SS**  trans-41.2133.6169.1-70.3168.3154.200109S316 M320S316-E318 PolarHBondContact O-N 3.35Å; E318-M320 PolarHBondContact O-N 3.41Å
319E36.1Very low32.4Very low175 Ų175128.5 Ų128.582%0.81873%0.728SS**  trans-25.9103.2175.6-68.1163.8145.800111.7P317 C321P317-E319 PolarHBondContact O-N 3.11Å; E319-C321 PolarHBondContact O-N 3.18Å
320M31.4Very low32.8Very low106 Ų106126.3 Ų126.352%0.52272%0.718SS.*  trans-66.383.9155.5-105.5-169.5-61.900105.9A163 E318 F322A163-M320 HydrophobicContact CB-CE 4.42Å; E318-M320 PolarHBondContact O-N 3.41Å; M320-F322 PolarHBondContact O-N 3.04Å
321C34.8Very low33Very low79 Ų79129.6 Ų129.653%0.53472%0.715SS.*  trans-57.1109.4162.6-74.50000106.2E319 E323E319-C321 PolarHBondContact O-N 3.18Å; C321-E323 PolarHBondContact O-N 3.35Å
322F41.1Very low33.4Very low46 Ų46130.9 Ų130.920%0.20271%0.712CS.*THydrogen-bonded Turntrans-68.414.9-177.2-124.5-94.1000113.1R133 V159 M320 D324 V325R133-F322 HydrophobicContact CG-CD1 4.46Å; V159-F322 HydrophobicContact CG1-CE1 4.38Å; V159-F322 HydrophobicContact CG1-CE2 4.26Å; V159-F322 HydrophobicContact CG1-CZ 3.79Å; M320-F322 PolarHBondContact O-N 3.04Å; F322-D324 VanDerWaalsContact C-N 3.34Å; F322-V325 HydrophobicContact CD1-CG2 3.95Å; F322-V325 HydrophobicContact CE1-CG2 4.21Å
323E35.8Very low33.9Very low172 Ų172131.5 Ų131.580%0.80471%0.709SS**THydrogen-bonded Turntrans-78.4-13.8174.5-66.7-172.5168.100112.5C321 V325C321-E323 PolarHBondContact O-N 3.35Å; E323-V325 PolarHBondContact O-N 3.31Å
324D36.2Very low34.3Very low146 Ų146128.5 Ų128.578%0.78169%0.694SS**  trans-77.324.3173.2-70-23.4000113.8F322F322-D324 VanDerWaalsContact C-N 3.34Å
325V42.6Very low34.5Very low38 Ų38128.3 Ų128.323%0.2369%0.685CS.*  trans-116.272177.1-171.40000108.1Y155 F322 E323Y155-V325 HydrophobicContact CE1-CG1 4.4Å; F322-V325 HydrophobicContact CD1-CG2 3.95Å; F322-V325 HydrophobicContact CE1-CG2 4.21Å; E323-V325 PolarHBondContact O-N 3.31Å
326D35.6Very low35.1Very low230 Ų230126.4 Ų126.4100%1.2368%0.675SS**  trans-68.90162.6-78.8-30.2000111.2

Retrieved 326 of 326 residues in 200.2 ms (Link to these results)

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