A0A096NDA6_PAPAN Loading...

Zinc finger MYND domain-containing protein 10

Plays a role in axonemal structure organization and motility. Involved in axonemal pre-assembly of inner and outer dynein arms (IDA and ODA, respectively) for proper axoneme building for cilia motility. May act by indirectly regulating transcription of dynein proteins.

AlphaFold DB , UniProt , Accession A0A096NDA6, Species PAPAN (Papio anubis, Olive baboon), Gene ZMYND10, Length 440 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.8Very low67.1Low222 Ų22296.5 Ų96.5100%1.09456%0.559SS**  08.20-84.7-171.2-73.200112.5
2G39.9Very low69.2Low72 Ų7289.6 Ų89.674%0.74252%0.522SS*.  trans-95.55.7-179.400000116.2
3D46.3Very low71.1Confident164 Ų16488.6 Ų88.688%0.87751%0.51SS*.  trans-118.621-173.6-66.7-39.4000113.4
4L59.5Low72.8Confident60 Ų6089.5 Ų89.531%0.31452%0.517SS..  trans-102.635.2-179.7-99.4138.9000112.1L6 L48 V383 A386L4-L6 PolarHBondContact O-N 3.36Å; L4-L48 WeakPolarHBondContact O-CD1 3.17Å; L4-V383 HydrophobicContact CD2-CG2 4.46Å; L4-A386 HydrophobicContact CD1-CB 4.14Å; L4-A386 HydrophobicContact CD2-CB 3.7Å
5E61.2Low74.3Confident144 Ų14484.6 Ų84.667%0.67349%0.488SS*.  trans-73.2111.7164.2-79-174.9170.500108.6
6L74.7Confident75.7Confident34 Ų3479.3 Ų79.318%0.17846%0.458CS..  trans-73.7-34.5176.1-97.2162.5000111.6L4 M44 Q45 L48 V383L4-L6 PolarHBondContact O-N 3.36Å; L6-M44 HydrophobicContact CD1-CB 3.43Å; L6-M44 VanDerWaalsContact CD1-CB 3.43Å; L6-M44 HydrophobicContact CD1-SD 4.48Å; L6-Q45 VanDerWaalsContact N-OE1 3.11Å; L6-L48 HydrophobicContact CD1-CD1 3.73Å; L6-L48 HydrophobicContact CG-CD1 4.25Å; L6-V383 HydrophobicContact CD1-CG1 3.64Å; L6-V383 HydrophobicContact CD2-CG1 4Å; L6-V383 HydrophobicContact CD2-CG2 3.74Å; L6-V383 HydrophobicContact CG-CG1 4.11Å; L6-V383 HydrophobicContact CG-CG2 4.18Å
7L82.5Confident76.9Confident11 Ų1183.4 Ų83.46%0.05846%0.464CS..SBendtrans-111.2136.6-176.7-65.9178.7000109.9E11 A12 L15 K41 L42 Q45L7-E11 HydrophobicContact CB-CB 4.38Å; L7-E11 HydrophobicContact CD2-CG 4.05Å; L7-A12 HydrophobicContact CD1-CB 3.89Å; L7-L15 HydrophobicContact CD1-CD1 4.32Å; L7-L15 HydrophobicContact CD2-CD1 3.74Å; L7-K41 HydrophobicContact CD2-CB 3.96Å; L7-K41 HydrophobicContact CD2-CD 4.2Å; L7-L42 HydrophobicContact CD1-CD2 4.05Å; L7-Q45 HydrophobicContact CD1-CB 3.94Å; L7-Q45 HydrophobicContact CD1-CG 4.13Å; L7-Q45 HydrophobicContact CG-CB 4.37Å
8L81.6Confident78Confident129 Ų12981.4 Ų81.468%0.67547%0.466SS*.  trans-69.2156.6173.8-64.8173.8000110.7G10 E11L8-G10 PolarHBondContact O-N 3.12Å; L8-E11 HydrophobicContact CB-CB 4.3Å; L8-E11 PolarHBondContact N-OE2 3.28Å; L8-E11 WeakPolarHBondContact O-CB 3.33Å; L8-E11 PolarHBondContact O-N 3.48Å
9P77.9Confident79Confident118 Ų11877.4 Ų77.477%0.76644%0.443SS*.THydrogen-bonded Turntrans-51.8124.4174.6-28.235.1000112.3E11P9-E11 VanDerWaalsContact C-N 3.28Å; P9-E11 PolarHBondContact O-N 3.43Å
10G83.6Confident79.9Confident49 Ų4980.7 Ų80.751%0.50545%0.448SS..THydrogen-bonded Turntrans82.2-11.1-17800000115.5L8 E13 V14L8-G10 PolarHBondContact O-N 3.12Å; G10-E13 PolarHBondContact O-N 2.78Å; G10-V14 PolarHBondContact O-N 3.45Å
11E91.2Very high80.7Confident58 Ų5878.9 Ų78.927%0.27144%0.441SS..Hα-helixtrans-64.2-43.5176.4-171.8178.3178.100110.9L7 L8 P9 E13 V14 L15L7-E11 HydrophobicContact CB-CB 4.38Å; L7-E11 HydrophobicContact CD2-CG 4.05Å; L8-E11 HydrophobicContact CB-CB 4.3Å; L8-E11 PolarHBondContact N-OE2 3.28Å; L8-E11 WeakPolarHBondContact O-CB 3.33Å; L8-E11 PolarHBondContact O-N 3.48Å; P9-E11 VanDerWaalsContact C-N 3.28Å; P9-E11 PolarHBondContact O-N 3.43Å; E11-E13 VanDerWaalsContact C-N 3.28Å; E11-E13 PolarHBondContact O-N 3.45Å; E11-V14 PolarHBondContact O-N 3Å; E11-V14 VanDerWaalsContact O-N 3.09Å; E11-L15 HydrophobicContact CG-CD1 4.36Å; E11-L15 HydrophobicContact CG-CG 4.31Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 3.2Å
12A92.1Very high83.3Confident14 Ų1468.9 Ų68.912%0.11639%0.391CS..Hα-helixtrans-54.9-41.6177.300000112.9L7 V14 L15 V16 L42 I58 L61L7-A12 HydrophobicContact CD1-CB 3.89Å; A12-V14 PolarHBondContact O-N 3.32Å; A12-L15 PolarHBondContact O-N 2.91Å; A12-V16 WeakPolarHBondContact O-CB 3.2Å; A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.48Å; A12-V16 PolarHBondContact O-N 2.86Å; A12-L42 HydrophobicContact CB-CD2 4.3Å; A12-I58 HydrophobicContact CB-CD1 3.69Å; A12-L61 HydrophobicContact CB-CD1 3.82Å
13E93.9Very high86Confident77 Ų7768.3 Ų68.336%0.3637%0.374SS..Hα-helixtrans-62.1-45.9177.5-172-167.7149.500110.9G10 E11 L15 V16 R17 L61 H65G10-E13 PolarHBondContact O-N 2.78Å; E11-E13 VanDerWaalsContact C-N 3.28Å; E11-E13 PolarHBondContact O-N 3.45Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 3.44Å; E13-V16 PolarHBondContact O-N 2.92Å; E13-R17 HydrophobicContact CG-CG 4.4Å; E13-R17 WeakPolarHBondContact O-CB 3.3Å; E13-R17 WeakPolarHBondContact O-CG 3.45Å; E13-R17 PolarHBondContact O-N 2.77Å; E13-R17 IonicContact OE1-NH1 3.08Å; E13-R17 PolarHBondContact OE1-NH1 3.46Å; E13-R17 VanDerWaalsContact OE1-NH1 3.08Å; E13-L61 HydrophobicContact CB-CD1 4.39Å; E13-L61 HydrophobicContact CB-CD2 3.94Å; E13-L61 HydrophobicContact CG-CD2 3.87Å; E13-H65 IonicContact OE1-NE2 3.81Å
14V95.3Very high88.3Confident101 Ų10160.6 Ų60.661%0.61233%0.333SS*.Hα-helixtrans-61.4-45.2178.8177.20000110.7G10 E11 A12 R17 G18G10-V14 PolarHBondContact O-N 3.45Å; E11-V14 PolarHBondContact O-N 3Å; E11-V14 VanDerWaalsContact O-N 3.09Å; A12-V14 PolarHBondContact O-N 3.32Å; V14-R17 PolarHBondContact O-N 3.22Å; V14-G18 PolarHBondContact O-N 3.25Å; V14-G18 VanDerWaalsContact O-N 3.07Å
15L95.6Very high90Very high16 Ų1664.2 Ų64.28%0.08434%0.342CS..Hα-helixtrans-63.4-47.5179.3-63.2-171.6000111.5L7 E11 A12 E13 R17 G18 L19 N38 K41 L42L7-L15 HydrophobicContact CD1-CD1 4.32Å; L7-L15 HydrophobicContact CD2-CD1 3.74Å; E11-L15 HydrophobicContact CG-CD1 4.36Å; E11-L15 HydrophobicContact CG-CG 4.31Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 3.2Å; A12-L15 PolarHBondContact O-N 2.91Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 3.44Å; L15-R17 PolarHBondContact O-N 2.79Å; L15-G18 PolarHBondContact O-N 2.67Å; L15-L19 PolarHBondContact O-N 3.49Å; L15-N38 HydrophobicContact CD1-CB 4.43Å; L15-N38 HydrophobicContact CD2-CB 3.96Å; L15-K41 HydrophobicContact CD1-CB 4.42Å; L15-K41 HydrophobicContact CD1-CD 4.5Å; L15-L42 HydrophobicContact CB-CD1 3.98Å; L15-L42 HydrophobicContact CB-CD2 4.02Å; L15-L42 HydrophobicContact CB-CG 4.07Å; L15-L42 HydrophobicContact CD1-CD2 4.39Å; L15-L42 HydrophobicContact CD1-CG 4.3Å
16V96.9Very high91.6Very high0 Ų060.3 Ų60.30%032%0.324CS..Hα-helixtrans-60.4-47.5178.2168.40000110.8A12 E13 G18 L19 L42 L61 L62 H65 K67A12-V16 WeakPolarHBondContact O-CB 3.2Å; A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.48Å; A12-V16 PolarHBondContact O-N 2.86Å; E13-V16 PolarHBondContact O-N 2.92Å; V16-G18 PolarHBondContact O-N 3.33Å; V16-L19 WeakPolarHBondContact O-CB 3.5Å; V16-L19 WeakPolarHBondContact O-CG 3.36Å; V16-L19 PolarHBondContact O-N 3.4Å; V16-L19 VanDerWaalsContact O-N 3.15Å; V16-L42 HydrophobicContact CG2-CD1 3.91Å; V16-L42 HydrophobicContact CG2-CD2 3.8Å; V16-L61 HydrophobicContact CB-CB 4.31Å; V16-L61 HydrophobicContact CG1-CB 4.15Å; V16-L61 HydrophobicContact CG2-CB 4.06Å; V16-L62 HydrophobicContact CG1-CD2 4.07Å; V16-L62 HydrophobicContact CG2-CD2 4.3Å; V16-H65 HydrophobicContact CG1-CB 4.17Å; V16-K67 HydrophobicContact CG1-CB 4.36Å; V16-K67 HydrophobicContact CG1-CG 3.85Å; V16-K67 VanDerWaalsContact O-CE 3.22Å; V16-K67 WeakPolarHBondContact O-CE 3.18Å; V16-K67 WeakPolarHBondContact O-CG 3.42Å
17R96.1Very high92.6Very high148 Ų14858.7 Ų58.756%0.55832%0.316SS*.Hα-helixtrans-60.4-34.3178.9-72.8174.568.8169.2-0.1112.6E13 V14 L15 L19 H65 K67E13-R17 HydrophobicContact CG-CG 4.4Å; E13-R17 WeakPolarHBondContact O-CB 3.3Å; E13-R17 WeakPolarHBondContact O-CG 3.45Å; E13-R17 PolarHBondContact O-N 2.77Å; E13-R17 IonicContact OE1-NH1 3.08Å; E13-R17 PolarHBondContact OE1-NH1 3.46Å; E13-R17 VanDerWaalsContact OE1-NH1 3.08Å; V14-R17 PolarHBondContact O-N 3.22Å; L15-R17 PolarHBondContact O-N 2.79Å; R17-L19 VanDerWaalsContact C-N 3.31Å; R17-L19 PolarHBondContact O-N 3.42Å; R17-H65 WeakPolarHBondContact CG-NE2 3.27Å; R17-K67 WeakPolarHBondContact O-CE 3.49Å; R17-K67 PolarHBondContact O-NZ 3.05Å
18G96.1Very high93Very high49 Ų4958.3 Ų58.351%0.50532%0.315SS..Hα-helixtrans-71.8-16.4179.400000115.3V14 L15 V16 R20V14-G18 PolarHBondContact O-N 3.25Å; V14-G18 VanDerWaalsContact O-N 3.07Å; L15-G18 PolarHBondContact O-N 2.67Å; V16-G18 PolarHBondContact O-N 3.33Å; G18-R20 PolarHBondContact O-N 2.81Å
19L97.5Very high93.5Very high4 Ų453.6 Ų53.62%0.02129%0.292CS..  trans-59.3130.2-179.9-64.1175.3000111.4L15 V16 R17 Q35 L39 L42 L62 K67 L71L15-L19 PolarHBondContact O-N 3.49Å; V16-L19 WeakPolarHBondContact O-CB 3.5Å; V16-L19 WeakPolarHBondContact O-CG 3.36Å; V16-L19 PolarHBondContact O-N 3.4Å; V16-L19 VanDerWaalsContact O-N 3.15Å; R17-L19 VanDerWaalsContact C-N 3.31Å; R17-L19 PolarHBondContact O-N 3.42Å; L19-Q35 HydrophobicContact CD2-CG 4.04Å; L19-L39 HydrophobicContact CD2-CD1 4.06Å; L19-L42 HydrophobicContact CD1-CD1 4.27Å; L19-L42 HydrophobicContact CD2-CD1 4.44Å; L19-L62 HydrophobicContact CD1-CD2 4Å; L19-K67 HydrophobicContact CB-CD 4.17Å; L19-K67 HydrophobicContact CD1-CB 4.27Å; L19-K67 PolarHBondContact O-NZ 3.39Å; L19-L71 HydrophobicContact CD1-CD2 4.07Å
20R96.8Very high94.1Very high144 Ų14455.4 Ų55.454%0.54329%0.291SS..  trans-148.1160.9179.266.3-179.8-174.2-172.10111.3G18 F22 Q35G18-R20 PolarHBondContact O-N 2.81Å; R20-F22 HydrophobicContact CG-CD2 4.36Å; R20-F22 HydrophobicContact CG-CE2 3.81Å; R20-F22 HydrophobicContact CG-CZ 4.25Å; R20-F22 VanDerWaalsContact NE-CZ 3.34Å; R20-Q35 PolarHBondContact O-NE2 3.37Å; R20-Q35 PolarHBondContact O-OE1 2.87Å
21S95.5Very high94.5Very high43 Ų4354.6 Ų54.630%0.30128%0.283SS..  trans-81.5146.6174.1-50.50000112E74S21-E74 WeakPolarHBondContact CA-OE1 3.32Å
22F95.8Very high94.7Very high11 Ų1151.9 Ų51.95%0.04827%0.27CS..  trans-115.3139.1177.3-76.2-97.3000111.7R20 E26 G31 W32 Q35 E74R20-F22 HydrophobicContact CG-CD2 4.36Å; R20-F22 HydrophobicContact CG-CE2 3.81Å; R20-F22 HydrophobicContact CG-CZ 4.25Å; R20-F22 VanDerWaalsContact NE-CZ 3.34Å; F22-E26 HydrophobicContact CD1-CB 4.36Å; F22-G31 WeakPolarHBondContact CZ-O 3.07Å; F22-W32 HydrophobicContact CD1-CB 3.96Å; F22-W32 AromaticContact CD2-CD1 3.76Å; F22-W32 HydrophobicContact CE1-CB 3.97Å; F22-W32 HydrophobicContact CG-CB 4.24Å; F22-W32 AromaticContact CG-CD1 3.67Å; F22-W32 HydrophobicContact CG-CG 4.37Å; F22-W32 HydrophobicContact CZ-CB 4.28Å; F22-Q35 HydrophobicContact CE2-CB 3.95Å; F22-Q35 HydrophobicContact CE2-CG 4.36Å; F22-Q35 HydrophobicContact CZ-CB 4.39Å; F22-E74 PolarHBondContact N-OE1 2.97Å
23P95.2Very high94.7Very high61 Ų6152 Ų5240%0.39627%0.269SS..  trans-60.1144.9169.5-2233.2000111.4R25 E26P23-R25 HydrophobicContact CB-CG 4.3Å; P23-R25 PolarHBondContact O-N 3.45Å; P23-E26 HydrophobicContact CB-CG 4.49Å; P23-E26 PolarHBondContact O-N 2.92Å
24L95.4Very high94.6Very high1 Ų151.7 Ų51.71%0.00527%0.267CS..G310 helixtrans-52.4-31.8-179.4-65.8-179.9000114.1E26 M27 A77 M80 W81 N345 W349 I352 Q356L24-E26 VanDerWaalsContact C-N 3.26Å; L24-E26 PolarHBondContact O-N 3.18Å; L24-M27 HydrophobicContact CD2-CE 3.62Å; L24-M27 HydrophobicContact CD2-SD 3.85Å; L24-A77 HydrophobicContact CD2-CB 4.06Å; L24-A77 VanDerWaalsContact CD2-O 3.27Å; L24-A77 WeakPolarHBondContact CD2-O 3.42Å; L24-M80 HydrophobicContact CD1-CG 4.23Å; L24-M80 HydrophobicContact CD1-SD 3.82Å; L24-W81 HydrophobicContact CD2-CB 4.18Å; L24-N345 HydrophobicContact CD1-CB 4.12Å; L24-W349 HydrophobicContact CD1-CH2 4.48Å; L24-W349 HydrophobicContact CD1-CZ3 3.77Å; L24-I352 HydrophobicContact CB-CD1 4.5Å; L24-Q356 PolarHBondContact O-NE2 3.41Å
25R95.3Very high94.6Very high136 Ų13647.6 Ų47.651%0.51324%0.241SC..G310 helixtrans-70.3-19.6178.477.5-174.3-179.7-170.4-3114.2P23 I352 Q356P23-R25 HydrophobicContact CB-CG 4.3Å; P23-R25 PolarHBondContact O-N 3.45Å; R25-I352 HydrophobicContact CB-CG1 4.45Å; R25-I352 HydrophobicContact CB-CG2 4.4Å; R25-Q356 WeakPolarHBondContact O-CG 3.49Å
26E95Very high94.5Very high62 Ų6246.8 Ų46.829%0.2924%0.237SC..G310 helixtrans-100.1-2.1-176.7-63.5178.3-155.900112.1F22 P23 L24 G28 S29 W32F22-E26 HydrophobicContact CD1-CB 4.36Å; P23-E26 HydrophobicContact CB-CG 4.49Å; P23-E26 PolarHBondContact O-N 2.92Å; L24-E26 VanDerWaalsContact C-N 3.26Å; L24-E26 PolarHBondContact O-N 3.18Å; E26-G28 PolarHBondContact O-N 2.84Å; E26-S29 WeakPolarHBondContact O-CB 3.5Å; E26-S29 PolarHBondContact O-N 3.4Å; E26-S29 PolarHBondContact O-OG 3.35Å; E26-W32 WeakPolarHBondContact O-CB 3.29Å
27M94.8Very high94.2Very high0 Ų047.2 Ų47.20%024%0.239CC..THydrogen-bonded Turntrans-60.7129.5174.1-70.1-179.5164.400110.8L24 S29 A77 V78 W81 V106 Q356L24-M27 HydrophobicContact CD2-CE 3.62Å; L24-M27 HydrophobicContact CD2-SD 3.85Å; M27-S29 VanDerWaalsContact C-N 3.31Å; M27-A77 VanDerWaalsContact CE-C 3.45Å; M27-A77 HydrophobicContact CE-CB 3.49Å; M27-A77 VanDerWaalsContact CE-CB 3.49Å; M27-V78 HydrophobicContact CE-CG2 3.99Å; M27-W81 HydrophobicContact CE-CB 4.43Å; M27-W81 HydrophobicContact SD-CB 3.42Å; M27-W81 WeakPolarHBondContact SD-CB 3.31Å; M27-W81 HydrophobicContact SD-CD2 4.41Å; M27-W81 HydrophobicContact SD-CG 3.53Å; M27-W81 VanDerWaalsContact SD-CG 3.53Å; M27-V106 HydrophobicContact CB-CG1 4.13Å; M27-V106 HydrophobicContact SD-CG1 4.46Å; M27-Q356 PolarHBondContact O-NE2 2.98Å
28G90.6Very high94.1Very high4 Ų441.8 Ų41.84%0.04122%0.221CC..THydrogen-bonded Turntrans83.9-4.7-17300000114.8E26 W32 N33 V360E26-G28 PolarHBondContact O-N 2.84Å; G28-W32 VanDerWaalsContact N-CE3 3.31Å; G28-N33 PolarHBondContact O-ND2 2.9Å; G28-V360 WeakPolarHBondContact O-CG1 3.35Å
29S92.6Very high94Very high29 Ų2939.5 Ų39.520%0.20320%0.198CC..SBendtrans-64.7164.617468.20000111.6E26 M27 G31 W32 N33E26-S29 WeakPolarHBondContact O-CB 3.5Å; E26-S29 PolarHBondContact O-N 3.4Å; E26-S29 PolarHBondContact O-OG 3.35Å; M27-S29 VanDerWaalsContact C-N 3.31Å; S29-G31 VanDerWaalsContact C-N 3.34Å; S29-G31 PolarHBondContact O-N 3.33Å; S29-W32 PolarHBondContact O-N 2.88Å; S29-W32 VanDerWaalsContact O-N 3.1Å; S29-W32 PolarHBondContact OG-N 2.61Å; S29-N33 PolarHBondContact O-N 3.01Å; S29-N33 PolarHBondContact O-ND2 2.95Å
30E90.6Very high93.7Very high156 Ų15639.9 Ų39.973%0.72920%0.199SC*.Hα-helixtrans-54.4-47.2179.5-173.8-177.8-176.200112.7W32 N33 Q34E30-W32 VanDerWaalsContact C-N 3.31Å; E30-W32 PolarHBondContact O-N 2.81Å; E30-N33 PolarHBondContact O-N 3.43Å; E30-Q34 PolarHBondContact O-N 3.21Å
31G92.8Very high93.4Very high33 Ų3335.8 Ų35.834%0.3419%0.185SC..Hα-helixtrans-64.4-36.4178.500000112.9F22 S29 Q35F22-G31 WeakPolarHBondContact CZ-O 3.07Å; S29-G31 VanDerWaalsContact C-N 3.34Å; S29-G31 PolarHBondContact O-N 3.33Å; G31-Q35 PolarHBondContact O-N 2.94Å
32W95.5Very high93.4Very high0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-69.5-43.2175.3-179.192.4000111.2F22 E26 G28 S29 E30 Q34 Q35 H36 V106 H109F22-W32 HydrophobicContact CD1-CB 3.96Å; F22-W32 AromaticContact CD2-CD1 3.76Å; F22-W32 HydrophobicContact CE1-CB 3.97Å; F22-W32 HydrophobicContact CG-CB 4.24Å; F22-W32 AromaticContact CG-CD1 3.67Å; F22-W32 HydrophobicContact CG-CG 4.37Å; F22-W32 HydrophobicContact CZ-CB 4.28Å; E26-W32 WeakPolarHBondContact O-CB 3.29Å; G28-W32 VanDerWaalsContact N-CE3 3.31Å; S29-W32 PolarHBondContact O-N 2.88Å; S29-W32 VanDerWaalsContact O-N 3.1Å; S29-W32 PolarHBondContact OG-N 2.61Å; E30-W32 VanDerWaalsContact C-N 3.31Å; E30-W32 PolarHBondContact O-N 2.81Å; W32-Q34 VanDerWaalsContact C-N 3.29Å; W32-Q34 PolarHBondContact O-N 2.91Å; W32-Q35 PolarHBondContact O-N 2.83Å; W32-Q35 VanDerWaalsContact O-N 3.1Å; W32-H36 HydrophobicContact CE3-CB 4.34Å; W32-H36 HydrophobicContact CH2-CB 4.1Å; W32-H36 HydrophobicContact CZ3-CB 3.94Å; W32-H36 PolarHBondContact O-N 2.85Å; W32-V106 VanDerWaalsContact CH2-CA 3.5Å; W32-V106 HydrophobicContact CH2-CB 4.22Å; W32-V106 HydrophobicContact CH2-CG2 3.97Å; W32-V106 HydrophobicContact CZ2-CG1 4.43Å; W32-V106 HydrophobicContact CZ2-CG2 4.43Å; W32-V106 HydrophobicContact CZ3-CG2 4.03Å; W32-H109 AromaticContact CE2-CD2 3.73Å; W32-H109 HydrophobicContact CH2-CB 3.63Å; W32-H109 AromaticContact CH2-CG 3.95Å; W32-H109 HydrophobicContact CZ2-CB 3.5Å; W32-H109 VanDerWaalsContact CZ2-CB 3.5Å; W32-H109 AromaticContact CZ2-CD2 3.22Å; W32-H109 WeakPolarHBondContact CZ2-CD2 3.31Å; W32-H109 AromaticContact CZ2-CG 3.49Å; W32-H109 VanDerWaalsContact CZ2-CG 3.49Å; W32-H109 AromaticContact NE1-CD2 3.83Å
33N91.7Very high93.2Very high17 Ų1733.4 Ų33.49%0.09117%0.17CC..Hα-helixtrans-61.6-39.2177.6-71.7-38.5000111.3G28 S29 E30 Q35 H36 E37 Q371G28-N33 PolarHBondContact O-ND2 2.9Å; S29-N33 PolarHBondContact O-N 3.01Å; S29-N33 PolarHBondContact O-ND2 2.95Å; E30-N33 PolarHBondContact O-N 3.43Å; N33-Q35 VanDerWaalsContact C-N 3.32Å; N33-Q35 PolarHBondContact O-N 2.79Å; N33-H36 WeakPolarHBondContact O-CB 3.43Å; N33-H36 PolarHBondContact O-N 3.13Å; N33-E37 WeakPolarHBondContact O-CG 3.41Å; N33-E37 PolarHBondContact O-N 2.95Å; N33-Q371 VanDerWaalsContact CG-NE2 3.3Å; N33-Q371 PolarHBondContact ND2-NE2 3.46Å; N33-Q371 VanDerWaalsContact ND2-NE2 3.19Å; N33-Q371 PolarHBondContact OD1-NE2 3.21Å
34Q91.9Very high92.9Very high70 Ų7030.7 Ų30.733%0.32715%0.152SC..Hα-helixtrans-63.1-40.2175.5-16960.773.300111.9E30 W32 E37 N38E30-Q34 PolarHBondContact O-N 3.21Å; W32-Q34 VanDerWaalsContact C-N 3.29Å; W32-Q34 PolarHBondContact O-N 2.91Å; Q34-E37 PolarHBondContact NE2-OE2 3.08Å; Q34-N38 PolarHBondContact NE2-OD1 3.07Å; Q34-N38 WeakPolarHBondContact O-CB 3.38Å; Q34-N38 PolarHBondContact O-N 3.06Å; Q34-N38 PolarHBondContact O-ND2 3.49Å; Q34-N38 PolarHBondContact O-OD1 3.49Å
35Q94.8Very high92.6Very high15 Ų1531.4 Ų31.47%0.0716%0.155CC..Hα-helixtrans-66.8-38.9173.8-178.8166.5-74.700111.9L19 R20 F22 G31 W32 N33 E37 N38 L39 E74L19-Q35 HydrophobicContact CD2-CG 4.04Å; R20-Q35 PolarHBondContact O-NE2 3.37Å; R20-Q35 PolarHBondContact O-OE1 2.87Å; F22-Q35 HydrophobicContact CE2-CB 3.95Å; F22-Q35 HydrophobicContact CE2-CG 4.36Å; F22-Q35 HydrophobicContact CZ-CB 4.39Å; G31-Q35 PolarHBondContact O-N 2.94Å; W32-Q35 PolarHBondContact O-N 2.83Å; W32-Q35 VanDerWaalsContact O-N 3.1Å; N33-Q35 VanDerWaalsContact C-N 3.32Å; N33-Q35 PolarHBondContact O-N 2.79Å; Q35-E37 PolarHBondContact O-N 2.69Å; Q35-N38 PolarHBondContact O-N 3.14Å; Q35-L39 WeakPolarHBondContact O-CB 3.36Å; Q35-L39 PolarHBondContact O-N 2.72Å; Q35-E74 PolarHBondContact NE2-OE2 2.95Å
36H93.6Very high92.4Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-59-46.6175.9178.564.9000111.7W32 N33 N38 L39 E40 H108 H109 W375W32-H36 HydrophobicContact CE3-CB 4.34Å; W32-H36 HydrophobicContact CH2-CB 4.1Å; W32-H36 HydrophobicContact CZ3-CB 3.94Å; W32-H36 PolarHBondContact O-N 2.85Å; N33-H36 WeakPolarHBondContact O-CB 3.43Å; N33-H36 PolarHBondContact O-N 3.13Å; H36-N38 PolarHBondContact O-N 3.4Å; H36-L39 PolarHBondContact O-N 2.98Å; H36-E40 PolarHBondContact O-N 3.37Å; H36-H108 AromaticContact CE1-ND1 3.83Å; H36-H109 VanDerWaalsContact CE1-CA 3.48Å; H36-H109 WeakPolarHBondContact CE1-CA 3.28Å; H36-H109 AromaticContact CE1-ND1 3.83Å; H36-H109 AromaticContact CG-ND1 3.89Å; H36-H109 WeakPolarHBondContact ND1-CB 3.36Å; H36-H109 AromaticContact ND1-CE1 3.78Å; H36-H109 AromaticContact ND1-CG 3.42Å; H36-H109 AromaticContact ND1-ND1 2.92Å; H36-H109 PolarHBondContact ND1-ND1 2.92Å; H36-W375 AromaticContact CD2-CH2 3.6Å; H36-W375 AromaticContact CD2-CZ3 3.25Å; H36-W375 WeakPolarHBondContact CD2-CZ3 3.08Å; H36-W375 AromaticContact CE1-CH2 3.77Å; H36-W375 AromaticContact NE2-CH2 2.9Å; H36-W375 WeakPolarHBondContact NE2-CH2 3.41Å; H36-W375 AromaticContact NE2-CZ2 3.95Å; H36-W375 AromaticContact NE2-CZ3 3.13Å; H36-W375 WeakPolarHBondContact NE2-CZ3 3.21Å
37E91.3Very high92.1Very high9 Ų923.6 Ų23.64%0.04213%0.126CC..Hα-helixtrans-58.6-46.1173.2-69.8170.9-168.200111.8N33 Q34 Q35 L39 E40 K41 R374N33-E37 WeakPolarHBondContact O-CG 3.41Å; N33-E37 PolarHBondContact O-N 2.95Å; Q34-E37 PolarHBondContact NE2-OE2 3.08Å; Q35-E37 PolarHBondContact O-N 2.69Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 3.46Å; E37-E40 PolarHBondContact O-N 3.38Å; E37-K41 WeakPolarHBondContact O-CG 3.32Å; E37-K41 PolarHBondContact O-N 3.25Å; E37-K41 VanDerWaalsContact O-N 3.09Å; E37-R374 WeakPolarHBondContact OE1-CD 3.42Å
38N92.8Very high91.7Very high33 Ų3323.8 Ų23.818%0.17613%0.127CC..Hα-helixtrans-62.8-42.6179.3-66.5-11.7000111.7L15 Q34 Q35 H36 E40 K41 L42L15-N38 HydrophobicContact CD1-CB 4.43Å; L15-N38 HydrophobicContact CD2-CB 3.96Å; Q34-N38 PolarHBondContact NE2-OD1 3.07Å; Q34-N38 WeakPolarHBondContact O-CB 3.38Å; Q34-N38 PolarHBondContact O-N 3.06Å; Q34-N38 PolarHBondContact O-ND2 3.49Å; Q34-N38 PolarHBondContact O-OD1 3.49Å; Q35-N38 PolarHBondContact O-N 3.14Å; H36-N38 PolarHBondContact O-N 3.4Å; N38-E40 VanDerWaalsContact C-N 3.32Å; N38-K41 PolarHBondContact O-N 2.93Å; N38-L42 WeakPolarHBondContact O-CG 3.4Å; N38-L42 PolarHBondContact O-N 3.4Å
39L94.6Very high91.4Very high2 Ų224.3 Ų24.31%0.0113%0.129CC..Hα-helixtrans-63.6-40.8177.4-170.782000110.9L19 Q35 H36 E37 K41 L42 N43 L71 H109 I113 L116L19-L39 HydrophobicContact CD2-CD1 4.06Å; Q35-L39 WeakPolarHBondContact O-CB 3.36Å; Q35-L39 PolarHBondContact O-N 2.72Å; H36-L39 PolarHBondContact O-N 2.98Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 3.46Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.15Å; L39-L42 WeakPolarHBondContact O-CB 3.47Å; L39-L42 PolarHBondContact O-N 2.85Å; L39-N43 VanDerWaalsContact O-CB 3.32Å; L39-N43 WeakPolarHBondContact O-CB 3.49Å; L39-N43 PolarHBondContact O-N 3.29Å; L39-L71 HydrophobicContact CD1-CD2 3.49Å; L39-L71 VanDerWaalsContact CD1-CD2 3.49Å; L39-H109 WeakPolarHBondContact CD2-CE1 3.45Å; L39-I113 HydrophobicContact CD2-CB 4.21Å; L39-I113 HydrophobicContact CD2-CD1 4.42Å; L39-I113 HydrophobicContact CD2-CG1 3.28Å; L39-L116 HydrophobicContact CD1-CD2 3.72Å; L39-L116 HydrophobicContact CG-CD2 4.41Å
40E91.7Very high91Very high11 Ų1124.7 Ų24.75%0.05113%0.134CC..Hα-helixtrans-65-39.4179.3-167.263.7-164.800111.8H36 E37 N38 N43 M44 S112 T378 Y379H36-E40 PolarHBondContact O-N 3.37Å; E37-E40 PolarHBondContact O-N 3.38Å; N38-E40 VanDerWaalsContact C-N 3.32Å; E40-N43 WeakPolarHBondContact O-CB 3.49Å; E40-N43 PolarHBondContact O-N 3.13Å; E40-M44 HydrophobicContact CG-CE 3.74Å; E40-M44 PolarHBondContact O-N 2.96Å; E40-S112 WeakPolarHBondContact OE2-CB 3.25Å; E40-S112 PolarHBondContact OE2-OG 3.27Å; E40-T378 HydrophobicContact CB-CG2 4Å; E40-T378 HydrophobicContact CG-CG2 3.82Å; E40-Y379 HydrophobicContact CG-CE1 4.49Å; E40-Y379 HydrophobicContact CG-CE2 3.82Å; E40-Y379 VanDerWaalsContact CG-OH 3.22Å; E40-Y379 WeakPolarHBondContact CG-OH 3.29Å; E40-Y379 PolarHBondContact OE1-OH 2.92Å; E40-Y379 PolarHBondContact OE2-OH 3.39Å
41K90.9Very high90.5Very high58 Ų5821.4 Ų21.425%0.25213%0.125SC..Hα-helixtrans-62.2-44.4172.9-66.9175.6178.5-177.70112.2L7 L15 E37 N38 L39 N43 M44 Q45 T378L7-K41 HydrophobicContact CD2-CB 3.96Å; L7-K41 HydrophobicContact CD2-CD 4.2Å; L15-K41 HydrophobicContact CD1-CB 4.42Å; L15-K41 HydrophobicContact CD1-CD 4.5Å; E37-K41 WeakPolarHBondContact O-CG 3.32Å; E37-K41 PolarHBondContact O-N 3.25Å; E37-K41 VanDerWaalsContact O-N 3.09Å; N38-K41 PolarHBondContact O-N 2.93Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.15Å; K41-N43 VanDerWaalsContact C-N 3.32Å; K41-N43 PolarHBondContact O-N 3.21Å; K41-M44 PolarHBondContact O-N 3.42Å; K41-Q45 WeakPolarHBondContact O-CB 3.22Å; K41-Q45 PolarHBondContact O-N 3.37Å; K41-T378 HydrophobicContact CG-CG2 4.3Å
42L93.8Very high89.9Confident0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-60.9-42.7175.3-70.6171.5000111.5L7 A12 L15 V16 L19 N38 L39 Q45 A46 I58L7-L42 HydrophobicContact CD1-CD2 4.05Å; A12-L42 HydrophobicContact CB-CD2 4.3Å; L15-L42 HydrophobicContact CB-CD1 3.98Å; L15-L42 HydrophobicContact CB-CD2 4.02Å; L15-L42 HydrophobicContact CB-CG 4.07Å; L15-L42 HydrophobicContact CD1-CD2 4.39Å; L15-L42 HydrophobicContact CD1-CG 4.3Å; V16-L42 HydrophobicContact CG2-CD1 3.91Å; V16-L42 HydrophobicContact CG2-CD2 3.8Å; L19-L42 HydrophobicContact CD1-CD1 4.27Å; L19-L42 HydrophobicContact CD2-CD1 4.44Å; N38-L42 WeakPolarHBondContact O-CG 3.4Å; N38-L42 PolarHBondContact O-N 3.4Å; L39-L42 WeakPolarHBondContact O-CB 3.47Å; L39-L42 PolarHBondContact O-N 2.85Å; L42-Q45 PolarHBondContact O-N 3.43Å; L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 3.1Å; L42-I58 HydrophobicContact CD2-CD1 3.87Å
43N93Very high88.6Confident4 Ų429 Ų292%0.02117%0.165CC..Hα-helixtrans-59.6-52.2176.6-179.338.5000111.4L39 E40 K41 Q45 A46 I47 N115 L116L39-N43 VanDerWaalsContact O-CB 3.32Å; L39-N43 WeakPolarHBondContact O-CB 3.49Å; L39-N43 PolarHBondContact O-N 3.29Å; E40-N43 WeakPolarHBondContact O-CB 3.49Å; E40-N43 PolarHBondContact O-N 3.13Å; K41-N43 VanDerWaalsContact C-N 3.32Å; K41-N43 PolarHBondContact O-N 3.21Å; N43-Q45 PolarHBondContact O-N 3.21Å; N43-A46 PolarHBondContact O-N 3.45Å; N43-I47 VanDerWaalsContact O-CG1 3.31Å; N43-I47 WeakPolarHBondContact O-CG1 3.41Å; N43-I47 PolarHBondContact O-N 3Å; N43-I47 VanDerWaalsContact O-N 3.11Å; N43-N115 VanDerWaalsContact CG-ND2 3.31Å; N43-N115 PolarHBondContact ND2-ND2 3.46Å; N43-N115 PolarHBondContact OD1-ND2 2.67Å; N43-L116 HydrophobicContact CB-CB 4.16Å; N43-L116 WeakPolarHBondContact OD1-CA 3.34Å; N43-L116 PolarHBondContact OD1-N 2.67Å; N43-L116 VanDerWaalsContact OD1-N 3.14Å
44M89.2Confident87.4Confident4 Ų434.3 Ų34.32%0.0219%0.189CC..Hα-helixtrans-63.4-40.9178.8-73.3-173.9-83.500112.5L6 E40 K41 I47 L48 T378 V383 V387L6-M44 HydrophobicContact CD1-CB 3.43Å; L6-M44 VanDerWaalsContact CD1-CB 3.43Å; L6-M44 HydrophobicContact CD1-SD 4.48Å; E40-M44 HydrophobicContact CG-CE 3.74Å; E40-M44 PolarHBondContact O-N 2.96Å; K41-M44 PolarHBondContact O-N 3.42Å; M44-I47 PolarHBondContact O-N 3.36Å; M44-L48 WeakPolarHBondContact O-CG 3.2Å; M44-L48 PolarHBondContact O-N 2.98Å; M44-T378 HydrophobicContact CE-CG2 3.33Å; M44-T378 WeakPolarHBondContact CE-O 3.4Å; M44-V383 HydrophobicContact CB-CG1 4.47Å; M44-V383 HydrophobicContact CG-CG1 4.47Å; M44-V383 HydrophobicContact SD-CG1 3.45Å; M44-V383 WeakPolarHBondContact SD-CG1 3.49Å; M44-V387 HydrophobicContact CB-CG1 4.23Å; M44-V387 HydrophobicContact CG-CG1 4.48Å
45Q89.1Confident86.3Confident16 Ų1633.7 Ų33.78%0.07520%0.201CC..Hα-helixtrans-61.8-44.9175.7-172.963.85800111.4L6 L7 K41 L42 N43 I47 L48 D49 I58L6-Q45 VanDerWaalsContact N-OE1 3.11Å; L7-Q45 HydrophobicContact CD1-CB 3.94Å; L7-Q45 HydrophobicContact CD1-CG 4.13Å; L7-Q45 HydrophobicContact CG-CB 4.37Å; K41-Q45 WeakPolarHBondContact O-CB 3.22Å; K41-Q45 PolarHBondContact O-N 3.37Å; L42-Q45 PolarHBondContact O-N 3.43Å; N43-Q45 PolarHBondContact O-N 3.21Å; Q45-I47 VanDerWaalsContact C-N 3.29Å; Q45-I47 PolarHBondContact O-N 2.75Å; Q45-L48 WeakPolarHBondContact O-CB 3.37Å; Q45-L48 PolarHBondContact O-N 3.45Å; Q45-L48 VanDerWaalsContact O-N 3.11Å; Q45-D49 PolarHBondContact NE2-OD1 3.27Å; Q45-D49 PolarHBondContact O-N 2.89Å; Q45-I58 HydrophobicContact CG-CD1 4.26Å; Q45-I58 HydrophobicContact CG-CG1 4.35Å
46A90.6Very high85.4Confident5 Ų535.1 Ų35.14%0.04121%0.208CC..Hα-helixtrans-59-39.3177.700000112.5L42 N43 D49 A50 I58 L116 T119L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 3.1Å; N43-A46 PolarHBondContact O-N 3.45Å; A46-D49 PolarHBondContact O-N 3.43Å; A46-A50 WeakPolarHBondContact O-CB 3.38Å; A46-A50 PolarHBondContact O-N 3.37Å; A46-A50 VanDerWaalsContact O-N 3.08Å; A46-I58 HydrophobicContact CB-CB 4.14Å; A46-I58 HydrophobicContact CB-CG1 4.15Å; A46-I58 HydrophobicContact CB-CG2 4.2Å; A46-L116 HydrophobicContact CB-CD1 3.89Å; A46-T119 HydrophobicContact CB-CG2 3.94Å
47I88.4Confident84.9Confident29 Ų2937.8 Ų37.815%0.14923%0.225CC..Hα-helixtrans-66.3-42176.2-61.1162.3000111.1N43 M44 Q45 T51 N115 V387N43-I47 VanDerWaalsContact O-CG1 3.31Å; N43-I47 WeakPolarHBondContact O-CG1 3.41Å; N43-I47 PolarHBondContact O-N 3Å; N43-I47 VanDerWaalsContact O-N 3.11Å; M44-I47 PolarHBondContact O-N 3.36Å; Q45-I47 VanDerWaalsContact C-N 3.29Å; Q45-I47 PolarHBondContact O-N 2.75Å; I47-T51 WeakPolarHBondContact O-CB 3.22Å; I47-T51 PolarHBondContact O-N 3.49Å; I47-T51 PolarHBondContact O-OG1 3.08Å; I47-N115 WeakPolarHBondContact CD1-ND2 3.46Å; I47-V387 HydrophobicContact CB-CB 4.22Å; I47-V387 HydrophobicContact CB-CG1 4.12Å; I47-V387 HydrophobicContact CD1-CB 4.34Å; I47-V387 HydrophobicContact CG2-CB 3.74Å; I47-V387 HydrophobicContact CG2-CG1 4.09Å
48L85.5Confident85Confident4 Ų437.4 Ų37.42%0.02122%0.224CC..Hα-helixtrans-62.3-45.9177-68.9177.4000111.2L4 L6 M44 Q45 A50 T51 I52 A386 V387L4-L48 WeakPolarHBondContact O-CD1 3.17Å; L6-L48 HydrophobicContact CD1-CD1 3.73Å; L6-L48 HydrophobicContact CG-CD1 4.25Å; M44-L48 WeakPolarHBondContact O-CG 3.2Å; M44-L48 PolarHBondContact O-N 2.98Å; Q45-L48 WeakPolarHBondContact O-CB 3.37Å; Q45-L48 PolarHBondContact O-N 3.45Å; Q45-L48 VanDerWaalsContact O-N 3.11Å; L48-A50 VanDerWaalsContact C-N 3.35Å; L48-A50 PolarHBondContact O-N 3.41Å; L48-T51 PolarHBondContact O-N 3.39Å; L48-T51 VanDerWaalsContact O-N 3.16Å; L48-I52 VanDerWaalsContact O-CG1 3.32Å; L48-I52 WeakPolarHBondContact O-CG1 3.46Å; L48-I52 PolarHBondContact O-N 3.48Å; L48-A386 HydrophobicContact CD2-CB 3.54Å; L48-V387 HydrophobicContact CD1-CG1 4.48Å; L48-V387 HydrophobicContact CD2-CG1 3.59Å; L48-V387 HydrophobicContact CG-CG1 3.67Å
49D85.3Confident85Confident15 Ų1537 Ų378%0.0822%0.22CC..Hα-helixtrans-59-47.8179.9-63.8-18.6000110.6Q45 A46 T51 I52 S53 Q54 E56 P57Q45-D49 PolarHBondContact NE2-OD1 3.27Å; Q45-D49 PolarHBondContact O-N 2.89Å; A46-D49 PolarHBondContact O-N 3.43Å; D49-T51 VanDerWaalsContact C-N 3.35Å; D49-T51 PolarHBondContact O-N 3.29Å; D49-I52 PolarHBondContact O-N 2.81Å; D49-S53 PolarHBondContact O-N 2.87Å; D49-Q54 PolarHBondContact O-N 2.96Å; D49-E56 HydrophobicContact CB-CG 4.29Å; D49-P57 WeakPolarHBondContact OD2-CD 3.39Å
50A84.6Confident84.9Confident38 Ų3842.9 Ų42.931%0.31425%0.248SC..Hα-helixtrans-61.6-40.417600000112.5A46 L48 S53 T119A46-A50 WeakPolarHBondContact O-CB 3.38Å; A46-A50 PolarHBondContact O-N 3.37Å; A46-A50 VanDerWaalsContact O-N 3.08Å; L48-A50 VanDerWaalsContact C-N 3.35Å; L48-A50 PolarHBondContact O-N 3.41Å; A50-S53 PolarHBondContact O-N 3.1Å; A50-T119 HydrophobicContact CB-CG2 4.34Å
51T80.6Confident85.1Confident87 Ų8743.8 Ų43.853%0.53425%0.253SS..Hα-helixtrans-68.3-37-178.4-590000112.5I47 L48 D49 S53I47-T51 WeakPolarHBondContact O-CB 3.22Å; I47-T51 PolarHBondContact O-N 3.49Å; I47-T51 PolarHBondContact O-OG1 3.08Å; L48-T51 PolarHBondContact O-N 3.39Å; L48-T51 VanDerWaalsContact O-N 3.16Å; D49-T51 VanDerWaalsContact C-N 3.35Å; D49-T51 PolarHBondContact O-N 3.29Å; T51-S53 VanDerWaalsContact C-N 3.31Å
52I78.8Confident85.4Confident88 Ų8841 Ų4145%0.45124%0.241SC..Hα-helixtrans-87.7-6.9-179.5-52.1168.9000110.7L48 D49 Q54L48-I52 VanDerWaalsContact O-CG1 3.32Å; L48-I52 WeakPolarHBondContact O-CG1 3.46Å; L48-I52 PolarHBondContact O-N 3.48Å; D49-I52 PolarHBondContact O-N 2.81Å; I52-Q54 HydrophobicContact CB-CG 4.05Å; I52-Q54 HydrophobicContact CG2-CG 3.64Å; I52-Q54 PolarHBondContact O-N 3.18Å
53S68.4Low85.5Confident105 Ų10543.5 Ų43.573%0.73426%0.256SS*.THydrogen-bonded Turntrans51.837.8-174.1-51.60000112D49 A50 T51D49-S53 PolarHBondContact O-N 2.87Å; A50-S53 PolarHBondContact O-N 3.1Å; T51-S53 VanDerWaalsContact C-N 3.31Å
54Q67.4Low85.7Confident127 Ų12748.3 Ų48.359%0.59329%0.285SS*.  trans-84.8176.1170.7-70.5-66.5-35.900109.3D49 I52 E56D49-Q54 PolarHBondContact O-N 2.96Å; I52-Q54 HydrophobicContact CB-CG 4.05Å; I52-Q54 HydrophobicContact CG2-CG 3.64Å; I52-Q54 PolarHBondContact O-N 3.18Å; Q54-E56 PolarHBondContact O-N 3.13Å
55G68.4Low86Confident57 Ų5750.8 Ų50.859%0.58830%0.297SS*.  trans-52.3139.3169.100000109.8P57G55-P57 WeakPolarHBondContact O-CD 3.38Å
56E75.9Confident86.4Confident46 Ų4652 Ų5222%0.21531%0.314CS..  trans-104.274.9-177.3-67.5157.9135.700109.5D49 Q54 I58 Q59 H123D49-E56 HydrophobicContact CB-CG 4.29Å; Q54-E56 PolarHBondContact O-N 3.13Å; E56-I58 PolarHBondContact O-N 3.42Å; E56-I58 VanDerWaalsContact O-N 3.14Å; E56-Q59 HydrophobicContact CB-CG 4.28Å; E56-Q59 WeakPolarHBondContact O-CG 3.4Å; E56-Q59 PolarHBondContact O-N 3.44Å; E56-Q59 PolarHBondContact OE2-NE2 2.89Å; E56-Q59 PolarHBondContact OE2-OE1 3.19Å; E56-H123 IonicContact OE1-CE1 3.68Å; E56-H123 IonicContact OE1-NE2 3.6Å; E56-H123 PolarHBondContact OE1-NE2 2.93Å; E56-H123 IonicContact OE2-CD2 2.98Å; E56-H123 IonicContact OE2-CE1 3.68Å; E56-H123 PolarHBondContact OE2-CE1 3.42Å; E56-H123 IonicContact OE2-ND1 2.68Å; E56-H123 IonicContact OE2-NE2 3.24Å; E56-H123 PolarHBondContact OE2-NE2 3.41Å
57P83.3Confident86.7Confident55 Ų5553.5 Ų53.536%0.35732%0.32SS..Hα-helixtrans-62.1-27-172.827.2-37.9000112.6D49 G55 Q59 E60 L61D49-P57 WeakPolarHBondContact OD2-CD 3.39Å; G55-P57 WeakPolarHBondContact O-CD 3.38Å; P57-Q59 PolarHBondContact O-N 2.98Å; P57-E60 PolarHBondContact O-N 3.22Å; P57-L61 WeakPolarHBondContact O-CB 3.41Å; P57-L61 WeakPolarHBondContact O-CG 3.31Å; P57-L61 PolarHBondContact O-N 3.2Å
58I92.5Very high87.1Confident2 Ų252.1 Ų52.11%0.0131%0.313CS..Hα-helixtrans-63-42.9-176.4-54.2-53.3000111.2A12 L42 Q45 A46 E56 L61 L62 L116A12-I58 HydrophobicContact CB-CD1 3.69Å; L42-I58 HydrophobicContact CD2-CD1 3.87Å; Q45-I58 HydrophobicContact CG-CD1 4.26Å; Q45-I58 HydrophobicContact CG-CG1 4.35Å; A46-I58 HydrophobicContact CB-CB 4.14Å; A46-I58 HydrophobicContact CB-CG1 4.15Å; A46-I58 HydrophobicContact CB-CG2 4.2Å; E56-I58 PolarHBondContact O-N 3.42Å; E56-I58 VanDerWaalsContact O-N 3.14Å; I58-L61 PolarHBondContact O-N 3.27Å; I58-L62 HydrophobicContact CG2-CD1 4.06Å; I58-L62 HydrophobicContact CG2-CG 4.4Å; I58-L62 WeakPolarHBondContact O-CB 3.35Å; I58-L62 VanDerWaalsContact O-CG 3.23Å; I58-L62 WeakPolarHBondContact O-CG 3.36Å; I58-L62 PolarHBondContact O-N 3.48Å; I58-L116 HydrophobicContact CG2-CD1 4.16Å
59Q92.9Very high87.7Confident23 Ų2353.3 Ų53.311%0.10732%0.32CS..Hα-helixtrans-67.1-41.7179.378.6-146.31600111.8E56 P57 L61 L62 V63 V120 H123 V126E56-Q59 HydrophobicContact CB-CG 4.28Å; E56-Q59 WeakPolarHBondContact O-CG 3.4Å; E56-Q59 PolarHBondContact O-N 3.44Å; E56-Q59 PolarHBondContact OE2-NE2 2.89Å; E56-Q59 PolarHBondContact OE2-OE1 3.19Å; P57-Q59 PolarHBondContact O-N 2.98Å; Q59-L61 VanDerWaalsContact C-N 3.33Å; Q59-L61 PolarHBondContact O-N 3.31Å; Q59-L62 PolarHBondContact O-N 3.22Å; Q59-V63 VanDerWaalsContact O-CG2 3.3Å; Q59-V63 WeakPolarHBondContact O-CG2 3.19Å; Q59-V63 PolarHBondContact O-N 3.47Å; Q59-V120 HydrophobicContact CB-CB 4.21Å; Q59-V120 HydrophobicContact CB-CG1 4.22Å; Q59-H123 PolarHBondContact NE2-CD2 2.93Å; Q59-H123 PolarHBondContact NE2-CE1 2.92Å; Q59-H123 VanDerWaalsContact NE2-CE1 3.34Å; Q59-H123 PolarHBondContact NE2-ND1 3.3Å; Q59-H123 PolarHBondContact NE2-NE2 2.83Å; Q59-H123 PolarHBondContact OE1-CD2 3.07Å; Q59-H123 PolarHBondContact OE1-NE2 2.99Å; Q59-V126 HydrophobicContact CB-CG2 3.82Å
60E92.9Very high88.3Confident127 Ų12753.9 Ų53.959%0.59332%0.324SS*.Hα-helixtrans-63.1-42.2178.5-66.6-175.7177.800110.7P57 V63 T64P57-E60 PolarHBondContact O-N 3.22Å; E60-V63 PolarHBondContact O-N 3.18Å; E60-T64 WeakPolarHBondContact O-CB 3.49Å; E60-T64 PolarHBondContact O-N 2.83Å; E60-T64 PolarHBondContact O-OG1 3.44Å
61L95.7Very high89Confident30 Ų3052.2 Ų52.216%0.15731%0.31CS..Hα-helixtrans-65.4-42.8176.6-71.8171.7000111.9A12 E13 V16 P57 I58 Q59 V63 T64 H65A12-L61 HydrophobicContact CB-CD1 3.82Å; E13-L61 HydrophobicContact CB-CD1 4.39Å; E13-L61 HydrophobicContact CB-CD2 3.94Å; E13-L61 HydrophobicContact CG-CD2 3.87Å; V16-L61 HydrophobicContact CB-CB 4.31Å; V16-L61 HydrophobicContact CG1-CB 4.15Å; V16-L61 HydrophobicContact CG2-CB 4.06Å; P57-L61 WeakPolarHBondContact O-CB 3.41Å; P57-L61 WeakPolarHBondContact O-CG 3.31Å; P57-L61 PolarHBondContact O-N 3.2Å; I58-L61 PolarHBondContact O-N 3.27Å; Q59-L61 VanDerWaalsContact C-N 3.33Å; Q59-L61 PolarHBondContact O-N 3.31Å; L61-V63 VanDerWaalsContact C-N 3.35Å; L61-T64 PolarHBondContact O-N 2.87Å; L61-H65 WeakPolarHBondContact O-CB 3.2Å; L61-H65 PolarHBondContact O-CD2 2.99Å; L61-H65 VanDerWaalsContact O-CD2 3.29Å; L61-H65 PolarHBondContact O-N 3.34Å
62L97Very high89.8Confident0 Ų048.1 Ų48.10%029%0.285CS..Hα-helixtrans-62-43.1177.8-74.6171000111.5V16 L19 I58 Q59 G66 K67 V68 L71 V120V16-L62 HydrophobicContact CG1-CD2 4.07Å; V16-L62 HydrophobicContact CG2-CD2 4.3Å; L19-L62 HydrophobicContact CD1-CD2 4Å; I58-L62 HydrophobicContact CG2-CD1 4.06Å; I58-L62 HydrophobicContact CG2-CG 4.4Å; I58-L62 WeakPolarHBondContact O-CB 3.35Å; I58-L62 VanDerWaalsContact O-CG 3.23Å; I58-L62 WeakPolarHBondContact O-CG 3.36Å; I58-L62 PolarHBondContact O-N 3.48Å; Q59-L62 PolarHBondContact O-N 3.22Å; L62-G66 PolarHBondContact O-N 3.13Å; L62-G66 VanDerWaalsContact O-N 3.14Å; L62-K67 HydrophobicContact CD2-CB 3.76Å; L62-K67 PolarHBondContact O-N 3.18Å; L62-V68 HydrophobicContact CB-CG2 4.24Å; L62-L71 HydrophobicContact CD1-CD1 4.16Å; L62-L71 HydrophobicContact CD2-CD1 3.84Å; L62-V120 HydrophobicContact CD1-CB 4.48Å; L62-V120 HydrophobicContact CD1-CG1 4.05Å; L62-V120 HydrophobicContact CD1-CG2 4.11Å
63V96.4Very high90.7Very high51 Ų5146.2 Ų46.231%0.30927%0.274SS..Hα-helixtrans-66.6-51.5175.6173.20000110.3Q59 E60 L61 H65 G66 V126Q59-V63 VanDerWaalsContact O-CG2 3.3Å; Q59-V63 WeakPolarHBondContact O-CG2 3.19Å; Q59-V63 PolarHBondContact O-N 3.47Å; E60-V63 PolarHBondContact O-N 3.18Å; L61-V63 VanDerWaalsContact C-N 3.35Å; V63-H65 PolarHBondContact O-N 2.93Å; V63-G66 PolarHBondContact O-N 3.24Å; V63-V126 HydrophobicContact CG2-CG2 3.99Å
64T95.9Very high92.1Very high105 Ų10541.4 Ų41.464%0.64424%0.24SC*.Hα-helixtrans-58.3-36.1-177.2-62.80000112.6E60 L61E60-T64 WeakPolarHBondContact O-CB 3.49Å; E60-T64 PolarHBondContact O-N 2.83Å; E60-T64 PolarHBondContact O-OG1 3.44Å; L61-T64 PolarHBondContact O-N 2.87Å
65H96.8Very high93.6Very high57 Ų5735.4 Ų35.426%0.26421%0.212SC..THydrogen-bonded Turntrans-98.76.6-179.8-64.8-53.7000114.3E13 V16 R17 L61 V63 K67E13-H65 IonicContact OE1-NE2 3.81Å; V16-H65 HydrophobicContact CG1-CB 4.17Å; R17-H65 WeakPolarHBondContact CG-NE2 3.27Å; L61-H65 WeakPolarHBondContact O-CB 3.2Å; L61-H65 PolarHBondContact O-CD2 2.99Å; L61-H65 VanDerWaalsContact O-CD2 3.29Å; L61-H65 PolarHBondContact O-N 3.34Å; V63-H65 PolarHBondContact O-N 2.93Å; H65-K67 VanDerWaalsContact C-N 3.34Å; H65-K67 HydrophobicContact CB-CG 3.95Å; H65-K67 PolarHBondContact O-N 3.06Å
66G96.5Very high95Very high42 Ų4232.7 Ų32.743%0.43318%0.184SC..THydrogen-bonded Turntrans59.840.6176.400000113.4L62 V63L62-G66 PolarHBondContact O-N 3.13Å; L62-G66 VanDerWaalsContact O-N 3.14Å; V63-G66 PolarHBondContact O-N 3.24Å
67K97.6Very high96.1Very high36 Ų3630.5 Ų30.516%0.15717%0.174CC..  trans-96.3-10.5-173-64.4-57.9-171.5171.10114.6V16 R17 L19 L62 H65 T70 L71V16-K67 HydrophobicContact CG1-CB 4.36Å; V16-K67 HydrophobicContact CG1-CG 3.85Å; V16-K67 VanDerWaalsContact O-CE 3.22Å; V16-K67 WeakPolarHBondContact O-CE 3.18Å; V16-K67 WeakPolarHBondContact O-CG 3.42Å; R17-K67 WeakPolarHBondContact O-CE 3.49Å; R17-K67 PolarHBondContact O-NZ 3.05Å; L19-K67 HydrophobicContact CB-CD 4.17Å; L19-K67 HydrophobicContact CD1-CB 4.27Å; L19-K67 PolarHBondContact O-NZ 3.39Å; L62-K67 HydrophobicContact CD2-CB 3.76Å; L62-K67 PolarHBondContact O-N 3.18Å; H65-K67 VanDerWaalsContact C-N 3.34Å; H65-K67 HydrophobicContact CB-CG 3.95Å; H65-K67 PolarHBondContact O-N 3.06Å; K67-T70 WeakPolarHBondContact O-CB 3.34Å; K67-T70 PolarHBondContact O-N 3.07Å; K67-T70 VanDerWaalsContact O-N 3.13Å; K67-L71 WeakPolarHBondContact O-CG 3.5Å; K67-L71 PolarHBondContact O-N 3.22Å
68V97.8Very high96.7Very high0 Ų027.9 Ų27.90%016%0.157CC..Hα-helixtrans-58.3-46.9176.3-179.50000111.8L62 T70 L71 V72 F121 V126 S129 A130L62-V68 HydrophobicContact CB-CG2 4.24Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.23Å; V68-L71 WeakPolarHBondContact O-CB 3.35Å; V68-L71 PolarHBondContact O-N 3.34Å; V68-L71 VanDerWaalsContact O-N 3.12Å; V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 3.43Å; V68-F121 HydrophobicContact CG1-CE2 3.84Å; V68-F121 HydrophobicContact CG1-CZ 3.88Å; V68-V126 HydrophobicContact CG1-CG1 4.44Å; V68-V126 HydrophobicContact CG2-CG1 3.84Å; V68-S129 VanDerWaalsContact CG2-OG 3.3Å; V68-S129 WeakPolarHBondContact CG2-OG 3.18Å; V68-A130 HydrophobicContact CG1-CB 3.74Å
69P97.7Very high97Very high29 Ų2927.9 Ų27.919%0.18816%0.157CC..Hα-helixtrans-57.6-37.7173.6-29.238.4000114.1V72 E73 T133P69-V72 PolarHBondContact O-N 3.4Å; P69-E73 PolarHBondContact O-N 3.46Å; P69-T133 HydrophobicContact CB-CG2 3.74Å; P69-T133 HydrophobicContact CG-CG2 4.46Å
70T97.6Very high97.2Very high26 Ų2626.8 Ų26.816%0.1615%0.152CC..Hα-helixtrans-64.8-40.3177-54.70000111.6K67 V68 E73 E74K67-T70 WeakPolarHBondContact O-CB 3.34Å; K67-T70 PolarHBondContact O-N 3.07Å; K67-T70 VanDerWaalsContact O-N 3.13Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.23Å; T70-E73 PolarHBondContact O-N 3.3Å; T70-E74 PolarHBondContact O-N 2.69Å
71L98.3Very high97.4Very high4 Ų420.8 Ų20.82%0.02112%0.124CC..Hα-helixtrans-64.9-41.9176-66.9179.1000111.7L19 L39 L62 K67 V68 E73 E74 L75 I113 L116 L117L19-L71 HydrophobicContact CD1-CD2 4.07Å; L39-L71 HydrophobicContact CD1-CD2 3.49Å; L39-L71 VanDerWaalsContact CD1-CD2 3.49Å; L62-L71 HydrophobicContact CD1-CD1 4.16Å; L62-L71 HydrophobicContact CD2-CD1 3.84Å; K67-L71 WeakPolarHBondContact O-CG 3.5Å; K67-L71 PolarHBondContact O-N 3.22Å; V68-L71 WeakPolarHBondContact O-CB 3.35Å; V68-L71 PolarHBondContact O-N 3.34Å; V68-L71 VanDerWaalsContact O-N 3.12Å; L71-E73 VanDerWaalsContact C-N 3.33Å; L71-E74 PolarHBondContact O-N 2.98Å; L71-L75 VanDerWaalsContact O-CB 3.32Å; L71-L75 WeakPolarHBondContact O-CB 3.47Å; L71-L75 PolarHBondContact O-N 2.82Å; L71-I113 HydrophobicContact CB-CG2 4.3Å; L71-L116 HydrophobicContact CD1-CD2 3.93Å; L71-L116 HydrophobicContact CD2-CD2 4.48Å; L71-L117 HydrophobicContact CB-CD2 4.12Å; L71-L117 HydrophobicContact CD1-CD2 4.14Å
72V98.5Very high97.4Very high0 Ų020.3 Ų20.30%012%0.121CC..Hα-helixtrans-62.8-41.4175.5178.10000111V68 P69 L75 I76 D136 L137 I337V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 3.43Å; P69-V72 PolarHBondContact O-N 3.4Å; V72-L75 WeakPolarHBondContact O-CB 3.4Å; V72-L75 PolarHBondContact O-N 3.4Å; V72-I76 HydrophobicContact CG1-CD1 3.85Å; V72-I76 WeakPolarHBondContact O-CG1 3.45Å; V72-I76 PolarHBondContact O-N 2.92Å; V72-I76 VanDerWaalsContact O-N 3.09Å; V72-D136 HydrophobicContact CG1-CB 4.23Å; V72-L137 HydrophobicContact CG1-CB 4.12Å; V72-L137 HydrophobicContact CG2-CB 4.34Å; V72-L137 HydrophobicContact CG2-CD2 4.22Å; V72-I337 HydrophobicContact CG1-CD1 4Å
73E97.9Very high97.3Very high49 Ų4924.7 Ų24.723%0.22914%0.141CC..Hα-helixtrans-63.1-46.7176.4179.8157.2-165.700112.7P69 T70 L71 L75 I76 A77 I337 R340P69-E73 PolarHBondContact O-N 3.46Å; T70-E73 PolarHBondContact O-N 3.3Å; L71-E73 VanDerWaalsContact C-N 3.33Å; E73-L75 VanDerWaalsContact C-N 3.35Å; E73-L75 PolarHBondContact O-N 3.4Å; E73-I76 PolarHBondContact O-N 3.39Å; E73-A77 VanDerWaalsContact O-CB 3.31Å; E73-A77 WeakPolarHBondContact O-CB 3.46Å; E73-A77 PolarHBondContact O-N 3.21Å; E73-I337 HydrophobicContact CB-CD1 4.18Å; E73-I337 HydrophobicContact CB-CG2 4.36Å; E73-I337 HydrophobicContact CG-CG2 4.1Å; E73-R340 IonicContact OE1-CZ 3.78Å; E73-R340 IonicContact OE1-NE 3.95Å; E73-R340 IonicContact OE1-NH2 2.77Å; E73-R340 PolarHBondContact OE1-NH2 2.91Å; E73-R340 IonicContact OE2-NH2 3.22Å; E73-R340 PolarHBondContact OE2-NH2 3.03Å
74E97.4Very high97.3Very high4 Ų425.6 Ų25.62%0.01914%0.141CC..Hα-helixtrans-63.6-39.8176-74.3-69.396.200111.9S21 F22 Q35 T70 L71 I76 A77 V78 H109 I113S21-E74 WeakPolarHBondContact CA-OE1 3.32Å; F22-E74 PolarHBondContact N-OE1 2.97Å; Q35-E74 PolarHBondContact NE2-OE2 2.95Å; T70-E74 PolarHBondContact O-N 2.69Å; L71-E74 PolarHBondContact O-N 2.98Å; E74-I76 VanDerWaalsContact C-N 3.34Å; E74-I76 PolarHBondContact O-N 3.45Å; E74-A77 PolarHBondContact O-N 2.89Å; E74-V78 WeakPolarHBondContact O-CG2 3.44Å; E74-V78 PolarHBondContact O-N 3.28Å; E74-H109 IonicContact OE2-NE2 3.9Å; E74-I113 HydrophobicContact CB-CD1 3.78Å
75L98.4Very high97.3Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-57.2-48.6177.2-177.172000111.1L71 V72 E73 V78 E79 E110 I113 I114 L117 L137 Y140L71-L75 VanDerWaalsContact O-CB 3.32Å; L71-L75 WeakPolarHBondContact O-CB 3.47Å; L71-L75 PolarHBondContact O-N 2.82Å; V72-L75 WeakPolarHBondContact O-CB 3.4Å; V72-L75 PolarHBondContact O-N 3.4Å; E73-L75 VanDerWaalsContact C-N 3.35Å; E73-L75 PolarHBondContact O-N 3.4Å; L75-V78 PolarHBondContact O-N 3.42Å; L75-E79 PolarHBondContact O-N 3.46Å; L75-E110 HydrophobicContact CD1-CG 3.73Å; L75-I113 HydrophobicContact CB-CD1 4.48Å; L75-I113 HydrophobicContact CB-CG2 3.85Å; L75-I113 HydrophobicContact CD1-CB 3.92Å; L75-I113 HydrophobicContact CD1-CG2 3.89Å; L75-I113 HydrophobicContact CG-CG2 4.39Å; L75-I114 HydrophobicContact CD1-CB 4.06Å; L75-I114 HydrophobicContact CD2-CD1 4.15Å; L75-L117 HydrophobicContact CD2-CD1 3.85Å; L75-L137 HydrophobicContact CD2-CD1 3.83Å; L75-Y140 HydrophobicContact CD1-CE1 4.38Å; L75-Y140 HydrophobicContact CD1-CE2 4.12Å; L75-Y140 HydrophobicContact CD2-CD1 3.73Å; L75-Y140 HydrophobicContact CD2-CD2 4.04Å; L75-Y140 HydrophobicContact CD2-CE1 3.67Å; L75-Y140 HydrophobicContact CD2-CE2 3.97Å; L75-Y140 HydrophobicContact CD2-CG 3.93Å; L75-Y140 HydrophobicContact CG-CD2 4.08Å; L75-Y140 HydrophobicContact CG-CE1 4.21Å; L75-Y140 HydrophobicContact CG-CE2 3.71Å; L75-Y140 HydrophobicContact CG-CG 4.47Å
76I98.4Very high97.2Very high0 Ų018.7 Ų18.70%010%0.101CC..Hα-helixtrans-71.3-36.7-178.9-69.1170.8000111.3V72 E73 E74 E79 M80 D136 Y140 I337 W338 L341V72-I76 HydrophobicContact CG1-CD1 3.85Å; V72-I76 WeakPolarHBondContact O-CG1 3.45Å; V72-I76 PolarHBondContact O-N 2.92Å; V72-I76 VanDerWaalsContact O-N 3.09Å; E73-I76 PolarHBondContact O-N 3.39Å; E74-I76 VanDerWaalsContact C-N 3.34Å; E74-I76 PolarHBondContact O-N 3.45Å; I76-E79 PolarHBondContact O-N 3.48Å; I76-M80 WeakPolarHBondContact O-CB 3.43Å; I76-M80 PolarHBondContact O-N 2.98Å; I76-D136 HydrophobicContact CD1-CB 3.54Å; I76-Y140 HydrophobicContact CG1-CD2 4.49Å; I76-I337 HydrophobicContact CB-CG2 3.92Å; I76-I337 HydrophobicContact CD1-CB 4.12Å; I76-I337 HydrophobicContact CD1-CD1 4.19Å; I76-I337 HydrophobicContact CD1-CG2 4.08Å; I76-I337 HydrophobicContact CG2-CB 4.47Å; I76-I337 HydrophobicContact CG2-CG2 3.74Å; I76-W338 HydrophobicContact CG2-CB 4.21Å; I76-W338 HydrophobicContact CG2-CE3 3.86Å; I76-L341 HydrophobicContact CG2-CD1 4.27Å
77A98Very high97Very high1 Ų118.6 Ų18.61%0.0089%0.093CC..Hα-helixtrans-60.8-46.1174.900000110.8L24 M27 E73 E74 M80 W81 L341L24-A77 HydrophobicContact CD2-CB 4.06Å; L24-A77 VanDerWaalsContact CD2-O 3.27Å; L24-A77 WeakPolarHBondContact CD2-O 3.42Å; M27-A77 VanDerWaalsContact CE-C 3.45Å; M27-A77 HydrophobicContact CE-CB 3.49Å; M27-A77 VanDerWaalsContact CE-CB 3.49Å; E73-A77 VanDerWaalsContact O-CB 3.31Å; E73-A77 WeakPolarHBondContact O-CB 3.46Å; E73-A77 PolarHBondContact O-N 3.21Å; E74-A77 PolarHBondContact O-N 2.89Å; A77-M80 PolarHBondContact O-N 3.29Å; A77-W81 WeakPolarHBondContact O-CB 3.41Å; A77-W81 PolarHBondContact O-N 2.96Å; A77-L341 HydrophobicContact CB-CD1 3.94Å
78V97.4Very high96.8Very high0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-65.5-42177.5-179.70000110.7M27 E74 L75 M80 W81 K82 V106 H109 E110M27-V78 HydrophobicContact CE-CG2 3.99Å; E74-V78 WeakPolarHBondContact O-CG2 3.44Å; E74-V78 PolarHBondContact O-N 3.28Å; L75-V78 PolarHBondContact O-N 3.42Å; V78-M80 VanDerWaalsContact C-N 3.31Å; V78-M80 PolarHBondContact O-N 3.36Å; V78-W81 PolarHBondContact O-N 3.39Å; V78-K82 HydrophobicContact CG1-CG 4.36Å; V78-K82 WeakPolarHBondContact O-CG 3.16Å; V78-K82 PolarHBondContact O-N 3.19Å; V78-V106 VanDerWaalsContact CG1-O 3.26Å; V78-V106 WeakPolarHBondContact CG1-O 3.27Å; V78-H109 HydrophobicContact CG2-CB 4.32Å; V78-E110 HydrophobicContact CB-CB 4.3Å; V78-E110 HydrophobicContact CG1-CB 3.74Å
79E97.4Very high96.4Very high2 Ų218.6 Ų18.61%0.00910%0.096CC..Hα-helixtrans-54.2-48.7173.7-173.4-167.9-169.200110.9L75 I76 K82 Q83 Y140 R143 W338L75-E79 PolarHBondContact O-N 3.46Å; I76-E79 PolarHBondContact O-N 3.48Å; E79-K82 PolarHBondContact O-N 3.25Å; E79-Q83 WeakPolarHBondContact O-CG 3.46Å; E79-Q83 PolarHBondContact O-N 3.27Å; E79-Q83 PolarHBondContact OE1-NE2 2.91Å; E79-Y140 HydrophobicContact CB-CD2 4.37Å; E79-Y140 HydrophobicContact CB-CE2 4.1Å; E79-Y140 HydrophobicContact CG-CD2 4.42Å; E79-Y140 HydrophobicContact CG-CE2 4.24Å; E79-Y140 VanDerWaalsContact OE2-CD2 3.28Å; E79-Y140 WeakPolarHBondContact OE2-CD2 3.35Å; E79-R143 IonicContact OE1-CZ 2.67Å; E79-R143 IonicContact OE1-NE 3.49Å; E79-R143 PolarHBondContact OE1-NE 3.33Å; E79-R143 IonicContact OE1-NH2 3.46Å; E79-R143 IonicContact OE2-CZ 3.74Å; E79-R143 IonicContact OE2-NE 3.95Å; E79-R143 PolarHBondContact OE2-NE 3.42Å; E79-R143 IonicContact OE2-NH2 2.67Å; E79-R143 PolarHBondContact OE2-NH2 2.96Å; E79-W338 HydrophobicContact CB-CZ3 4.35Å; E79-W338 HydrophobicContact CG-CZ3 4.02Å; E79-W338 WeakPolarHBondContact OE2-CZ3 3.41Å
80M97.5Very high95.9Very high0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-62.9-43.5178.5-178.3174.5-64.100111.8L24 I76 A77 V78 K82 Q83 K84 W338 L341 E342 W349L24-M80 HydrophobicContact CD1-CG 4.23Å; L24-M80 HydrophobicContact CD1-SD 3.82Å; I76-M80 WeakPolarHBondContact O-CB 3.43Å; I76-M80 PolarHBondContact O-N 2.98Å; A77-M80 PolarHBondContact O-N 3.29Å; V78-M80 VanDerWaalsContact C-N 3.31Å; V78-M80 PolarHBondContact O-N 3.36Å; M80-K82 PolarHBondContact O-N 3.5Å; M80-Q83 PolarHBondContact O-N 2.97Å; M80-K84 HydrophobicContact CG-CG 3.96Å; M80-K84 WeakPolarHBondContact O-CB 3.3Å; M80-K84 WeakPolarHBondContact O-CG 3.43Å; M80-K84 PolarHBondContact O-N 3.09Å; M80-W338 HydrophobicContact CB-CH2 4.17Å; M80-W338 HydrophobicContact CB-CZ3 4.04Å; M80-W338 HydrophobicContact CE-CD2 3.71Å; M80-W338 HydrophobicContact CE-CE3 4.09Å; M80-W338 HydrophobicContact CE-CG 4.02Å; M80-W338 HydrophobicContact CE-CH2 4.45Å; M80-W338 HydrophobicContact CE-CZ2 4.15Å; M80-W338 HydrophobicContact CE-CZ3 4.43Å; M80-W338 WeakPolarHBondContact CE-O 3.39Å; M80-W338 HydrophobicContact CG-CH2 4.49Å; M80-L341 HydrophobicContact CE-CB 3.57Å; M80-L341 HydrophobicContact SD-CB 3.62Å; M80-E342 HydrophobicContact CE-CB 4.03Å; M80-W349 HydrophobicContact CG-CH2 4.38Å; M80-W349 HydrophobicContact SD-CH2 3.8Å; M80-W349 HydrophobicContact SD-CZ3 4.27Å
81W97.5Very high95.4Very high0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-60.1-45.4177-17694.2000111.4L24 M27 A77 V78 Q83 K84 V85 F86 L89 I103 V106 V107 F361L24-W81 HydrophobicContact CD2-CB 4.18Å; M27-W81 HydrophobicContact CE-CB 4.43Å; M27-W81 HydrophobicContact SD-CB 3.42Å; M27-W81 WeakPolarHBondContact SD-CB 3.31Å; M27-W81 HydrophobicContact SD-CD2 4.41Å; M27-W81 HydrophobicContact SD-CG 3.53Å; M27-W81 VanDerWaalsContact SD-CG 3.53Å; A77-W81 WeakPolarHBondContact O-CB 3.41Å; A77-W81 PolarHBondContact O-N 2.96Å; V78-W81 PolarHBondContact O-N 3.39Å; W81-Q83 VanDerWaalsContact C-N 3.28Å; W81-Q83 PolarHBondContact O-N 3.31Å; W81-K84 PolarHBondContact O-N 2.75Å; W81-V85 HydrophobicContact CD2-CB 4.33Å; W81-V85 HydrophobicContact CG-CB 4.03Å; W81-V85 HydrophobicContact CG-CG2 4.37Å; W81-V85 WeakPolarHBondContact O-CA 3.37Å; W81-V85 WeakPolarHBondContact O-CB 3.3Å; W81-V85 PolarHBondContact O-N 3.46Å; W81-F86 HydrophobicContact CE3-CB 4.05Å; W81-F86 HydrophobicContact CH2-CB 3.99Å; W81-F86 AromaticContact CH2-CD2 3.85Å; W81-F86 HydrophobicContact CH2-CD2 3.85Å; W81-F86 HydrophobicContact CH2-CG 4.28Å; W81-F86 HydrophobicContact CZ3-CB 3.67Å; W81-F86 HydrophobicContact CZ3-CD2 4.01Å; W81-F86 HydrophobicContact CZ3-CG 4.04Å; W81-F86 PolarHBondContact O-N 3.41Å; W81-L89 HydrophobicContact CH2-CD1 4.09Å; W81-L89 HydrophobicContact CZ2-CD1 3.54Å; W81-I103 HydrophobicContact CH2-CG2 3.84Å; W81-V106 HydrophobicContact CD2-CG1 3.73Å; W81-V106 HydrophobicContact CE3-CB 4.41Å; W81-V106 HydrophobicContact CE3-CG1 3.49Å; W81-V106 VanDerWaalsContact CE3-CG1 3.49Å; W81-V106 HydrophobicContact CG-CG1 4.45Å; W81-V106 HydrophobicContact CH2-CB 4.09Å; W81-V106 HydrophobicContact CH2-CG1 3.93Å; W81-V106 HydrophobicContact CZ2-CG1 4.15Å; W81-V106 HydrophobicContact CZ3-CB 4.02Å; W81-V106 HydrophobicContact CZ3-CG1 3.6Å; W81-V107 HydrophobicContact CZ3-CG2 4.13Å; W81-F361 HydrophobicContact CH2-CZ 4.43Å; W81-F361 AromaticContact CZ2-CE2 3.88Å; W81-F361 HydrophobicContact CZ2-CE2 3.88Å; W81-F361 AromaticContact CZ2-CZ 3.82Å; W81-F361 HydrophobicContact CZ2-CZ 3.82Å
82K95.8Very high94.8Very high21 Ų2129.4 Ų29.49%0.09114%0.14CC..Hα-helixtrans-61.7-34175.7-68.4-165.5-30-166.20112.6V78 E79 M80 P87 V107 E110 E180V78-K82 HydrophobicContact CG1-CG 4.36Å; V78-K82 WeakPolarHBondContact O-CG 3.16Å; V78-K82 PolarHBondContact O-N 3.19Å; E79-K82 PolarHBondContact O-N 3.25Å; M80-K82 PolarHBondContact O-N 3.5Å; K82-P87 VanDerWaalsContact O-CD 3.3Å; K82-P87 WeakPolarHBondContact O-CD 3.34Å; K82-V107 HydrophobicContact CD-CB 4.49Å; K82-V107 HydrophobicContact CD-CG1 4.09Å; K82-V107 HydrophobicContact CD-CG2 4.47Å; K82-E110 WeakPolarHBondContact CD-OE2 3.22Å; K82-E110 WeakPolarHBondContact CE-OE2 3.47Å; K82-E110 VanDerWaalsContact NZ-CD 3.33Å; K82-E110 IonicContact NZ-OE1 2.77Å; K82-E110 IonicContact NZ-OE2 2.87Å; K82-E110 PolarHBondContact NZ-OE2 3.45Å; K82-E180 IonicContact NZ-OE1 3.57Å; K82-E180 PolarHBondContact NZ-OE1 3.08Å
83Q94.9Very high93.5Very high91 Ų9137.6 Ų37.643%0.42518%0.178SC..Hα-helixtrans-84-32.3-179.4-70.8-174.823.800113.9E79 M80 W81E79-Q83 WeakPolarHBondContact O-CG 3.46Å; E79-Q83 PolarHBondContact O-N 3.27Å; E79-Q83 PolarHBondContact OE1-NE2 2.91Å; M80-Q83 PolarHBondContact O-N 2.97Å; W81-Q83 VanDerWaalsContact C-N 3.28Å; W81-Q83 PolarHBondContact O-N 3.31Å
84K96.2Very high92.4Very high71 Ų7142.9 Ų42.931%0.30921%0.208SC..Hα-helixtrans-111.1-34.9-169.1-57.4-61.8-173.3-178.80114M80 W81 V88 W349M80-K84 HydrophobicContact CG-CG 3.96Å; M80-K84 WeakPolarHBondContact O-CB 3.3Å; M80-K84 WeakPolarHBondContact O-CG 3.43Å; M80-K84 PolarHBondContact O-N 3.09Å; W81-K84 PolarHBondContact O-N 2.75Å; K84-V88 WeakPolarHBondContact O-CG2 3.26Å; K84-W349 HydrophobicContact CB-CD2 3.8Å; K84-W349 HydrophobicContact CB-CE3 3.83Å; K84-W349 HydrophobicContact CB-CG 4.23Å; K84-W349 HydrophobicContact CB-CH2 4.43Å; K84-W349 HydrophobicContact CB-CZ2 4.42Å; K84-W349 HydrophobicContact CB-CZ3 4.15Å; K84-W349 HydrophobicContact CG-CD2 4.43Å; K84-W349 HydrophobicContact CG-CH2 4.32Å; K84-W349 HydrophobicContact CG-CZ2 4.19Å; K84-W349 HydrophobicContact CG-CZ3 4.49Å
85V95.9Very high91.4Very high0 Ų043.7 Ų43.70%021%0.211CC..THydrogen-bonded Turntrans-103.6-47.3-173.2-175.90000111.2W81 V88 L89 W349 I352 A353W81-V85 HydrophobicContact CD2-CB 4.33Å; W81-V85 HydrophobicContact CG-CB 4.03Å; W81-V85 HydrophobicContact CG-CG2 4.37Å; W81-V85 WeakPolarHBondContact O-CA 3.37Å; W81-V85 WeakPolarHBondContact O-CB 3.3Å; W81-V85 PolarHBondContact O-N 3.46Å; V85-V88 WeakPolarHBondContact O-CA 3.48Å; V85-V88 WeakPolarHBondContact O-CB 3.5Å; V85-V88 PolarHBondContact O-N 3.26Å; V85-L89 HydrophobicContact CG1-CD1 4.34Å; V85-L89 HydrophobicContact CG1-CG 4.49Å; V85-L89 PolarHBondContact O-N 3.24Å; V85-W349 HydrophobicContact CG2-CE3 4.11Å; V85-I352 HydrophobicContact CG1-CG2 4Å; V85-I352 HydrophobicContact CG2-CG2 4.04Å; V85-A353 HydrophobicContact CG1-CB 4Å
86F94.1Very high90.2Very high16 Ų1652.1 Ų52.17%0.0725%0.248CC..Hα-helixtrans-54.7-44-180-178.1-123.1000113.7W81 V88 L89 C90 I103 M169 L172 Q173 A176W81-F86 HydrophobicContact CE3-CB 4.05Å; W81-F86 HydrophobicContact CH2-CB 3.99Å; W81-F86 AromaticContact CH2-CD2 3.85Å; W81-F86 HydrophobicContact CH2-CD2 3.85Å; W81-F86 HydrophobicContact CH2-CG 4.28Å; W81-F86 HydrophobicContact CZ3-CB 3.67Å; W81-F86 HydrophobicContact CZ3-CD2 4.01Å; W81-F86 HydrophobicContact CZ3-CG 4.04Å; W81-F86 PolarHBondContact O-N 3.41Å; F86-V88 PolarHBondContact O-N 2.91Å; F86-L89 WeakPolarHBondContact O-CB 3.49Å; F86-L89 PolarHBondContact O-N 3.38Å; F86-L89 VanDerWaalsContact O-N 3.13Å; F86-C90 VanDerWaalsContact CE2-SG 3.6Å; F86-C90 PolarHBondContact O-N 3.39Å; F86-C90 PolarHBondContact O-SG 3.32Å; F86-I103 HydrophobicContact CD2-CG2 3.9Å; F86-I103 HydrophobicContact CE2-CG2 3.7Å; F86-M169 HydrophobicContact CE2-CE 4.33Å; F86-L172 HydrophobicContact CE2-CD2 3.68Å; F86-L172 HydrophobicContact CE2-CG 4.26Å; F86-L172 HydrophobicContact CZ-CD2 3.95Å; F86-L172 HydrophobicContact CZ-CG 4.02Å; F86-Q173 HydrophobicContact CE1-CG 4.21Å; F86-Q173 HydrophobicContact CZ-CG 4.12Å; F86-A176 HydrophobicContact CE1-CB 4.17Å
87P93.1Very high89Confident40 Ų4053 Ų5326%0.2625%0.253SS..Hα-helixtrans-66.9-25.1178.2-20.835.6000113K82 R91K82-P87 VanDerWaalsContact O-CD 3.3Å; K82-P87 WeakPolarHBondContact O-CD 3.34Å; P87-R91 VanDerWaalsContact O-CG 3.27Å; P87-R91 WeakPolarHBondContact O-CG 3.49Å
88V93.1Very high87.6Confident36 Ų3661.9 Ų61.922%0.21830%0.295CS..Hα-helixtrans-70.9-47.2173.3-179.90000109.4K84 V85 F86 C90 R91 V92 Q350 A353K84-V88 WeakPolarHBondContact O-CG2 3.26Å; V85-V88 WeakPolarHBondContact O-CA 3.48Å; V85-V88 WeakPolarHBondContact O-CB 3.5Å; V85-V88 PolarHBondContact O-N 3.26Å; F86-V88 PolarHBondContact O-N 2.91Å; V88-C90 VanDerWaalsContact C-N 3.28Å; V88-C90 PolarHBondContact O-N 3.11Å; V88-R91 PolarHBondContact O-N 2.62Å; V88-V92 WeakPolarHBondContact O-CG2 3.35Å; V88-V92 PolarHBondContact O-N 3.41Å; V88-Q350 HydrophobicContact CG1-CG 4.15Å; V88-A353 HydrophobicContact CB-CB 4.09Å; V88-A353 HydrophobicContact CG1-CB 3.75Å
89L89.8Confident86.6Confident0 Ų065.3 Ų65.30%031%0.313CS..Hα-helixtrans-55.3-43.8176.2-68.9170.5000111.6W81 V85 F86 R91 V92 A353 L357 F361W81-L89 HydrophobicContact CH2-CD1 4.09Å; W81-L89 HydrophobicContact CZ2-CD1 3.54Å; V85-L89 HydrophobicContact CG1-CD1 4.34Å; V85-L89 HydrophobicContact CG1-CG 4.49Å; V85-L89 PolarHBondContact O-N 3.24Å; F86-L89 WeakPolarHBondContact O-CB 3.49Å; F86-L89 PolarHBondContact O-N 3.38Å; F86-L89 VanDerWaalsContact O-N 3.13Å; L89-R91 PolarHBondContact O-N 3.03Å; L89-V92 PolarHBondContact O-N 3.29Å; L89-A353 HydrophobicContact CD2-CB 3.79Å; L89-A353 WeakPolarHBondContact CD2-O 3.26Å; L89-A353 HydrophobicContact CG-CB 4.03Å; L89-L357 HydrophobicContact CD2-CB 4.41Å; L89-F361 HydrophobicContact CD1-CD2 4.17Å; L89-F361 HydrophobicContact CD1-CE2 3.76Å
90C87.1Confident86.1Confident30 Ų3066.4 Ų66.420%0.20332%0.32CS..THydrogen-bonded Turntrans-66.4-17.9179.1-59.60000114.7F86 V88 M169 Q173F86-C90 VanDerWaalsContact CE2-SG 3.6Å; F86-C90 PolarHBondContact O-N 3.39Å; F86-C90 PolarHBondContact O-SG 3.32Å; V88-C90 VanDerWaalsContact C-N 3.28Å; V88-C90 PolarHBondContact O-N 3.11Å; C90-M169 HydrophobicContact CB-CE 4.21Å; C90-M169 WeakPolarHBondContact SG-CE 3.44Å; C90-Q173 VanDerWaalsContact CB-NE2 3.29Å; C90-Q173 PolarHBondContact SG-NE2 3.2Å
91R87.6Confident85.5Confident203 Ų20368.4 Ų68.477%0.76633%0.329SS*.THydrogen-bonded Turntrans-99.6-5.5-178.1-69176.1-163.3-176.45113.8P87 V88 L89 E93P87-R91 VanDerWaalsContact O-CG 3.27Å; P87-R91 WeakPolarHBondContact O-CG 3.49Å; V88-R91 PolarHBondContact O-N 2.62Å; L89-R91 PolarHBondContact O-N 3.03Å; R91-E93 PolarHBondContact O-N 3.06Å
92V84Confident85Confident54 Ų5468.6 Ų68.633%0.32733%0.33SS..  trans-74.1110.4179.1-179.10000109.2V88 L89 D94 F95 L357V88-V92 WeakPolarHBondContact O-CG2 3.35Å; V88-V92 PolarHBondContact O-N 3.41Å; L89-V92 PolarHBondContact O-N 3.29Å; V92-D94 VanDerWaalsContact C-N 3.3Å; V92-D94 PolarHBondContact O-N 3.12Å; V92-F95 HydrophobicContact CB-CB 3.89Å; V92-F95 HydrophobicContact CG1-CB 3.86Å; V92-F95 PolarHBondContact O-N 3.03Å; V92-L357 HydrophobicContact CG1-CD2 4.32Å
93E72.6Confident84.8Confident172 Ų17267.7 Ų67.780%0.80433%0.326SS*.THydrogen-bonded Turntrans-59.4-37.8-174.9-66.1-174.9171.200113.7R91 F95 K96R91-E93 PolarHBondContact O-N 3.06Å; E93-F95 VanDerWaalsContact C-N 3.28Å; E93-F95 PolarHBondContact O-N 3.34Å; E93-K96 WeakPolarHBondContact O-CE 3.49Å
94D73.9Confident84.5Confident160 Ų16066.2 Ų66.286%0.85632%0.317SS*.THydrogen-bonded Turntrans-78.5-10.7-179.9-66-34000113.1V92 K96V92-D94 VanDerWaalsContact C-N 3.3Å; V92-D94 PolarHBondContact O-N 3.12Å; D94-K96 PolarHBondContact O-N 2.8Å
95F77.3Confident84.2Confident20 Ų2062.8 Ų62.89%0.08830%0.302CS..  trans-9496.9-179.7-176.4-137.2000111.5V92 E93 P97 I103 M169 L357 F361V92-F95 HydrophobicContact CB-CB 3.89Å; V92-F95 HydrophobicContact CG1-CB 3.86Å; V92-F95 PolarHBondContact O-N 3.03Å; E93-F95 VanDerWaalsContact C-N 3.28Å; E93-F95 PolarHBondContact O-N 3.34Å; F95-P97 HydrophobicContact CD2-CB 4.43Å; F95-P97 HydrophobicContact CD2-CG 4.33Å; F95-P97 HydrophobicContact CE1-CG 4.01Å; F95-P97 HydrophobicContact CE2-CB 3.71Å; F95-P97 HydrophobicContact CE2-CG 3.83Å; F95-P97 HydrophobicContact CZ-CB 3.87Å; F95-P97 HydrophobicContact CZ-CG 3.67Å; F95-I103 HydrophobicContact CE1-CD1 3.69Å; F95-I103 HydrophobicContact CZ-CD1 3.79Å; F95-M169 HydrophobicContact CE1-SD 4.45Å; F95-L357 HydrophobicContact CB-CD1 4.01Å; F95-L357 HydrophobicContact CB-CD2 4.18Å; F95-L357 HydrophobicContact CD1-CD1 3.93Å; F95-L357 HydrophobicContact CD2-CD1 2.93Å; F95-L357 HydrophobicContact CD2-CG 4.31Å; F95-L357 HydrophobicContact CE1-CD1 4.05Å; F95-L357 HydrophobicContact CE2-CD1 3.06Å; F95-L357 HydrophobicContact CG-CD1 3.36Å; F95-L357 HydrophobicContact CG-CD2 4.36Å; F95-L357 HydrophobicContact CG-CG 4.49Å; F95-L357 HydrophobicContact CZ-CD1 3.62Å; F95-F361 HydrophobicContact CZ-CB 4.21Å
96K72.7Confident84.1Confident178 Ų17862.8 Ų62.877%0.77430%0.302SS*.  trans-123.475.9175.3-64.4179.6-175.9174.30109E93 D94 Q98E93-K96 WeakPolarHBondContact O-CE 3.49Å; D94-K96 PolarHBondContact O-N 2.8Å; K96-Q98 PolarHBondContact O-N 3.47Å
97P73.9Confident84Confident17 Ų1762.1 Ų62.111%0.1130%0.299CS..  trans-62133.4-178.326.7-32.8000109.3F95 N99 T100 I103 M169F95-P97 HydrophobicContact CD2-CB 4.43Å; F95-P97 HydrophobicContact CD2-CG 4.33Å; F95-P97 HydrophobicContact CE1-CG 4.01Å; F95-P97 HydrophobicContact CE2-CB 3.71Å; F95-P97 HydrophobicContact CE2-CG 3.83Å; F95-P97 HydrophobicContact CZ-CB 3.87Å; F95-P97 HydrophobicContact CZ-CG 3.67Å; P97-N99 PolarHBondContact O-N 3.48Å; P97-T100 HydrophobicContact CG-CG2 4.03Å; P97-I103 HydrophobicContact CG-CD1 4.48Å; P97-M169 HydrophobicContact CG-CG 4.14Å; P97-M169 HydrophobicContact CG-SD 3.74Å
98Q68.3Low83.9Confident189 Ų18961.5 Ų61.588%0.88329%0.293SS*.SBendtrans-68-24.8171.4-66.1-172.83.300111.4K96K96-Q98 PolarHBondContact O-N 3.47Å
99N76.6Confident84Confident71 Ų7159.9 Ų59.938%0.3828%0.283SS..  trans-132.2119178-170.3-15.1000110.5P97 F101 L368P97-N99 PolarHBondContact O-N 3.48Å; N99-F101 WeakPolarHBondContact OD1-CB 3.41Å; N99-F101 PolarHBondContact OD1-N 3.23Å; N99-L368 HydrophobicContact CB-CD1 4.25Å
100T86.2Confident84.3Confident26 Ų2659.9 Ų59.916%0.1628%0.283CS..  trans-90.3-2.8179.2480000113.7P97 I103 Y104 P168 M169 L172P97-T100 HydrophobicContact CG-CG2 4.03Å; T100-I103 WeakPolarHBondContact O-CB 3.41Å; T100-I103 PolarHBondContact O-N 3.05Å; T100-Y104 PolarHBondContact O-N 2.94Å; T100-P168 HydrophobicContact CG2-CB 3.86Å; T100-M169 HydrophobicContact CG2-SD 3.86Å; T100-L172 HydrophobicContact CG2-CB 4.41Å; T100-L172 HydrophobicContact CG2-CD2 4.35Å
101F84.4Confident84.6Confident41 Ų4159.2 Ų59.218%0.1828%0.28CS..Hα-helixtrans-53.6-44.5-174.8-179.8-105.4000114.3N99 I103 Y104 M105 Q371 W375N99-F101 WeakPolarHBondContact OD1-CB 3.41Å; N99-F101 PolarHBondContact OD1-N 3.23Å; F101-I103 VanDerWaalsContact C-N 3.26Å; F101-I103 PolarHBondContact O-N 3.5Å; F101-Y104 WeakPolarHBondContact O-CB 3.37Å; F101-Y104 PolarHBondContact O-N 2.96Å; F101-M105 HydrophobicContact CD1-SD 3.96Å; F101-M105 HydrophobicContact CE1-CG 4.17Å; F101-M105 HydrophobicContact CE1-SD 3.33Å; F101-M105 WeakPolarHBondContact CE1-SD 3.09Å; F101-M105 HydrophobicContact CE2-CG 4.26Å; F101-M105 HydrophobicContact CE2-SD 4.38Å; F101-M105 HydrophobicContact CZ-CG 4.01Å; F101-M105 HydrophobicContact CZ-SD 3.57Å; F101-M105 VanDerWaalsContact CZ-SD 3.57Å; F101-M105 WeakPolarHBondContact O-CG 3.38Å; F101-M105 PolarHBondContact O-N 2.93Å; F101-Q371 HydrophobicContact CE1-CB 4.46Å; F101-Q371 HydrophobicContact CE1-CG 4Å; F101-W375 AromaticContact CE2-CD1 3.96Å; F101-W375 HydrophobicContact CE2-CG 4.24Å; F101-W375 HydrophobicContact CZ-CB 3.84Å; F101-W375 AromaticContact CZ-CD1 3.87Å; F101-W375 HydrophobicContact CZ-CD2 4.26Å; F101-W375 AromaticContact CZ-CG 3.69Å; F101-W375 HydrophobicContact CZ-CG 3.69Å
102P87.5Confident85Confident4 Ų449.7 Ų49.73%0.02624%0.244CC..Hα-helixtrans-60.7-34.9177-26.537.3000113.7F361 P363 L368P102-F361 HydrophobicContact CB-CD1 3.83Å; P102-F361 HydrophobicContact CB-CE1 4.41Å; P102-P363 HydrophobicContact CG-CG 4.02Å; P102-L368 HydrophobicContact CG-CD2 3.61Å
103I90.8Very high85.6Confident2 Ų247.1 Ų47.11%0.0123%0.229CC..Hα-helixtrans-75.5-40.4178.4-50.1175.3000109.7W81 F86 F95 P97 T100 F101 M105 V106 V107 M169 L172 F361W81-I103 HydrophobicContact CH2-CG2 3.84Å; F86-I103 HydrophobicContact CD2-CG2 3.9Å; F86-I103 HydrophobicContact CE2-CG2 3.7Å; F95-I103 HydrophobicContact CE1-CD1 3.69Å; F95-I103 HydrophobicContact CZ-CD1 3.79Å; P97-I103 HydrophobicContact CG-CD1 4.48Å; T100-I103 WeakPolarHBondContact O-CB 3.41Å; T100-I103 PolarHBondContact O-N 3.05Å; F101-I103 VanDerWaalsContact C-N 3.26Å; F101-I103 PolarHBondContact O-N 3.5Å; I103-M105 VanDerWaalsContact C-N 3.28Å; I103-M105 PolarHBondContact O-N 2.92Å; I103-V106 PolarHBondContact O-N 3.48Å; I103-V106 VanDerWaalsContact O-N 3.17Å; I103-V107 PolarHBondContact O-N 2.98Å; I103-M169 HydrophobicContact CD1-CE 4.35Å; I103-M169 HydrophobicContact CD1-SD 3.98Å; I103-L172 HydrophobicContact CB-CD2 3.75Å; I103-L172 HydrophobicContact CD1-CD2 4.42Å; I103-L172 HydrophobicContact CG2-CD2 3.58Å; I103-F361 HydrophobicContact CG1-CB 4.27Å; I103-F361 HydrophobicContact CG1-CD1 3.88Å; I103-F361 HydrophobicContact CG1-CD2 4.17Å; I103-F361 HydrophobicContact CG1-CE1 4.22Å; I103-F361 HydrophobicContact CG1-CG 3.85Å
104Y89.4Confident86.8Confident60 Ų6038.9 Ų38.924%0.23519%0.19CC..Hα-helixtrans-55.7-42.5173.6174.4-92.6000111.8T100 F101 V106 V107 H108 L172 M179T100-Y104 PolarHBondContact O-N 2.94Å; F101-Y104 WeakPolarHBondContact O-CB 3.37Å; F101-Y104 PolarHBondContact O-N 2.96Å; Y104-V106 VanDerWaalsContact C-N 3.31Å; Y104-V106 PolarHBondContact O-N 3.18Å; Y104-V107 WeakPolarHBondContact O-CB 3.4Å; Y104-V107 PolarHBondContact O-N 3.35Å; Y104-V107 VanDerWaalsContact O-N 3.13Å; Y104-H108 HydrophobicContact CD1-CB 4.42Å; Y104-H108 HydrophobicContact CE1-CB 4.05Å; Y104-H108 AromaticContact CZ-CD2 3.96Å; Y104-H108 WeakPolarHBondContact O-CB 3.41Å; Y104-H108 PolarHBondContact O-N 3.12Å; Y104-H108 PolarHBondContact OH-CD2 3.09Å; Y104-L172 HydrophobicContact CD2-CD1 3.97Å; Y104-L172 HydrophobicContact CG-CD1 4.34Å; Y104-M179 HydrophobicContact CE2-CE 3.71Å
105M89.9Confident87.9Confident0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-60.3-39.6177.8-71.4179.16900112.5F101 I103 V107 H108 H109 Q371 W375F101-M105 HydrophobicContact CD1-SD 3.96Å; F101-M105 HydrophobicContact CE1-CG 4.17Å; F101-M105 HydrophobicContact CE1-SD 3.33Å; F101-M105 WeakPolarHBondContact CE1-SD 3.09Å; F101-M105 HydrophobicContact CE2-CG 4.26Å; F101-M105 HydrophobicContact CE2-SD 4.38Å; F101-M105 HydrophobicContact CZ-CG 4.01Å; F101-M105 HydrophobicContact CZ-SD 3.57Å; F101-M105 VanDerWaalsContact CZ-SD 3.57Å; F101-M105 WeakPolarHBondContact O-CG 3.38Å; F101-M105 PolarHBondContact O-N 2.93Å; I103-M105 VanDerWaalsContact C-N 3.28Å; I103-M105 PolarHBondContact O-N 2.92Å; M105-V107 VanDerWaalsContact C-N 3.35Å; M105-V107 PolarHBondContact O-N 3.42Å; M105-H108 PolarHBondContact O-N 3.42Å; M105-H109 PolarHBondContact O-N 2.93Å; M105-Q371 HydrophobicContact CE-CG 4.33Å; M105-Q371 HydrophobicContact SD-CG 3.92Å; M105-Q371 PolarHBondContact SD-NE2 3.04Å; M105-W375 HydrophobicContact CE-CD2 4.47Å; M105-W375 HydrophobicContact CE-CE3 3.77Å; M105-W375 HydrophobicContact CE-CZ3 3.98Å
106V93.4Very high88.8Confident0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-62.6-43.2174.9-175.80000111.4M27 W32 V78 W81 I103 Y104 H109 F361M27-V106 HydrophobicContact CB-CG1 4.13Å; M27-V106 HydrophobicContact SD-CG1 4.46Å; W32-V106 VanDerWaalsContact CH2-CA 3.5Å; W32-V106 HydrophobicContact CH2-CB 4.22Å; W32-V106 HydrophobicContact CH2-CG2 3.97Å; W32-V106 HydrophobicContact CZ2-CG1 4.43Å; W32-V106 HydrophobicContact CZ2-CG2 4.43Å; W32-V106 HydrophobicContact CZ3-CG2 4.03Å; V78-V106 VanDerWaalsContact CG1-O 3.26Å; V78-V106 WeakPolarHBondContact CG1-O 3.27Å; W81-V106 HydrophobicContact CD2-CG1 3.73Å; W81-V106 HydrophobicContact CE3-CB 4.41Å; W81-V106 HydrophobicContact CE3-CG1 3.49Å; W81-V106 VanDerWaalsContact CE3-CG1 3.49Å; W81-V106 HydrophobicContact CG-CG1 4.45Å; W81-V106 HydrophobicContact CH2-CB 4.09Å; W81-V106 HydrophobicContact CH2-CG1 3.93Å; W81-V106 HydrophobicContact CZ2-CG1 4.15Å; W81-V106 HydrophobicContact CZ3-CB 4.02Å; W81-V106 HydrophobicContact CZ3-CG1 3.6Å; I103-V106 PolarHBondContact O-N 3.48Å; I103-V106 VanDerWaalsContact O-N 3.17Å; Y104-V106 VanDerWaalsContact C-N 3.31Å; Y104-V106 PolarHBondContact O-N 3.18Å; V106-H109 PolarHBondContact O-N 3.25Å; V106-F361 HydrophobicContact CG2-CE1 3.99Å; V106-F361 HydrophobicContact CG2-CZ 4Å
107V91.4Very high90Very high1 Ų123 Ų231%0.00612%0.115CC..Hα-helixtrans-64.2-42.5175.3174.90000111.3W81 K82 I103 Y104 M105 H109 A176 M179W81-V107 HydrophobicContact CZ3-CG2 4.13Å; K82-V107 HydrophobicContact CD-CB 4.49Å; K82-V107 HydrophobicContact CD-CG1 4.09Å; K82-V107 HydrophobicContact CD-CG2 4.47Å; I103-V107 PolarHBondContact O-N 2.98Å; Y104-V107 WeakPolarHBondContact O-CB 3.4Å; Y104-V107 PolarHBondContact O-N 3.35Å; Y104-V107 VanDerWaalsContact O-N 3.13Å; M105-V107 VanDerWaalsContact C-N 3.35Å; M105-V107 PolarHBondContact O-N 3.42Å; V107-H109 VanDerWaalsContact C-N 3.3Å; V107-H109 PolarHBondContact O-N 3.39Å; V107-A176 HydrophobicContact CG1-CB 3.72Å; V107-M179 HydrophobicContact CG1-CE 4.41Å; V107-M179 HydrophobicContact CG1-SD 3.92Å
108H91.9Very high91.1Very high27 Ų2723.9 Ų23.913%0.12512%0.117CC..Hα-helixtrans-65.9-30.3-179.6-170.4-85.5000113H36 Y104 M105 E110 A111 S112 M179 W375 Y379H36-H108 AromaticContact CE1-ND1 3.83Å; Y104-H108 HydrophobicContact CD1-CB 4.42Å; Y104-H108 HydrophobicContact CE1-CB 4.05Å; Y104-H108 AromaticContact CZ-CD2 3.96Å; Y104-H108 WeakPolarHBondContact O-CB 3.41Å; Y104-H108 PolarHBondContact O-N 3.12Å; Y104-H108 PolarHBondContact OH-CD2 3.09Å; M105-H108 PolarHBondContact O-N 3.42Å; H108-E110 PolarHBondContact O-N 3.2Å; H108-A111 WeakPolarHBondContact O-CA 3.36Å; H108-A111 VanDerWaalsContact O-CB 3.32Å; H108-A111 WeakPolarHBondContact O-CB 3.48Å; H108-A111 PolarHBondContact O-N 3.44Å; H108-S112 PolarHBondContact CE1-OG 2.94Å; H108-S112 PolarHBondContact ND1-OG 3.26Å; H108-S112 PolarHBondContact O-N 2.88Å; H108-S112 PolarHBondContact O-OG 3.01Å; H108-M179 VanDerWaalsContact CA-SD 3.59Å; H108-M179 HydrophobicContact CB-CE 4.13Å; H108-M179 HydrophobicContact CB-SD 4.4Å; H108-W375 AromaticContact ND1-CH2 3.88Å; H108-W375 AromaticContact ND1-CZ2 3.89Å; H108-Y379 PolarHBondContact CE1-OH 2.72Å
109H94.6Very high92.3Very high2 Ų216.2 Ų16.21%0.0098%0.083CC..Hα-helixtrans-57.6-34.6-178.8-167.841.5000113.8W32 H36 L39 E74 V78 M105 V106 V107 A111 S112 I113W32-H109 AromaticContact CE2-CD2 3.73Å; W32-H109 HydrophobicContact CH2-CB 3.63Å; W32-H109 AromaticContact CH2-CG 3.95Å; W32-H109 HydrophobicContact CZ2-CB 3.5Å; W32-H109 VanDerWaalsContact CZ2-CB 3.5Å; W32-H109 AromaticContact CZ2-CD2 3.22Å; W32-H109 WeakPolarHBondContact CZ2-CD2 3.31Å; W32-H109 AromaticContact CZ2-CG 3.49Å; W32-H109 VanDerWaalsContact CZ2-CG 3.49Å; W32-H109 AromaticContact NE1-CD2 3.83Å; H36-H109 VanDerWaalsContact CE1-CA 3.48Å; H36-H109 WeakPolarHBondContact CE1-CA 3.28Å; H36-H109 AromaticContact CE1-ND1 3.83Å; H36-H109 AromaticContact CG-ND1 3.89Å; H36-H109 WeakPolarHBondContact ND1-CB 3.36Å; H36-H109 AromaticContact ND1-CE1 3.78Å; H36-H109 AromaticContact ND1-CG 3.42Å; H36-H109 AromaticContact ND1-ND1 2.92Å; H36-H109 PolarHBondContact ND1-ND1 2.92Å; L39-H109 WeakPolarHBondContact CD2-CE1 3.45Å; E74-H109 IonicContact OE2-NE2 3.9Å; V78-H109 HydrophobicContact CG2-CB 4.32Å; M105-H109 PolarHBondContact O-N 2.93Å; V106-H109 PolarHBondContact O-N 3.25Å; V107-H109 VanDerWaalsContact C-N 3.3Å; V107-H109 PolarHBondContact O-N 3.39Å; H109-A111 VanDerWaalsContact C-N 3.31Å; H109-A111 PolarHBondContact O-N 2.91Å; H109-S112 WeakPolarHBondContact O-CB 3.41Å; H109-S112 PolarHBondContact O-N 3Å; H109-I113 VanDerWaalsContact O-CG1 3.31Å; H109-I113 WeakPolarHBondContact O-CG1 3.35Å; H109-I113 PolarHBondContact O-N 3.41Å
110E96.2Very high93.2Very high0 Ų012.9 Ų12.90%07%0.066CC..Hα-helixtrans-62.8-40.7174.9-167.9176159.200111.7L75 V78 K82 H108 I113 I114 Y140 K144 I183L75-E110 HydrophobicContact CD1-CG 3.73Å; V78-E110 HydrophobicContact CB-CB 4.3Å; V78-E110 HydrophobicContact CG1-CB 3.74Å; K82-E110 WeakPolarHBondContact CD-OE2 3.22Å; K82-E110 WeakPolarHBondContact CE-OE2 3.47Å; K82-E110 VanDerWaalsContact NZ-CD 3.33Å; K82-E110 IonicContact NZ-OE1 2.77Å; K82-E110 IonicContact NZ-OE2 2.87Å; K82-E110 PolarHBondContact NZ-OE2 3.45Å; H108-E110 PolarHBondContact O-N 3.2Å; E110-I113 PolarHBondContact O-N 3.31Å; E110-I114 VanDerWaalsContact O-CG2 3.29Å; E110-I114 WeakPolarHBondContact O-CG2 3.26Å; E110-I114 PolarHBondContact O-N 2.69Å; E110-Y140 WeakPolarHBondContact CG-OH 3.5Å; E110-Y140 VanDerWaalsContact OE1-CE2 3.29Å; E110-Y140 WeakPolarHBondContact OE1-CE2 3.36Å; E110-Y140 PolarHBondContact OE1-OH 3.47Å; E110-K144 WeakPolarHBondContact OE1-CE 3.32Å; E110-K144 IonicContact OE1-NZ 2.8Å; E110-K144 PolarHBondContact OE1-NZ 2.99Å; E110-I183 HydrophobicContact CB-CD1 4.01Å; E110-I183 HydrophobicContact CG-CD1 4.06Å; E110-I183 HydrophobicContact CG-CG2 4.32Å
111A94.4Very high93.6Very high17 Ų1711.8 Ų11.814%0.146%0.059CC..Hα-helixtrans-63.4-41.2175.300000111.7H108 H109 I114 N115 M179 I183H108-A111 WeakPolarHBondContact O-CA 3.36Å; H108-A111 VanDerWaalsContact O-CB 3.32Å; H108-A111 WeakPolarHBondContact O-CB 3.48Å; H108-A111 PolarHBondContact O-N 3.44Å; H109-A111 VanDerWaalsContact C-N 3.31Å; H109-A111 PolarHBondContact O-N 2.91Å; A111-I114 WeakPolarHBondContact O-CG2 3.47Å; A111-N115 WeakPolarHBondContact O-CB 3.35Å; A111-N115 PolarHBondContact O-N 3.31Å; A111-M179 HydrophobicContact CB-CG 4.02Å; A111-M179 HydrophobicContact CB-SD 3.9Å; A111-I183 HydrophobicContact CB-CD1 4.18Å; A111-I183 HydrophobicContact CB-CG1 3.94Å
112S94.8Very high93.9Very high2 Ų215.8 Ų15.81%0.0148%0.076CC..Hα-helixtrans-60.5-48174.5-56.80000112.1E40 H108 H109 L116E40-S112 WeakPolarHBondContact OE2-CB 3.25Å; E40-S112 PolarHBondContact OE2-OG 3.27Å; H108-S112 PolarHBondContact CE1-OG 2.94Å; H108-S112 PolarHBondContact ND1-OG 3.26Å; H108-S112 PolarHBondContact O-N 2.88Å; H108-S112 PolarHBondContact O-OG 3.01Å; H109-S112 WeakPolarHBondContact O-CB 3.41Å; H109-S112 PolarHBondContact O-N 3Å; S112-L116 PolarHBondContact O-N 3.49Å
113I97.8Very high94.1Very high0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-66.3-49.7-178.3-61.4162.6000110.5L39 L71 E74 L75 H109 E110 N115 L116 L117L39-I113 HydrophobicContact CD2-CB 4.21Å; L39-I113 HydrophobicContact CD2-CD1 4.42Å; L39-I113 HydrophobicContact CD2-CG1 3.28Å; L71-I113 HydrophobicContact CB-CG2 4.3Å; E74-I113 HydrophobicContact CB-CD1 3.78Å; L75-I113 HydrophobicContact CB-CD1 4.48Å; L75-I113 HydrophobicContact CB-CG2 3.85Å; L75-I113 HydrophobicContact CD1-CB 3.92Å; L75-I113 HydrophobicContact CD1-CG2 3.89Å; L75-I113 HydrophobicContact CG-CG2 4.39Å; H109-I113 VanDerWaalsContact O-CG1 3.31Å; H109-I113 WeakPolarHBondContact O-CG1 3.35Å; H109-I113 PolarHBondContact O-N 3.41Å; E110-I113 PolarHBondContact O-N 3.31Å; I113-N115 VanDerWaalsContact C-N 3.25Å; I113-N115 PolarHBondContact O-N 2.57Å; I113-L116 PolarHBondContact O-N 3.09Å; I113-L117 HydrophobicContact CG2-CD1 3.83Å; I113-L117 HydrophobicContact CG2-CG 4.19Å; I113-L117 VanDerWaalsContact O-CG 3.32Å; I113-L117 WeakPolarHBondContact O-CG 3.26Å; I113-L117 PolarHBondContact O-N 2.77Å
114I97.8Very high94.1Very high0 Ų021.3 Ų21.30%010%0.1CC..Hα-helixtrans-65.9-30.5-177.4-164.461.7000112L75 E110 A111 L117 E118 Y140 I183 K186 A187 V190L75-I114 HydrophobicContact CD1-CB 4.06Å; L75-I114 HydrophobicContact CD2-CD1 4.15Å; E110-I114 VanDerWaalsContact O-CG2 3.29Å; E110-I114 WeakPolarHBondContact O-CG2 3.26Å; E110-I114 PolarHBondContact O-N 2.69Å; A111-I114 WeakPolarHBondContact O-CG2 3.47Å; I114-L117 HydrophobicContact CD1-CD1 4.45Å; I114-E118 VanDerWaalsContact O-CB 3.27Å; I114-E118 WeakPolarHBondContact O-CB 3.33Å; I114-E118 PolarHBondContact O-N 3.42Å; I114-Y140 HydrophobicContact CD1-CD1 4.5Å; I114-Y140 HydrophobicContact CD1-CE1 3.77Å; I114-Y140 HydrophobicContact CG1-CE1 4.37Å; I114-I183 HydrophobicContact CG2-CB 4.45Å; I114-I183 HydrophobicContact CG2-CG1 4.23Å; I114-I183 HydrophobicContact CG2-CG2 4.27Å; I114-K186 HydrophobicContact CB-CB 4.48Å; I114-K186 HydrophobicContact CG1-CB 3.77Å; I114-K186 HydrophobicContact CG2-CB 3.96Å; I114-K186 HydrophobicContact CG2-CD 3.93Å; I114-A187 HydrophobicContact CD1-CB 4.46Å; I114-V190 HydrophobicContact CD1-CB 4.42Å; I114-V190 HydrophobicContact CD1-CG2 3.86Å
115N95.8Very high94.3Very high25 Ų2523.9 Ų23.913%0.13411%0.114CC..Hα-helixtrans-71-39.4174.7-170.274.6000112.6N43 I47 A111 I113 E118 T119 K186N43-N115 VanDerWaalsContact CG-ND2 3.31Å; N43-N115 PolarHBondContact ND2-ND2 3.46Å; N43-N115 PolarHBondContact OD1-ND2 2.67Å; I47-N115 WeakPolarHBondContact CD1-ND2 3.46Å; A111-N115 WeakPolarHBondContact O-CB 3.35Å; A111-N115 PolarHBondContact O-N 3.31Å; I113-N115 VanDerWaalsContact C-N 3.25Å; I113-N115 PolarHBondContact O-N 2.57Å; N115-E118 PolarHBondContact O-N 2.91Å; N115-T119 PolarHBondContact O-N 3.42Å; N115-T119 PolarHBondContact O-OG1 3.44Å; N115-K186 HydrophobicContact CB-CD 3.92Å; N115-K186 WeakPolarHBondContact OD1-CE 3.33Å; N115-K186 PolarHBondContact OD1-NZ 2.76Å
116L96.9Very high94.5Very high0 Ų023.9 Ų23.90%011%0.114CC..Hα-helixtrans-63.4-47.9172.417561.2000109.8L39 N43 A46 I58 L71 S112 I113 E118 T119 V120L39-L116 HydrophobicContact CD1-CD2 3.72Å; L39-L116 HydrophobicContact CG-CD2 4.41Å; N43-L116 HydrophobicContact CB-CB 4.16Å; N43-L116 WeakPolarHBondContact OD1-CA 3.34Å; N43-L116 PolarHBondContact OD1-N 2.67Å; N43-L116 VanDerWaalsContact OD1-N 3.14Å; A46-L116 HydrophobicContact CB-CD1 3.89Å; I58-L116 HydrophobicContact CG2-CD1 4.16Å; L71-L116 HydrophobicContact CD1-CD2 3.93Å; L71-L116 HydrophobicContact CD2-CD2 4.48Å; S112-L116 PolarHBondContact O-N 3.49Å; I113-L116 PolarHBondContact O-N 3.09Å; L116-E118 PolarHBondContact O-N 3.35Å; L116-T119 WeakPolarHBondContact O-CB 3.46Å; L116-T119 PolarHBondContact O-N 3.01Å; L116-V120 HydrophobicContact CD1-CG1 3.89Å; L116-V120 WeakPolarHBondContact O-CG2 3.36Å; L116-V120 PolarHBondContact O-N 2.94Å
117L98Very high94.6Very high0 Ų024.2 Ų24.20%012%0.116CC..Hα-helixtrans-59.5-44.3177.1-67.5172.9000111.8L71 L75 I113 I114 T119 V120 F121 L137 V190L71-L117 HydrophobicContact CB-CD2 4.12Å; L71-L117 HydrophobicContact CD1-CD2 4.14Å; L75-L117 HydrophobicContact CD2-CD1 3.85Å; I113-L117 HydrophobicContact CG2-CD1 3.83Å; I113-L117 HydrophobicContact CG2-CG 4.19Å; I113-L117 VanDerWaalsContact O-CG 3.32Å; I113-L117 WeakPolarHBondContact O-CG 3.26Å; I113-L117 PolarHBondContact O-N 2.77Å; I114-L117 HydrophobicContact CD1-CD1 4.45Å; L117-T119 PolarHBondContact O-N 2.95Å; L117-V120 PolarHBondContact O-N 3.45Å; L117-F121 HydrophobicContact CB-CD2 4.17Å; L117-F121 HydrophobicContact CB-CE2 4.46Å; L117-F121 HydrophobicContact CD2-CD2 3.97Å; L117-F121 HydrophobicContact CD2-CE2 3.51Å; L117-F121 WeakPolarHBondContact O-CB 3.38Å; L117-F121 WeakPolarHBondContact O-CD2 3.42Å; L117-F121 PolarHBondContact O-N 3.37Å; L117-L137 HydrophobicContact CD1-CD1 4.4Å; L117-V190 HydrophobicContact CB-CG2 4.18Å
118E95.8Very high94.7Very high35 Ų3528.9 Ų28.916%0.16414%0.138CC..Hα-helixtrans-56.2-38.4173.6176178-14000111.7I114 N115 L116 K186 S189 V190 Y193I114-E118 VanDerWaalsContact O-CB 3.27Å; I114-E118 WeakPolarHBondContact O-CB 3.33Å; I114-E118 PolarHBondContact O-N 3.42Å; N115-E118 PolarHBondContact O-N 2.91Å; L116-E118 PolarHBondContact O-N 3.35Å; E118-K186 WeakPolarHBondContact OE2-CD 3.44Å; E118-K186 WeakPolarHBondContact OE2-CG 3.04Å; E118-K186 IonicContact OE2-NZ 3.63Å; E118-K186 PolarHBondContact OE2-NZ 3.29Å; E118-S189 WeakPolarHBondContact OE1-CB 3.48Å; E118-S189 PolarHBondContact OE1-OG 3.16Å; E118-V190 HydrophobicContact CB-CG2 4Å; E118-Y193 HydrophobicContact CG-CE2 4.3Å; E118-Y193 WeakPolarHBondContact O-CE2 3.42Å
119T94.4Very high94.8Very high27 Ų2728.5 Ų28.517%0.16614%0.139CC..Hα-helixtrans-71.7-48.3180-53.20000111.2A46 A50 N115 L116 L117A46-T119 HydrophobicContact CB-CG2 3.94Å; A50-T119 HydrophobicContact CB-CG2 4.34Å; N115-T119 PolarHBondContact O-N 3.42Å; N115-T119 PolarHBondContact O-OG1 3.44Å; L116-T119 WeakPolarHBondContact O-CB 3.46Å; L116-T119 PolarHBondContact O-N 3.01Å; L117-T119 PolarHBondContact O-N 2.95Å
120V95.3Very high94.8Very high2 Ų228.4 Ų28.41%0.01214%0.138CC..Hα-helixtrans-84.3-28-172.1-59.10000114Q59 L62 L116 L117 F122 H123 V126Q59-V120 HydrophobicContact CB-CB 4.21Å; Q59-V120 HydrophobicContact CB-CG1 4.22Å; L62-V120 HydrophobicContact CD1-CB 4.48Å; L62-V120 HydrophobicContact CD1-CG1 4.05Å; L62-V120 HydrophobicContact CD1-CG2 4.11Å; L116-V120 HydrophobicContact CD1-CG1 3.89Å; L116-V120 WeakPolarHBondContact O-CG2 3.36Å; L116-V120 PolarHBondContact O-N 2.94Å; L117-V120 PolarHBondContact O-N 3.45Å; V120-F122 PolarHBondContact O-N 3.27Å; V120-F122 VanDerWaalsContact O-N 3.16Å; V120-H123 PolarHBondContact O-N 3.49Å; V120-H123 VanDerWaalsContact O-N 3.14Å; V120-V126 HydrophobicContact CB-CG1 4.27Å; V120-V126 HydrophobicContact CB-CG2 4.29Å; V120-V126 HydrophobicContact CG2-CG1 3.81Å; V120-V126 VanDerWaalsContact O-CG2 3.31Å; V120-V126 WeakPolarHBondContact O-CG2 3.38Å
121F95.4Very high94.5Very high2 Ų235.2 Ų35.21%0.00917%0.17CC..THydrogen-bonded Turntrans-68.9-10.6179.3-92.6-111.2000113.6V68 L117 H123 V126 C127 A130 L137 V190 Y193 I194V68-F121 HydrophobicContact CG1-CE2 3.84Å; V68-F121 HydrophobicContact CG1-CZ 3.88Å; L117-F121 HydrophobicContact CB-CD2 4.17Å; L117-F121 HydrophobicContact CB-CE2 4.46Å; L117-F121 HydrophobicContact CD2-CD2 3.97Å; L117-F121 HydrophobicContact CD2-CE2 3.51Å; L117-F121 WeakPolarHBondContact O-CB 3.38Å; L117-F121 WeakPolarHBondContact O-CD2 3.42Å; L117-F121 PolarHBondContact O-N 3.37Å; F121-H123 PolarHBondContact O-N 3.17Å; F121-H123 VanDerWaalsContact O-N 3.12Å; F121-V126 HydrophobicContact CD2-CG1 3.69Å; F121-V126 HydrophobicContact CE2-CG1 3.7Å; F121-V126 HydrophobicContact CG-CG1 4.33Å; F121-V126 HydrophobicContact CZ-CG1 4.4Å; F121-C127 HydrophobicContact CD1-CB 4.18Å; F121-C127 HydrophobicContact CE1-CB 4.17Å; F121-A130 HydrophobicContact CZ-CB 4.15Å; F121-L137 HydrophobicContact CE1-CD2 3.68Å; F121-L137 HydrophobicContact CE2-CD2 4.26Å; F121-L137 HydrophobicContact CZ-CD2 3.54Å; F121-V190 HydrophobicContact CD1-CG1 4.44Å; F121-V190 HydrophobicContact CG-CG1 4.49Å; F121-Y193 HydrophobicContact CB-CD2 3.94Å; F121-Y193 HydrophobicContact CB-CG 4.37Å; F121-Y193 WeakPolarHBondContact O-CB 3.29Å; F121-I194 HydrophobicContact CD1-CG1 4.13Å; F121-I194 HydrophobicContact CE1-CG1 4.15Å
122F90.3Very high94.4Very high125 Ų12538.8 Ų38.855%0.54819%0.187SC..THydrogen-bonded Turntrans-53.4-28168.1179.8-98.8000112V120 Y193V120-F122 PolarHBondContact O-N 3.27Å; V120-F122 VanDerWaalsContact O-N 3.16Å; F122-Y193 HydrophobicContact CB-CE1 4.45Å; F122-Y193 AromaticContact CD2-CE1 3.88Å; F122-Y193 HydrophobicContact CD2-CE1 3.88Å
123H91.2Very high94.5Very high31 Ų3139.8 Ų39.814%0.14419%0.193CC..SBendtrans-93.2128177.8-60.2-80.2000111.8E56 Q59 V120 F121 E125 V126E56-H123 IonicContact OE1-CE1 3.68Å; E56-H123 IonicContact OE1-NE2 3.6Å; E56-H123 PolarHBondContact OE1-NE2 2.93Å; E56-H123 IonicContact OE2-CD2 2.98Å; E56-H123 IonicContact OE2-CE1 3.68Å; E56-H123 PolarHBondContact OE2-CE1 3.42Å; E56-H123 IonicContact OE2-ND1 2.68Å; E56-H123 IonicContact OE2-NE2 3.24Å; E56-H123 PolarHBondContact OE2-NE2 3.41Å; Q59-H123 PolarHBondContact NE2-CD2 2.93Å; Q59-H123 PolarHBondContact NE2-CE1 2.92Å; Q59-H123 VanDerWaalsContact NE2-CE1 3.34Å; Q59-H123 PolarHBondContact NE2-ND1 3.3Å; Q59-H123 PolarHBondContact NE2-NE2 2.83Å; Q59-H123 PolarHBondContact OE1-CD2 3.07Å; Q59-H123 PolarHBondContact OE1-NE2 2.99Å; V120-H123 PolarHBondContact O-N 3.49Å; V120-H123 VanDerWaalsContact O-N 3.14Å; F121-H123 PolarHBondContact O-N 3.17Å; F121-H123 VanDerWaalsContact O-N 3.12Å; H123-E125 VanDerWaalsContact C-N 3.26Å; H123-E125 PolarHBondContact O-N 3.04Å; H123-V126 HydrophobicContact CB-CG2 4.16Å; H123-V126 WeakPolarHBondContact O-CB 3.47Å; H123-V126 PolarHBondContact O-N 3.34Å; H123-V126 VanDerWaalsContact O-N 3.12Å
124K91.4Very high94.4Very high92 Ų9240.1 Ų40.140%0.420%0.195SC..Hα-helixtrans-59.5-37.6-174.8-177.3174.5-172.3-165.70112.3V126 C127 E128 S200K124-V126 PolarHBondContact O-N 2.88Å; K124-C127 WeakPolarHBondContact O-CB 3.3Å; K124-C127 PolarHBondContact O-N 3.36Å; K124-C127 VanDerWaalsContact O-N 3.08Å; K124-E128 WeakPolarHBondContact CE-OE1 3.43Å; K124-E128 HydrophobicContact CG-CG 4.42Å; K124-E128 IonicContact NZ-OE1 3.57Å; K124-E128 PolarHBondContact O-N 3.03Å; K124-S200 WeakPolarHBondContact CE-OG 3.38Å
125E93.6Very high94.3Very high113 Ų11340.2 Ų40.253%0.52820%0.195SC..Hα-helixtrans-59.5-33.2-179.4-61.777.6-172.100111.8H123 S129H123-E125 VanDerWaalsContact C-N 3.26Å; H123-E125 PolarHBondContact O-N 3.04Å; E125-S129 WeakPolarHBondContact O-CB 3.41Å; E125-S129 PolarHBondContact O-N 2.98Å; E125-S129 PolarHBondContact O-OG 3.24Å
126V94.7Very high94.4Very high1 Ų139.4 Ų39.41%0.00619%0.191CC..Hα-helixtrans-69-44177.1179.10000110.4Q59 V63 V68 V120 F121 H123 K124 E128 S129 A130Q59-V126 HydrophobicContact CB-CG2 3.82Å; V63-V126 HydrophobicContact CG2-CG2 3.99Å; V68-V126 HydrophobicContact CG1-CG1 4.44Å; V68-V126 HydrophobicContact CG2-CG1 3.84Å; V120-V126 HydrophobicContact CB-CG1 4.27Å; V120-V126 HydrophobicContact CB-CG2 4.29Å; V120-V126 HydrophobicContact CG2-CG1 3.81Å; V120-V126 VanDerWaalsContact O-CG2 3.31Å; V120-V126 WeakPolarHBondContact O-CG2 3.38Å; F121-V126 HydrophobicContact CD2-CG1 3.69Å; F121-V126 HydrophobicContact CE2-CG1 3.7Å; F121-V126 HydrophobicContact CG-CG1 4.33Å; F121-V126 HydrophobicContact CZ-CG1 4.4Å; H123-V126 HydrophobicContact CB-CG2 4.16Å; H123-V126 WeakPolarHBondContact O-CB 3.47Å; H123-V126 PolarHBondContact O-N 3.34Å; H123-V126 VanDerWaalsContact O-N 3.12Å; K124-V126 PolarHBondContact O-N 2.88Å; V126-E128 VanDerWaalsContact C-N 3.34Å; V126-E128 PolarHBondContact O-N 3.18Å; V126-S129 PolarHBondContact O-N 3.27Å; V126-S129 PolarHBondContact O-OG 3.43Å; V126-A130 PolarHBondContact O-N 3.36Å
127C94.6Very high94.5Very high6 Ų639.4 Ų39.44%0.04119%0.191CC..Hα-helixtrans-61.7-42.8176.1-1740000111.5F121 K124 S129 A130 C197F121-C127 HydrophobicContact CD1-CB 4.18Å; F121-C127 HydrophobicContact CE1-CB 4.17Å; K124-C127 WeakPolarHBondContact O-CB 3.3Å; K124-C127 PolarHBondContact O-N 3.36Å; K124-C127 VanDerWaalsContact O-N 3.08Å; C127-S129 VanDerWaalsContact C-N 3.33Å; C127-S129 PolarHBondContact O-N 3.03Å; C127-A130 VanDerWaalsContact O-CB 3.3Å; C127-A130 WeakPolarHBondContact O-CB 3.27Å; C127-A130 PolarHBondContact O-N 3.26Å; C127-C197 HydrophobicContact CB-CB 4.37Å
128E92.9Very high94.5Very high100 Ų10039.4 Ų39.447%0.46719%0.191SC..Hα-helixtrans-64.4-36.9176.8-68.1178.9170.300112.1K124 V126 A130 E131 S200K124-E128 WeakPolarHBondContact CE-OE1 3.43Å; K124-E128 HydrophobicContact CG-CG 4.42Å; K124-E128 IonicContact NZ-OE1 3.57Å; K124-E128 PolarHBondContact O-N 3.03Å; V126-E128 VanDerWaalsContact C-N 3.34Å; V126-E128 PolarHBondContact O-N 3.18Å; E128-A130 PolarHBondContact O-N 3.13Å; E128-E131 PolarHBondContact O-N 3.18Å; E128-S200 WeakPolarHBondContact OE1-CB 3.44Å; E128-S200 PolarHBondContact OE1-OG 2.93Å
129S95.6Very high94.6Very high19 Ų1938.5 Ų38.513%0.13319%0.187CC..THydrogen-bonded Turntrans-72.4-9.5176.378.40000114.9V68 E125 V126 C127 E131V68-S129 VanDerWaalsContact CG2-OG 3.3Å; V68-S129 WeakPolarHBondContact CG2-OG 3.18Å; E125-S129 WeakPolarHBondContact O-CB 3.41Å; E125-S129 PolarHBondContact O-N 2.98Å; E125-S129 PolarHBondContact O-OG 3.24Å; V126-S129 PolarHBondContact O-N 3.27Å; V126-S129 PolarHBondContact O-OG 3.43Å; C127-S129 VanDerWaalsContact C-N 3.33Å; C127-S129 PolarHBondContact O-N 3.03Å; S129-E131 PolarHBondContact O-N 3.03Å
130A93.9Very high94.8Very high0 Ų037.2 Ų37.20%018%0.18CC..THydrogen-bonded Turntrans-73.2-13.3175.100000112.6V68 F121 V126 C127 E128 D132 T133 V134V68-A130 HydrophobicContact CG1-CB 3.74Å; F121-A130 HydrophobicContact CZ-CB 4.15Å; V126-A130 PolarHBondContact O-N 3.36Å; C127-A130 VanDerWaalsContact O-CB 3.3Å; C127-A130 WeakPolarHBondContact O-CB 3.27Å; C127-A130 PolarHBondContact O-N 3.26Å; E128-A130 PolarHBondContact O-N 3.13Å; A130-D132 PolarHBondContact O-N 3.24Å; A130-T133 WeakPolarHBondContact O-CB 3.14Å; A130-T133 PolarHBondContact O-N 3.5Å; A130-T133 PolarHBondContact O-OG1 2.98Å; A130-V134 HydrophobicContact CB-CB 4.2Å
131E90.1Very high95Very high143 Ų14337.1 Ų37.167%0.66818%0.179SC*.THydrogen-bonded Turntrans47-134.1176.7-59.8-179.7179.200111.8E128 S129 T133 V134E128-E131 PolarHBondContact O-N 3.18Å; S129-E131 PolarHBondContact O-N 3.03Å; E131-T133 PolarHBondContact O-N 3.5Å; E131-V134 VanDerWaalsContact O-CG1 3.26Å; E131-V134 WeakPolarHBondContact O-CG1 3.44Å; E131-V134 PolarHBondContact O-N 3.17Å
132D92.1Very high95.1Very high92 Ų9238.9 Ų38.949%0.49219%0.187SC..THydrogen-bonded Turntrans-67.3-22-179.2-66.7-25.7000112.9A130 V134 L135 Q333A130-D132 PolarHBondContact O-N 3.24Å; D132-V134 PolarHBondContact O-N 3.44Å; D132-L135 WeakPolarHBondContact O-CB 3.39Å; D132-L135 PolarHBondContact O-N 2.93Å; D132-Q333 PolarHBondContact OD1-NE2 2.98Å; D132-Q333 PolarHBondContact OD1-OE1 3.01Å; D132-Q333 PolarHBondContact OD2-NE2 3.39Å
133T96.4Very high95.5Very high22 Ų2236 Ų3614%0.13517%0.173CC..Hα-helixtrans-71.1-11.7-179.470.70000113.3P69 A130 E131 L135 D136 L137 I337P69-T133 HydrophobicContact CB-CG2 3.74Å; P69-T133 HydrophobicContact CG-CG2 4.46Å; A130-T133 WeakPolarHBondContact O-CB 3.14Å; A130-T133 PolarHBondContact O-N 3.5Å; A130-T133 PolarHBondContact O-OG1 2.98Å; E131-T133 PolarHBondContact O-N 3.5Å; T133-L135 PolarHBondContact O-N 3.37Å; T133-D136 WeakPolarHBondContact O-CB 3.3Å; T133-D136 PolarHBondContact O-N 3.37Å; T133-D136 VanDerWaalsContact O-N 3.12Å; T133-L137 PolarHBondContact O-N 3.16Å; T133-I337 HydrophobicContact CG2-CD1 3.91Å
134V96.7Very high95.8Very high8 Ų834.8 Ų34.85%0.04817%0.167CC..Hα-helixtrans-59.7-30.1170.677.50000111.8A130 E131 D132 L137 V138 I194 L201 T205A130-V134 HydrophobicContact CB-CB 4.2Å; E131-V134 VanDerWaalsContact O-CG1 3.26Å; E131-V134 WeakPolarHBondContact O-CG1 3.44Å; E131-V134 PolarHBondContact O-N 3.17Å; D132-V134 PolarHBondContact O-N 3.44Å; V134-L137 PolarHBondContact O-N 3.48Å; V134-V138 WeakPolarHBondContact O-CG2 3.46Å; V134-V138 PolarHBondContact O-N 3.44Å; V134-I194 HydrophobicContact CG2-CD1 4.3Å; V134-I194 HydrophobicContact CG2-CG1 4.38Å; V134-I194 HydrophobicContact CG2-CG2 4.17Å; V134-L201 HydrophobicContact CG2-CD2 4.48Å; V134-T205 HydrophobicContact CG1-CG2 3.86Å; V134-T205 WeakPolarHBondContact CG1-OG1 3.36Å; V134-T205 HydrophobicContact CG2-CG2 4.41Å
135L95.9Very high96.1Very high1 Ų130.4 Ų30.41%0.00515%0.148CC..Hα-helixtrans-62.8-45.5174.8-71.8168.1000111.4D132 T133 L137 V138 D139 T205 R208 Q333 P335D132-L135 WeakPolarHBondContact O-CB 3.39Å; D132-L135 PolarHBondContact O-N 2.93Å; T133-L135 PolarHBondContact O-N 3.37Å; L135-L137 VanDerWaalsContact C-N 3.32Å; L135-V138 PolarHBondContact O-N 3.08Å; L135-D139 PolarHBondContact O-N 3.44Å; L135-D139 VanDerWaalsContact O-N 3.09Å; L135-T205 VanDerWaalsContact CD2-CA 3.49Å; L135-R208 HydrophobicContact CD2-CB 4.21Å; L135-Q333 HydrophobicContact CD1-CB 3.79Å; L135-P335 HydrophobicContact CB-CB 4.02Å; L135-P335 HydrophobicContact CB-CG 4.07Å
136D97.9Very high96.2Very high8 Ų827.8 Ų27.84%0.04314%0.139CC..Hα-helixtrans-65.8-37178-82.2-77.1000111V72 I76 T133 D139 Y140 P335 E336 I337V72-D136 HydrophobicContact CG1-CB 4.23Å; I76-D136 HydrophobicContact CD1-CB 3.54Å; T133-D136 WeakPolarHBondContact O-CB 3.3Å; T133-D136 PolarHBondContact O-N 3.37Å; T133-D136 VanDerWaalsContact O-N 3.12Å; D136-D139 WeakPolarHBondContact O-CB 3.3Å; D136-D139 PolarHBondContact O-N 3.14Å; D136-Y140 PolarHBondContact O-N 2.92Å; D136-P335 HydrophobicContact CB-CB 4.11Å; D136-P335 WeakPolarHBondContact OD1-CB 3.41Å; D136-P335 WeakPolarHBondContact OD2-CA 3.15Å; D136-P335 WeakPolarHBondContact OD2-CB 3.34Å; D136-E336 PolarHBondContact OD1-N 3.15Å; D136-E336 PolarHBondContact OD2-N 3.18Å; D136-E336 VanDerWaalsContact OD2-N 3.08Å; D136-I337 HydrophobicContact CB-CB 4.39Å; D136-I337 HydrophobicContact CB-CD1 3.86Å; D136-I337 HydrophobicContact CB-CG1 4.31Å; D136-I337 WeakPolarHBondContact OD1-CB 3.45Å; D136-I337 PolarHBondContact OD1-N 3.38Å; D136-I337 PolarHBondContact OD2-N 3.37Å
137L98.4Very high96.1Very high0 Ų030.7 Ų30.70%016%0.155CC..Hα-helixtrans-69.7-40.8175.5-174.357.9000112.8V72 L75 L117 F121 T133 V134 L135 D139 Y140 C141 V190 I194V72-L137 HydrophobicContact CG1-CB 4.12Å; V72-L137 HydrophobicContact CG2-CB 4.34Å; V72-L137 HydrophobicContact CG2-CD2 4.22Å; L75-L137 HydrophobicContact CD2-CD1 3.83Å; L117-L137 HydrophobicContact CD1-CD1 4.4Å; F121-L137 HydrophobicContact CE1-CD2 3.68Å; F121-L137 HydrophobicContact CE2-CD2 4.26Å; F121-L137 HydrophobicContact CZ-CD2 3.54Å; T133-L137 PolarHBondContact O-N 3.16Å; V134-L137 PolarHBondContact O-N 3.48Å; L135-L137 VanDerWaalsContact C-N 3.32Å; L137-D139 VanDerWaalsContact C-N 3.27Å; L137-D139 PolarHBondContact O-N 3.06Å; L137-Y140 HydrophobicContact CD1-CD1 4.28Å; L137-Y140 WeakPolarHBondContact O-CB 3.31Å; L137-Y140 PolarHBondContact O-N 3.33Å; L137-C141 PolarHBondContact O-N 3.09Å; L137-C141 PolarHBondContact O-SG 3.02Å; L137-C141 VanDerWaalsContact O-SG 3.4Å; L137-V190 HydrophobicContact CD1-CG1 4.25Å; L137-V190 HydrophobicContact CD2-CG1 3.85Å; L137-V190 HydrophobicContact CG-CG1 4.16Å; L137-I194 HydrophobicContact CD2-CD1 3.94Å; L137-I194 HydrophobicContact CG-CD1 4.02Å
138V98.4Very high96Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-59.1-42.7172.6164.70000110.6V134 L135 C141 H142 I194 T205 M209V134-V138 WeakPolarHBondContact O-CG2 3.46Å; V134-V138 PolarHBondContact O-N 3.44Å; L135-V138 PolarHBondContact O-N 3.08Å; V138-C141 PolarHBondContact O-N 3.25Å; V138-H142 WeakPolarHBondContact O-CB 3.23Å; V138-H142 PolarHBondContact O-N 3.12Å; V138-I194 HydrophobicContact CG2-CD1 4.18Å; V138-I194 HydrophobicContact CG2-CG2 4.15Å; V138-T205 HydrophobicContact CG2-CG2 4.1Å; V138-M209 HydrophobicContact CG1-CG 3.68Å; V138-M209 HydrophobicContact CG2-CG 4.03Å; V138-M209 HydrophobicContact CG2-SD 4.21Å
139D98.3Very high96Very high17 Ų1727 Ų279%0.09114%0.139CC..Hα-helixtrans-61.6-44.5175.7-96.226.2000112.9L135 D136 L137 H142 R143 R208 H213L135-D139 PolarHBondContact O-N 3.44Å; L135-D139 VanDerWaalsContact O-N 3.09Å; D136-D139 WeakPolarHBondContact O-CB 3.3Å; D136-D139 PolarHBondContact O-N 3.14Å; L137-D139 VanDerWaalsContact C-N 3.27Å; L137-D139 PolarHBondContact O-N 3.06Å; D139-H142 PolarHBondContact O-N 3.43Å; D139-R143 WeakPolarHBondContact O-CG 3.43Å; D139-R143 PolarHBondContact O-N 3.25Å; D139-R143 PolarHBondContact O-NH1 3.38Å; D139-R208 IonicContact OD1-CZ 3.99Å; D139-R208 IonicContact OD1-NE 3.31Å; D139-R208 PolarHBondContact OD1-NE 3.3Å; D139-R208 IonicContact OD1-NH2 3.41Å; D139-R208 PolarHBondContact OD1-NH2 3.19Å; D139-R208 IonicContact OD2-CZ 3.99Å; D139-R208 IonicContact OD2-NE 2.69Å; D139-R208 PolarHBondContact OD2-NE 2.85Å; D139-R208 IonicContact OD2-NH2 3.48Å; D139-R208 PolarHBondContact OD2-NH2 3.07Å; D139-H213 IonicContact OD1-CD2 2.71Å; D139-H213 IonicContact OD1-CE1 3.37Å; D139-H213 PolarHBondContact OD1-CE1 3.12Å; D139-H213 IonicContact OD1-NE2 3.71Å; D139-H213 PolarHBondContact OD1-NE2 3.15Å
140Y98.6Very high95.6Very high0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-57.6-53.7173.3172.3-88000110.8L75 I76 E79 E110 I114 D136 L137 H142 R143 K144 I183 A187L75-Y140 HydrophobicContact CD1-CE1 4.38Å; L75-Y140 HydrophobicContact CD1-CE2 4.12Å; L75-Y140 HydrophobicContact CD2-CD1 3.73Å; L75-Y140 HydrophobicContact CD2-CD2 4.04Å; L75-Y140 HydrophobicContact CD2-CE1 3.67Å; L75-Y140 HydrophobicContact CD2-CE2 3.97Å; L75-Y140 HydrophobicContact CD2-CG 3.93Å; L75-Y140 HydrophobicContact CG-CD2 4.08Å; L75-Y140 HydrophobicContact CG-CE1 4.21Å; L75-Y140 HydrophobicContact CG-CE2 3.71Å; L75-Y140 HydrophobicContact CG-CG 4.47Å; I76-Y140 HydrophobicContact CG1-CD2 4.49Å; E79-Y140 HydrophobicContact CB-CD2 4.37Å; E79-Y140 HydrophobicContact CB-CE2 4.1Å; E79-Y140 HydrophobicContact CG-CD2 4.42Å; E79-Y140 HydrophobicContact CG-CE2 4.24Å; E79-Y140 VanDerWaalsContact OE2-CD2 3.28Å; E79-Y140 WeakPolarHBondContact OE2-CD2 3.35Å; E110-Y140 WeakPolarHBondContact CG-OH 3.5Å; E110-Y140 VanDerWaalsContact OE1-CE2 3.29Å; E110-Y140 WeakPolarHBondContact OE1-CE2 3.36Å; E110-Y140 PolarHBondContact OE1-OH 3.47Å; I114-Y140 HydrophobicContact CD1-CD1 4.5Å; I114-Y140 HydrophobicContact CD1-CE1 3.77Å; I114-Y140 HydrophobicContact CG1-CE1 4.37Å; D136-Y140 PolarHBondContact O-N 2.92Å; L137-Y140 HydrophobicContact CD1-CD1 4.28Å; L137-Y140 WeakPolarHBondContact O-CB 3.31Å; L137-Y140 PolarHBondContact O-N 3.33Å; Y140-H142 VanDerWaalsContact C-N 3.33Å; Y140-H142 PolarHBondContact O-N 3.48Å; Y140-R143 PolarHBondContact O-N 2.83Å; Y140-R143 VanDerWaalsContact O-N 3.16Å; Y140-K144 HydrophobicContact CD1-CG 4.29Å; Y140-K144 HydrophobicContact CE1-CG 3.84Å; Y140-K144 HydrophobicContact CE2-CG 4.44Å; Y140-K144 WeakPolarHBondContact O-CG 3.42Å; Y140-K144 PolarHBondContact O-N 3.32Å; Y140-K144 VanDerWaalsContact O-N 3.09Å; Y140-K144 WeakPolarHBondContact OH-CE 3.45Å; Y140-I183 WeakPolarHBondContact OH-CG2 3.37Å; Y140-A187 HydrophobicContact CE1-CB 4.06Å
141C98.6Very high95.1Very high0 Ų032.6 Ų32.60%017%0.17CC..Hα-helixtrans-57.4-45.8178.6-71.80000111.5L137 V138 R143 K144 L145 A187 L191L137-C141 PolarHBondContact O-N 3.09Å; L137-C141 PolarHBondContact O-SG 3.02Å; L137-C141 VanDerWaalsContact O-SG 3.4Å; V138-C141 PolarHBondContact O-N 3.25Å; C141-R143 VanDerWaalsContact C-N 3.34Å; C141-R143 PolarHBondContact O-N 3.28Å; C141-K144 PolarHBondContact O-N 2.84Å; C141-L145 VanDerWaalsContact O-CG 3.31Å; C141-L145 WeakPolarHBondContact O-CG 3.22Å; C141-L145 PolarHBondContact O-N 3.03Å; C141-A187 PolarHBondContact SG-O 3.38Å; C141-L191 HydrophobicContact CB-CB 3.95Å; C141-L191 HydrophobicContact CB-CD1 4Å; C141-L191 HydrophobicContact CB-CD2 4.46Å; C141-L191 HydrophobicContact CB-CG 4.36Å
142H98.4Very high94.2Very high39 Ų3927.7 Ų27.718%0.18115%0.151CC..Hα-helixtrans-57.4-43.8177.3173.6-101.4000112.6V138 D139 Y140 L145 T146 H213 L215V138-H142 WeakPolarHBondContact O-CB 3.23Å; V138-H142 PolarHBondContact O-N 3.12Å; D139-H142 PolarHBondContact O-N 3.43Å; Y140-H142 VanDerWaalsContact C-N 3.33Å; Y140-H142 PolarHBondContact O-N 3.48Å; H142-L145 PolarHBondContact O-N 2.95Å; H142-T146 VanDerWaalsContact O-CB 3.32Å; H142-T146 WeakPolarHBondContact O-CB 3.32Å; H142-T146 PolarHBondContact O-N 3.43Å; H142-T146 PolarHBondContact O-OG1 3.05Å; H142-H213 AromaticContact CD2-CG 3.66Å; H142-H213 AromaticContact CD2-ND1 3.81Å; H142-H213 AromaticContact CE1-ND1 3.4Å; H142-H213 PolarHBondContact CE1-ND1 3.43Å; H142-H213 AromaticContact CG-CD2 3.98Å; H142-H213 AromaticContact CG-CE1 3.92Å; H142-H213 AromaticContact CG-CG 3.55Å; H142-H213 AromaticContact CG-ND1 3.53Å; H142-H213 AromaticContact ND1-CE1 3.56Å; H142-H213 AromaticContact ND1-CG 3.83Å; H142-H213 AromaticContact ND1-ND1 3.28Å; H142-H213 PolarHBondContact ND1-ND1 2.93Å; H142-H213 AromaticContact NE2-CG 3.99Å; H142-H213 AromaticContact NE2-ND1 3.74Å; H142-L215 HydrophobicContact CB-CD2 4.41Å
143R97.7Very high92.6Very high64 Ų6426.3 Ų26.324%0.24216%0.158CC..Hα-helixtrans-61.8-44176.2-73.9-173.3-65.2-84.74.2111.8E79 D139 Y140 C141 T146 L147E79-R143 IonicContact OE1-CZ 2.67Å; E79-R143 IonicContact OE1-NE 3.49Å; E79-R143 PolarHBondContact OE1-NE 3.33Å; E79-R143 IonicContact OE1-NH2 3.46Å; E79-R143 IonicContact OE2-CZ 3.74Å; E79-R143 IonicContact OE2-NE 3.95Å; E79-R143 PolarHBondContact OE2-NE 3.42Å; E79-R143 IonicContact OE2-NH2 2.67Å; E79-R143 PolarHBondContact OE2-NH2 2.96Å; D139-R143 WeakPolarHBondContact O-CG 3.43Å; D139-R143 PolarHBondContact O-N 3.25Å; D139-R143 PolarHBondContact O-NH1 3.38Å; Y140-R143 PolarHBondContact O-N 2.83Å; Y140-R143 VanDerWaalsContact O-N 3.16Å; C141-R143 VanDerWaalsContact C-N 3.34Å; C141-R143 PolarHBondContact O-N 3.28Å; R143-T146 PolarHBondContact O-N 3.49Å; R143-L147 PolarHBondContact O-N 2.92Å
144K97.6Very high90.6Very high5 Ų530.6 Ų30.62%0.02219%0.188CC..Hα-helixtrans-64.1-45.5178.3-64.6-50.4-175.8-174.20112.9E110 Y140 C141 L147 L148 E180 I183 A184 A187E110-K144 WeakPolarHBondContact OE1-CE 3.32Å; E110-K144 IonicContact OE1-NZ 2.8Å; E110-K144 PolarHBondContact OE1-NZ 2.99Å; Y140-K144 HydrophobicContact CD1-CG 4.29Å; Y140-K144 HydrophobicContact CE1-CG 3.84Å; Y140-K144 HydrophobicContact CE2-CG 4.44Å; Y140-K144 WeakPolarHBondContact O-CG 3.42Å; Y140-K144 PolarHBondContact O-N 3.32Å; Y140-K144 VanDerWaalsContact O-N 3.09Å; Y140-K144 WeakPolarHBondContact OH-CE 3.45Å; C141-K144 PolarHBondContact O-N 2.84Å; K144-L147 WeakPolarHBondContact O-CB 3.37Å; K144-L147 PolarHBondContact O-N 3.24Å; K144-L148 PolarHBondContact O-N 2.88Å; K144-L148 VanDerWaalsContact O-N 3.07Å; K144-E180 IonicContact NZ-OE1 3.43Å; K144-E180 PolarHBondContact NZ-OE1 3.44Å; K144-E180 IonicContact NZ-OE2 3.91Å; K144-I183 HydrophobicContact CD-CG2 4.3Å; K144-A184 HydrophobicContact CB-CB 3.85Å; K144-A187 HydrophobicContact CB-CB 3.84Å; K144-A187 HydrophobicContact CG-CB 3.97Å
145L97.5Very high88.3Confident0 Ų032.8 Ų32.80%021%0.213CC..Hα-helixtrans-67.7-38.2178.9-65-169.6000112.1C141 H142 L147 L148 V149 L188 L191 L218 L222C141-L145 VanDerWaalsContact O-CG 3.31Å; C141-L145 WeakPolarHBondContact O-CG 3.22Å; C141-L145 PolarHBondContact O-N 3.03Å; H142-L145 PolarHBondContact O-N 2.95Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 3.32Å; L145-L148 HydrophobicContact CD2-CD1 4Å; L145-L148 WeakPolarHBondContact O-CB 3.32Å; L145-L148 PolarHBondContact O-N 2.95Å; L145-L148 VanDerWaalsContact O-N 3.15Å; L145-V149 PolarHBondContact O-N 3.39Å; L145-L188 HydrophobicContact CD1-CD1 3.99Å; L145-L188 HydrophobicContact CD2-CB 3.71Å; L145-L188 HydrophobicContact CD2-CD1 4.1Å; L145-L188 HydrophobicContact CD2-CG 4.44Å; L145-L191 HydrophobicContact CD1-CD2 3.38Å; L145-L218 HydrophobicContact CB-CD2 3.8Å; L145-L218 HydrophobicContact CB-CG 4.37Å; L145-L218 HydrophobicContact CD1-CD2 4.47Å; L145-L222 HydrophobicContact CB-CD1 4.22Å; L145-L222 HydrophobicContact CD1-CD1 4.02Å; L145-L222 HydrophobicContact CD2-CD1 4.13Å; L145-L222 HydrophobicContact CG-CD1 4.34Å
146T95.8Very high86.1Confident58 Ų5835.6 Ų35.636%0.35624%0.241SC..Hα-helixtrans-59.7-40.7172.4-58.20000111.3H142 R143 L148 V149 A150H142-T146 VanDerWaalsContact O-CB 3.32Å; H142-T146 WeakPolarHBondContact O-CB 3.32Å; H142-T146 PolarHBondContact O-N 3.43Å; H142-T146 PolarHBondContact O-OG1 3.05Å; R143-T146 PolarHBondContact O-N 3.49Å; T146-L148 VanDerWaalsContact C-N 3.34Å; T146-L148 PolarHBondContact O-N 3.28Å; T146-V149 PolarHBondContact O-N 2.54Å; T146-A150 WeakPolarHBondContact O-CB 3.42Å; T146-A150 PolarHBondContact O-N 3.27Å
147L93.4Very high83.7Confident62 Ų6238.7 Ų38.733%0.32526%0.262SS..Hα-helixtrans-62.1-40.3175178.866.5000111.9R143 K144 L145 A150 R151 E180R143-L147 PolarHBondContact O-N 2.92Å; K144-L147 WeakPolarHBondContact O-CB 3.37Å; K144-L147 PolarHBondContact O-N 3.24Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 3.32Å; L147-A150 PolarHBondContact O-N 3.46Å; L147-R151 HydrophobicContact CD1-CG 4.43Å; L147-R151 WeakPolarHBondContact O-CG 3.38Å; L147-R151 PolarHBondContact O-N 3.43Å; L147-E180 HydrophobicContact CD2-CG 4.33Å; L147-E180 WeakPolarHBondContact CD2-OE2 3.36Å
148L92.3Very high81.1Confident1 Ų144 Ų441%0.00530%0.296CS..Hα-helixtrans-61.6-48.1175.7-71.7178.1000111.9K144 L145 T146 A150 R151 S152 F181 A184 L185 L222 P227K144-L148 PolarHBondContact O-N 2.88Å; K144-L148 VanDerWaalsContact O-N 3.07Å; L145-L148 HydrophobicContact CD2-CD1 4Å; L145-L148 WeakPolarHBondContact O-CB 3.32Å; L145-L148 PolarHBondContact O-N 2.95Å; L145-L148 VanDerWaalsContact O-N 3.15Å; T146-L148 VanDerWaalsContact C-N 3.34Å; T146-L148 PolarHBondContact O-N 3.28Å; L148-A150 VanDerWaalsContact C-N 3.33Å; L148-A150 PolarHBondContact O-N 3.43Å; L148-R151 PolarHBondContact O-N 3.14Å; L148-S152 PolarHBondContact O-N 2.91Å; L148-S152 VanDerWaalsContact O-N 3.15Å; L148-S152 PolarHBondContact O-OG 3.31Å; L148-F181 HydrophobicContact CD2-CD2 3.51Å; L148-F181 HydrophobicContact CD2-CE2 3.68Å; L148-A184 HydrophobicContact CD1-CB 3.69Å; L148-A184 HydrophobicContact CD2-CB 3.76Å; L148-A184 HydrophobicContact CG-CB 3.54Å; L148-L185 HydrophobicContact CD1-CD2 4.04Å; L148-L222 HydrophobicContact CB-CD2 4.07Å; L148-P227 HydrophobicContact CB-CB 4.41Å; L148-P227 HydrophobicContact CB-CG 4.05Å
149V92Very high78.7Confident27 Ų2749.2 Ų49.216%0.16432%0.321CS..Hα-helixtrans-60.3-44.3177.3174.70000110.8L145 T146 R151 S152 L218 E221 L222L145-V149 PolarHBondContact O-N 3.39Å; T146-V149 PolarHBondContact O-N 2.54Å; V149-R151 VanDerWaalsContact C-N 3.32Å; V149-R151 PolarHBondContact O-N 3.21Å; V149-S152 PolarHBondContact O-N 2.77Å; V149-L218 HydrophobicContact CG2-CD1 3.82Å; V149-E221 HydrophobicContact CG1-CB 4.15Å; V149-E221 HydrophobicContact CG2-CB 4.26Å; V149-L222 HydrophobicContact CG2-CD2 3.55Å; V149-L222 HydrophobicContact CG2-CG 3.77Å
150A88.8Confident76.1Confident60 Ų6050.8 Ų50.850%0.49634%0.341SS..Hα-helixtrans-61.5-39178.200000112.6T146 L147 L148 G153T146-A150 WeakPolarHBondContact O-CB 3.42Å; T146-A150 PolarHBondContact O-N 3.27Å; L147-A150 PolarHBondContact O-N 3.46Å; L148-A150 VanDerWaalsContact C-N 3.33Å; L148-A150 PolarHBondContact O-N 3.43Å; A150-G153 PolarHBondContact O-N 2.97Å
151R82.1Confident73.2Confident78 Ų7859.7 Ų59.729%0.29438%0.382SS..Hα-helixtrans-67.5-35.5178.3-76.2178.6179-164.2-0.3112.7L147 L148 V149 G153 C154 E177L147-R151 HydrophobicContact CD1-CG 4.43Å; L147-R151 WeakPolarHBondContact O-CG 3.38Å; L147-R151 PolarHBondContact O-N 3.43Å; L148-R151 PolarHBondContact O-N 3.14Å; V149-R151 VanDerWaalsContact C-N 3.32Å; V149-R151 PolarHBondContact O-N 3.21Å; R151-G153 PolarHBondContact O-N 3.41Å; R151-C154 PolarHBondContact O-N 3.42Å; R151-C154 VanDerWaalsContact O-N 3.1Å; R151-E177 PolarHBondContact NH1-O 2.96Å
152S71.4Confident70.6Confident39 Ų3963 Ų6327%0.27342%0.417SS..Hα-helixtrans-60.6-26.4177.2-62.20000113.6L148 V149 P227L148-S152 PolarHBondContact O-N 2.91Å; L148-S152 VanDerWaalsContact O-N 3.15Å; L148-S152 PolarHBondContact O-OG 3.31Å; V149-S152 PolarHBondContact O-N 2.77Å; S152-P227 WeakPolarHBondContact OG-CB 3.29Å
153G58.8Low67.9Low63 Ų6365 Ų6565%0.64944%0.435SS*.THydrogen-bonded Turntrans-80.4-17.2176.600000115.1A150 R151A150-G153 PolarHBondContact O-N 2.97Å; R151-G153 PolarHBondContact O-N 3.41Å
154C53.4Low65.8Low113 Ų11371.1 Ų71.176%0.76447%0.467SS*.SBendtrans-99.44.5-170.4-710000115R151R151-C154 PolarHBondContact O-N 3.42Å; R151-C154 VanDerWaalsContact O-N 3.1Å
155G49.5Very low63.7Low54 Ų5478.3 Ų78.356%0.55751%0.505SS*.  trans74.3140.4-165.100000109.8
156G49.6Very low62.2Low59 Ų5980.9 Ų80.961%0.60852%0.523SS*.SBendtrans-54.1164.1-174.200000113.4
157P47.6Very low61.5Low73 Ų7381.6 Ų81.647%0.47453%0.525SS..  trans-50.7134.817820.5-30.8000109.5E159P157-E159 PolarHBondContact O-N 3.38Å
158P42.7Very low61Low111 Ų11182 Ų8272%0.72153%0.531SS*.  trans-57.4112.2179.321.3-29.8000107.7G160P158-G160 PolarHBondContact O-N 2.86Å
159E48Very low60.7Low110 Ų11082.6 Ų82.651%0.51453%0.534SS..  trans-54.5134166.9-67.8-162.4159.900107P157 E161 R230P157-E159 PolarHBondContact O-N 3.38Å; E159-E161 VanDerWaalsContact C-N 3.27Å; E159-E161 PolarHBondContact O-N 3.45Å; E159-R230 IonicContact OE1-CZ 3.61Å; E159-R230 VanDerWaalsContact OE1-CZ 3.24Å; E159-R230 IonicContact OE1-NH1 3.75Å; E159-R230 PolarHBondContact OE1-NH1 2.94Å; E159-R230 IonicContact OE1-NH2 3.89Å; E159-R230 PolarHBondContact OE1-NH2 3.5Å
160G44.5Very low60.4Low50 Ų5085.8 Ų85.852%0.51555%0.547SS..  trans-60.490-176.300000111.1P158 G162 K174P158-G160 PolarHBondContact O-N 2.86Å; G160-G162 VanDerWaalsContact C-N 3.28Å; G160-G162 PolarHBondContact O-N 3.36Å; G160-K174 VanDerWaalsContact CA-NZ 3.32Å
161E37.9Very low60.3Low187 Ų18786.5 Ų86.587%0.87454%0.54SS*.  trans-60.8104.1145-70.1-167.1165.900105.1E159 S163E159-E161 VanDerWaalsContact C-N 3.27Å; E159-E161 PolarHBondContact O-N 3.45Å; E161-S163 VanDerWaalsContact C-N 3.3Å; E161-S163 PolarHBondContact O-N 2.89Å
162G42.7Very low60.5Low70 Ų7082.8 Ų82.872%0.72253%0.526SS*.  trans-60.192.1-177.900000110.5G160 Q164G160-G162 VanDerWaalsContact C-N 3.28Å; G160-G162 PolarHBondContact O-N 3.36Å; G162-Q164 PolarHBondContact O-N 3.09Å
163S43.5Very low61.4Low81 Ų8184.3 Ų84.357%0.56653%0.529SS*.  trans-63.1109.8152.860.20000106.4E161 D165E161-S163 VanDerWaalsContact C-N 3.3Å; E161-S163 PolarHBondContact O-N 2.89Å; S163-D165 PolarHBondContact O-N 3.16Å
164Q52.3Low62.7Low193 Ų19384.9 Ų84.990%0.90251%0.514SS*.THydrogen-bonded Turntrans-65.70.6-178.8-72.5-177.4-2200113.5G162G162-Q164 PolarHBondContact O-N 3.09Å
165D53.6Low64.2Low155 Ų15583 Ų8383%0.82949%0.494SS*.THydrogen-bonded Turntrans-120.134.4-177.1-66.4-34.9000113.6S163S163-D165 PolarHBondContact O-N 3.16Å
166S65.8Low66.1Low55 Ų5581 Ų8139%0.38547%0.472SS..  trans-75.6128.7169.850.80000110.8
167N81.1Confident67.9Low73 Ų7383.5 Ų83.539%0.3947%0.468SS..  trans-74.3158.4174.774.346.5000110.8M169 Q170 E171N167-M169 PolarHBondContact O-N 3.06Å; N167-M169 VanDerWaalsContact O-N 3.11Å; N167-M169 WeakPolarHBondContact OD1-CA 3.3Å; N167-M169 WeakPolarHBondContact OD1-CB 3.34Å; N167-M169 PolarHBondContact OD1-N 3.31Å; N167-M169 VanDerWaalsContact OD1-N 3.08Å; N167-Q170 VanDerWaalsContact ND2-CD 3.3Å; N167-Q170 PolarHBondContact ND2-OE1 2.68Å; N167-Q170 WeakPolarHBondContact O-CB 3.08Å; N167-Q170 PolarHBondContact O-N 3.4Å; N167-Q170 WeakPolarHBondContact OD1-CG 3.33Å; N167-Q170 PolarHBondContact OD1-N 2.64Å; N167-E171 PolarHBondContact O-N 3.25Å; N167-E171 VanDerWaalsContact O-N 3.11Å
168P84.3Confident69.7Low70 Ų7084.6 Ų84.646%0.45547%0.469SS..Hα-helixtrans-55.3-33.6-176.9-28.635.6000114.6T100 L172T100-P168 HydrophobicContact CG2-CB 3.86Å; P168-L172 PolarHBondContact O-N 3.18Å
169M85.9Confident71.9Confident14 Ų1480.2 Ų80.27%0.06944%0.439CS..Hα-helixtrans-72.5-35.8178.2-74.2-60.4-60.600112.6F86 C90 F95 P97 T100 I103 N167 L172 Q173F86-M169 HydrophobicContact CE2-CE 4.33Å; C90-M169 HydrophobicContact CB-CE 4.21Å; C90-M169 WeakPolarHBondContact SG-CE 3.44Å; F95-M169 HydrophobicContact CE1-SD 4.45Å; P97-M169 HydrophobicContact CG-CG 4.14Å; P97-M169 HydrophobicContact CG-SD 3.74Å; T100-M169 HydrophobicContact CG2-SD 3.86Å; I103-M169 HydrophobicContact CD1-CE 4.35Å; I103-M169 HydrophobicContact CD1-SD 3.98Å; N167-M169 PolarHBondContact O-N 3.06Å; N167-M169 VanDerWaalsContact O-N 3.11Å; N167-M169 WeakPolarHBondContact OD1-CA 3.3Å; N167-M169 WeakPolarHBondContact OD1-CB 3.34Å; N167-M169 PolarHBondContact OD1-N 3.31Å; N167-M169 VanDerWaalsContact OD1-N 3.08Å; M169-L172 HydrophobicContact CE-CD2 4.29Å; M169-L172 PolarHBondContact O-N 3.42Å; M169-L172 HydrophobicContact SD-CD2 4.24Å; M169-Q173 WeakPolarHBondContact O-CG 3.34Å; M169-Q173 PolarHBondContact O-N 2.97Å
170Q85.2Confident74.1Confident93 Ų9375.9 Ų75.944%0.43542%0.419SS..Hα-helixtrans-66.8-40.3174.2-74.6169.7-24.300111.3N167 L172 Q173 K174N167-Q170 VanDerWaalsContact ND2-CD 3.3Å; N167-Q170 PolarHBondContact ND2-OE1 2.68Å; N167-Q170 WeakPolarHBondContact O-CB 3.08Å; N167-Q170 PolarHBondContact O-N 3.4Å; N167-Q170 WeakPolarHBondContact OD1-CG 3.33Å; N167-Q170 PolarHBondContact OD1-N 2.64Å; Q170-L172 VanDerWaalsContact C-N 3.34Å; Q170-Q173 PolarHBondContact O-N 3.16Å; Q170-K174 PolarHBondContact O-N 2.66Å
171E85.7Confident76.3Confident75 Ų7574.8 Ų74.835%0.3540%0.4SS..Hα-helixtrans-63.7-42.3174-173.557.8-152.300111N167 Q173 K174 Q175N167-E171 PolarHBondContact O-N 3.25Å; N167-E171 VanDerWaalsContact O-N 3.11Å; E171-Q173 VanDerWaalsContact C-N 3.32Å; E171-Q173 PolarHBondContact O-N 3.4Å; E171-K174 WeakPolarHBondContact O-CB 2.9Å; E171-K174 PolarHBondContact O-N 2.93Å; E171-Q175 WeakPolarHBondContact O-CG 3.48Å; E171-Q175 PolarHBondContact O-N 3.18Å
172L87.6Confident78.9Confident1 Ų168.7 Ų68.71%0.00537%0.372CS..Hα-helixtrans-59.7-41.5174.2179.566.9000112.3F86 T100 I103 Y104 P168 M169 Q170 K174 Q175 A176F86-L172 HydrophobicContact CE2-CD2 3.68Å; F86-L172 HydrophobicContact CE2-CG 4.26Å; F86-L172 HydrophobicContact CZ-CD2 3.95Å; F86-L172 HydrophobicContact CZ-CG 4.02Å; T100-L172 HydrophobicContact CG2-CB 4.41Å; T100-L172 HydrophobicContact CG2-CD2 4.35Å; I103-L172 HydrophobicContact CB-CD2 3.75Å; I103-L172 HydrophobicContact CD1-CD2 4.42Å; I103-L172 HydrophobicContact CG2-CD2 3.58Å; Y104-L172 HydrophobicContact CD2-CD1 3.97Å; Y104-L172 HydrophobicContact CG-CD1 4.34Å; P168-L172 PolarHBondContact O-N 3.18Å; M169-L172 HydrophobicContact CE-CD2 4.29Å; M169-L172 PolarHBondContact O-N 3.42Å; M169-L172 HydrophobicContact SD-CD2 4.24Å; Q170-L172 VanDerWaalsContact C-N 3.34Å; L172-K174 VanDerWaalsContact C-N 3.34Å; L172-Q175 PolarHBondContact O-N 2.78Å; L172-A176 WeakPolarHBondContact O-CB 3.23Å; L172-A176 PolarHBondContact O-N 3.38Å
173Q89Confident81.4Confident70 Ų7065.4 Ų65.433%0.32734%0.338SS..Hα-helixtrans-61.1-44.2175.6-74.6175.1-4800111.5F86 C90 M169 Q170 E171 Q175 A176 E177F86-Q173 HydrophobicContact CE1-CG 4.21Å; F86-Q173 HydrophobicContact CZ-CG 4.12Å; C90-Q173 VanDerWaalsContact CB-NE2 3.29Å; C90-Q173 PolarHBondContact SG-NE2 3.2Å; M169-Q173 WeakPolarHBondContact O-CG 3.34Å; M169-Q173 PolarHBondContact O-N 2.97Å; Q170-Q173 PolarHBondContact O-N 3.16Å; E171-Q173 VanDerWaalsContact C-N 3.32Å; E171-Q173 PolarHBondContact O-N 3.4Å; Q173-Q175 PolarHBondContact O-N 3.28Å; Q173-A176 WeakPolarHBondContact O-CB 3.34Å; Q173-A176 PolarHBondContact O-N 2.86Å; Q173-E177 WeakPolarHBondContact O-CG 3.25Å; Q173-E177 PolarHBondContact O-N 3.4Å
174K86.4Confident84Confident76 Ų7661.6 Ų61.633%0.3331%0.311SS..Hα-helixtrans-62-42.8176.4-170.5-179.3-178.4-179.20111.9G160 Q170 E171 L172 E177 L178G160-K174 VanDerWaalsContact CA-NZ 3.32Å; Q170-K174 PolarHBondContact O-N 2.66Å; E171-K174 WeakPolarHBondContact O-CB 2.9Å; E171-K174 PolarHBondContact O-N 2.93Å; L172-K174 VanDerWaalsContact C-N 3.34Å; K174-E177 PolarHBondContact O-N 3.28Å; K174-L178 WeakPolarHBondContact O-CG 3.13Å; K174-L178 PolarHBondContact O-N 3.34Å
175Q85.6Confident86Confident74 Ų7453 Ų5335%0.34627%0.271SS..Hα-helixtrans-61.5-43.1174.1-71.8179-20.200111.9E171 L172 Q173 E177 L178 M179E171-Q175 WeakPolarHBondContact O-CG 3.48Å; E171-Q175 PolarHBondContact O-N 3.18Å; L172-Q175 PolarHBondContact O-N 2.78Å; Q173-Q175 PolarHBondContact O-N 3.28Å; Q175-E177 VanDerWaalsContact C-N 3.31Å; Q175-E177 PolarHBondContact O-N 2.79Å; Q175-L178 PolarHBondContact O-N 2.6Å; Q175-M179 WeakPolarHBondContact O-CB 3.37Å; Q175-M179 PolarHBondContact O-N 2.88Å
176A88.9Confident88.1Confident12 Ų1247.7 Ų47.710%0.09924%0.241CC..Hα-helixtrans-62.4-37.7176.500000112.3F86 V107 L172 Q173 E180F86-A176 HydrophobicContact CE1-CB 4.17Å; V107-A176 HydrophobicContact CG1-CB 3.72Å; L172-A176 WeakPolarHBondContact O-CB 3.23Å; L172-A176 PolarHBondContact O-N 3.38Å; Q173-A176 WeakPolarHBondContact O-CB 3.34Å; Q173-A176 PolarHBondContact O-N 2.86Å; A176-E180 PolarHBondContact O-N 3.05Å
177E87.6Confident89.6Confident111 Ų11145.1 Ų45.152%0.51922%0.222SC..Hα-helixtrans-68.3-39.4177.2-75.4174.9-17500113.3R151 Q173 K174 Q175 E180R151-E177 PolarHBondContact NH1-O 2.96Å; Q173-E177 WeakPolarHBondContact O-CG 3.25Å; Q173-E177 PolarHBondContact O-N 3.4Å; K174-E177 PolarHBondContact O-N 3.28Å; Q175-E177 VanDerWaalsContact C-N 3.31Å; Q175-E177 PolarHBondContact O-N 2.79Å; E177-E180 WeakPolarHBondContact O-CB 3.4Å; E177-E180 PolarHBondContact O-N 2.82Å
178L84.9Confident90.4Very high95 Ų9541.6 Ų41.650%0.49720%0.204SC..Hα-helixtrans-65.1-46.3173.5-70.5173.8000110.7K174 Q175 E180 F181K174-L178 WeakPolarHBondContact O-CG 3.13Å; K174-L178 PolarHBondContact O-N 3.34Å; Q175-L178 PolarHBondContact O-N 2.6Å; L178-E180 VanDerWaalsContact C-N 3.28Å; L178-E180 PolarHBondContact O-N 3.02Å; L178-F181 VanDerWaalsContact O-CB 3.3Å; L178-F181 WeakPolarHBondContact O-CB 3.45Å; L178-F181 PolarHBondContact O-N 3.11Å; L178-F181 VanDerWaalsContact O-N 3.08Å
179M89.8Confident91Very high19 Ų1938.5 Ų38.59%0.09418%0.183CC..Hα-helixtrans-62.7-35.2177.5-168.9-175.2-63.700112.2Y104 V107 H108 A111 Q175 F181 E182 I183Y104-M179 HydrophobicContact CE2-CE 3.71Å; V107-M179 HydrophobicContact CG1-CE 4.41Å; V107-M179 HydrophobicContact CG1-SD 3.92Å; H108-M179 VanDerWaalsContact CA-SD 3.59Å; H108-M179 HydrophobicContact CB-CE 4.13Å; H108-M179 HydrophobicContact CB-SD 4.4Å; A111-M179 HydrophobicContact CB-CG 4.02Å; A111-M179 HydrophobicContact CB-SD 3.9Å; Q175-M179 WeakPolarHBondContact O-CB 3.37Å; Q175-M179 PolarHBondContact O-N 2.88Å; M179-F181 PolarHBondContact O-N 3.11Å; M179-E182 PolarHBondContact O-N 3.38Å; M179-E182 VanDerWaalsContact O-N 3.17Å; M179-I183 HydrophobicContact CG-CD1 3.89Å; M179-I183 HydrophobicContact CG-CG1 4.31Å; M179-I183 WeakPolarHBondContact O-CB 3.15Å; M179-I183 VanDerWaalsContact O-CG1 3.32Å; M179-I183 WeakPolarHBondContact O-CG1 3.06Å; M179-I183 PolarHBondContact O-N 3.44Å; M179-I183 HydrophobicContact SD-CD1 4.33Å
180E93.3Very high91.6Very high20 Ų2037.8 Ų37.89%0.09318%0.18CC..Hα-helixtrans-55.5-38.1173.5-111.2-53.7135.600112.6K82 K144 L147 A176 E177 L178 A184K82-E180 IonicContact NZ-OE1 3.57Å; K82-E180 PolarHBondContact NZ-OE1 3.08Å; K144-E180 IonicContact NZ-OE1 3.43Å; K144-E180 PolarHBondContact NZ-OE1 3.44Å; K144-E180 IonicContact NZ-OE2 3.91Å; L147-E180 HydrophobicContact CD2-CG 4.33Å; L147-E180 WeakPolarHBondContact CD2-OE2 3.36Å; A176-E180 PolarHBondContact O-N 3.05Å; E177-E180 WeakPolarHBondContact O-CB 3.4Å; E177-E180 PolarHBondContact O-N 2.82Å; L178-E180 VanDerWaalsContact C-N 3.28Å; L178-E180 PolarHBondContact O-N 3.02Å; E180-A184 WeakPolarHBondContact O-CB 3.49Å; E180-A184 PolarHBondContact O-N 2.77Å
181F91.9Very high92.3Very high27 Ų2733.4 Ų33.412%0.11816%0.16CC..Hα-helixtrans-62.7-48.6178-176-108.4000110.8L148 L178 M179 A184 L185 P227 F239 W244L148-F181 HydrophobicContact CD2-CD2 3.51Å; L148-F181 HydrophobicContact CD2-CE2 3.68Å; L178-F181 VanDerWaalsContact O-CB 3.3Å; L178-F181 WeakPolarHBondContact O-CB 3.45Å; L178-F181 PolarHBondContact O-N 3.11Å; L178-F181 VanDerWaalsContact O-N 3.08Å; M179-F181 PolarHBondContact O-N 3.11Å; F181-A184 PolarHBondContact O-N 3.44Å; F181-L185 HydrophobicContact CD1-CD1 4.17Å; F181-L185 HydrophobicContact CE1-CD1 3.76Å; F181-L185 HydrophobicContact CE1-CG 4.41Å; F181-L185 HydrophobicContact CZ-CD1 4.21Å; F181-L185 HydrophobicContact CZ-CD2 4.43Å; F181-L185 WeakPolarHBondContact O-CG 3.29Å; F181-L185 PolarHBondContact O-N 3.27Å; F181-L185 VanDerWaalsContact O-N 3.11Å; F181-P227 HydrophobicContact CE2-CB 4.2Å; F181-P227 WeakPolarHBondContact CZ-O 3.41Å; F181-F239 HydrophobicContact CD1-CD1 4.29Å; F181-F239 HydrophobicContact CD1-CE1 4.1Å; F181-F239 HydrophobicContact CD1-CE2 4.38Å; F181-F239 HydrophobicContact CD1-CG 4.49Å; F181-F239 HydrophobicContact CD1-CZ 4.12Å; F181-F239 HydrophobicContact CE1-CB 4.16Å; F181-F239 AromaticContact CE1-CD1 3.69Å; F181-F239 HydrophobicContact CE1-CD1 3.69Å; F181-F239 HydrophobicContact CE1-CD2 4.01Å; F181-F239 AromaticContact CE1-CE1 3.97Å; F181-F239 HydrophobicContact CE1-CE1 3.97Å; F181-F239 HydrophobicContact CE1-CE2 4.28Å; F181-F239 AromaticContact CE1-CG 3.68Å; F181-F239 HydrophobicContact CE1-CG 3.68Å; F181-F239 HydrophobicContact CE1-CZ 4.24Å; F181-W244 HydrophobicContact CE1-CZ2 4.17Å; F181-W244 HydrophobicContact CZ-CH2 4.45Å; F181-W244 HydrophobicContact CZ-CZ2 4.18Å
182E92.1Very high92.8Very high59 Ų5931.5 Ų31.528%0.27615%0.149SC..Hα-helixtrans-63.4-45.2178.2-65.2-175.5-131.300112.1M179 A184 L185 K186 F239 S242M179-E182 PolarHBondContact O-N 3.38Å; M179-E182 VanDerWaalsContact O-N 3.17Å; E182-A184 PolarHBondContact O-N 2.95Å; E182-L185 PolarHBondContact O-N 3.37Å; E182-L185 VanDerWaalsContact O-N 3.12Å; E182-K186 WeakPolarHBondContact O-CG 3.32Å; E182-K186 PolarHBondContact O-N 3.34Å; E182-F239 HydrophobicContact CG-CE1 3.97Å; E182-F239 HydrophobicContact CG-CZ 3.78Å; E182-S242 VanDerWaalsContact OE2-CB 3.24Å; E182-S242 WeakPolarHBondContact OE2-CB 3.46Å; E182-S242 PolarHBondContact OE2-OG 3.11Å
183I95.8Very high93.3Very high1 Ų132.7 Ų32.71%0.00515%0.154CC..Hα-helixtrans-53.5-45174.9-73.7166.9000110.7E110 A111 I114 Y140 K144 M179 L185 K186 A187E110-I183 HydrophobicContact CB-CD1 4.01Å; E110-I183 HydrophobicContact CG-CD1 4.06Å; E110-I183 HydrophobicContact CG-CG2 4.32Å; A111-I183 HydrophobicContact CB-CD1 4.18Å; A111-I183 HydrophobicContact CB-CG1 3.94Å; I114-I183 HydrophobicContact CG2-CB 4.45Å; I114-I183 HydrophobicContact CG2-CG1 4.23Å; I114-I183 HydrophobicContact CG2-CG2 4.27Å; Y140-I183 WeakPolarHBondContact OH-CG2 3.37Å; K144-I183 HydrophobicContact CD-CG2 4.3Å; M179-I183 HydrophobicContact CG-CD1 3.89Å; M179-I183 HydrophobicContact CG-CG1 4.31Å; M179-I183 WeakPolarHBondContact O-CB 3.15Å; M179-I183 VanDerWaalsContact O-CG1 3.32Å; M179-I183 WeakPolarHBondContact O-CG1 3.06Å; M179-I183 PolarHBondContact O-N 3.44Å; M179-I183 HydrophobicContact SD-CD1 4.33Å; I183-L185 PolarHBondContact O-N 3.4Å; I183-K186 PolarHBondContact O-N 3.26Å; I183-A187 WeakPolarHBondContact O-CB 2.79Å; I183-A187 PolarHBondContact O-N 2.94Å
184A96.9Very high93.7Very high0 Ų029.4 Ų29.40%014%0.138CC..Hα-helixtrans-69.7-32.3-178.800000113.3K144 L148 E180 F181 E182 A187 L188K144-A184 HydrophobicContact CB-CB 3.85Å; L148-A184 HydrophobicContact CD1-CB 3.69Å; L148-A184 HydrophobicContact CD2-CB 3.76Å; L148-A184 HydrophobicContact CG-CB 3.54Å; E180-A184 WeakPolarHBondContact O-CB 3.49Å; E180-A184 PolarHBondContact O-N 2.77Å; F181-A184 PolarHBondContact O-N 3.44Å; E182-A184 PolarHBondContact O-N 2.95Å; A184-A187 PolarHBondContact O-N 2.85Å; A184-L188 PolarHBondContact O-N 2.97Å; A184-L188 VanDerWaalsContact O-N 3.1Å
185L95.3Very high94.2Very high12 Ų1225.9 Ų25.96%0.06312%0.123CC..Hα-helixtrans-65.9-38.8171.4-62-178.1000111.6L148 F181 E182 I183 L188 S189 W228 F239 L258L148-L185 HydrophobicContact CD1-CD2 4.04Å; F181-L185 HydrophobicContact CD1-CD1 4.17Å; F181-L185 HydrophobicContact CE1-CD1 3.76Å; F181-L185 HydrophobicContact CE1-CG 4.41Å; F181-L185 HydrophobicContact CZ-CD1 4.21Å; F181-L185 HydrophobicContact CZ-CD2 4.43Å; F181-L185 WeakPolarHBondContact O-CG 3.29Å; F181-L185 PolarHBondContact O-N 3.27Å; F181-L185 VanDerWaalsContact O-N 3.11Å; E182-L185 PolarHBondContact O-N 3.37Å; E182-L185 VanDerWaalsContact O-N 3.12Å; I183-L185 PolarHBondContact O-N 3.4Å; L185-L188 VanDerWaalsContact O-CB 3.28Å; L185-L188 WeakPolarHBondContact O-CB 3.42Å; L185-L188 PolarHBondContact O-N 3.12Å; L185-S189 PolarHBondContact O-N 3.14Å; L185-W228 HydrophobicContact CD2-CE3 3.67Å; L185-W228 HydrophobicContact CD2-CZ3 4.27Å; L185-F239 HydrophobicContact CD1-CD1 3.44Å; L185-F239 VanDerWaalsContact CD1-CD1 3.44Å; L185-F239 HydrophobicContact CD1-CE1 3.71Å; L185-L258 HydrophobicContact CB-CD2 4.24Å; L185-L258 HydrophobicContact CD1-CD1 4.05Å; L185-L258 HydrophobicContact CD2-CD1 4.05Å; L185-L258 HydrophobicContact CD2-CD2 4.3Å
186K96.3Very high94.7Very high45 Ų4525.6 Ų25.620%0.19612%0.124CC..Hα-helixtrans-67.8-37.3174.6-61.1-173171.4-66.90111.9I114 N115 E118 E182 I183 L188 S189 V190I114-K186 HydrophobicContact CB-CB 4.48Å; I114-K186 HydrophobicContact CG1-CB 3.77Å; I114-K186 HydrophobicContact CG2-CB 3.96Å; I114-K186 HydrophobicContact CG2-CD 3.93Å; N115-K186 HydrophobicContact CB-CD 3.92Å; N115-K186 WeakPolarHBondContact OD1-CE 3.33Å; N115-K186 PolarHBondContact OD1-NZ 2.76Å; E118-K186 WeakPolarHBondContact OE2-CD 3.44Å; E118-K186 WeakPolarHBondContact OE2-CG 3.04Å; E118-K186 IonicContact OE2-NZ 3.63Å; E118-K186 PolarHBondContact OE2-NZ 3.29Å; E182-K186 WeakPolarHBondContact O-CG 3.32Å; E182-K186 PolarHBondContact O-N 3.34Å; I183-K186 PolarHBondContact O-N 3.26Å; K186-L188 PolarHBondContact O-N 3.41Å; K186-S189 WeakPolarHBondContact O-CB 3.28Å; K186-S189 PolarHBondContact O-N 2.91Å; K186-S189 VanDerWaalsContact O-N 3.11Å; K186-V190 WeakPolarHBondContact O-CG2 2.99Å; K186-V190 PolarHBondContact O-N 2.84Å
187A98.4Very high94.9Very high0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-61.9-30.6173.300000112.6I114 Y140 C141 K144 I183 A184 L191I114-A187 HydrophobicContact CD1-CB 4.46Å; Y140-A187 HydrophobicContact CE1-CB 4.06Å; C141-A187 PolarHBondContact SG-O 3.38Å; K144-A187 HydrophobicContact CB-CB 3.84Å; K144-A187 HydrophobicContact CG-CB 3.97Å; I183-A187 WeakPolarHBondContact O-CB 2.79Å; I183-A187 PolarHBondContact O-N 2.94Å; A184-A187 PolarHBondContact O-N 2.85Å; A187-L191 VanDerWaalsContact O-CB 3.31Å; A187-L191 WeakPolarHBondContact O-CB 3.46Å; A187-L191 PolarHBondContact O-N 3.34Å
188L98.1Very high95.2Very high0 Ų020.1 Ų20.10%010%0.097CC..Hα-helixtrans-63.7-47.4170.5178.959.8000111.4L145 A184 L185 K186 L191 R192 L219 L222 W228 L258 Q261 V262L145-L188 HydrophobicContact CD1-CD1 3.99Å; L145-L188 HydrophobicContact CD2-CB 3.71Å; L145-L188 HydrophobicContact CD2-CD1 4.1Å; L145-L188 HydrophobicContact CD2-CG 4.44Å; A184-L188 PolarHBondContact O-N 2.97Å; A184-L188 VanDerWaalsContact O-N 3.1Å; L185-L188 VanDerWaalsContact O-CB 3.28Å; L185-L188 WeakPolarHBondContact O-CB 3.42Å; L185-L188 PolarHBondContact O-N 3.12Å; K186-L188 PolarHBondContact O-N 3.41Å; L188-L191 PolarHBondContact O-N 2.93Å; L188-R192 PolarHBondContact O-N 3.11Å; L188-L219 HydrophobicContact CD1-CD2 4.06Å; L188-L222 HydrophobicContact CD1-CD1 4.32Å; L188-W228 HydrophobicContact CD2-CH2 3.84Å; L188-W228 HydrophobicContact CD2-CZ3 3.79Å; L188-L258 HydrophobicContact CD2-CD2 4.34Å; L188-Q261 HydrophobicContact CD2-CB 4.28Å; L188-Q261 HydrophobicContact CG-CB 4.14Å; L188-V262 HydrophobicContact CD1-CG2 4.09Å; L188-V262 HydrophobicContact CD2-CG2 3.8Å
189S97.2Very high95.4Very high4 Ų421 Ų213%0.02810%0.102CC..Hα-helixtrans-59.6-49.1176.9-57.30000111.2E118 L185 K186 L191 R192 Y193E118-S189 WeakPolarHBondContact OE1-CB 3.48Å; E118-S189 PolarHBondContact OE1-OG 3.16Å; L185-S189 PolarHBondContact O-N 3.14Å; K186-S189 WeakPolarHBondContact O-CB 3.28Å; K186-S189 PolarHBondContact O-N 2.91Å; K186-S189 VanDerWaalsContact O-N 3.11Å; S189-L191 VanDerWaalsContact C-N 3.33Å; S189-L191 PolarHBondContact O-N 3.29Å; S189-R192 WeakPolarHBondContact O-CB 3.35Å; S189-R192 PolarHBondContact O-N 3.31Å; S189-R192 VanDerWaalsContact O-N 3.12Å; S189-Y193 WeakPolarHBondContact O-CD2 2.89Å; S189-Y193 PolarHBondContact O-N 2.95Å
190V98.4Very high95.5Very high0 Ų022.4 Ų22.40%011%0.114CC..Hα-helixtrans-58.3-45.2176.9172.90000111.2I114 L117 E118 F121 L137 K186 R192 Y193 I194I114-V190 HydrophobicContact CD1-CB 4.42Å; I114-V190 HydrophobicContact CD1-CG2 3.86Å; L117-V190 HydrophobicContact CB-CG2 4.18Å; E118-V190 HydrophobicContact CB-CG2 4Å; F121-V190 HydrophobicContact CD1-CG1 4.44Å; F121-V190 HydrophobicContact CG-CG1 4.49Å; L137-V190 HydrophobicContact CD1-CG1 4.25Å; L137-V190 HydrophobicContact CD2-CG1 3.85Å; L137-V190 HydrophobicContact CG-CG1 4.16Å; K186-V190 WeakPolarHBondContact O-CG2 2.99Å; K186-V190 PolarHBondContact O-N 2.84Å; V190-R192 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 2.92Å; V190-Y193 PolarHBondContact O-N 3.45Å; V190-I194 HydrophobicContact CG1-CD1 4.21Å; V190-I194 WeakPolarHBondContact O-CG1 3.34Å; V190-I194 PolarHBondContact O-N 3.44Å
191L98.4Very high95.4Very high1 Ų122.7 Ų22.71%0.00512%0.116CC..Hα-helixtrans-61.2-42.4176.5-174.567.5000111.6C141 L145 A187 L188 S189 Y193 I194 T195 M209 L215C141-L191 HydrophobicContact CB-CB 3.95Å; C141-L191 HydrophobicContact CB-CD1 4Å; C141-L191 HydrophobicContact CB-CD2 4.46Å; C141-L191 HydrophobicContact CB-CG 4.36Å; L145-L191 HydrophobicContact CD1-CD2 3.38Å; A187-L191 VanDerWaalsContact O-CB 3.31Å; A187-L191 WeakPolarHBondContact O-CB 3.46Å; A187-L191 PolarHBondContact O-N 3.34Å; L188-L191 PolarHBondContact O-N 2.93Å; S189-L191 VanDerWaalsContact C-N 3.33Å; S189-L191 PolarHBondContact O-N 3.29Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; L191-Y193 PolarHBondContact O-N 3.06Å; L191-I194 WeakPolarHBondContact O-CB 3.18Å; L191-I194 PolarHBondContact O-N 3.5Å; L191-T195 WeakPolarHBondContact O-CG2 3.42Å; L191-T195 PolarHBondContact O-N 3.44Å; L191-M209 HydrophobicContact CD1-CE 4.18Å; L191-L215 HydrophobicContact CD1-CD1 3.85Å; L191-L215 HydrophobicContact CD2-CD1 4.1Å; L191-L215 HydrophobicContact CD2-CD2 4.16Å; L191-L215 HydrophobicContact CG-CD1 4.41Å
192R97.5Very high95.5Very high34 Ų3423.5 Ų23.513%0.12813%0.125CC..Hα-helixtrans-58.8-46.2175.3-174.3-84.7-76.4-161.7-12110.6L188 S189 V190 I194 T195 D196 Q261 I264 A265L188-R192 PolarHBondContact O-N 3.11Å; S189-R192 WeakPolarHBondContact O-CB 3.35Å; S189-R192 PolarHBondContact O-N 3.31Å; S189-R192 VanDerWaalsContact O-N 3.12Å; V190-R192 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 2.92Å; R192-I194 VanDerWaalsContact C-N 3.29Å; R192-I194 PolarHBondContact O-N 2.96Å; R192-T195 WeakPolarHBondContact O-CA 3.42Å; R192-T195 WeakPolarHBondContact O-CB 3.46Å; R192-T195 PolarHBondContact O-N 3.29Å; R192-T195 PolarHBondContact O-OG1 3.46Å; R192-D196 WeakPolarHBondContact CD-OD2 3.33Å; R192-D196 IonicContact CZ-OD2 3.99Å; R192-D196 IonicContact NE-OD2 3.36Å; R192-D196 IonicContact NH1-OD2 3.24Å; R192-D196 PolarHBondContact NH1-OD2 3.11Å; R192-D196 PolarHBondContact O-N 3.32Å; R192-D196 VanDerWaalsContact O-N 3.09Å; R192-Q261 HydrophobicContact CB-CB 4.43Å; R192-Q261 WeakPolarHBondContact CG-O 3.49Å; R192-I264 HydrophobicContact CG-CB 4.18Å; R192-I264 HydrophobicContact CG-CG2 4.08Å; R192-A265 HydrophobicContact CB-CB 4.29Å; R192-A265 HydrophobicContact CG-CB 4.13Å
193Y97.6Very high95.4Very high27 Ų2724 Ų2411%0.10613%0.129CC..Hα-helixtrans-62.5-36.1179.2-59-43.6000112.9E118 F121 F122 S189 V190 L191 T195 D196E118-Y193 HydrophobicContact CG-CE2 4.3Å; E118-Y193 WeakPolarHBondContact O-CE2 3.42Å; F121-Y193 HydrophobicContact CB-CD2 3.94Å; F121-Y193 HydrophobicContact CB-CG 4.37Å; F121-Y193 WeakPolarHBondContact O-CB 3.29Å; F122-Y193 HydrophobicContact CB-CE1 4.45Å; F122-Y193 AromaticContact CD2-CE1 3.88Å; F122-Y193 HydrophobicContact CD2-CE1 3.88Å; S189-Y193 WeakPolarHBondContact O-CD2 2.89Å; S189-Y193 PolarHBondContact O-N 2.95Å; V190-Y193 PolarHBondContact O-N 3.45Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; L191-Y193 PolarHBondContact O-N 3.06Å; Y193-T195 VanDerWaalsContact C-N 3.26Å; Y193-T195 PolarHBondContact O-N 3.27Å; Y193-D196 WeakPolarHBondContact O-CB 3.41Å; Y193-D196 PolarHBondContact O-N 3.32Å; Y193-D196 VanDerWaalsContact O-N 3.11Å
194I97.8Very high95.3Very high0 Ų024.5 Ų24.50%013%0.133CC..Hα-helixtrans-59.8-39.7170.7-64.7166.9000110.5F121 V134 L137 V138 V190 L191 R192 D196 C197 L201 M209F121-I194 HydrophobicContact CD1-CG1 4.13Å; F121-I194 HydrophobicContact CE1-CG1 4.15Å; V134-I194 HydrophobicContact CG2-CD1 4.3Å; V134-I194 HydrophobicContact CG2-CG1 4.38Å; V134-I194 HydrophobicContact CG2-CG2 4.17Å; L137-I194 HydrophobicContact CD2-CD1 3.94Å; L137-I194 HydrophobicContact CG-CD1 4.02Å; V138-I194 HydrophobicContact CG2-CD1 4.18Å; V138-I194 HydrophobicContact CG2-CG2 4.15Å; V190-I194 HydrophobicContact CG1-CD1 4.21Å; V190-I194 WeakPolarHBondContact O-CG1 3.34Å; V190-I194 PolarHBondContact O-N 3.44Å; L191-I194 WeakPolarHBondContact O-CB 3.18Å; L191-I194 PolarHBondContact O-N 3.5Å; R192-I194 VanDerWaalsContact C-N 3.29Å; R192-I194 PolarHBondContact O-N 2.96Å; I194-D196 VanDerWaalsContact C-N 3.29Å; I194-D196 PolarHBondContact O-N 3.43Å; I194-C197 PolarHBondContact O-N 3.24Å; I194-C197 VanDerWaalsContact O-N 3.11Å; I194-L201 HydrophobicContact CG2-CD1 3.95Å; I194-L201 HydrophobicContact CG2-CD2 4.27Å; I194-M209 HydrophobicContact CG2-CE 4.19Å; I194-M209 HydrophobicContact CG2-SD 4.21Å
195T97Very high95.2Very high2 Ų224.5 Ų24.51%0.01213%0.133CC..Hα-helixtrans-68.1-25176.872.50000113.7L191 R192 Y193 C197 V198 M209 A265 N268 L269L191-T195 WeakPolarHBondContact O-CG2 3.42Å; L191-T195 PolarHBondContact O-N 3.44Å; R192-T195 WeakPolarHBondContact O-CA 3.42Å; R192-T195 WeakPolarHBondContact O-CB 3.46Å; R192-T195 PolarHBondContact O-N 3.29Å; R192-T195 PolarHBondContact O-OG1 3.46Å; Y193-T195 VanDerWaalsContact C-N 3.26Å; Y193-T195 PolarHBondContact O-N 3.27Å; T195-C197 PolarHBondContact O-N 3.37Å; T195-V198 WeakPolarHBondContact O-CG2 3.42Å; T195-V198 PolarHBondContact O-N 2.93Å; T195-M209 HydrophobicContact CG2-CE 3.56Å; T195-A265 HydrophobicContact CG2-CB 4.21Å; T195-N268 WeakPolarHBondContact O-CB 3.46Å; T195-N268 PolarHBondContact O-ND2 3.38Å; T195-N268 PolarHBondContact OG1-ND2 3.24Å; T195-L269 HydrophobicContact CG2-CD1 3.98Å; T195-L269 HydrophobicContact CG2-CD2 4.02Å; T195-L269 HydrophobicContact CG2-CG 3.83Å
196D94.9Very high95.1Very high69 Ų6924.4 Ų24.437%0.36913%0.133SC..Hα-helixtrans-66.5-18.3174-67.3-29.2000111.2R192 Y193 I194 N268R192-D196 WeakPolarHBondContact CD-OD2 3.33Å; R192-D196 IonicContact CZ-OD2 3.99Å; R192-D196 IonicContact NE-OD2 3.36Å; R192-D196 IonicContact NH1-OD2 3.24Å; R192-D196 PolarHBondContact NH1-OD2 3.11Å; R192-D196 PolarHBondContact O-N 3.32Å; R192-D196 VanDerWaalsContact O-N 3.09Å; Y193-D196 WeakPolarHBondContact O-CB 3.41Å; Y193-D196 PolarHBondContact O-N 3.32Å; Y193-D196 VanDerWaalsContact O-N 3.11Å; I194-D196 VanDerWaalsContact C-N 3.29Å; I194-D196 PolarHBondContact O-N 3.43Å; D196-N268 PolarHBondContact OD1-ND2 2.98Å
197C94.5Very high94.9Very high5 Ų522.9 Ų22.93%0.03413%0.128CC..THydrogen-bonded Turntrans-100.712.1-179.1-54.90000113.6C127 I194 T195 D199 S200 L201C127-C197 HydrophobicContact CB-CB 4.37Å; I194-C197 PolarHBondContact O-N 3.24Å; I194-C197 VanDerWaalsContact O-N 3.11Å; T195-C197 PolarHBondContact O-N 3.37Å; C197-D199 PolarHBondContact O-N 3.06Å; C197-S200 PolarHBondContact O-N 3.4Å; C197-S200 PolarHBondContact O-OG 3.01Å; C197-L201 HydrophobicContact CB-CD2 4.41Å; C197-L201 WeakPolarHBondContact O-CG 3.39Å; C197-L201 PolarHBondContact O-N 3.36Å
198V93.2Very high94.7Very high3 Ų325 Ų252%0.01814%0.136CC..G310 helixtrans-46.8-38.2-173.7160.10000113.5T195 S200 L201 L206 L269 S272 E274 A275T195-V198 WeakPolarHBondContact O-CG2 3.42Å; T195-V198 PolarHBondContact O-N 2.93Å; V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 3.11Å; V198-L201 HydrophobicContact CG2-CD1 4.47Å; V198-L201 PolarHBondContact O-N 3.26Å; V198-L206 HydrophobicContact CB-CD2 4.3Å; V198-L206 HydrophobicContact CG1-CD2 3.84Å; V198-L206 HydrophobicContact CG2-CD2 4.08Å; V198-L269 HydrophobicContact CG2-CD2 4.12Å; V198-S272 WeakPolarHBondContact CG1-OG 3.49Å; V198-E274 HydrophobicContact CG1-CB 4.29Å; V198-A275 HydrophobicContact CG1-CB 4.24Å
199D90.4Very high94.7Very high113 Ų11325 Ų2560%0.60414%0.136SC*.G310 helixtrans-71.6-20.2-177.8-52.6-17.5000113.7C197C197-D199 PolarHBondContact O-N 3.06Å
200S90.8Very high94.5Very high49 Ų4925 Ų2534%0.34314%0.135SC..G310 helixtrans-106.1-3.7175.758.60000114K124 E128 C197 V198K124-S200 WeakPolarHBondContact CE-OG 3.38Å; E128-S200 WeakPolarHBondContact OE1-CB 3.44Å; E128-S200 PolarHBondContact OE1-OG 2.93Å; C197-S200 PolarHBondContact O-N 3.4Å; C197-S200 PolarHBondContact O-OG 3.01Å; V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 3.11Å
201L92.1Very high94.2Very high25 Ų2528.2 Ų28.213%0.13116%0.158CC..SBendtrans-70.4148.2178.5-67.7-177.5000112.4V134 I194 C197 V198 T205 L206 M209V134-L201 HydrophobicContact CG2-CD2 4.48Å; I194-L201 HydrophobicContact CG2-CD1 3.95Å; I194-L201 HydrophobicContact CG2-CD2 4.27Å; C197-L201 HydrophobicContact CB-CD2 4.41Å; C197-L201 WeakPolarHBondContact O-CG 3.39Å; C197-L201 PolarHBondContact O-N 3.36Å; V198-L201 HydrophobicContact CG2-CD1 4.47Å; V198-L201 PolarHBondContact O-N 3.26Å; L201-T205 HydrophobicContact CD1-CG2 4.02Å; L201-T205 HydrophobicContact CD2-CG2 4.25Å; L201-T205 HydrophobicContact CG-CG2 4.5Å; L201-L206 HydrophobicContact CB-CD2 4.17Å; L201-L206 HydrophobicContact CB-CG 4.02Å; L201-L206 HydrophobicContact CD1-CD2 3.94Å; L201-M209 HydrophobicContact CD1-SD 3.88Å
202S92.5Very high93.9Very high45 Ų4532 Ų3232%0.31518%0.181SC..  trans-63.1156171.8860000111.5S204 T205 L206S202-S204 VanDerWaalsContact C-N 3.26Å; S202-S204 PolarHBondContact O-N 2.82Å; S202-S204 PolarHBondContact OG-N 3.29Å; S202-T205 PolarHBondContact O-N 3.46Å; S202-T205 VanDerWaalsContact O-N 3.15Å; S202-T205 PolarHBondContact OG-N 2.8Å; S202-T205 VanDerWaalsContact OG-N 3.11Å; S202-T205 PolarHBondContact OG-OG1 3.07Å; S202-L206 PolarHBondContact O-N 3.48Å; S202-L206 VanDerWaalsContact O-N 3.12Å
203L90.9Very high93.8Very high68 Ų6831.8 Ų31.836%0.35618%0.182SC..Hα-helixtrans-56.8-41.9174176.760.1000112T205 L206 S207 R278 V330L203-T205 VanDerWaalsContact C-N 3.29Å; L203-T205 PolarHBondContact O-N 3.05Å; L203-L206 PolarHBondContact O-N 3.06Å; L203-S207 WeakPolarHBondContact O-CB 3.39Å; L203-S207 PolarHBondContact O-N 2.9Å; L203-R278 VanDerWaalsContact CD1-NE 3.27Å; L203-R278 VanDerWaalsContact CD1-NH2 3.26Å; L203-V330 HydrophobicContact CD2-CG1 3.73Å; L203-V330 HydrophobicContact CG-CG1 4.43Å
204S92.9Very high93.7Very high12 Ų1232.3 Ų32.38%0.08419%0.186CC..Hα-helixtrans-59.4-43178.8-49.60000110.6S202 S207 R208 Q333S202-S204 VanDerWaalsContact C-N 3.26Å; S202-S204 PolarHBondContact O-N 2.82Å; S202-S204 PolarHBondContact OG-N 3.29Å; S204-S207 PolarHBondContact O-N 3.22Å; S204-R208 VanDerWaalsContact O-CB 3.27Å; S204-R208 WeakPolarHBondContact O-CB 3.38Å; S204-R208 PolarHBondContact O-N 3.06Å; S204-Q333 PolarHBondContact OG-N 3.04Å
205T94.5Very high93.7Very high1 Ų132.3 Ų32.31%0.00619%0.186CC..Hα-helixtrans-65.7-48.1-179.2-50.60000111.1V134 L135 V138 L201 S202 L203 S207 R208 M209V134-T205 HydrophobicContact CG1-CG2 3.86Å; V134-T205 WeakPolarHBondContact CG1-OG1 3.36Å; V134-T205 HydrophobicContact CG2-CG2 4.41Å; L135-T205 VanDerWaalsContact CD2-CA 3.49Å; V138-T205 HydrophobicContact CG2-CG2 4.1Å; L201-T205 HydrophobicContact CD1-CG2 4.02Å; L201-T205 HydrophobicContact CD2-CG2 4.25Å; L201-T205 HydrophobicContact CG-CG2 4.5Å; S202-T205 PolarHBondContact O-N 3.46Å; S202-T205 VanDerWaalsContact O-N 3.15Å; S202-T205 PolarHBondContact OG-N 2.8Å; S202-T205 VanDerWaalsContact OG-N 3.11Å; S202-T205 PolarHBondContact OG-OG1 3.07Å; L203-T205 VanDerWaalsContact C-N 3.29Å; L203-T205 PolarHBondContact O-N 3.05Å; T205-S207 PolarHBondContact O-N 3.43Å; T205-R208 PolarHBondContact O-N 3.14Å; T205-M209 HydrophobicContact CG2-SD 4.18Å; T205-M209 VanDerWaalsContact O-CG 3.29Å; T205-M209 WeakPolarHBondContact O-CG 3.2Å; T205-M209 PolarHBondContact O-N 2.75Å
206L94Very high93.8Very high10 Ų1032.2 Ų32.25%0.05219%0.185CC..Hα-helixtrans-62.5-43.5177.5-69.6176.1000112.3V198 L201 S202 L203 R208 M209 L210 E274V198-L206 HydrophobicContact CB-CD2 4.3Å; V198-L206 HydrophobicContact CG1-CD2 3.84Å; V198-L206 HydrophobicContact CG2-CD2 4.08Å; L201-L206 HydrophobicContact CB-CD2 4.17Å; L201-L206 HydrophobicContact CB-CG 4.02Å; L201-L206 HydrophobicContact CD1-CD2 3.94Å; S202-L206 PolarHBondContact O-N 3.48Å; S202-L206 VanDerWaalsContact O-N 3.12Å; L203-L206 PolarHBondContact O-N 3.06Å; L206-R208 VanDerWaalsContact C-N 3.3Å; L206-R208 PolarHBondContact O-N 2.91Å; L206-M209 PolarHBondContact O-N 2.96Å; L206-L210 VanDerWaalsContact O-CB 3.3Å; L206-L210 WeakPolarHBondContact O-CB 3.1Å; L206-L210 WeakPolarHBondContact O-CG 3.12Å; L206-L210 PolarHBondContact O-N 3.46Å; L206-E274 HydrophobicContact CD1-CB 4.22Å
207S92.8Very high93.9Very high13 Ų1329.3 Ų29.39%0.09117%0.171CC..Hα-helixtrans-61.8-40.2176.7-168.80000111.5L203 S204 T205 L210 S211 T212 E332L203-S207 WeakPolarHBondContact O-CB 3.39Å; L203-S207 PolarHBondContact O-N 2.9Å; S204-S207 PolarHBondContact O-N 3.22Å; T205-S207 PolarHBondContact O-N 3.43Å; S207-L210 PolarHBondContact O-N 3.47Å; S207-S211 WeakPolarHBondContact O-CA 3.36Å; S207-S211 VanDerWaalsContact O-CB 3.25Å; S207-S211 WeakPolarHBondContact O-CB 3.2Å; S207-S211 PolarHBondContact O-N 3.41Å; S207-T212 PolarHBondContact O-N 3.34Å; S207-E332 WeakPolarHBondContact CB-OE1 3.47Å; S207-E332 PolarHBondContact OG-OE1 3.14Å
208R94.1Very high94Very high44 Ų4430 Ų3017%0.16617%0.174CC..Iπ-helixtrans-65.6-41.9177.8-163.7159.6-168.9101.91.6112.5L135 D139 S204 T205 L206 T212 H213 P335L135-R208 HydrophobicContact CD2-CB 4.21Å; D139-R208 IonicContact OD1-CZ 3.99Å; D139-R208 IonicContact OD1-NE 3.31Å; D139-R208 PolarHBondContact OD1-NE 3.3Å; D139-R208 IonicContact OD1-NH2 3.41Å; D139-R208 PolarHBondContact OD1-NH2 3.19Å; D139-R208 IonicContact OD2-CZ 3.99Å; D139-R208 IonicContact OD2-NE 2.69Å; D139-R208 PolarHBondContact OD2-NE 2.85Å; D139-R208 IonicContact OD2-NH2 3.48Å; D139-R208 PolarHBondContact OD2-NH2 3.07Å; S204-R208 VanDerWaalsContact O-CB 3.27Å; S204-R208 WeakPolarHBondContact O-CB 3.38Å; S204-R208 PolarHBondContact O-N 3.06Å; T205-R208 PolarHBondContact O-N 3.14Å; L206-R208 VanDerWaalsContact C-N 3.3Å; L206-R208 PolarHBondContact O-N 2.91Å; R208-T212 WeakPolarHBondContact O-CB 3.42Å; R208-H213 PolarHBondContact O-CD2 2.9Å; R208-H213 PolarHBondContact O-N 3.01Å; R208-P335 VanDerWaalsContact NH2-CG 3.26Å
209M96.4Very high94.2Very high0 Ų029.9 Ų29.90%017%0.173CC..Iπ-helixtrans-64.2-45.5175.1-71.5177.585.500112.5V138 L191 I194 T195 L201 T205 L206 N214 L215 L269V138-M209 HydrophobicContact CG1-CG 3.68Å; V138-M209 HydrophobicContact CG2-CG 4.03Å; V138-M209 HydrophobicContact CG2-SD 4.21Å; L191-M209 HydrophobicContact CD1-CE 4.18Å; I194-M209 HydrophobicContact CG2-CE 4.19Å; I194-M209 HydrophobicContact CG2-SD 4.21Å; T195-M209 HydrophobicContact CG2-CE 3.56Å; L201-M209 HydrophobicContact CD1-SD 3.88Å; T205-M209 HydrophobicContact CG2-SD 4.18Å; T205-M209 VanDerWaalsContact O-CG 3.29Å; T205-M209 WeakPolarHBondContact O-CG 3.2Å; T205-M209 PolarHBondContact O-N 2.75Å; L206-M209 PolarHBondContact O-N 2.96Å; M209-N214 PolarHBondContact O-N 3.37Å; M209-L215 HydrophobicContact CB-CD1 3.67Å; M209-L215 HydrophobicContact CB-CG 4.38Å; M209-L215 HydrophobicContact CE-CD1 3.72Å; M209-L215 HydrophobicContact CG-CD1 3.66Å; M209-L215 WeakPolarHBondContact O-CB 3.31Å; M209-L215 VanDerWaalsContact O-CG 3.31Å; M209-L215 WeakPolarHBondContact O-CG 3.39Å; M209-L215 PolarHBondContact O-N 2.67Å; M209-L269 HydrophobicContact CE-CD2 3.95Å
210L94.7Very high94.6Very high3 Ų324.6 Ų24.62%0.01615%0.145CC..Iπ-helixtrans-92.2-42.2-168.6-66.6173.8000113.6L206 S207 N214 P216 L269 A275 R278 Y279L206-L210 VanDerWaalsContact O-CB 3.3Å; L206-L210 WeakPolarHBondContact O-CB 3.1Å; L206-L210 WeakPolarHBondContact O-CG 3.12Å; L206-L210 PolarHBondContact O-N 3.46Å; S207-L210 PolarHBondContact O-N 3.47Å; L210-N214 WeakPolarHBondContact O-CA 3.4Å; L210-P216 HydrophobicContact CD2-CG 4Å; L210-L269 HydrophobicContact CD2-CB 4.35Å; L210-L269 HydrophobicContact CD2-CD2 4.12Å; L210-A275 HydrophobicContact CD1-CB 3.87Å; L210-A275 WeakPolarHBondContact CD1-O 3.43Å; L210-R278 HydrophobicContact CD1-CB 4.12Å; L210-Y279 HydrophobicContact CB-CD2 4.02Å; L210-Y279 HydrophobicContact CD2-CD2 3.97Å; L210-Y279 HydrophobicContact CD2-CG 4.34Å
211S91.1Very high94.8Very high68 Ų6824.3 Ų24.348%0.47614%0.138SC..Iπ-helixtrans-99.7-44.6-171.9-54.20000112.4S207S207-S211 WeakPolarHBondContact O-CA 3.36Å; S207-S211 VanDerWaalsContact O-CB 3.25Å; S207-S211 WeakPolarHBondContact O-CB 3.2Å; S207-S211 PolarHBondContact O-N 3.41Å
212T92.8Very high95Very high80 Ų8023.1 Ų23.149%0.49113%0.132SC..Iπ-helixtrans-75.8-52.1-178.3-57.10000111.6S207 R208S207-T212 PolarHBondContact O-N 3.34Å; R208-T212 WeakPolarHBondContact O-CB 3.42Å
213H95.6Very high95.1Very high31 Ų3121.3 Ų21.314%0.14412%0.119CC..SBendtrans-96.2-17.5-176.3-67.3-38.7000114.4D139 H142 R208 L215D139-H213 IonicContact OD1-CD2 2.71Å; D139-H213 IonicContact OD1-CE1 3.37Å; D139-H213 PolarHBondContact OD1-CE1 3.12Å; D139-H213 IonicContact OD1-NE2 3.71Å; D139-H213 PolarHBondContact OD1-NE2 3.15Å; H142-H213 AromaticContact CD2-CG 3.66Å; H142-H213 AromaticContact CD2-ND1 3.81Å; H142-H213 AromaticContact CE1-ND1 3.4Å; H142-H213 PolarHBondContact CE1-ND1 3.43Å; H142-H213 AromaticContact CG-CD2 3.98Å; H142-H213 AromaticContact CG-CE1 3.92Å; H142-H213 AromaticContact CG-CG 3.55Å; H142-H213 AromaticContact CG-ND1 3.53Å; H142-H213 AromaticContact ND1-CE1 3.56Å; H142-H213 AromaticContact ND1-CG 3.83Å; H142-H213 AromaticContact ND1-ND1 3.28Å; H142-H213 PolarHBondContact ND1-ND1 2.93Å; H142-H213 AromaticContact NE2-CG 3.99Å; H142-H213 AromaticContact NE2-ND1 3.74Å; R208-H213 PolarHBondContact O-CD2 2.9Å; R208-H213 PolarHBondContact O-N 3.01Å; H213-L215 VanDerWaalsContact C-N 3.27Å; H213-L215 HydrophobicContact CB-CD2 4.04Å; H213-L215 HydrophobicContact CB-CG 4.14Å; H213-L215 PolarHBondContact O-N 3.21Å
214N95.5Very high95.2Very high37 Ų3721.4 Ų21.420%0.19812%0.117CC..  trans47.752.6-175.5-168.1-3.3000111.7M209 L210 P216 C217 L218 Y279M209-N214 PolarHBondContact O-N 3.37Å; L210-N214 WeakPolarHBondContact O-CA 3.4Å; N214-P216 VanDerWaalsContact C-N 3.27Å; N214-C217 VanDerWaalsContact CG-SG 3.54Å; N214-C217 PolarHBondContact ND2-SG 3.34Å; N214-C217 PolarHBondContact O-N 2.94Å; N214-C217 PolarHBondContact OD1-SG 3.04Å; N214-L218 PolarHBondContact O-N 3.11Å; N214-Y279 PolarHBondContact OD1-OH 3.01Å; N214-Y279 VanDerWaalsContact OD1-OH 3.09Å
215L97.7Very high95Very high0 Ų024.8 Ų24.80%013%0.132CC..Hα-helixtrans-52.4-37.2-177.8-69.3-178.2000113.6H142 L191 M209 H213 C217 L218 L219 L269H142-L215 HydrophobicContact CB-CD2 4.41Å; L191-L215 HydrophobicContact CD1-CD1 3.85Å; L191-L215 HydrophobicContact CD2-CD1 4.1Å; L191-L215 HydrophobicContact CD2-CD2 4.16Å; L191-L215 HydrophobicContact CG-CD1 4.41Å; M209-L215 HydrophobicContact CB-CD1 3.67Å; M209-L215 HydrophobicContact CB-CG 4.38Å; M209-L215 HydrophobicContact CE-CD1 3.72Å; M209-L215 HydrophobicContact CG-CD1 3.66Å; M209-L215 WeakPolarHBondContact O-CB 3.31Å; M209-L215 VanDerWaalsContact O-CG 3.31Å; M209-L215 WeakPolarHBondContact O-CG 3.39Å; M209-L215 PolarHBondContact O-N 2.67Å; H213-L215 VanDerWaalsContact C-N 3.27Å; H213-L215 HydrophobicContact CB-CD2 4.04Å; H213-L215 HydrophobicContact CB-CG 4.14Å; H213-L215 PolarHBondContact O-N 3.21Å; L215-C217 VanDerWaalsContact C-N 3.28Å; L215-C217 PolarHBondContact O-N 3.15Å; L215-L218 HydrophobicContact CD2-CD2 4.04Å; L215-L218 PolarHBondContact O-N 2.94Å; L215-L218 VanDerWaalsContact O-N 3.14Å; L215-L219 WeakPolarHBondContact O-CB 3.44Å; L215-L219 VanDerWaalsContact O-CG 3.24Å; L215-L219 WeakPolarHBondContact O-CG 3.11Å; L215-L219 PolarHBondContact O-N 3.31Å; L215-L269 HydrophobicContact CB-CD1 3.98Å
216P97.6Very high94.9Very high0 Ų025.8 Ų25.80%014%0.138CC..Hα-helixtrans-56-41.1175-26.835.9000113.1L210 N214 V220 L266 L269 L270 Y279 L289L210-P216 HydrophobicContact CD2-CG 4Å; N214-P216 VanDerWaalsContact C-N 3.27Å; P216-V220 WeakPolarHBondContact O-CG2 3.45Å; P216-V220 PolarHBondContact O-N 3.34Å; P216-V220 VanDerWaalsContact O-N 3.14Å; P216-L266 HydrophobicContact CB-CD2 4.37Å; P216-L269 HydrophobicContact CG-CB 4.27Å; P216-L269 HydrophobicContact CG-CD1 4.34Å; P216-L270 HydrophobicContact CB-CD2 4.04Å; P216-L270 HydrophobicContact CG-CD2 4.28Å; P216-Y279 HydrophobicContact CB-CE2 4.44Å; P216-Y279 HydrophobicContact CG-CD2 4.45Å; P216-Y279 HydrophobicContact CG-CE2 3.92Å; P216-L289 HydrophobicContact CB-CD2 4.05Å
217C97.3Very high94.7Very high9 Ų926 Ų266%0.06114%0.14CC..Hα-helixtrans-70.7-39.2176.7-66.20000112.2N214 L215 L219 V220 E221 Q288N214-C217 VanDerWaalsContact CG-SG 3.54Å; N214-C217 PolarHBondContact ND2-SG 3.34Å; N214-C217 PolarHBondContact O-N 2.94Å; N214-C217 PolarHBondContact OD1-SG 3.04Å; L215-C217 VanDerWaalsContact C-N 3.28Å; L215-C217 PolarHBondContact O-N 3.15Å; C217-L219 VanDerWaalsContact C-N 3.3Å; C217-L219 PolarHBondContact O-N 3.25Å; C217-V220 WeakPolarHBondContact O-CB 3.34Å; C217-V220 PolarHBondContact O-N 2.9Å; C217-E221 WeakPolarHBondContact O-CG 3.49Å; C217-E221 PolarHBondContact O-N 3.18Å; C217-E221 VanDerWaalsContact O-N 3.12Å; C217-Q288 HydrophobicContact CB-CB 4.46Å
218L97.6Very high94.6Very high20 Ų2025.5 Ų25.511%0.10514%0.137CC..Hα-helixtrans-60.9-40.9175.7178.461.4000111.9L145 V149 N214 L215 E221 L222L145-L218 HydrophobicContact CB-CD2 3.8Å; L145-L218 HydrophobicContact CB-CG 4.37Å; L145-L218 HydrophobicContact CD1-CD2 4.47Å; V149-L218 HydrophobicContact CG2-CD1 3.82Å; N214-L218 PolarHBondContact O-N 3.11Å; L215-L218 HydrophobicContact CD2-CD2 4.04Å; L215-L218 PolarHBondContact O-N 2.94Å; L215-L218 VanDerWaalsContact O-N 3.14Å; L218-E221 PolarHBondContact O-N 3.37Å; L218-L222 PolarHBondContact O-N 2.9Å
219L98.1Very high94.4Very high0 Ų025.4 Ų25.40%014%0.139CC..Hα-helixtrans-66.3-35.7177-69.4170000112.1L188 L215 C217 L222 L223 V262 A265 L266 L269L188-L219 HydrophobicContact CD1-CD2 4.06Å; L215-L219 WeakPolarHBondContact O-CB 3.44Å; L215-L219 VanDerWaalsContact O-CG 3.24Å; L215-L219 WeakPolarHBondContact O-CG 3.11Å; L215-L219 PolarHBondContact O-N 3.31Å; C217-L219 VanDerWaalsContact C-N 3.3Å; C217-L219 PolarHBondContact O-N 3.25Å; L219-L222 HydrophobicContact CD2-CD1 4.27Å; L219-L222 PolarHBondContact O-N 3.24Å; L219-L223 PolarHBondContact O-N 3.25Å; L219-L223 VanDerWaalsContact O-N 3.15Å; L219-V262 HydrophobicContact CB-CG1 3.79Å; L219-V262 HydrophobicContact CD2-CG1 3.89Å; L219-V262 HydrophobicContact CG-CG1 4.38Å; L219-V262 VanDerWaalsContact O-CG1 3.31Å; L219-V262 WeakPolarHBondContact O-CG1 3.36Å; L219-A265 HydrophobicContact CD1-CB 3.75Å; L219-A265 HydrophobicContact CD2-CB 4.32Å; L219-L266 HydrophobicContact CB-CD1 4.28Å; L219-L266 HydrophobicContact CB-CD2 3.74Å; L219-L266 HydrophobicContact CB-CG 3.81Å; L219-L266 HydrophobicContact CD1-CD2 4.15Å; L219-L266 HydrophobicContact CD1-CG 4.1Å; L219-L269 HydrophobicContact CD1-CD1 4.01Å
220V97.4Very high94Very high1 Ų128.3 Ų28.31%0.00615%0.15CC..Hα-helixtrans-59.3-50.5170.5174.20000110.4P216 C217 L222 L223 E224 L289 K291 L292P216-V220 WeakPolarHBondContact O-CG2 3.45Å; P216-V220 PolarHBondContact O-N 3.34Å; P216-V220 VanDerWaalsContact O-N 3.14Å; C217-V220 WeakPolarHBondContact O-CB 3.34Å; C217-V220 PolarHBondContact O-N 2.9Å; V220-L222 PolarHBondContact O-N 3.49Å; V220-L223 WeakPolarHBondContact O-CB 3.4Å; V220-L223 PolarHBondContact O-N 2.98Å; V220-E224 HydrophobicContact CG1-CG 4.21Å; V220-E224 WeakPolarHBondContact O-CG 3.16Å; V220-E224 PolarHBondContact O-N 2.9Å; V220-L289 HydrophobicContact CG2-CD2 3.99Å; V220-K291 HydrophobicContact CG1-CB 4.34Å; V220-L292 HydrophobicContact CB-CD2 4.47Å; V220-L292 HydrophobicContact CG1-CD2 4.43Å; V220-L292 HydrophobicContact CG2-CD1 3.97Å; V220-L292 HydrophobicContact CG2-CD2 3.84Å; V220-L292 HydrophobicContact CG2-CG 3.82Å
221E96.1Very high93.5Very high43 Ų4337.2 Ų37.220%0.20118%0.184CC..Hα-helixtrans-60.7-35-179.4-64.7-70.3152.800111.7V149 C217 L218 E224 H225 Q288 K291V149-E221 HydrophobicContact CG1-CB 4.15Å; V149-E221 HydrophobicContact CG2-CB 4.26Å; C217-E221 WeakPolarHBondContact O-CG 3.49Å; C217-E221 PolarHBondContact O-N 3.18Å; C217-E221 VanDerWaalsContact O-N 3.12Å; L218-E221 PolarHBondContact O-N 3.37Å; E221-E224 PolarHBondContact O-N 3.09Å; E221-H225 WeakPolarHBondContact O-CB 3.37Å; E221-H225 PolarHBondContact O-CD2 3.17Å; E221-H225 VanDerWaalsContact O-CD2 3.24Å; E221-H225 PolarHBondContact O-N 3.39Å; E221-H225 IonicContact OE2-CD2 3.86Å; E221-H225 IonicContact OE2-NE2 3.52Å; E221-Q288 VanDerWaalsContact OE1-CD 3.27Å; E221-Q288 PolarHBondContact OE1-NE2 3.15Å; E221-Q288 PolarHBondContact OE1-OE1 3.01Å; E221-Q288 VanDerWaalsContact OE1-OE1 3.05Å; E221-K291 IonicContact OE1-NZ 2.79Å; E221-K291 PolarHBondContact OE1-NZ 3.39Å
222L95.8Very high93.1Very high0 Ų037.9 Ų37.90%018%0.179CC..Hα-helixtrans-63.4-39.8172.2-75.8171.7000113L145 L148 V149 L188 L218 L219 V220 S226 P227 W228 V262L145-L222 HydrophobicContact CB-CD1 4.22Å; L145-L222 HydrophobicContact CD1-CD1 4.02Å; L145-L222 HydrophobicContact CD2-CD1 4.13Å; L145-L222 HydrophobicContact CG-CD1 4.34Å; L148-L222 HydrophobicContact CB-CD2 4.07Å; V149-L222 HydrophobicContact CG2-CD2 3.55Å; V149-L222 HydrophobicContact CG2-CG 3.77Å; L188-L222 HydrophobicContact CD1-CD1 4.32Å; L218-L222 PolarHBondContact O-N 2.9Å; L219-L222 HydrophobicContact CD2-CD1 4.27Å; L219-L222 PolarHBondContact O-N 3.24Å; V220-L222 PolarHBondContact O-N 3.49Å; L222-S226 VanDerWaalsContact O-CA 3.23Å; L222-S226 WeakPolarHBondContact O-CA 3.31Å; L222-S226 PolarHBondContact O-N 3.29Å; L222-P227 HydrophobicContact CD2-CG 3.93Å; L222-W228 HydrophobicContact CB-CH2 4.31Å; L222-W228 HydrophobicContact CD2-CZ3 4.46Å; L222-V262 HydrophobicContact CB-CG2 4.49Å
223L94.6Very high92.5Very high8 Ų838 Ų384%0.04220%0.197CC..Hα-helixtrans-67.7-41.4174.9-74.1171.2000111.7L219 V220 H225 S226 D259 V262 W263 L266 L292L219-L223 PolarHBondContact O-N 3.25Å; L219-L223 VanDerWaalsContact O-N 3.15Å; V220-L223 WeakPolarHBondContact O-CB 3.4Å; V220-L223 PolarHBondContact O-N 2.98Å; L223-H225 VanDerWaalsContact C-N 3.33Å; L223-H225 PolarHBondContact O-N 2.9Å; L223-S226 PolarHBondContact O-OG 3.46Å; L223-D259 HydrophobicContact CD2-CB 4.42Å; L223-V262 HydrophobicContact CD1-CG1 3.95Å; L223-V262 HydrophobicContact CD2-CB 4.02Å; L223-V262 HydrophobicContact CD2-CG1 4.05Å; L223-V262 HydrophobicContact CG-CB 4.17Å; L223-V262 HydrophobicContact CG-CG1 3.62Å; L223-W263 HydrophobicContact CD1-CD2 3.99Å; L223-W263 HydrophobicContact CD1-CE3 4.23Å; L223-W263 HydrophobicContact CD1-CH2 3.95Å; L223-W263 HydrophobicContact CD1-CZ2 3.68Å; L223-W263 HydrophobicContact CD1-CZ3 4.21Å; L223-L266 HydrophobicContact CD1-CD1 3.64Å; L223-L292 HydrophobicContact CD1-CD2 3.64Å
224E92.6Very high91.8Very high69 Ų6939.8 Ų39.832%0.32222%0.223SC..Hα-helixtrans-62.3-42.7179.6-58.2-146.1124.300111.9V220 E221 K291 F295V220-E224 HydrophobicContact CG1-CG 4.21Å; V220-E224 WeakPolarHBondContact O-CG 3.16Å; V220-E224 PolarHBondContact O-N 2.9Å; E221-E224 PolarHBondContact O-N 3.09Å; E224-K291 VanDerWaalsContact CD-CD 3.47Å; E224-K291 WeakPolarHBondContact OE1-CD 3.4Å; E224-K291 IonicContact OE1-NZ 2.6Å; E224-K291 WeakPolarHBondContact OE2-CD 3.24Å; E224-K291 IonicContact OE2-NZ 2.66Å; E224-K291 PolarHBondContact OE2-NZ 3.15Å; E224-F295 HydrophobicContact CB-CZ 4.34Å; E224-F295 HydrophobicContact CG-CE2 4.09Å; E224-F295 HydrophobicContact CG-CZ 3.97Å
225H89.9Confident91.3Very high84 Ų8444.4 Ų44.439%0.38924%0.242SC..Hα-helixtrans-90.5-29-175.7-73.7-60.4000114E221 L223E221-H225 WeakPolarHBondContact O-CB 3.37Å; E221-H225 PolarHBondContact O-CD2 3.17Å; E221-H225 VanDerWaalsContact O-CD2 3.24Å; E221-H225 PolarHBondContact O-N 3.39Å; E221-H225 IonicContact OE2-CD2 3.86Å; E221-H225 IonicContact OE2-NE2 3.52Å; L223-H225 VanDerWaalsContact C-N 3.33Å; L223-H225 PolarHBondContact O-N 2.9Å
226S90.4Very high90.9Very high21 Ų2145.6 Ų45.615%0.14725%0.248CC..  trans42.169.9-179.1-67.40000113.1L222 L223 W228 N229L222-S226 VanDerWaalsContact O-CA 3.23Å; L222-S226 WeakPolarHBondContact O-CA 3.31Å; L222-S226 PolarHBondContact O-N 3.29Å; L223-S226 PolarHBondContact O-OG 3.46Å; S226-W228 PolarHBondContact O-N 3.22Å; S226-N229 VanDerWaalsContact CB-ND2 3.27Å; S226-N229 WeakPolarHBondContact CB-ND2 3.48Å; S226-N229 WeakPolarHBondContact O-CB 3.29Å; S226-N229 PolarHBondContact O-N 2.75Å; S226-N229 PolarHBondContact OG-ND2 3.28Å
227P90.7Very high90.4Very high15 Ų1546.6 Ų46.610%0.09725%0.253CS..THydrogen-bonded Turntrans-58.7-20.8-172.716.2-25.5000114.6L148 S152 F181 L222 N229L148-P227 HydrophobicContact CB-CB 4.41Å; L148-P227 HydrophobicContact CB-CG 4.05Å; S152-P227 WeakPolarHBondContact OG-CB 3.29Å; F181-P227 HydrophobicContact CE2-CB 4.2Å; F181-P227 WeakPolarHBondContact CZ-O 3.41Å; L222-P227 HydrophobicContact CD2-CG 3.93Å; P227-N229 VanDerWaalsContact C-N 3.34Å
228W91.5Very high90Very high2 Ų247.7 Ų47.71%0.00826%0.257CS..THydrogen-bonded Turntrans-85.61.1174.347.683.3000114.3L185 L188 L222 S226 Q238 F239 W244 S256 L258 D259 V262L185-W228 HydrophobicContact CD2-CE3 3.67Å; L185-W228 HydrophobicContact CD2-CZ3 4.27Å; L188-W228 HydrophobicContact CD2-CH2 3.84Å; L188-W228 HydrophobicContact CD2-CZ3 3.79Å; L222-W228 HydrophobicContact CB-CH2 4.31Å; L222-W228 HydrophobicContact CD2-CZ3 4.46Å; S226-W228 PolarHBondContact O-N 3.22Å; W228-Q238 CarbonylContact O-C 3.42Å; W228-Q238 WeakPolarHBondContact O-CA 3.41Å; W228-F239 HydrophobicContact CB-CB 4.22Å; W228-F239 PolarHBondContact O-N 2.98Å; W228-W244 VanDerWaalsContact O-CZ3 3.26Å; W228-W244 WeakPolarHBondContact O-CZ3 3.45Å; W228-S256 PolarHBondContact NE1-OG 2.77Å; W228-L258 HydrophobicContact CB-CD1 3.43Å; W228-L258 VanDerWaalsContact CB-CD1 3.43Å; W228-L258 HydrophobicContact CD2-CB 3.62Å; W228-L258 HydrophobicContact CD2-CD1 3.7Å; W228-L258 HydrophobicContact CD2-CG 4.27Å; W228-L258 HydrophobicContact CE3-CB 4.05Å; W228-L258 HydrophobicContact CE3-CD1 3.98Å; W228-L258 HydrophobicContact CE3-CG 4.5Å; W228-L258 HydrophobicContact CG-CB 3.96Å; W228-L258 HydrophobicContact CG-CD1 3.46Å; W228-L258 VanDerWaalsContact CG-CD1 3.46Å; W228-L258 HydrophobicContact CG-CG 4.36Å; W228-L258 HydrophobicContact CH2-CB 4.4Å; W228-L258 HydrophobicContact CZ2-CB 4.01Å; W228-L258 HydrophobicContact CZ3-CB 4.41Å; W228-D259 VanDerWaalsContact CZ2-OD1 3.3Å; W228-D259 WeakPolarHBondContact CZ2-OD1 3.32Å; W228-D259 PolarHBondContact NE1-OD1 3.43Å; W228-V262 HydrophobicContact CH2-CG2 3.65Å; W228-V262 HydrophobicContact CZ2-CG2 4.05Å
229N89.4Confident89.5Confident42 Ų4248 Ų4823%0.22526%0.257CS..EExtended strand (participates in β ladder)trans-115.8131.9176.6-64.4-31.1000109S226 P227 Q237 Q238S226-N229 VanDerWaalsContact CB-ND2 3.27Å; S226-N229 WeakPolarHBondContact CB-ND2 3.48Å; S226-N229 WeakPolarHBondContact O-CB 3.29Å; S226-N229 PolarHBondContact O-N 2.75Å; S226-N229 PolarHBondContact OG-ND2 3.28Å; P227-N229 VanDerWaalsContact C-N 3.34Å; N229-Q237 WeakPolarHBondContact CA-O 3.27Å; N229-Q238 VanDerWaalsContact OD1-CG 3.23Å; N229-Q238 WeakPolarHBondContact OD1-CG 3.46Å; N229-Q238 PolarHBondContact OD1-NE2 3.5Å; N229-Q238 VanDerWaalsContact OD1-NE2 3.13Å
230R88.4Confident88.7Confident61 Ų6150.4 Ų50.423%0.2327%0.268CS..EExtended strand (participates in β ladder)trans-140.9154.2172.671.2-172.5-172.7160.610.9111.7E159 E232 Q237 W244E159-R230 IonicContact OE1-CZ 3.61Å; E159-R230 VanDerWaalsContact OE1-CZ 3.24Å; E159-R230 IonicContact OE1-NH1 3.75Å; E159-R230 PolarHBondContact OE1-NH1 2.94Å; E159-R230 IonicContact OE1-NH2 3.89Å; E159-R230 PolarHBondContact OE1-NH2 3.5Å; R230-E232 IonicContact CZ-OE2 2.77Å; R230-E232 IonicContact NH2-OE2 3.84Å; R230-E232 PolarHBondContact NH2-OE2 3.05Å; R230-Q237 HydrophobicContact CG-CB 3.88Å; R230-Q237 VanDerWaalsContact CZ-OE1 3.24Å; R230-Q237 PolarHBondContact N-O 3.36Å; R230-Q237 PolarHBondContact O-N 3.49Å; R230-W244 HydrophobicContact CB-CH2 4.33Å; R230-W244 HydrophobicContact CB-CZ3 4.07Å; R230-W244 HydrophobicContact CG-CD2 4.39Å; R230-W244 HydrophobicContact CG-CE3 3.72Å; R230-W244 HydrophobicContact CG-CH2 4.06Å; R230-W244 HydrophobicContact CG-CZ3 3.52Å; R230-W244 VanDerWaalsContact NE-CD2 3.33Å
231R84Confident87.6Confident190 Ų19052.1 Ų52.172%0.71729%0.287SS*.EExtended strand (participates in β ladder)trans-109.1117173.1-73.2-177.2179.3-104.70.5109.6K235 L236R231-K235 WeakPolarHBondContact CA-O 3.15Å; R231-L236 HydrophobicContact CG-CD1 4.27Å
232E81.8Confident86.7Confident82 Ų8253.3 Ų53.338%0.38330%0.3SS..EExtended strand (participates in β ladder)trans-124.8126.4179.1-157.8-164.1150.400109.2R230 G234 K235 Q237R230-E232 IonicContact CZ-OE2 2.77Å; R230-E232 IonicContact NH2-OE2 3.84Å; R230-E232 PolarHBondContact NH2-OE2 3.05Å; E232-G234 PolarHBondContact O-N 3.07Å; E232-G234 VanDerWaalsContact O-N 3.14Å; E232-K235 PolarHBondContact N-O 3.08Å; E232-K235 PolarHBondContact O-N 3.22Å; E232-Q237 VanDerWaalsContact OE2-CD 3.31Å; E232-Q237 PolarHBondContact OE2-NE2 2.94Å; E232-Q237 PolarHBondContact OE2-OE1 3.17Å
233G79.6Confident86.1Confident84 Ų8461.7 Ų61.787%0.86633%0.331SS*.THydrogen-bonded Turntrans56.630.7-17700000114.2K235G233-K235 PolarHBondContact O-N 3.27Å
234G82.3Confident85.7Confident67 Ų6764.9 Ų64.969%0.69134%0.343SS*.THydrogen-bonded Turntrans78.1-3.3-177.200000115.2E232E232-G234 PolarHBondContact O-N 3.07Å; E232-G234 VanDerWaalsContact O-N 3.14Å
235K85.6Confident85.2Confident135 Ų13564.7 Ų64.759%0.58734%0.342SS*.EExtended strand (participates in β ladder)trans-98.3140.5177.1-60.2-176.7-176.3175.50110.5R231 E232 G233 T246R231-K235 WeakPolarHBondContact CA-O 3.15Å; E232-K235 PolarHBondContact N-O 3.08Å; E232-K235 PolarHBondContact O-N 3.22Å; G233-K235 PolarHBondContact O-N 3.27Å; K235-T246 HydrophobicContact CB-CG2 3.94Å; K235-T246 HydrophobicContact CD-CG2 3.89Å; K235-T246 HydrophobicContact CG-CG2 4.49Å
236L87.4Confident85.1Confident24 Ų2464.1 Ų64.113%0.12635%0.345CS..EExtended strand (participates in β ladder)trans-74.1128.4172.7-176.766000109.1R231 V247 Q252R231-L236 HydrophobicContact CG-CD1 4.27Å; L236-V247 HydrophobicContact CB-CB 4.47Å; L236-V247 HydrophobicContact CD2-CB 4.37Å; L236-V247 HydrophobicContact CD2-CG2 4.28Å; L236-V247 HydrophobicContact CG-CB 4.45Å; L236-V247 HydrophobicContact CG-CG2 4.18Å; L236-V247 PolarHBondContact O-N 3.07Å; L236-Q252 HydrophobicContact CD2-CB 4.46Å; L236-Q252 HydrophobicContact CD2-CG 4.16Å
237Q88.4Confident84.9Confident22 Ų2263.8 Ų63.810%0.10334%0.341CS..EExtended strand (participates in β ladder)trans-115.4143.6169.7-67.1-176.50.200110.1N229 R230 E232 W244 H245N229-Q237 WeakPolarHBondContact CA-O 3.27Å; R230-Q237 HydrophobicContact CG-CB 3.88Å; R230-Q237 VanDerWaalsContact CZ-OE1 3.24Å; R230-Q237 PolarHBondContact N-O 3.36Å; R230-Q237 PolarHBondContact O-N 3.49Å; E232-Q237 VanDerWaalsContact OE2-CD 3.31Å; E232-Q237 PolarHBondContact OE2-NE2 2.94Å; E232-Q237 PolarHBondContact OE2-OE1 3.17Å; Q237-W244 HydrophobicContact CB-CE3 4.19Å; Q237-H245 CarbonylContact C-O 3.56Å; Q237-H245 WeakPolarHBondContact CA-O 3.4Å
238Q88.2Confident84.6Confident32 Ų3265 Ų6515%0.1535%0.352CS..EExtended strand (participates in β ladder)trans-125141.7177.9-74.9-173.2-37.100109.9W228 N229 H245 V247W228-Q238 CarbonylContact O-C 3.42Å; W228-Q238 WeakPolarHBondContact O-CA 3.41Å; N229-Q238 VanDerWaalsContact OD1-CG 3.23Å; N229-Q238 WeakPolarHBondContact OD1-CG 3.46Å; N229-Q238 PolarHBondContact OD1-NE2 3.5Å; N229-Q238 VanDerWaalsContact OD1-NE2 3.13Å; Q238-H245 PolarHBondContact N-O 3.48Å; Q238-H245 PolarHBondContact O-N 2.93Å; Q238-V247 HydrophobicContact CB-CG2 3.78Å; Q238-V247 HydrophobicContact CG-CG2 3.39Å; Q238-V247 VanDerWaalsContact OE1-CG2 3.31Å
239F87.9Confident84.2Confident25 Ų2570 Ų7011%0.1139%0.386CS..EExtended strand (participates in β ladder)trans-87.8114.1174.4-167.9-97.2000109.9F181 E182 L185 W228 S242 R243 W244F181-F239 HydrophobicContact CD1-CD1 4.29Å; F181-F239 HydrophobicContact CD1-CE1 4.1Å; F181-F239 HydrophobicContact CD1-CE2 4.38Å; F181-F239 HydrophobicContact CD1-CG 4.49Å; F181-F239 HydrophobicContact CD1-CZ 4.12Å; F181-F239 HydrophobicContact CE1-CB 4.16Å; F181-F239 AromaticContact CE1-CD1 3.69Å; F181-F239 HydrophobicContact CE1-CD1 3.69Å; F181-F239 HydrophobicContact CE1-CD2 4.01Å; F181-F239 AromaticContact CE1-CE1 3.97Å; F181-F239 HydrophobicContact CE1-CE1 3.97Å; F181-F239 HydrophobicContact CE1-CE2 4.28Å; F181-F239 AromaticContact CE1-CG 3.68Å; F181-F239 HydrophobicContact CE1-CG 3.68Å; F181-F239 HydrophobicContact CE1-CZ 4.24Å; E182-F239 HydrophobicContact CG-CE1 3.97Å; E182-F239 HydrophobicContact CG-CZ 3.78Å; L185-F239 HydrophobicContact CD1-CD1 3.44Å; L185-F239 VanDerWaalsContact CD1-CD1 3.44Å; L185-F239 HydrophobicContact CD1-CE1 3.71Å; W228-F239 HydrophobicContact CB-CB 4.22Å; W228-F239 PolarHBondContact O-N 2.98Å; F239-S242 VanDerWaalsContact CZ-C 3.46Å; F239-S242 VanDerWaalsContact CZ-CA 3.48Å; F239-R243 WeakPolarHBondContact CA-O 3.34Å; F239-W244 HydrophobicContact CB-CD2 4.07Å; F239-W244 HydrophobicContact CB-CE3 3.9Å; F239-W244 HydrophobicContact CB-CH2 3.96Å; F239-W244 HydrophobicContact CB-CZ2 4.1Å; F239-W244 HydrophobicContact CB-CZ3 3.86Å; F239-W244 AromaticContact CD2-CD1 3.77Å; F239-W244 AromaticContact CD2-CD2 3.81Å; F239-W244 HydrophobicContact CD2-CD2 3.81Å; F239-W244 AromaticContact CD2-CE2 3.6Å; F239-W244 HydrophobicContact CD2-CE3 4.5Å; F239-W244 AromaticContact CD2-CG 3.93Å; F239-W244 HydrophobicContact CD2-CG 3.93Å; F239-W244 HydrophobicContact CD2-CZ2 4.14Å; F239-W244 AromaticContact CD2-NE1 3.55Å; F239-W244 AromaticContact CE2-NE1 4Å; F239-W244 HydrophobicContact CG-CD2 4.45Å; F239-W244 HydrophobicContact CG-CZ2 4.46Å
240E81.4Confident83.8Confident51 Ų5173 Ų7324%0.23841%0.409CS..EExtended strand (participates in β ladder)trans-146.3140.1179.7-173.8164-14000109.1S242 R243 H245 K257 E390 R393E240-S242 VanDerWaalsContact C-N 3.34Å; E240-S242 PolarHBondContact O-N 3.43Å; E240-R243 PolarHBondContact N-O 3.36Å; E240-R243 PolarHBondContact O-N 2.96Å; E240-R243 VanDerWaalsContact O-N 3.13Å; E240-H245 PolarHBondContact O-CD2 2.99Å; E240-H245 VanDerWaalsContact O-CD2 3.29Å; E240-H245 PolarHBondContact O-NE2 3.02Å; E240-K257 IonicContact OE1-NZ 2.97Å; E240-K257 PolarHBondContact OE1-NZ 3.08Å; E240-E390 HydrophobicContact CG-CG 4.21Å; E240-R393 IonicContact OE2-NH2 3.3Å
241G73.1Confident83.4Confident38 Ų3873.1 Ų73.139%0.39241%0.413SS..THydrogen-bonded Turntrans5842179.200000114.2R243G241-R243 PolarHBondContact O-N 3.38Å
242S78.4Confident83.3Confident68 Ų6868.2 Ų68.248%0.47640%0.398SS..THydrogen-bonded Turntrans6119.6-177.8-54.80000114.6E182 F239 E240E182-S242 VanDerWaalsContact OE2-CB 3.24Å; E182-S242 WeakPolarHBondContact OE2-CB 3.46Å; E182-S242 PolarHBondContact OE2-OG 3.11Å; F239-S242 VanDerWaalsContact CZ-C 3.46Å; F239-S242 VanDerWaalsContact CZ-CA 3.48Å; E240-S242 VanDerWaalsContact C-N 3.34Å; E240-S242 PolarHBondContact O-N 3.43Å
243R82.1Confident83.3Confident176 Ų17671.2 Ų71.266%0.66441%0.412SS*.EExtended strand (participates in β ladder)trans-142.2151-179.1-66.9-176.5179.4-175.70.7112.1F239 E240 G241 H245F239-R243 WeakPolarHBondContact CA-O 3.34Å; E240-R243 PolarHBondContact N-O 3.36Å; E240-R243 PolarHBondContact O-N 2.96Å; E240-R243 VanDerWaalsContact O-N 3.13Å; G241-R243 PolarHBondContact O-N 3.38Å; R243-H245 WeakPolarHBondContact CB-NE2 3.45Å; R243-H245 PolarHBondContact O-CD2 3.41Å
244W85.8Confident83.5Confident74 Ų7472.7 Ų72.728%0.2840%0.395SS..EExtended strand (participates in β ladder)trans-81.8125.4170.2-69.598.4000110.2F181 W228 R230 Q237 F239F181-W244 HydrophobicContact CE1-CZ2 4.17Å; F181-W244 HydrophobicContact CZ-CH2 4.45Å; F181-W244 HydrophobicContact CZ-CZ2 4.18Å; W228-W244 VanDerWaalsContact O-CZ3 3.26Å; W228-W244 WeakPolarHBondContact O-CZ3 3.45Å; R230-W244 HydrophobicContact CB-CH2 4.33Å; R230-W244 HydrophobicContact CB-CZ3 4.07Å; R230-W244 HydrophobicContact CG-CD2 4.39Å; R230-W244 HydrophobicContact CG-CE3 3.72Å; R230-W244 HydrophobicContact CG-CH2 4.06Å; R230-W244 HydrophobicContact CG-CZ3 3.52Å; R230-W244 VanDerWaalsContact NE-CD2 3.33Å; Q237-W244 HydrophobicContact CB-CE3 4.19Å; F239-W244 HydrophobicContact CB-CD2 4.07Å; F239-W244 HydrophobicContact CB-CE3 3.9Å; F239-W244 HydrophobicContact CB-CH2 3.96Å; F239-W244 HydrophobicContact CB-CZ2 4.1Å; F239-W244 HydrophobicContact CB-CZ3 3.86Å; F239-W244 AromaticContact CD2-CD1 3.77Å; F239-W244 AromaticContact CD2-CD2 3.81Å; F239-W244 HydrophobicContact CD2-CD2 3.81Å; F239-W244 AromaticContact CD2-CE2 3.6Å; F239-W244 HydrophobicContact CD2-CE3 4.5Å; F239-W244 AromaticContact CD2-CG 3.93Å; F239-W244 HydrophobicContact CD2-CG 3.93Å; F239-W244 HydrophobicContact CD2-CZ2 4.14Å; F239-W244 AromaticContact CD2-NE1 3.55Å; F239-W244 AromaticContact CE2-NE1 4Å; F239-W244 HydrophobicContact CG-CD2 4.45Å; F239-W244 HydrophobicContact CG-CZ2 4.46Å
245H83.6Confident83.8Confident65 Ų6571.5 Ų71.530%0.30137%0.372SS..EExtended strand (participates in β ladder)trans-121.2137.2-179.7-65.8-65.6000110.7Q237 Q238 E240 R243Q237-H245 CarbonylContact C-O 3.56Å; Q237-H245 WeakPolarHBondContact CA-O 3.4Å; Q238-H245 PolarHBondContact N-O 3.48Å; Q238-H245 PolarHBondContact O-N 2.93Å; E240-H245 PolarHBondContact O-CD2 2.99Å; E240-H245 VanDerWaalsContact O-CD2 3.29Å; E240-H245 PolarHBondContact O-NE2 3.02Å; R243-H245 WeakPolarHBondContact CB-NE2 3.45Å; R243-H245 PolarHBondContact O-CD2 3.41Å
246T87.3Confident84Confident73 Ų7366 Ų6645%0.44835%0.351SS..EExtended strand (participates in β ladder)trans-76.7124.2173.2-610000110.1K235K235-T246 HydrophobicContact CB-CG2 3.94Å; K235-T246 HydrophobicContact CD-CG2 3.89Å; K235-T246 HydrophobicContact CG-CG2 4.49Å
247V85.8Confident84.1Confident13 Ų1370.8 Ų70.88%0.07937%0.37CS..PPolyproline II helixtrans-81.2126.8-177.7-171.30000110.5L236 Q238 E251 Q252L236-V247 HydrophobicContact CB-CB 4.47Å; L236-V247 HydrophobicContact CD2-CB 4.37Å; L236-V247 HydrophobicContact CD2-CG2 4.28Å; L236-V247 HydrophobicContact CG-CB 4.45Å; L236-V247 HydrophobicContact CG-CG2 4.18Å; L236-V247 PolarHBondContact O-N 3.07Å; Q238-V247 HydrophobicContact CB-CG2 3.78Å; Q238-V247 HydrophobicContact CG-CG2 3.39Å; Q238-V247 VanDerWaalsContact OE1-CG2 3.31Å; V247-E251 HydrophobicContact CG1-CB 3.87Å; V247-Q252 HydrophobicContact CB-CG 4.37Å; V247-Q252 HydrophobicContact CG1-CG 3.92Å
248A84.3Confident84.3Confident40 Ų4071 Ų7133%0.33137%0.372SS..PPolyproline II helixtrans-64.5146.1173.300000111.2S250 E251 Q252A248-S250 PolarHBondContact O-N 3.3Å; A248-S250 VanDerWaalsContact O-N 3.07Å; A248-E251 HydrophobicContact CB-CG 4.49Å; A248-E251 PolarHBondContact O-N 2.95Å; A248-Q252 PolarHBondContact O-N 3.48Å
249P83.1Confident84.6Confident109 Ų10970.2 Ų70.271%0.70837%0.369SS*.G310 helixtrans-52.7-34.3-178.6-28.535.5000115E251P249-E251 VanDerWaalsContact C-N 3.26Å; P249-E251 PolarHBondContact O-N 3.22Å
250S80.7Confident84.9Confident103 Ų10369.4 Ų69.472%0.7237%0.368SS*.G310 helixtrans-70.2-18.4177.3530000114.3A248A248-S250 PolarHBondContact O-N 3.3Å; A248-S250 VanDerWaalsContact O-N 3.07Å
251E80.7Confident85.6Confident65 Ų6568.1 Ų68.130%0.30436%0.362SS..G310 helixtrans-105.7-6.2-176.8-57.3-163.9123.400112.4V247 A248 P249 Q253 K254V247-E251 HydrophobicContact CG1-CB 3.87Å; A248-E251 HydrophobicContact CB-CG 4.49Å; A248-E251 PolarHBondContact O-N 2.95Å; P249-E251 VanDerWaalsContact C-N 3.26Å; P249-E251 PolarHBondContact O-N 3.22Å; E251-Q253 PolarHBondContact O-N 2.9Å; E251-Q253 VanDerWaalsContact O-N 3.11Å; E251-K254 HydrophobicContact CB-CD 4.11Å; E251-K254 HydrophobicContact CG-CD 4.17Å; E251-K254 WeakPolarHBondContact O-CB 3.31Å; E251-K254 PolarHBondContact O-N 3.19Å; E251-K254 IonicContact OE1-NZ 3.35Å; E251-K254 PolarHBondContact OE1-NZ 3.02Å
252Q82.1Confident86.8Confident86 Ų8666.3 Ų66.340%0.40234%0.343SS..THydrogen-bonded Turntrans-63.6-18.9-179.6-67.6-179.46.600113.7L236 V247 A248L236-Q252 HydrophobicContact CD2-CB 4.46Å; L236-Q252 HydrophobicContact CD2-CG 4.16Å; V247-Q252 HydrophobicContact CB-CG 4.37Å; V247-Q252 HydrophobicContact CG1-CG 3.92Å; A248-Q252 PolarHBondContact O-N 3.48Å
253Q81.5Confident87.7Confident145 Ų14563.3 Ų63.368%0.67832%0.322SS*.THydrogen-bonded Turntrans-94.5-7.2175-65.9-166.7-30.600113.3E251 T299 Q303E251-Q253 PolarHBondContact O-N 2.9Å; E251-Q253 VanDerWaalsContact O-N 3.11Å; Q253-T299 HydrophobicContact CB-CG2 4.21Å; Q253-Q303 PolarHBondContact O-NE2 3.36Å
254K84.7Confident88.4Confident116 Ų11657.2 Ų57.250%0.50430%0.302SS..SBendtrans-72.5135.1175.9-68.3-177.6-179.8176.50109.2E251 S256E251-K254 HydrophobicContact CB-CD 4.11Å; E251-K254 HydrophobicContact CG-CD 4.17Å; E251-K254 WeakPolarHBondContact O-CB 3.31Å; E251-K254 PolarHBondContact O-N 3.19Å; E251-K254 IonicContact OE1-NZ 3.35Å; E251-K254 PolarHBondContact OE1-NZ 3.02Å; K254-S256 PolarHBondContact O-N 2.95Å
255L87.6Confident89Confident42 Ų4253.7 Ų53.722%0.2229%0.288CS..PPolyproline II helixtrans-65.5129.2172.8-174.466.1000109.3D259 L300 L304L255-D259 HydrophobicContact CD1-CB 3.35Å; L255-D259 HydrophobicContact CG-CB 4.12Å; L255-L300 HydrophobicContact CD1-CD1 3.68Å; L255-L300 HydrophobicContact CD2-CD1 3.83Å; L255-L300 HydrophobicContact CG-CD1 4.22Å; L255-L304 HydrophobicContact CD2-CD1 3.6Å
256S89.1Confident89.7Confident20 Ų2050.6 Ų50.614%0.1427%0.274CS..PPolyproline II helixtrans-71.8152.9173.478.80000110.4W228 K254 L258 D259 G260W228-S256 PolarHBondContact NE1-OG 2.77Å; K254-S256 PolarHBondContact O-N 2.95Å; S256-L258 PolarHBondContact O-N 2.76Å; S256-D259 WeakPolarHBondContact CB-OD2 3.49Å; S256-D259 PolarHBondContact O-N 2.97Å; S256-D259 WeakPolarHBondContact OG-CB 3.49Å; S256-D259 PolarHBondContact OG-N 3.41Å; S256-D259 PolarHBondContact OG-OD2 3.05Å; S256-G260 PolarHBondContact O-N 3.49Å
257K90.4Very high90.1Very high123 Ų12350.3 Ų50.354%0.53527%0.265SS..Hα-helixtrans-54.8-40.9176.1-67.9173-172.8140.40111.3E240 G260 Q261 E390E240-K257 IonicContact OE1-NZ 2.97Å; E240-K257 PolarHBondContact OE1-NZ 3.08Å; K257-G260 WeakPolarHBondContact O-CA 3.31Å; K257-G260 PolarHBondContact O-N 3.45Å; K257-Q261 WeakPolarHBondContact O-CG 3.36Å; K257-Q261 PolarHBondContact O-N 3.16Å; K257-E390 IonicContact NZ-OE1 3.83Å; K257-E390 PolarHBondContact NZ-OE1 2.86Å
258L93.2Very high90.6Very high26 Ų2651 Ų5114%0.13627%0.268CS..Hα-helixtrans-67.3-43.7-179.6-67.2166.8000112.2L185 L188 W228 S256 G260 Q261 V262L185-L258 HydrophobicContact CB-CD2 4.24Å; L185-L258 HydrophobicContact CD1-CD1 4.05Å; L185-L258 HydrophobicContact CD2-CD1 4.05Å; L185-L258 HydrophobicContact CD2-CD2 4.3Å; L188-L258 HydrophobicContact CD2-CD2 4.34Å; W228-L258 HydrophobicContact CB-CD1 3.43Å; W228-L258 VanDerWaalsContact CB-CD1 3.43Å; W228-L258 HydrophobicContact CD2-CB 3.62Å; W228-L258 HydrophobicContact CD2-CD1 3.7Å; W228-L258 HydrophobicContact CD2-CG 4.27Å; W228-L258 HydrophobicContact CE3-CB 4.05Å; W228-L258 HydrophobicContact CE3-CD1 3.98Å; W228-L258 HydrophobicContact CE3-CG 4.5Å; W228-L258 HydrophobicContact CG-CB 3.96Å; W228-L258 HydrophobicContact CG-CD1 3.46Å; W228-L258 VanDerWaalsContact CG-CD1 3.46Å; W228-L258 HydrophobicContact CG-CG 4.36Å; W228-L258 HydrophobicContact CH2-CB 4.4Å; W228-L258 HydrophobicContact CZ2-CB 4.01Å; W228-L258 HydrophobicContact CZ3-CB 4.41Å; S256-L258 PolarHBondContact O-N 2.76Å; L258-G260 PolarHBondContact O-N 2.91Å; L258-Q261 WeakPolarHBondContact O-CB 3.32Å; L258-Q261 PolarHBondContact O-N 2.71Å; L258-Q261 VanDerWaalsContact O-N 3.09Å; L258-V262 PolarHBondContact O-N 3.11Å; L258-V262 VanDerWaalsContact O-N 3.15Å
259D93.6Very high91.2Very high16 Ų1649.1 Ų49.19%0.08625%0.253CS..Hα-helixtrans-59.8-39.4172.7-62.3-41.8000110.6L223 W228 L255 S256 Q261 V262 W263L223-D259 HydrophobicContact CD2-CB 4.42Å; W228-D259 VanDerWaalsContact CZ2-OD1 3.3Å; W228-D259 WeakPolarHBondContact CZ2-OD1 3.32Å; W228-D259 PolarHBondContact NE1-OD1 3.43Å; L255-D259 HydrophobicContact CD1-CB 3.35Å; L255-D259 HydrophobicContact CG-CB 4.12Å; S256-D259 WeakPolarHBondContact CB-OD2 3.49Å; S256-D259 PolarHBondContact O-N 2.97Å; S256-D259 WeakPolarHBondContact OG-CB 3.49Å; S256-D259 PolarHBondContact OG-N 3.41Å; S256-D259 PolarHBondContact OG-OD2 3.05Å; D259-Q261 PolarHBondContact O-N 2.95Å; D259-V262 PolarHBondContact O-N 2.91Å; D259-W263 PolarHBondContact O-N 3.14Å
260G95.3Very high91.8Very high8 Ų844 Ų448%0.08222%0.219CC..Hα-helixtrans-56.6-45.1172.300000113.1S256 K257 L258 V262 W263 I264S256-G260 PolarHBondContact O-N 3.49Å; K257-G260 WeakPolarHBondContact O-CA 3.31Å; K257-G260 PolarHBondContact O-N 3.45Å; L258-G260 PolarHBondContact O-N 2.91Å; G260-V262 VanDerWaalsContact C-N 3.31Å; G260-V262 PolarHBondContact O-N 2.98Å; G260-W263 PolarHBondContact O-N 3.45Å; G260-I264 WeakPolarHBondContact O-CD1 3.37Å; G260-I264 VanDerWaalsContact O-CG1 3.25Å; G260-I264 WeakPolarHBondContact O-CG1 3.2Å; G260-I264 PolarHBondContact O-N 3.47Å
261Q95.9Very high92.5Very high24 Ų2440.9 Ų40.911%0.11219%0.194CC..Hα-helixtrans-57.2-45.4175.3-57-62-0.100111.3L188 R192 K257 L258 D259 A265L188-Q261 HydrophobicContact CD2-CB 4.28Å; L188-Q261 HydrophobicContact CG-CB 4.14Å; R192-Q261 HydrophobicContact CB-CB 4.43Å; R192-Q261 WeakPolarHBondContact CG-O 3.49Å; K257-Q261 WeakPolarHBondContact O-CG 3.36Å; K257-Q261 PolarHBondContact O-N 3.16Å; L258-Q261 WeakPolarHBondContact O-CB 3.32Å; L258-Q261 PolarHBondContact O-N 2.71Å; L258-Q261 VanDerWaalsContact O-N 3.09Å; D259-Q261 PolarHBondContact O-N 2.95Å; Q261-A265 WeakPolarHBondContact O-CB 3.38Å; Q261-A265 PolarHBondContact O-N 2.71Å
262V97.8Very high93.1Very high0 Ų038.4 Ų38.40%018%0.184CC..Hα-helixtrans-65.3-44.2-179.8-174.10000111.6L188 L219 L222 L223 W228 L258 D259 G260 A265 L266L188-V262 HydrophobicContact CD1-CG2 4.09Å; L188-V262 HydrophobicContact CD2-CG2 3.8Å; L219-V262 HydrophobicContact CB-CG1 3.79Å; L219-V262 HydrophobicContact CD2-CG1 3.89Å; L219-V262 HydrophobicContact CG-CG1 4.38Å; L219-V262 VanDerWaalsContact O-CG1 3.31Å; L219-V262 WeakPolarHBondContact O-CG1 3.36Å; L222-V262 HydrophobicContact CB-CG2 4.49Å; L223-V262 HydrophobicContact CD1-CG1 3.95Å; L223-V262 HydrophobicContact CD2-CB 4.02Å; L223-V262 HydrophobicContact CD2-CG1 4.05Å; L223-V262 HydrophobicContact CG-CB 4.17Å; L223-V262 HydrophobicContact CG-CG1 3.62Å; W228-V262 HydrophobicContact CH2-CG2 3.65Å; W228-V262 HydrophobicContact CZ2-CG2 4.05Å; L258-V262 PolarHBondContact O-N 3.11Å; L258-V262 VanDerWaalsContact O-N 3.15Å; D259-V262 PolarHBondContact O-N 2.91Å; G260-V262 VanDerWaalsContact C-N 3.31Å; G260-V262 PolarHBondContact O-N 2.98Å; V262-A265 PolarHBondContact O-N 3.39Å; V262-L266 HydrophobicContact CG1-CD1 4.09Å; V262-L266 WeakPolarHBondContact O-CB 3.42Å; V262-L266 WeakPolarHBondContact O-CG 3.41Å; V262-L266 PolarHBondContact O-N 3.09Å
263W97.8Very high93.6Very high6 Ų638.6 Ų38.62%0.02319%0.193CC..Hα-helixtrans-63.5-41.6179.1-81.4119.2000113L223 D259 G260 L266 Y267 L292 F295 L296 L300 L307 L310L223-W263 HydrophobicContact CD1-CD2 3.99Å; L223-W263 HydrophobicContact CD1-CE3 4.23Å; L223-W263 HydrophobicContact CD1-CH2 3.95Å; L223-W263 HydrophobicContact CD1-CZ2 3.68Å; L223-W263 HydrophobicContact CD1-CZ3 4.21Å; D259-W263 PolarHBondContact O-N 3.14Å; G260-W263 PolarHBondContact O-N 3.45Å; W263-L266 HydrophobicContact CE3-CD1 4.17Å; W263-L266 HydrophobicContact CZ3-CD1 4.35Å; W263-L266 PolarHBondContact O-N 2.59Å; W263-Y267 WeakPolarHBondContact O-CB 3.41Å; W263-Y267 PolarHBondContact O-N 2.96Å; W263-L292 HydrophobicContact CH2-CB 4.19Å; W263-L292 HydrophobicContact CH2-CD2 3.77Å; W263-L292 HydrophobicContact CZ3-CB 4.38Å; W263-L292 HydrophobicContact CZ3-CD1 4.48Å; W263-L292 HydrophobicContact CZ3-CD2 3.9Å; W263-L292 HydrophobicContact CZ3-CG 4.49Å; W263-F295 HydrophobicContact CH2-CB 4.06Å; W263-F295 HydrophobicContact CZ2-CB 3.7Å; W263-L296 HydrophobicContact CH2-CD2 3.9Å; W263-L296 HydrophobicContact CH2-CG 3.88Å; W263-L296 HydrophobicContact CZ2-CD2 4.5Å; W263-L296 HydrophobicContact CZ3-CD2 3.92Å; W263-L296 HydrophobicContact CZ3-CG 4.2Å; W263-L300 HydrophobicContact CD2-CD2 4.37Å; W263-L300 HydrophobicContact CH2-CD2 4.4Å; W263-L300 HydrophobicContact CZ2-CD2 3.6Å; W263-L307 HydrophobicContact CB-CD1 4.02Å; W263-L307 HydrophobicContact CB-CD2 4.2Å; W263-L307 HydrophobicContact CD2-CD1 3.85Å; W263-L307 HydrophobicContact CE3-CD1 4.04Å; W263-L307 HydrophobicContact CE3-CD2 4.19Å; W263-L307 HydrophobicContact CG-CD1 3.85Å; W263-L310 HydrophobicContact CE3-CD2 3.92Å; W263-L310 HydrophobicContact CZ3-CD2 3.82Å
264I96.9Very high94.1Very high48 Ų4835.5 Ų35.525%0.24618%0.179CC..Hα-helixtrans-66.9-43.8177.1-64.8165.1000110R192 G260 L266 Y267 N268 L304R192-I264 HydrophobicContact CG-CB 4.18Å; R192-I264 HydrophobicContact CG-CG2 4.08Å; G260-I264 WeakPolarHBondContact O-CD1 3.37Å; G260-I264 VanDerWaalsContact O-CG1 3.25Å; G260-I264 WeakPolarHBondContact O-CG1 3.2Å; G260-I264 PolarHBondContact O-N 3.47Å; I264-L266 VanDerWaalsContact C-N 3.34Å; I264-L266 PolarHBondContact O-N 2.83Å; I264-Y267 WeakPolarHBondContact O-CB 3.39Å; I264-Y267 PolarHBondContact O-N 3.2Å; I264-Y267 VanDerWaalsContact O-N 3.16Å; I264-N268 VanDerWaalsContact O-CG 3.28Å; I264-N268 PolarHBondContact O-N 3.46Å; I264-N268 PolarHBondContact O-ND2 2.99Å; I264-L304 HydrophobicContact CG1-CD2 4.19Å
265A97.9Very high94.4Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-60-42.6175.800000112.4R192 T195 L219 Q261 V262 N268 L269R192-A265 HydrophobicContact CB-CB 4.29Å; R192-A265 HydrophobicContact CG-CB 4.13Å; T195-A265 HydrophobicContact CG2-CB 4.21Å; L219-A265 HydrophobicContact CD1-CB 3.75Å; L219-A265 HydrophobicContact CD2-CB 4.32Å; Q261-A265 WeakPolarHBondContact O-CB 3.38Å; Q261-A265 PolarHBondContact O-N 2.71Å; V262-A265 PolarHBondContact O-N 3.39Å; A265-N268 PolarHBondContact O-N 3.01Å; A265-L269 WeakPolarHBondContact O-CB 3.32Å; A265-L269 WeakPolarHBondContact O-CG 3.36Å; A265-L269 PolarHBondContact O-N 3.09Å
266L97.9Very high94.5Very high0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-62.8-43.7173.7-79168.7000112P216 L219 L223 V262 W263 I264 L270 L292P216-L266 HydrophobicContact CB-CD2 4.37Å; L219-L266 HydrophobicContact CB-CD1 4.28Å; L219-L266 HydrophobicContact CB-CD2 3.74Å; L219-L266 HydrophobicContact CB-CG 3.81Å; L219-L266 HydrophobicContact CD1-CD2 4.15Å; L219-L266 HydrophobicContact CD1-CG 4.1Å; L223-L266 HydrophobicContact CD1-CD1 3.64Å; V262-L266 HydrophobicContact CG1-CD1 4.09Å; V262-L266 WeakPolarHBondContact O-CB 3.42Å; V262-L266 WeakPolarHBondContact O-CG 3.41Å; V262-L266 PolarHBondContact O-N 3.09Å; W263-L266 HydrophobicContact CE3-CD1 4.17Å; W263-L266 HydrophobicContact CZ3-CD1 4.35Å; W263-L266 PolarHBondContact O-N 2.59Å; I264-L266 VanDerWaalsContact C-N 3.34Å; I264-L266 PolarHBondContact O-N 2.83Å; L266-L270 HydrophobicContact CB-CD1 4.45Å; L266-L270 HydrophobicContact CD2-CD1 4.1Å; L266-L270 WeakPolarHBondContact O-CB 3.44Å; L266-L270 VanDerWaalsContact O-CG 3.25Å; L266-L270 WeakPolarHBondContact O-CG 3.34Å; L266-L270 PolarHBondContact O-N 3.3Å; L266-L292 HydrophobicContact CD1-CD1 4.08Å; L266-L292 HydrophobicContact CD1-CD2 3.85Å; L266-L292 HydrophobicContact CD2-CD1 4.41Å
267Y97.1Very high94.5Very high66 Ų6635.5 Ų35.526%0.25919%0.192SC..Hα-helixtrans-57.1-50.9176.8176.5-82.6000110.6W263 I264 L270 L271 N306 L307 H309W263-Y267 WeakPolarHBondContact O-CB 3.41Å; W263-Y267 PolarHBondContact O-N 2.96Å; I264-Y267 WeakPolarHBondContact O-CB 3.39Å; I264-Y267 PolarHBondContact O-N 3.2Å; I264-Y267 VanDerWaalsContact O-N 3.16Å; Y267-L270 PolarHBondContact O-N 2.78Å; Y267-L271 HydrophobicContact CD2-CD1 3.46Å; Y267-L271 VanDerWaalsContact CD2-CD1 3.46Å; Y267-L271 HydrophobicContact CD2-CG 4.49Å; Y267-L271 HydrophobicContact CE2-CD1 3.35Å; Y267-L271 HydrophobicContact CG-CD1 4.13Å; Y267-L271 VanDerWaalsContact O-CB 3.27Å; Y267-L271 WeakPolarHBondContact O-CB 3.34Å; Y267-L271 PolarHBondContact O-N 2.98Å; Y267-N306 HydrophobicContact CE2-CB 4.3Å; Y267-N306 VanDerWaalsContact CE2-O 3.26Å; Y267-N306 WeakPolarHBondContact CE2-O 3.37Å; Y267-L307 HydrophobicContact CD2-CD2 4.41Å; Y267-H309 HydrophobicContact CE2-CB 4.31Å
268N96.1Very high94.2Very high27 Ų2734.6 Ų34.614%0.14419%0.185CC..Hα-helixtrans-61.4-48.7-178.9-66.8-19.5000111.9T195 D196 I264 A265 L270 S272T195-N268 WeakPolarHBondContact O-CB 3.46Å; T195-N268 PolarHBondContact O-ND2 3.38Å; T195-N268 PolarHBondContact OG1-ND2 3.24Å; D196-N268 PolarHBondContact OD1-ND2 2.98Å; I264-N268 VanDerWaalsContact O-CG 3.28Å; I264-N268 PolarHBondContact O-N 3.46Å; I264-N268 PolarHBondContact O-ND2 2.99Å; A265-N268 PolarHBondContact O-N 3.01Å; N268-L270 PolarHBondContact O-N 2.97Å; N268-S272 WeakPolarHBondContact O-CB 2.99Å; N268-S272 PolarHBondContact O-N 3.05Å; N268-S272 VanDerWaalsContact O-N 3.14Å
269L96.5Very high94.1Very high1 Ų134.3 Ų34.31%0.00518%0.182CC..Hα-helixtrans-72.1-25.9-176.6-68.4176.2000114.2T195 V198 M209 L210 L215 P216 L219 A265 A275T195-L269 HydrophobicContact CG2-CD1 3.98Å; T195-L269 HydrophobicContact CG2-CD2 4.02Å; T195-L269 HydrophobicContact CG2-CG 3.83Å; V198-L269 HydrophobicContact CG2-CD2 4.12Å; M209-L269 HydrophobicContact CE-CD2 3.95Å; L210-L269 HydrophobicContact CD2-CB 4.35Å; L210-L269 HydrophobicContact CD2-CD2 4.12Å; L215-L269 HydrophobicContact CB-CD1 3.98Å; P216-L269 HydrophobicContact CG-CB 4.27Å; P216-L269 HydrophobicContact CG-CD1 4.34Å; L219-L269 HydrophobicContact CD1-CD1 4.01Å; A265-L269 WeakPolarHBondContact O-CB 3.32Å; A265-L269 WeakPolarHBondContact O-CG 3.36Å; A265-L269 PolarHBondContact O-N 3.09Å; L269-A275 WeakPolarHBondContact O-CB 3.18Å
270L95.6Very high93.7Very high2 Ų235.8 Ų35.81%0.0119%0.193CC..Hα-helixtrans-98.5-23-177.1-64.9173.5000113.4P216 L266 Y267 N268 Q276 Y279 L289 L310 F313P216-L270 HydrophobicContact CB-CD2 4.04Å; P216-L270 HydrophobicContact CG-CD2 4.28Å; L266-L270 HydrophobicContact CB-CD1 4.45Å; L266-L270 HydrophobicContact CD2-CD1 4.1Å; L266-L270 WeakPolarHBondContact O-CB 3.44Å; L266-L270 VanDerWaalsContact O-CG 3.25Å; L266-L270 WeakPolarHBondContact O-CG 3.34Å; L266-L270 PolarHBondContact O-N 3.3Å; Y267-L270 PolarHBondContact O-N 2.78Å; N268-L270 PolarHBondContact O-N 2.97Å; L270-Q276 WeakPolarHBondContact O-CG 3.34Å; L270-Q276 PolarHBondContact O-NE2 3.46Å; L270-Y279 HydrophobicContact CD2-CD1 4.31Å; L270-Y279 HydrophobicContact CD2-CE1 4.09Å; L270-L289 HydrophobicContact CD1-CD2 3.86Å; L270-L289 HydrophobicContact CD2-CD1 3.83Å; L270-L289 HydrophobicContact CD2-CD2 4.15Å; L270-L310 HydrophobicContact CB-CD1 4.12Å; L270-L310 HydrophobicContact CD1-CD1 3.76Å; L270-F313 HydrophobicContact CB-CE1 4.18Å; L270-F313 HydrophobicContact CD2-CE1 4.37Å
271L94.8Very high93.3Very high37 Ų3737.7 Ų37.719%0.19420%0.201CC..Hα-helixtrans-111.6-13.4-175-56.6-175.3000114.5Y267 H309 L310 F313Y267-L271 HydrophobicContact CD2-CD1 3.46Å; Y267-L271 VanDerWaalsContact CD2-CD1 3.46Å; Y267-L271 HydrophobicContact CD2-CG 4.49Å; Y267-L271 HydrophobicContact CE2-CD1 3.35Å; Y267-L271 HydrophobicContact CG-CD1 4.13Å; Y267-L271 VanDerWaalsContact O-CB 3.27Å; Y267-L271 WeakPolarHBondContact O-CB 3.34Å; Y267-L271 PolarHBondContact O-N 2.98Å; L271-H309 HydrophobicContact CD1-CB 3.78Å; L271-L310 HydrophobicContact CD1-CB 4.26Å; L271-L310 HydrophobicContact CD2-CD1 4.49Å; L271-F313 HydrophobicContact CD2-CB 3.57Å; L271-F313 HydrophobicContact CD2-CD1 4.38Å; L271-F313 HydrophobicContact CD2-CD2 4Å; L271-F313 HydrophobicContact CD2-CG 3.73Å
272S94.2Very high93.1Very high14 Ų1438.7 Ų38.710%0.09821%0.209CC..  trans-64.7132.8170159.80000110.6V198 N268 E274 A275 Q276V198-S272 WeakPolarHBondContact CG1-OG 3.49Å; N268-S272 WeakPolarHBondContact O-CB 2.99Å; N268-S272 PolarHBondContact O-N 3.05Å; N268-S272 VanDerWaalsContact O-N 3.14Å; S272-E274 VanDerWaalsContact C-N 3.29Å; S272-E274 PolarHBondContact O-N 2.67Å; S272-E274 PolarHBondContact OG-N 3.34Å; S272-E274 PolarHBondContact OG-OE2 2.7Å; S272-A275 PolarHBondContact O-N 2.65Å; S272-A275 PolarHBondContact OG-N 3.14Å; S272-Q276 WeakPolarHBondContact O-CB 3.37Å; S272-Q276 WeakPolarHBondContact O-CG 3.48Å; S272-Q276 PolarHBondContact O-N 3.47Å
273P91.9Very high92.7Very high89 Ų8943 Ų4358%0.57824%0.239SC*.Hα-helixtrans-55.4-41.4174.1-2533.7000113.5Q276 A277P273-Q276 PolarHBondContact O-N 3.12Å; P273-A277 WeakPolarHBondContact O-CB 3.12Å; P273-A277 PolarHBondContact O-N 2.91Å
274E91.2Very high92.4Very high81 Ų8148.7 Ų48.738%0.37926%0.264SS..Hα-helixtrans-62.8-44.4-179.4-6867.7-154.600110.3V198 L206 S272V198-E274 HydrophobicContact CG1-CB 4.29Å; L206-E274 HydrophobicContact CD1-CB 4.22Å; S272-E274 VanDerWaalsContact C-N 3.29Å; S272-E274 PolarHBondContact O-N 2.67Å; S272-E274 PolarHBondContact OG-N 3.34Å; S272-E274 PolarHBondContact OG-OE2 2.7Å
275A91.4Very high92.3Very high0 Ų046.4 Ų46.40%025%0.252CS..Hα-helixtrans-70.6-44.2177.300000112.1V198 L210 L269 S272 A277 R278 Y279V198-A275 HydrophobicContact CG1-CB 4.24Å; L210-A275 HydrophobicContact CD1-CB 3.87Å; L210-A275 WeakPolarHBondContact CD1-O 3.43Å; L269-A275 WeakPolarHBondContact O-CB 3.18Å; S272-A275 PolarHBondContact O-N 2.65Å; S272-A275 PolarHBondContact OG-N 3.14Å; A275-A277 VanDerWaalsContact C-N 3.31Å; A275-A277 PolarHBondContact O-N 3.29Å; A275-R278 PolarHBondContact O-N 2.88Å; A275-Y279 WeakPolarHBondContact O-CB 3.4Å; A275-Y279 PolarHBondContact O-N 3.1Å
276Q90.3Very high92.1Very high93 Ų9348.1 Ų48.144%0.43526%0.26SS..Hα-helixtrans-61.4-37.5178.1-76.6-174.62.100112.9L270 S272 P273 R278L270-Q276 WeakPolarHBondContact O-CG 3.34Å; L270-Q276 PolarHBondContact O-NE2 3.46Å; S272-Q276 WeakPolarHBondContact O-CB 3.37Å; S272-Q276 WeakPolarHBondContact O-CG 3.48Å; S272-Q276 PolarHBondContact O-N 3.47Å; P273-Q276 PolarHBondContact O-N 3.12Å; Q276-R278 PolarHBondContact O-N 3.23Å
277A88.1Confident92Very high85 Ų8550 Ų5070%0.70228%0.28SS*.THydrogen-bonded Turntrans-62.7-22177.400000112.8P273 A275P273-A277 WeakPolarHBondContact O-CB 3.12Å; P273-A277 PolarHBondContact O-N 2.91Å; A275-A277 VanDerWaalsContact C-N 3.31Å; A275-A277 PolarHBondContact O-N 3.29Å
278R85.1Confident91.9Very high103 Ų10347.9 Ų47.939%0.38927%0.272SS..THydrogen-bonded Turntrans-108.5-31-175.6-64.5-60.5-173.3176.92113.8L203 L210 A275 Q276 C280L203-R278 VanDerWaalsContact CD1-NE 3.27Å; L203-R278 VanDerWaalsContact CD1-NH2 3.26Å; L210-R278 HydrophobicContact CD1-CB 4.12Å; A275-R278 PolarHBondContact O-N 2.88Å; Q276-R278 PolarHBondContact O-N 3.23Å; R278-C280 PolarHBondContact O-N 3.03Å; R278-C280 VanDerWaalsContact O-N 3.15Å
279Y89.8Confident91.9Very high21 Ų2146.6 Ų46.68%0.08227%0.265CS..  trans-69.6114.7-171.9-174.1-124.8000112L210 N214 P216 L270 A275 L281 L289L210-Y279 HydrophobicContact CB-CD2 4.02Å; L210-Y279 HydrophobicContact CD2-CD2 3.97Å; L210-Y279 HydrophobicContact CD2-CG 4.34Å; N214-Y279 PolarHBondContact OD1-OH 3.01Å; N214-Y279 VanDerWaalsContact OD1-OH 3.09Å; P216-Y279 HydrophobicContact CB-CE2 4.44Å; P216-Y279 HydrophobicContact CG-CD2 4.45Å; P216-Y279 HydrophobicContact CG-CE2 3.92Å; L270-Y279 HydrophobicContact CD2-CD1 4.31Å; L270-Y279 HydrophobicContact CD2-CE1 4.09Å; A275-Y279 WeakPolarHBondContact O-CB 3.4Å; A275-Y279 PolarHBondContact O-N 3.1Å; Y279-L281 HydrophobicContact CD1-CD2 3.85Å; Y279-L281 HydrophobicContact CD1-CG 4.09Å; Y279-L281 HydrophobicContact CE1-CD2 3.54Å; Y279-L281 HydrophobicContact CE1-CG 4.24Å; Y279-L281 PolarHBondContact O-N 3.12Å; Y279-L289 HydrophobicContact CE1-CD1 3.78Å
280C86.7Confident92Very high46 Ų4648.6 Ų48.631%0.31128%0.276SS..  trans-79.9101.9179.2-179.30000111.4R278 T282 P325R278-C280 PolarHBondContact O-N 3.03Å; R278-C280 VanDerWaalsContact O-N 3.15Å; C280-T282 VanDerWaalsContact C-N 3.34Å; C280-T282 PolarHBondContact O-N 3.11Å; C280-P325 VanDerWaalsContact SG-CA 3.59Å
281L87.1Confident92Very high48 Ų4851.7 Ų51.725%0.25129%0.289SS..  trans-73.581175.9-73.2167.1000112.7Y279 L289 L317 T322Y279-L281 HydrophobicContact CD1-CD2 3.85Å; Y279-L281 HydrophobicContact CD1-CG 4.09Å; Y279-L281 HydrophobicContact CE1-CD2 3.54Å; Y279-L281 HydrophobicContact CE1-CG 4.24Å; Y279-L281 PolarHBondContact O-N 3.12Å; L281-L289 HydrophobicContact CD2-CD1 3.92Å; L281-L317 HydrophobicContact CD1-CD1 3.66Å; L281-L317 HydrophobicContact CD2-CD1 3.91Å; L281-L317 HydrophobicContact CD2-CD2 4.36Å; L281-L317 HydrophobicContact CG-CD1 4.33Å; L281-T322 WeakPolarHBondContact O-CB 3.25Å
282T90.4Very high92.1Very high45 Ų4550 Ų5028%0.27628%0.28SS..  trans-69.8164.2169.666.40000111.8C280 F284 A285 K286C280-T282 VanDerWaalsContact C-N 3.34Å; C280-T282 PolarHBondContact O-N 3.11Å; T282-F284 VanDerWaalsContact C-N 3.27Å; T282-F284 PolarHBondContact O-N 2.61Å; T282-A285 PolarHBondContact O-N 2.87Å; T282-A285 WeakPolarHBondContact OG1-CB 3.4Å; T282-A285 PolarHBondContact OG1-N 3.4Å; T282-A285 VanDerWaalsContact OG1-N 3.11Å; T282-K286 WeakPolarHBondContact O-CB 3.15Å; T282-K286 PolarHBondContact O-N 3.24Å
283S90.3Very high92.1Very high92 Ų9256.2 Ų56.264%0.64330%0.302SS*.Hα-helixtrans-57.2-39.6173.354.90000112.8G287S283-G287 PolarHBondContact O-N 3.36Å
284F92.3Very high92.2Very high124 Ų12455.9 Ų55.954%0.54431%0.306SS..Hα-helixtrans-63-52.9174.1173.4-98.5000111.7T282 K286 G287 Q288T282-F284 VanDerWaalsContact C-N 3.27Å; T282-F284 PolarHBondContact O-N 2.61Å; F284-K286 VanDerWaalsContact C-N 3.33Å; F284-K286 PolarHBondContact O-N 3.43Å; F284-G287 PolarHBondContact O-N 3.26Å; F284-G287 VanDerWaalsContact O-N 3.11Å; F284-Q288 HydrophobicContact CD1-CG 4.48Å; F284-Q288 HydrophobicContact CE1-CG 4Å; F284-Q288 HydrophobicContact CE2-CG 4.06Å; F284-Q288 HydrophobicContact CZ-CG 3.77Å; F284-Q288 PolarHBondContact O-N 2.92Å
285A92.8Very high92.2Very high0 Ų055.5 Ų55.50%030%0.304CS..Hα-helixtrans-60.6-42.7-179.400000111.9T282 G287 Q288 L289T282-A285 PolarHBondContact O-N 2.87Å; T282-A285 WeakPolarHBondContact OG1-CB 3.4Å; T282-A285 PolarHBondContact OG1-N 3.4Å; T282-A285 VanDerWaalsContact OG1-N 3.11Å; A285-G287 PolarHBondContact O-N 3.33Å; A285-Q288 PolarHBondContact O-N 3.48Å; A285-L289 WeakPolarHBondContact O-CB 3.39Å; A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.21Å; A285-L289 PolarHBondContact O-N 3.12Å
286K94.6Very high92.3Very high36 Ų3656 Ų5616%0.15731%0.306CS..Hα-helixtrans-58-47.7173.2176.4175.7174.7172.60111.3T282 F284 Q288 L289 L290 L317 A318 T320 T322T282-K286 WeakPolarHBondContact O-CB 3.15Å; T282-K286 PolarHBondContact O-N 3.24Å; F284-K286 VanDerWaalsContact C-N 3.33Å; F284-K286 PolarHBondContact O-N 3.43Å; K286-Q288 VanDerWaalsContact C-N 3.32Å; K286-Q288 PolarHBondContact O-N 3.14Å; K286-L289 PolarHBondContact O-N 3.03Å; K286-L290 HydrophobicContact CG-CD1 3.86Å; K286-L290 HydrophobicContact CG-CG 4.36Å; K286-L290 WeakPolarHBondContact O-CB 3.33Å; K286-L290 VanDerWaalsContact O-CG 3.24Å; K286-L290 WeakPolarHBondContact O-CG 3.45Å; K286-L290 PolarHBondContact O-N 3.28Å; K286-L317 WeakPolarHBondContact CE-O 3.39Å; K286-L317 HydrophobicContact CG-CD1 4.34Å; K286-L317 HydrophobicContact CG-CG 4.22Å; K286-L317 PolarHBondContact NZ-O 2.68Å; K286-A318 PolarHBondContact NZ-O 3.05Å; K286-T320 PolarHBondContact NZ-O 3.43Å; K286-T322 HydrophobicContact CB-CG2 3.88Å; K286-T322 HydrophobicContact CD-CG2 3.55Å; K286-T322 HydrophobicContact CG-CG2 4.32Å
287G95.1Very high92.4Very high41 Ų4155 Ų5542%0.42331%0.307SS..Hα-helixtrans-58.2-44.2178.500000112.5S283 F284 A285S283-G287 PolarHBondContact O-N 3.36Å; F284-G287 PolarHBondContact O-N 3.26Å; F284-G287 VanDerWaalsContact O-N 3.11Å; A285-G287 PolarHBondContact O-N 3.33Å
288Q95.8Very high92.5Very high20 Ų2057 Ų579%0.09331%0.305CS..Hα-helixtrans-64-51.9176.9-75.1-67-2.700112.4C217 E221 F284 A285 K286 L290 K291C217-Q288 HydrophobicContact CB-CB 4.46Å; E221-Q288 VanDerWaalsContact OE1-CD 3.27Å; E221-Q288 PolarHBondContact OE1-NE2 3.15Å; E221-Q288 PolarHBondContact OE1-OE1 3.01Å; E221-Q288 VanDerWaalsContact OE1-OE1 3.05Å; F284-Q288 HydrophobicContact CD1-CG 4.48Å; F284-Q288 HydrophobicContact CE1-CG 4Å; F284-Q288 HydrophobicContact CE2-CG 4.06Å; F284-Q288 HydrophobicContact CZ-CG 3.77Å; F284-Q288 PolarHBondContact O-N 2.92Å; A285-Q288 PolarHBondContact O-N 3.48Å; K286-Q288 VanDerWaalsContact C-N 3.32Å; K286-Q288 PolarHBondContact O-N 3.14Å; Q288-L290 VanDerWaalsContact C-N 3.25Å; Q288-L290 PolarHBondContact O-N 2.85Å; Q288-K291 VanDerWaalsContact O-CB 3.27Å; Q288-K291 WeakPolarHBondContact O-CB 3.36Å; Q288-K291 WeakPolarHBondContact O-CG 3.42Å; Q288-K291 PolarHBondContact O-N 3.41Å
289L96.9Very high92.8Very high0 Ų054.6 Ų54.60%030%0.302CS..Hα-helixtrans-60.9-34.5-179.6-69.8179.2000112.9P216 V220 L270 Y279 L281 A285 K286 K291 L292 L314 L317P216-L289 HydrophobicContact CB-CD2 4.05Å; V220-L289 HydrophobicContact CG2-CD2 3.99Å; L270-L289 HydrophobicContact CD1-CD2 3.86Å; L270-L289 HydrophobicContact CD2-CD1 3.83Å; L270-L289 HydrophobicContact CD2-CD2 4.15Å; Y279-L289 HydrophobicContact CE1-CD1 3.78Å; L281-L289 HydrophobicContact CD2-CD1 3.92Å; A285-L289 WeakPolarHBondContact O-CB 3.39Å; A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.21Å; A285-L289 PolarHBondContact O-N 3.12Å; K286-L289 PolarHBondContact O-N 3.03Å; L289-K291 PolarHBondContact O-N 2.96Å; L289-L292 HydrophobicContact CD2-CD1 4.2Å; L289-L292 VanDerWaalsContact O-CB 3.22Å; L289-L292 WeakPolarHBondContact O-CB 3.45Å; L289-L292 WeakPolarHBondContact O-CG 3.12Å; L289-L292 PolarHBondContact O-N 3.11Å; L289-L292 VanDerWaalsContact O-N 3.14Å; L289-L314 HydrophobicContact CB-CD2 4.17Å; L289-L314 WeakPolarHBondContact O-CD2 3.5Å; L289-L317 HydrophobicContact CB-CD2 4.01Å; L289-L317 HydrophobicContact CD1-CD2 4.05Å
290L96.9Very high92.9Very high43 Ų4354.2 Ų54.223%0.22530%0.301CS..Hα-helixtrans-68-17.6178.6-72.2175.2000113.5K286 Q288 L292 R293 L314 A318K286-L290 HydrophobicContact CG-CD1 3.86Å; K286-L290 HydrophobicContact CG-CG 4.36Å; K286-L290 WeakPolarHBondContact O-CB 3.33Å; K286-L290 VanDerWaalsContact O-CG 3.24Å; K286-L290 WeakPolarHBondContact O-CG 3.45Å; K286-L290 PolarHBondContact O-N 3.28Å; Q288-L290 VanDerWaalsContact C-N 3.25Å; Q288-L290 PolarHBondContact O-N 2.85Å; L290-L292 PolarHBondContact O-N 3.45Å; L290-R293 WeakPolarHBondContact O-CB 3.15Å; L290-R293 WeakPolarHBondContact O-CG 3.43Å; L290-R293 PolarHBondContact O-N 3.37Å; L290-L314 WeakPolarHBondContact CD2-O 3.25Å; L290-A318 HydrophobicContact CD1-CB 4.47Å; L290-A318 HydrophobicContact CD2-CB 3.88Å
291K96.7Very high93.2Very high68 Ų6853.1 Ų53.130%0.29629%0.292SS..Hα-helixtrans-62.5-30.4171.8-55.3-170.7-166.1162.30112V220 E221 E224 Q288 L289 R293 A294 F295V220-K291 HydrophobicContact CG1-CB 4.34Å; E221-K291 IonicContact OE1-NZ 2.79Å; E221-K291 PolarHBondContact OE1-NZ 3.39Å; E224-K291 VanDerWaalsContact CD-CD 3.47Å; E224-K291 WeakPolarHBondContact OE1-CD 3.4Å; E224-K291 IonicContact OE1-NZ 2.6Å; E224-K291 WeakPolarHBondContact OE2-CD 3.24Å; E224-K291 IonicContact OE2-NZ 2.66Å; E224-K291 PolarHBondContact OE2-NZ 3.15Å; Q288-K291 VanDerWaalsContact O-CB 3.27Å; Q288-K291 WeakPolarHBondContact O-CB 3.36Å; Q288-K291 WeakPolarHBondContact O-CG 3.42Å; Q288-K291 PolarHBondContact O-N 3.41Å; L289-K291 PolarHBondContact O-N 2.96Å; K291-R293 PolarHBondContact O-N 3.2Å; K291-A294 WeakPolarHBondContact O-CB 3.22Å; K291-A294 PolarHBondContact O-N 3.29Å; K291-F295 WeakPolarHBondContact O-CD2 3.28Å
292L96.1Very high93.4Very high0 Ų057.1 Ų57.10%031%0.314CS..G310 helixtrans-55-27.4177.2-65.5173.9000113.3V220 L223 W263 L266 L289 L290 A294 F295 L296 L314V220-L292 HydrophobicContact CB-CD2 4.47Å; V220-L292 HydrophobicContact CG1-CD2 4.43Å; V220-L292 HydrophobicContact CG2-CD1 3.97Å; V220-L292 HydrophobicContact CG2-CD2 3.84Å; V220-L292 HydrophobicContact CG2-CG 3.82Å; L223-L292 HydrophobicContact CD1-CD2 3.64Å; W263-L292 HydrophobicContact CH2-CB 4.19Å; W263-L292 HydrophobicContact CH2-CD2 3.77Å; W263-L292 HydrophobicContact CZ3-CB 4.38Å; W263-L292 HydrophobicContact CZ3-CD1 4.48Å; W263-L292 HydrophobicContact CZ3-CD2 3.9Å; W263-L292 HydrophobicContact CZ3-CG 4.49Å; L266-L292 HydrophobicContact CD1-CD1 4.08Å; L266-L292 HydrophobicContact CD1-CD2 3.85Å; L266-L292 HydrophobicContact CD2-CD1 4.41Å; L289-L292 HydrophobicContact CD2-CD1 4.2Å; L289-L292 VanDerWaalsContact O-CB 3.22Å; L289-L292 WeakPolarHBondContact O-CB 3.45Å; L289-L292 WeakPolarHBondContact O-CG 3.12Å; L289-L292 PolarHBondContact O-N 3.11Å; L289-L292 VanDerWaalsContact O-N 3.14Å; L290-L292 PolarHBondContact O-N 3.45Å; L292-A294 PolarHBondContact O-N 3.24Å; L292-F295 PolarHBondContact O-N 3.26Å; L292-L296 PolarHBondContact O-N 3.1Å; L292-L296 VanDerWaalsContact O-N 3.12Å; L292-L314 HydrophobicContact CB-CD1 3.68Å; L292-L314 HydrophobicContact CD1-CD1 4.32Å; L292-L314 HydrophobicContact CD1-CD2 4.5Å
293R95.1Very high93.5Very high146 Ų14658.7 Ų58.755%0.55132%0.318SS*.G310 helixtrans-59.2-30.4178.3-66.117963.3-170.9-0.1112.8L290 K291 F295 L314L290-R293 WeakPolarHBondContact O-CB 3.15Å; L290-R293 WeakPolarHBondContact O-CG 3.43Å; L290-R293 PolarHBondContact O-N 3.37Å; K291-R293 PolarHBondContact O-N 3.2Å; R293-F295 VanDerWaalsContact C-N 3.29Å; R293-L314 HydrophobicContact CG-CB 4.08Å; R293-L314 HydrophobicContact CG-CD1 4.25Å
294A93.8Very high93.6Very high82 Ų8256.3 Ų56.368%0.67830%0.298SS*.G310 helixtrans-72.4-24.7177.300000112.6K291 L292K291-A294 WeakPolarHBondContact O-CB 3.22Å; K291-A294 PolarHBondContact O-N 3.29Å; L292-A294 PolarHBondContact O-N 3.24Å
295F92.3Very high93.6Very high73 Ų7354.4 Ų54.432%0.3230%0.298SS..THydrogen-bonded Turntrans-92.3-22.2-178.9-58.4-86.4000112.8E224 W263 K291 L292 R293 T297 L300E224-F295 HydrophobicContact CB-CZ 4.34Å; E224-F295 HydrophobicContact CG-CE2 4.09Å; E224-F295 HydrophobicContact CG-CZ 3.97Å; W263-F295 HydrophobicContact CH2-CB 4.06Å; W263-F295 HydrophobicContact CZ2-CB 3.7Å; K291-F295 WeakPolarHBondContact O-CD2 3.28Å; L292-F295 PolarHBondContact O-N 3.26Å; R293-F295 VanDerWaalsContact C-N 3.29Å; F295-T297 VanDerWaalsContact C-N 3.26Å; F295-T297 PolarHBondContact O-N 3.29Å; F295-L300 WeakPolarHBondContact O-CD2 3.44Å
296L92.6Very high93.5Very high11 Ų1159.7 Ų59.76%0.05833%0.326CS..  trans-75.671.1175.9-71.5169.6000112.4W263 L292 L300 L301 L307 Q311 L314W263-L296 HydrophobicContact CH2-CD2 3.9Å; W263-L296 HydrophobicContact CH2-CG 3.88Å; W263-L296 HydrophobicContact CZ2-CD2 4.5Å; W263-L296 HydrophobicContact CZ3-CD2 3.92Å; W263-L296 HydrophobicContact CZ3-CG 4.2Å; L292-L296 PolarHBondContact O-N 3.1Å; L292-L296 VanDerWaalsContact O-N 3.12Å; L296-L300 HydrophobicContact CD2-CD2 4.11Å; L296-L301 HydrophobicContact CD2-CD2 4.33Å; L296-L307 HydrophobicContact CD2-CB 4.02Å; L296-L307 HydrophobicContact CD2-CD1 4.21Å; L296-Q311 HydrophobicContact CD1-CB 4Å; L296-Q311 HydrophobicContact CD1-CG 4.27Å; L296-L314 HydrophobicContact CD1-CD1 3.59Å
297T92.1Very high93.5Very high72 Ų7258 Ų5844%0.44232%0.319SS..  trans-82.2159.6174.964.10000112.1F295 T299 L300 L301F295-T297 VanDerWaalsContact C-N 3.26Å; F295-T297 PolarHBondContact O-N 3.29Å; T297-T299 PolarHBondContact O-N 2.77Å; T297-L300 WeakPolarHBondContact O-CB 3.24Å; T297-L300 PolarHBondContact O-N 3.26Å; T297-L300 PolarHBondContact OG1-N 3.28Å; T297-L301 PolarHBondContact O-N 3.5Å
298D91.2Very high93.5Very high126 Ų12657.9 Ų57.967%0.67431%0.314SS*.Hα-helixtrans-56-40.2175.1-61.2-28.9000111.6L300 L301 D302D298-L300 VanDerWaalsContact C-N 3.29Å; D298-L300 PolarHBondContact O-N 3.32Å; D298-L301 PolarHBondContact O-N 3.07Å; D298-L301 VanDerWaalsContact O-N 3.16Å; D298-D302 VanDerWaalsContact O-CG 3.29Å; D298-D302 PolarHBondContact O-N 3.22Å
299T90.8Very high93.4Very high53 Ų5362.6 Ų62.633%0.32534%0.336SS..Hα-helixtrans-63.7-32.3176.6-51.10000113.3Q253 T297 Q303Q253-T299 HydrophobicContact CB-CG2 4.21Å; T297-T299 PolarHBondContact O-N 2.77Å; T299-Q303 WeakPolarHBondContact O-CG 3.39Å; T299-Q303 PolarHBondContact O-N 3.23Å; T299-Q303 PolarHBondContact O-NE2 3.18Å
300L91.1Very high93.3Very high12 Ų1262.6 Ų62.66%0.06334%0.336CS..Hα-helixtrans-72.5-42.8173.8177.660000110.7L255 W263 F295 L296 T297 D298 D302 Q303 L304 L307L255-L300 HydrophobicContact CD1-CD1 3.68Å; L255-L300 HydrophobicContact CD2-CD1 3.83Å; L255-L300 HydrophobicContact CG-CD1 4.22Å; W263-L300 HydrophobicContact CD2-CD2 4.37Å; W263-L300 HydrophobicContact CH2-CD2 4.4Å; W263-L300 HydrophobicContact CZ2-CD2 3.6Å; F295-L300 WeakPolarHBondContact O-CD2 3.44Å; L296-L300 HydrophobicContact CD2-CD2 4.11Å; T297-L300 WeakPolarHBondContact O-CB 3.24Å; T297-L300 PolarHBondContact O-N 3.26Å; T297-L300 PolarHBondContact OG1-N 3.28Å; D298-L300 VanDerWaalsContact C-N 3.29Å; D298-L300 PolarHBondContact O-N 3.32Å; L300-D302 VanDerWaalsContact C-N 3.31Å; L300-D302 PolarHBondContact O-N 3.29Å; L300-Q303 PolarHBondContact O-N 3.08Å; L300-Q303 VanDerWaalsContact O-N 3.14Å; L300-L304 PolarHBondContact O-N 3.45Å; L300-L307 HydrophobicContact CD1-CD1 4.35Å; L300-L307 HydrophobicContact CD2-CD1 4.13Å; L300-L307 HydrophobicContact CG-CD1 4.08Å
301L93Very high93.2Very high23 Ų2364.3 Ų64.312%0.1234%0.343CS..Hα-helixtrans-65.5-34.1177.9-65.6175.1000112.1L296 T297 D298 Q303 L304 P305 L307L296-L301 HydrophobicContact CD2-CD2 4.33Å; T297-L301 PolarHBondContact O-N 3.5Å; D298-L301 PolarHBondContact O-N 3.07Å; D298-L301 VanDerWaalsContact O-N 3.16Å; L301-Q303 VanDerWaalsContact C-N 3.28Å; L301-Q303 PolarHBondContact O-N 3.27Å; L301-L304 CarbonylContact O-C 3.55Å; L301-L304 VanDerWaalsContact O-C 3.31Å; L301-P305 WeakPolarHBondContact O-CA 3.31Å; L301-P305 WeakPolarHBondContact O-CG 3.47Å; L301-P305 VanDerWaalsContact O-N 3.07Å; L301-L307 HydrophobicContact CD2-CB 3.84Å
302D92.8Very high93.1Very high132 Ų13263.9 Ų63.971%0.70635%0.348SS*.Hα-helixtrans-63.2-35.4172.6-72.4-22.1000111.9D298 L300D298-D302 VanDerWaalsContact O-CG 3.29Å; D298-D302 PolarHBondContact O-N 3.22Å; L300-D302 VanDerWaalsContact C-N 3.31Å; L300-D302 PolarHBondContact O-N 3.29Å
303Q91.7Very high93.1Very high79 Ų7965.8 Ų65.837%0.36936%0.357SS..Hα-helixtrans-83.7-33.5179.9-72.2176.981.300113.2Q253 T299 L300 L301Q253-Q303 PolarHBondContact O-NE2 3.36Å; T299-Q303 WeakPolarHBondContact O-CG 3.39Å; T299-Q303 PolarHBondContact O-N 3.23Å; T299-Q303 PolarHBondContact O-NE2 3.18Å; L300-Q303 PolarHBondContact O-N 3.08Å; L300-Q303 VanDerWaalsContact O-N 3.14Å; L301-Q303 VanDerWaalsContact C-N 3.28Å; L301-Q303 PolarHBondContact O-N 3.27Å
304L92.4Very high93.1Very high41 Ų4158.9 Ų58.922%0.21533%0.33CS..  trans-132.876.1178.1-121.4100.6000110.7L255 I264 L300 L301 N306 L307L255-L304 HydrophobicContact CD2-CD1 3.6Å; I264-L304 HydrophobicContact CG1-CD2 4.19Å; L300-L304 PolarHBondContact O-N 3.45Å; L301-L304 CarbonylContact O-C 3.55Å; L301-L304 VanDerWaalsContact O-C 3.31Å; L304-N306 PolarHBondContact O-N 3.1Å; L304-L307 HydrophobicContact CB-CD1 3.89Å; L304-L307 HydrophobicContact CB-CG 4.09Å; L304-L307 HydrophobicContact CD2-CD1 4.03Å; L304-L307 HydrophobicContact CD2-CD2 4.35Å; L304-L307 HydrophobicContact CD2-CG 3.97Å; L304-L307 WeakPolarHBondContact O-CB 3.39Å; L304-L307 PolarHBondContact O-N 3.44Å
305P92.8Very high93.2Very high84 Ų8457.2 Ų57.255%0.54532%0.317SS..THydrogen-bonded Turntrans-58.5-27.9-173.1-27.335.8000114.7L301 L307 A308L301-P305 WeakPolarHBondContact O-CA 3.31Å; L301-P305 WeakPolarHBondContact O-CG 3.47Å; L301-P305 VanDerWaalsContact O-N 3.07Å; P305-L307 PolarHBondContact O-N 2.95Å; P305-L307 VanDerWaalsContact O-N 3.09Å; P305-A308 WeakPolarHBondContact O-CB 3.45Å; P305-A308 PolarHBondContact O-N 2.63Å
306N90Very high93.2Very high111 Ų11159.8 Ų59.859%0.59433%0.33SS*.THydrogen-bonded Turntrans-59.2-23.2178.1-63.8-14.8000112.6Y267 L304 A308 H309Y267-N306 HydrophobicContact CE2-CB 4.3Å; Y267-N306 VanDerWaalsContact CE2-O 3.26Å; Y267-N306 WeakPolarHBondContact CE2-O 3.37Å; L304-N306 PolarHBondContact O-N 3.1Å; N306-A308 PolarHBondContact O-N 2.82Å; N306-H309 PolarHBondContact O-N 2.92Å
307L94.3Very high93.2Very high1 Ų159.6 Ų59.61%0.00533%0.329CS..Hα-helixtrans-70.6-8.6177.2-62.1-179.7000113.8W263 Y267 L296 L300 L301 L304 P305 H309 L310 Q311W263-L307 HydrophobicContact CB-CD1 4.02Å; W263-L307 HydrophobicContact CB-CD2 4.2Å; W263-L307 HydrophobicContact CD2-CD1 3.85Å; W263-L307 HydrophobicContact CE3-CD1 4.04Å; W263-L307 HydrophobicContact CE3-CD2 4.19Å; W263-L307 HydrophobicContact CG-CD1 3.85Å; Y267-L307 HydrophobicContact CD2-CD2 4.41Å; L296-L307 HydrophobicContact CD2-CB 4.02Å; L296-L307 HydrophobicContact CD2-CD1 4.21Å; L300-L307 HydrophobicContact CD1-CD1 4.35Å; L300-L307 HydrophobicContact CD2-CD1 4.13Å; L300-L307 HydrophobicContact CG-CD1 4.08Å; L301-L307 HydrophobicContact CD2-CB 3.84Å; L304-L307 HydrophobicContact CB-CD1 3.89Å; L304-L307 HydrophobicContact CB-CG 4.09Å; L304-L307 HydrophobicContact CD2-CD1 4.03Å; L304-L307 HydrophobicContact CD2-CD2 4.35Å; L304-L307 HydrophobicContact CD2-CG 3.97Å; L304-L307 WeakPolarHBondContact O-CB 3.39Å; L304-L307 PolarHBondContact O-N 3.44Å; P305-L307 PolarHBondContact O-N 2.95Å; P305-L307 VanDerWaalsContact O-N 3.09Å; L307-H309 PolarHBondContact O-N 3.16Å; L307-L310 HydrophobicContact CD2-CD2 4.09Å; L307-L310 WeakPolarHBondContact O-CB 3.33Å; L307-L310 PolarHBondContact O-N 2.91Å; L307-Q311 PolarHBondContact O-N 2.99Å
308A94.5Very high93.3Very high38 Ų3857.7 Ų57.731%0.31432%0.321SS..Hα-helixtrans-59.7-33.6172.400000112.3P305 N306 Q311 S312P305-A308 WeakPolarHBondContact O-CB 3.45Å; P305-A308 PolarHBondContact O-N 2.63Å; N306-A308 PolarHBondContact O-N 2.82Å; A308-Q311 PolarHBondContact O-N 3.37Å; A308-S312 PolarHBondContact O-N 2.97Å; A308-S312 PolarHBondContact O-OG 3.48Å
309H93.9Very high93.4Very high119 Ų11959 Ų5955%0.55133%0.326SS*.Hα-helixtrans-67.7-39.8173.9-63.9174.3000111.3Y267 L271 N306 L307 S312 F313Y267-H309 HydrophobicContact CE2-CB 4.31Å; L271-H309 HydrophobicContact CD1-CB 3.78Å; N306-H309 PolarHBondContact O-N 2.92Å; L307-H309 PolarHBondContact O-N 3.16Å; H309-S312 WeakPolarHBondContact O-CB 3.46Å; H309-S312 PolarHBondContact O-N 2.89Å; H309-F313 WeakPolarHBondContact O-CB 3.46Å; H309-F313 PolarHBondContact O-N 3.09Å
310L95.4Very high93.3Very high0 Ų060 Ų600%033%0.333CS..Hα-helixtrans-66-41.1175.6-17761.2000111.3W263 L270 L271 L307 S312 F313 L314W263-L310 HydrophobicContact CE3-CD2 3.92Å; W263-L310 HydrophobicContact CZ3-CD2 3.82Å; L270-L310 HydrophobicContact CB-CD1 4.12Å; L270-L310 HydrophobicContact CD1-CD1 3.76Å; L271-L310 HydrophobicContact CD1-CB 4.26Å; L271-L310 HydrophobicContact CD2-CD1 4.49Å; L307-L310 HydrophobicContact CD2-CD2 4.09Å; L307-L310 WeakPolarHBondContact O-CB 3.33Å; L307-L310 PolarHBondContact O-N 2.91Å; L310-S312 VanDerWaalsContact C-N 3.3Å; L310-S312 PolarHBondContact O-N 3.4Å; L310-F313 HydrophobicContact CD1-CD1 4.14Å; L310-F313 WeakPolarHBondContact O-CB 3.27Å; L310-F313 PolarHBondContact O-N 3.4Å; L310-L314 HydrophobicContact CD1-CG 4.48Å; L310-L314 HydrophobicContact CG-CD1 4.33Å; L310-L314 VanDerWaalsContact O-CG 3.31Å; L310-L314 WeakPolarHBondContact O-CG 3.42Å; L310-L314 PolarHBondContact O-N 3.44Å
311Q95.3Very high92.9Very high79 Ų7967.9 Ų67.937%0.36937%0.369SS..Hα-helixtrans-58.1-44.9173.6-168.7-172.450.600111.2L296 L307 A308 L314 A315L296-Q311 HydrophobicContact CD1-CB 4Å; L296-Q311 HydrophobicContact CD1-CG 4.27Å; L307-Q311 PolarHBondContact O-N 2.99Å; A308-Q311 PolarHBondContact O-N 3.37Å; Q311-L314 PolarHBondContact O-N 3.23Å; Q311-A315 PolarHBondContact O-N 3.45Å
312S94.8Very high92.4Very high59 Ų5969.6 Ų69.641%0.41338%0.381SS..Hα-helixtrans-62.2-47.7176.1-610000111A308 H309 L310 L314 A315 H316A308-S312 PolarHBondContact O-N 2.97Å; A308-S312 PolarHBondContact O-OG 3.48Å; H309-S312 WeakPolarHBondContact O-CB 3.46Å; H309-S312 PolarHBondContact O-N 2.89Å; L310-S312 VanDerWaalsContact C-N 3.3Å; L310-S312 PolarHBondContact O-N 3.4Å; S312-L314 VanDerWaalsContact C-N 3.33Å; S312-L314 PolarHBondContact O-N 2.95Å; S312-A315 WeakPolarHBondContact O-CB 3.3Å; S312-A315 PolarHBondContact O-N 3.32Å; S312-A315 VanDerWaalsContact O-N 3.16Å; S312-H316 PolarHBondContact O-N 2.99Å; S312-H316 VanDerWaalsContact O-N 3.08Å; S312-H316 PolarHBondContact O-ND1 3.19Å
313F95Very high91.3Very high41 Ų4169.4 Ų69.418%0.1838%0.376CS..Hα-helixtrans-55.2-46.1175.5170.8-95.6000112.2L270 L271 H309 L310 A315 H316 L317L270-F313 HydrophobicContact CB-CE1 4.18Å; L270-F313 HydrophobicContact CD2-CE1 4.37Å; L271-F313 HydrophobicContact CD2-CB 3.57Å; L271-F313 HydrophobicContact CD2-CD1 4.38Å; L271-F313 HydrophobicContact CD2-CD2 4Å; L271-F313 HydrophobicContact CD2-CG 3.73Å; H309-F313 WeakPolarHBondContact O-CB 3.46Å; H309-F313 PolarHBondContact O-N 3.09Å; L310-F313 HydrophobicContact CD1-CD1 4.14Å; L310-F313 WeakPolarHBondContact O-CB 3.27Å; L310-F313 PolarHBondContact O-N 3.4Å; F313-A315 VanDerWaalsContact C-N 3.32Å; F313-A315 PolarHBondContact O-N 3.07Å; F313-H316 PolarHBondContact O-N 3.26Å; F313-L317 HydrophobicContact CE1-CD2 4.23Å; F313-L317 WeakPolarHBondContact O-CB 3.21Å; F313-L317 PolarHBondContact O-N 3.13Å
314L95.9Very high90.4Very high0 Ų070.7 Ų70.70%039%0.391CS..Hα-helixtrans-65.7-33.6178.7-67.9172000112.8L289 L290 L292 R293 L296 L310 Q311 S312 L317 A318L289-L314 HydrophobicContact CB-CD2 4.17Å; L289-L314 WeakPolarHBondContact O-CD2 3.5Å; L290-L314 WeakPolarHBondContact CD2-O 3.25Å; L292-L314 HydrophobicContact CB-CD1 3.68Å; L292-L314 HydrophobicContact CD1-CD1 4.32Å; L292-L314 HydrophobicContact CD1-CD2 4.5Å; R293-L314 HydrophobicContact CG-CB 4.08Å; R293-L314 HydrophobicContact CG-CD1 4.25Å; L296-L314 HydrophobicContact CD1-CD1 3.59Å; L310-L314 HydrophobicContact CD1-CG 4.48Å; L310-L314 HydrophobicContact CG-CD1 4.33Å; L310-L314 VanDerWaalsContact O-CG 3.31Å; L310-L314 WeakPolarHBondContact O-CG 3.42Å; L310-L314 PolarHBondContact O-N 3.44Å; Q311-L314 PolarHBondContact O-N 3.23Å; S312-L314 VanDerWaalsContact C-N 3.33Å; S312-L314 PolarHBondContact O-N 2.95Å; L314-L317 HydrophobicContact CD2-CD2 4.23Å; L314-L317 PolarHBondContact O-N 3.33Å; L314-A318 PolarHBondContact O-N 3.3Å
315A94.9Very high89.3Confident48 Ų4873 Ų7340%0.39741%0.408SS..Hα-helixtrans-65.1-43.317400000111.6Q311 S312 F313 A318Q311-A315 PolarHBondContact O-N 3.45Å; S312-A315 WeakPolarHBondContact O-CB 3.3Å; S312-A315 PolarHBondContact O-N 3.32Å; S312-A315 VanDerWaalsContact O-N 3.16Å; F313-A315 VanDerWaalsContact C-N 3.32Å; F313-A315 PolarHBondContact O-N 3.07Å; A315-A318 WeakPolarHBondContact O-CB 3.35Å; A315-A318 PolarHBondContact O-N 3.13Å
316H93.4Very high88.2Confident126 Ų12676.5 Ų76.558%0.58342%0.415SS*.Hα-helixtrans-64.8-45.9173.5-65.592.7000111.2S312 F313 A318 L319 T320S312-H316 PolarHBondContact O-N 2.99Å; S312-H316 VanDerWaalsContact O-N 3.08Å; S312-H316 PolarHBondContact O-ND1 3.19Å; F313-H316 PolarHBondContact O-N 3.26Å; H316-A318 PolarHBondContact O-N 3.15Å; H316-L319 WeakPolarHBondContact O-CB 3.36Å; H316-L319 PolarHBondContact O-N 3.22Å; H316-T320 PolarHBondContact O-N 3.27Å; H316-T320 VanDerWaalsContact O-N 3.13Å; H316-T320 PolarHBondContact O-OG1 3.03Å; H316-T320 VanDerWaalsContact O-OG1 3.07Å
317L92.9Very high86.8Confident7 Ų780.9 Ų80.94%0.03743%0.429CS..Hα-helixtrans-56.1-36.5179.1179.862.5000112.5L281 K286 L289 F313 L314 L319 T320L281-L317 HydrophobicContact CD1-CD1 3.66Å; L281-L317 HydrophobicContact CD2-CD1 3.91Å; L281-L317 HydrophobicContact CD2-CD2 4.36Å; L281-L317 HydrophobicContact CG-CD1 4.33Å; K286-L317 WeakPolarHBondContact CE-O 3.39Å; K286-L317 HydrophobicContact CG-CD1 4.34Å; K286-L317 HydrophobicContact CG-CG 4.22Å; K286-L317 PolarHBondContact NZ-O 2.68Å; L289-L317 HydrophobicContact CB-CD2 4.01Å; L289-L317 HydrophobicContact CD1-CD2 4.05Å; F313-L317 HydrophobicContact CE1-CD2 4.23Å; F313-L317 WeakPolarHBondContact O-CB 3.21Å; F313-L317 PolarHBondContact O-N 3.13Å; L314-L317 HydrophobicContact CD2-CD2 4.23Å; L314-L317 PolarHBondContact O-N 3.33Å; L317-L319 PolarHBondContact O-N 3.06Å; L317-T320 PolarHBondContact O-N 2.92Å
318A93.1Very high85.5Confident33 Ų3386.1 Ų86.127%0.27346%0.457SS..Hα-helixtrans-57.4-36.517700000112.1K286 L290 L314 A315 H316K286-A318 PolarHBondContact NZ-O 3.05Å; L290-A318 HydrophobicContact CD1-CB 4.47Å; L290-A318 HydrophobicContact CD2-CB 3.88Å; L314-A318 PolarHBondContact O-N 3.3Å; A315-A318 WeakPolarHBondContact O-CB 3.35Å; A315-A318 PolarHBondContact O-N 3.13Å; H316-A318 PolarHBondContact O-N 3.15Å
319L92.9Very high84.4Confident152 Ų15293.2 Ų93.280%0.79649%0.488SS*.Hα-helixtrans-85.6-25.3-179-56.1175.7000113.1H316 L317H316-L319 WeakPolarHBondContact O-CB 3.36Å; H316-L319 PolarHBondContact O-N 3.22Å; L317-L319 PolarHBondContact O-N 3.06Å
320T89.3Confident83.6Confident75 Ų7590.2 Ų90.246%0.4648%0.478SS..SBendtrans-71.7132.3-176.9-53.60000112.5K286 H316 L317K286-T320 PolarHBondContact NZ-O 3.43Å; H316-T320 PolarHBondContact O-N 3.27Å; H316-T320 VanDerWaalsContact O-N 3.13Å; H316-T320 PolarHBondContact O-OG1 3.03Å; H316-T320 VanDerWaalsContact O-OG1 3.07Å; L317-T320 PolarHBondContact O-N 2.92Å
321E83.7Confident82.9Confident177 Ų17798.5 Ų98.583%0.82752%0.521SS*.PPolyproline II helixtrans-72138.5171.3-67.4-175.1174.400111.3
322T81.9Confident82.4Confident59 Ų5998.2 Ų98.236%0.36252%0.52SS..PPolyproline II helixtrans-78136.5179.255.20000111L281 K286L281-T322 WeakPolarHBondContact O-CB 3.25Å; K286-T322 HydrophobicContact CB-CG2 3.88Å; K286-T322 HydrophobicContact CD-CG2 3.55Å; K286-T322 HydrophobicContact CG-CG2 4.32Å
323Q69.8Low82Confident128 Ų12899.4 Ų99.460%0.59852%0.519SS*.PPolyproline II helixtrans-94.5147176.6-63.9-170-0.300110.9
324P71.4Confident81.7Confident106 Ų106102.1 Ų102.169%0.68854%0.535SS*.PPolyproline II helixtrans-62.2147.8169.727.6-33.3000109.8K326P324-K326 PolarHBondContact O-N 3.44Å; P324-K326 VanDerWaalsContact O-N 3.16Å
325P71.1Confident81.4Confident89 Ų89102.3 Ų102.358%0.57854%0.536SS*.PPolyproline II helixtrans-58.6122.3-179.322.5-31.9000110.5C280C280-P325 VanDerWaalsContact SG-CA 3.59Å
326K68.4Low81.4Confident159 Ų159105.8 Ų105.869%0.69154%0.544SS*.PPolyproline II helixtrans-75.3124.6170.2-71.3-177.9-177.6174.10108.3P324 D328P324-K326 PolarHBondContact O-N 3.44Å; P324-K326 VanDerWaalsContact O-N 3.16Å; K326-D328 PolarHBondContact O-N 3.24Å
327K61Low81.6Confident203 Ų203100 Ų10088%0.88352%0.517SS*.  trans-88.188.8173.7-69.6-172.7178.5-175.30108.7
328D66.8Low81.7Confident111 Ų111101.9 Ų101.959%0.59452%0.524SS*.  trans-78.7135.9168-68.3-19.2000108.9K326 V330K326-D328 PolarHBondContact O-N 3.24Å; D328-V330 HydrophobicContact CB-CG2 3.92Å; D328-V330 PolarHBondContact O-N 3.25Å; D328-V330 VanDerWaalsContact O-N 3.13Å
329L71.8Confident81.8Confident187 Ų187105.1 Ų105.198%0.97953%0.534SS*.  trans-76.995.5170.8-78.1157.8000107.7
330V76.5Confident82Confident55 Ų55100.5 Ų100.533%0.33351%0.506SS..  trans-110.8130.2177.6-171.80000108.8L203 D328 E332L203-V330 HydrophobicContact CD2-CG1 3.73Å; L203-V330 HydrophobicContact CG-CG1 4.43Å; D328-V330 HydrophobicContact CB-CG2 3.92Å; D328-V330 PolarHBondContact O-N 3.25Å; D328-V330 VanDerWaalsContact O-N 3.13Å; V330-E332 HydrophobicContact CB-CG 4.21Å; V330-E332 HydrophobicContact CG1-CG 3.67Å
331L80.9Confident82.4Confident174 Ų17497.5 Ų97.591%0.91149%0.486SS*.  trans-87.4114.1168.2-17769.9000107.5
332E84.8Confident83Confident73 Ų7390.3 Ų90.334%0.34145%0.453SS..  trans-114.6145.1-176.2-61.5-179.4169.600110.4S207 V330S207-E332 WeakPolarHBondContact CB-OE1 3.47Å; S207-E332 PolarHBondContact OG-OE1 3.14Å; V330-E332 HydrophobicContact CB-CG 4.21Å; V330-E332 HydrophobicContact CG1-CG 3.67Å
333Q85.9Confident83.7Confident84 Ų8495.2 Ų95.239%0.39347%0.465SS..  trans-70.5145.7166.1-69.6164.1-44.200109.5D132 L135 S204D132-Q333 PolarHBondContact OD1-NE2 2.98Å; D132-Q333 PolarHBondContact OD1-OE1 3.01Å; D132-Q333 PolarHBondContact OD2-NE2 3.39Å; L135-Q333 HydrophobicContact CD1-CB 3.79Å; S204-Q333 PolarHBondContact OG-N 3.04Å
334I89.1Confident84.9Confident98 Ų9893.7 Ų93.750%0.50346%0.458SS..  trans-108.7143.517559.2173000109.3E336I334-E336 WeakPolarHBondContact O-CG 3.37Å
335P90.8Very high86.1Confident5 Ų589.8 Ų89.83%0.03243%0.431CS..  trans-63.1137.8170.54.8-0.8000110.6L135 D136 R208L135-P335 HydrophobicContact CB-CB 4.02Å; L135-P335 HydrophobicContact CB-CG 4.07Å; D136-P335 HydrophobicContact CB-CB 4.11Å; D136-P335 WeakPolarHBondContact OD1-CB 3.41Å; D136-P335 WeakPolarHBondContact OD2-CA 3.15Å; D136-P335 WeakPolarHBondContact OD2-CB 3.34Å; R208-P335 VanDerWaalsContact NH2-CG 3.26Å
336E94.3Very high87.2Confident120 Ų12093.7 Ų93.756%0.56143%0.434SS*.  trans-113.1-24.5-168.5-62.5-166.3168.100113.2D136 I334 E339 R340D136-E336 PolarHBondContact OD1-N 3.15Å; D136-E336 PolarHBondContact OD2-N 3.18Å; D136-E336 VanDerWaalsContact OD2-N 3.08Å; I334-E336 WeakPolarHBondContact O-CG 3.37Å; E336-E339 PolarHBondContact O-N 3.29Å; E336-R340 WeakPolarHBondContact O-CB 3.46Å; E336-R340 PolarHBondContact O-N 2.99Å
337I97Very high88.4Confident4 Ų489.1 Ų89.12%0.02143%0.432CS..Hα-helixtrans-64.4-53.6-168-62.8170.5000110V72 E73 I76 T133 D136 E339 R340 L341V72-I337 HydrophobicContact CG1-CD1 4Å; E73-I337 HydrophobicContact CB-CD1 4.18Å; E73-I337 HydrophobicContact CB-CG2 4.36Å; E73-I337 HydrophobicContact CG-CG2 4.1Å; I76-I337 HydrophobicContact CB-CG2 3.92Å; I76-I337 HydrophobicContact CD1-CB 4.12Å; I76-I337 HydrophobicContact CD1-CD1 4.19Å; I76-I337 HydrophobicContact CD1-CG2 4.08Å; I76-I337 HydrophobicContact CG2-CB 4.47Å; I76-I337 HydrophobicContact CG2-CG2 3.74Å; T133-I337 HydrophobicContact CG2-CD1 3.91Å; D136-I337 HydrophobicContact CB-CB 4.39Å; D136-I337 HydrophobicContact CB-CD1 3.86Å; D136-I337 HydrophobicContact CB-CG1 4.31Å; D136-I337 WeakPolarHBondContact OD1-CB 3.45Å; D136-I337 PolarHBondContact OD1-N 3.38Å; D136-I337 PolarHBondContact OD2-N 3.37Å; I337-E339 PolarHBondContact O-N 2.76Å; I337-R340 PolarHBondContact O-N 2.74Å; I337-L341 HydrophobicContact CG2-CD1 3.88Å; I337-L341 HydrophobicContact CG2-CG 4.45Å; I337-L341 WeakPolarHBondContact O-CB 3.31Å; I337-L341 VanDerWaalsContact O-CG 3.29Å; I337-L341 WeakPolarHBondContact O-CG 3.24Å; I337-L341 PolarHBondContact O-N 2.71Å
338W95.9Very high90.1Very high47 Ų4784.9 Ų84.918%0.17841%0.414CS..Hα-helixtrans-60.8-46179.7-176.7-78.8000111.5I76 E79 M80 R340 L341 E342I76-W338 HydrophobicContact CG2-CB 4.21Å; I76-W338 HydrophobicContact CG2-CE3 3.86Å; E79-W338 HydrophobicContact CB-CZ3 4.35Å; E79-W338 HydrophobicContact CG-CZ3 4.02Å; E79-W338 WeakPolarHBondContact OE2-CZ3 3.41Å; M80-W338 HydrophobicContact CB-CH2 4.17Å; M80-W338 HydrophobicContact CB-CZ3 4.04Å; M80-W338 HydrophobicContact CE-CD2 3.71Å; M80-W338 HydrophobicContact CE-CE3 4.09Å; M80-W338 HydrophobicContact CE-CG 4.02Å; M80-W338 HydrophobicContact CE-CH2 4.45Å; M80-W338 HydrophobicContact CE-CZ2 4.15Å; M80-W338 HydrophobicContact CE-CZ3 4.43Å; M80-W338 WeakPolarHBondContact CE-O 3.39Å; M80-W338 HydrophobicContact CG-CH2 4.49Å; W338-R340 PolarHBondContact O-N 3.35Å; W338-L341 PolarHBondContact O-N 3.3Å; W338-E342 VanDerWaalsContact O-CB 3.28Å; W338-E342 WeakPolarHBondContact O-CB 3.45Å; W338-E342 PolarHBondContact O-N 3.09Å
339E95.1Very high91.5Very high102 Ų10281 Ų8148%0.47739%0.391SS..Hα-helixtrans-65.5-39.9-178.2-65.2-168.1172.400112.4E336 I337 R343E336-E339 PolarHBondContact O-N 3.29Å; I337-E339 PolarHBondContact O-N 2.76Å; E339-R343 WeakPolarHBondContact O-CB 3.34Å; E339-R343 PolarHBondContact O-N 3.22Å
340R96.9Very high92.5Very high55 Ų5577.8 Ų77.821%0.20837%0.371CS..Hα-helixtrans-62.2-52.7175.1177.7175.967.9-118.97.1110.8E73 E336 I337 W338 E342 R343 E344E73-R340 IonicContact OE1-CZ 3.78Å; E73-R340 IonicContact OE1-NE 3.95Å; E73-R340 IonicContact OE1-NH2 2.77Å; E73-R340 PolarHBondContact OE1-NH2 2.91Å; E73-R340 IonicContact OE2-NH2 3.22Å; E73-R340 PolarHBondContact OE2-NH2 3.03Å; E336-R340 WeakPolarHBondContact O-CB 3.46Å; E336-R340 PolarHBondContact O-N 2.99Å; I337-R340 PolarHBondContact O-N 2.74Å; W338-R340 PolarHBondContact O-N 3.35Å; R340-E342 VanDerWaalsContact C-N 3.33Å; R340-E342 PolarHBondContact O-N 3.05Å; R340-R343 PolarHBondContact O-N 3.24Å; R340-E344 WeakPolarHBondContact CG-OE1 3.33Å; R340-E344 WeakPolarHBondContact O-CB 3.27Å; R340-E344 WeakPolarHBondContact O-CG 3.48Å; R340-E344 PolarHBondContact O-N 3.02Å
341L96.6Very high93.4Very high11 Ų1178.3 Ų78.36%0.05838%0.381CS..Hα-helixtrans-60.9-42179.7-70.1174.2000111.7I76 A77 M80 I337 W338 E344 N345I76-L341 HydrophobicContact CG2-CD1 4.27Å; A77-L341 HydrophobicContact CB-CD1 3.94Å; M80-L341 HydrophobicContact CE-CB 3.57Å; M80-L341 HydrophobicContact SD-CB 3.62Å; I337-L341 HydrophobicContact CG2-CD1 3.88Å; I337-L341 HydrophobicContact CG2-CG 4.45Å; I337-L341 WeakPolarHBondContact O-CB 3.31Å; I337-L341 VanDerWaalsContact O-CG 3.29Å; I337-L341 WeakPolarHBondContact O-CG 3.24Å; I337-L341 PolarHBondContact O-N 2.71Å; W338-L341 PolarHBondContact O-N 3.3Å; L341-E344 PolarHBondContact O-N 2.71Å; L341-N345 WeakPolarHBondContact O-CB 3.05Å; L341-N345 PolarHBondContact O-N 2.87Å; L341-N345 VanDerWaalsContact O-N 3.12Å; L341-N345 PolarHBondContact O-ND2 3.39Å
342E96.2Very high94.1Very high27 Ų2770.6 Ų70.613%0.12634%0.34CS..Hα-helixtrans-63.7-45.7175.8177.169.2-150.300110.3M80 W338 R340 E344 N345 R346 W349M80-E342 HydrophobicContact CE-CB 4.03Å; W338-E342 VanDerWaalsContact O-CB 3.28Å; W338-E342 WeakPolarHBondContact O-CB 3.45Å; W338-E342 PolarHBondContact O-N 3.09Å; R340-E342 VanDerWaalsContact C-N 3.33Å; R340-E342 PolarHBondContact O-N 3.05Å; E342-E344 PolarHBondContact O-N 2.71Å; E342-N345 PolarHBondContact O-N 3.08Å; E342-R346 WeakPolarHBondContact O-CA 3.34Å; E342-R346 WeakPolarHBondContact O-CB 3.22Å; E342-R346 PolarHBondContact O-N 3.02Å; E342-R346 IonicContact OE1-CZ 3.94Å; E342-R346 IonicContact OE1-NE 3.75Å; E342-R346 IonicContact OE1-NH2 3.72Å; E342-W349 WeakPolarHBondContact OE2-CZ2 3.42Å
343R96.6Very high94.5Very high162 Ų16267.2 Ų67.261%0.61133%0.325SS*.Hα-helixtrans-61.1-42.5178.7-179.6177.862.5-117.21.1112.3E339 R340 N345E339-R343 WeakPolarHBondContact O-CB 3.34Å; E339-R343 PolarHBondContact O-N 3.22Å; R340-R343 PolarHBondContact O-N 3.24Å; R343-N345 VanDerWaalsContact C-N 3.34Å
344E95.6Very high94.8Very high96 Ų9669.3 Ų69.345%0.44933%0.332SS..Hα-helixtrans-69.3-31.4-179-73.1172.2-17100113R340 L341 E342 K348R340-E344 WeakPolarHBondContact CG-OE1 3.33Å; R340-E344 WeakPolarHBondContact O-CB 3.27Å; R340-E344 WeakPolarHBondContact O-CG 3.48Å; R340-E344 PolarHBondContact O-N 3.02Å; L341-E344 PolarHBondContact O-N 2.71Å; E342-E344 PolarHBondContact O-N 2.71Å; E344-K348 PolarHBondContact O-NZ 3.25Å
345N96.1Very high95Very high23 Ų2368.2 Ų68.212%0.12333%0.325CS..Hα-helixtrans-113.2-3.2-170.6-62.2-76.8000114.6L24 L341 E342 R343 G347 K348 W349 I352L24-N345 HydrophobicContact CD1-CB 4.12Å; L341-N345 WeakPolarHBondContact O-CB 3.05Å; L341-N345 PolarHBondContact O-N 2.87Å; L341-N345 VanDerWaalsContact O-N 3.12Å; L341-N345 PolarHBondContact O-ND2 3.39Å; E342-N345 PolarHBondContact O-N 3.08Å; R343-N345 VanDerWaalsContact C-N 3.34Å; N345-G347 PolarHBondContact O-N 3.38Å; N345-K348 VanDerWaalsContact O-CB 3.3Å; N345-K348 WeakPolarHBondContact O-CB 3.23Å; N345-K348 PolarHBondContact O-N 3.46Å; N345-W349 HydrophobicContact CB-CE3 4.13Å; N345-W349 HydrophobicContact CB-CH2 3.42Å; N345-W349 VanDerWaalsContact CB-CH2 3.42Å; N345-W349 HydrophobicContact CB-CZ2 4.35Å; N345-W349 HydrophobicContact CB-CZ3 3.28Å; N345-I352 HydrophobicContact CB-CD1 4.18Å
346R94.6Very high95.1Very high172 Ų17268 Ų6865%0.64932%0.323SS*.THydrogen-bonded Turntrans-50.5128.5178.4-176.7173.5-69.8-127.50.3111.7E342 K348E342-R346 WeakPolarHBondContact O-CA 3.34Å; E342-R346 WeakPolarHBondContact O-CB 3.22Å; E342-R346 PolarHBondContact O-N 3.02Å; E342-R346 IonicContact OE1-CZ 3.94Å; E342-R346 IonicContact OE1-NE 3.75Å; E342-R346 IonicContact OE1-NH2 3.72Å; R346-K348 PolarHBondContact O-N 3.16Å
347G94.3Very high94.9Very high63 Ų6363.6 Ų63.665%0.64930%0.304SS*.THydrogen-bonded Turntrans75.32179.800000114.8N345N345-G347 PolarHBondContact O-N 3.38Å
348K95.9Very high94.4Very high113 Ų11368.6 Ų68.649%0.49133%0.327SS..  trans-105.61.3-179.3-55.1175.7-171.2162.80113.5E344 N345 R346 Q350 A351 I352E344-K348 PolarHBondContact O-NZ 3.25Å; N345-K348 VanDerWaalsContact O-CB 3.3Å; N345-K348 WeakPolarHBondContact O-CB 3.23Å; N345-K348 PolarHBondContact O-N 3.46Å; R346-K348 PolarHBondContact O-N 3.16Å; K348-Q350 VanDerWaalsContact C-N 3.33Å; K348-Q350 PolarHBondContact O-N 2.87Å; K348-A351 WeakPolarHBondContact O-CA 3.48Å; K348-A351 WeakPolarHBondContact O-CB 2.92Å; K348-A351 PolarHBondContact O-N 3.41Å; K348-I352 HydrophobicContact CB-CD1 4.2Å; K348-I352 HydrophobicContact CB-CG1 4.42Å; K348-I352 WeakPolarHBondContact O-CG1 3.4Å; K348-I352 PolarHBondContact O-N 3.29Å
349W95.6Very high94Very high30 Ų3072.8 Ų72.811%0.11435%0.348CS..Hα-helixtrans-54.1-44.9-174.4-47.2129.9000113.3L24 M80 K84 V85 E342 N345 I352 A353L24-W349 HydrophobicContact CD1-CH2 4.48Å; L24-W349 HydrophobicContact CD1-CZ3 3.77Å; M80-W349 HydrophobicContact CG-CH2 4.38Å; M80-W349 HydrophobicContact SD-CH2 3.8Å; M80-W349 HydrophobicContact SD-CZ3 4.27Å; K84-W349 HydrophobicContact CB-CD2 3.8Å; K84-W349 HydrophobicContact CB-CE3 3.83Å; K84-W349 HydrophobicContact CB-CG 4.23Å; K84-W349 HydrophobicContact CB-CH2 4.43Å; K84-W349 HydrophobicContact CB-CZ2 4.42Å; K84-W349 HydrophobicContact CB-CZ3 4.15Å; K84-W349 HydrophobicContact CG-CD2 4.43Å; K84-W349 HydrophobicContact CG-CH2 4.32Å; K84-W349 HydrophobicContact CG-CZ2 4.19Å; K84-W349 HydrophobicContact CG-CZ3 4.49Å; V85-W349 HydrophobicContact CG2-CE3 4.11Å; E342-W349 WeakPolarHBondContact OE2-CZ2 3.42Å; N345-W349 HydrophobicContact CB-CE3 4.13Å; N345-W349 HydrophobicContact CB-CH2 3.42Å; N345-W349 VanDerWaalsContact CB-CH2 3.42Å; N345-W349 HydrophobicContact CB-CZ2 4.35Å; N345-W349 HydrophobicContact CB-CZ3 3.28Å; W349-I352 HydrophobicContact CE3-CD1 4.17Å; W349-I352 HydrophobicContact CZ3-CD1 4.46Å; W349-I352 PolarHBondContact O-N 2.98Å; W349-A353 WeakPolarHBondContact O-CB 3.38Å; W349-A353 PolarHBondContact O-N 3.35Å
350Q94.6Very high93.7Very high120 Ų12068.9 Ų68.956%0.56133%0.331SS*.Hα-helixtrans-67.5-37.7176.9-64.883.6-1000112.5V88 K348 K354V88-Q350 HydrophobicContact CG1-CG 4.15Å; K348-Q350 VanDerWaalsContact C-N 3.33Å; K348-Q350 PolarHBondContact O-N 2.87Å; Q350-K354 WeakPolarHBondContact O-CB 3.03Å; Q350-K354 PolarHBondContact O-N 3.23Å
351A94.4Very high93.3Very high65 Ų6566.7 Ų66.754%0.53732%0.323SS..Hα-helixtrans-68-40.9177.500000111.3K348 K354 H355K348-A351 WeakPolarHBondContact O-CA 3.48Å; K348-A351 WeakPolarHBondContact O-CB 2.92Å; K348-A351 PolarHBondContact O-N 3.41Å; A351-K354 PolarHBondContact O-N 2.92Å; A351-H355 WeakPolarHBondContact O-CB 3.48Å; A351-H355 PolarHBondContact O-N 3.06Å
352I95.8Very high92.6Very high12 Ų1269.7 Ų69.76%0.06235%0.346CS..Hα-helixtrans-61.3-51174.2-67.8166.6000110.1L24 R25 V85 N345 K348 W349 K354 H355 Q356L24-I352 HydrophobicContact CB-CD1 4.5Å; R25-I352 HydrophobicContact CB-CG1 4.45Å; R25-I352 HydrophobicContact CB-CG2 4.4Å; V85-I352 HydrophobicContact CG1-CG2 4Å; V85-I352 HydrophobicContact CG2-CG2 4.04Å; N345-I352 HydrophobicContact CB-CD1 4.18Å; K348-I352 HydrophobicContact CB-CD1 4.2Å; K348-I352 HydrophobicContact CB-CG1 4.42Å; K348-I352 WeakPolarHBondContact O-CG1 3.4Å; K348-I352 PolarHBondContact O-N 3.29Å; W349-I352 HydrophobicContact CE3-CD1 4.17Å; W349-I352 HydrophobicContact CZ3-CD1 4.46Å; W349-I352 PolarHBondContact O-N 2.98Å; I352-K354 VanDerWaalsContact C-N 3.33Å; I352-K354 PolarHBondContact O-N 3.24Å; I352-H355 PolarHBondContact O-N 2.8Å; I352-Q356 HydrophobicContact CG2-CG 4.44Å; I352-Q356 WeakPolarHBondContact O-CG 3.45Å; I352-Q356 PolarHBondContact O-N 2.86Å
353A93.9Very high91.9Very high2 Ų270.4 Ų70.42%0.01735%0.353CS..Hα-helixtrans-56.8-45.8177.800000111.7V85 V88 L89 W349 Q356 L357V85-A353 HydrophobicContact CG1-CB 4Å; V88-A353 HydrophobicContact CB-CB 4.09Å; V88-A353 HydrophobicContact CG1-CB 3.75Å; L89-A353 HydrophobicContact CD2-CB 3.79Å; L89-A353 WeakPolarHBondContact CD2-O 3.26Å; L89-A353 HydrophobicContact CG-CB 4.03Å; W349-A353 WeakPolarHBondContact O-CB 3.38Å; W349-A353 PolarHBondContact O-N 3.35Å; A353-Q356 PolarHBondContact O-N 2.8Å; A353-L357 WeakPolarHBondContact O-CB 3.16Å; A353-L357 PolarHBondContact O-N 2.96Å
354K91.8Very high91.2Very high128 Ų12865.4 Ų65.456%0.55734%0.343SS*.Hα-helixtrans-64-42177.8-173.6177.7-179.6179.10112.4Q350 A351 I352 L357 Q358Q350-K354 WeakPolarHBondContact O-CB 3.03Å; Q350-K354 PolarHBondContact O-N 3.23Å; A351-K354 PolarHBondContact O-N 2.92Å; I352-K354 VanDerWaalsContact C-N 3.33Å; I352-K354 PolarHBondContact O-N 3.24Å; K354-L357 WeakPolarHBondContact O-CB 3.41Å; K354-Q358 VanDerWaalsContact O-CG 3.31Å; K354-Q358 WeakPolarHBondContact O-CG 3.43Å; K354-Q358 PolarHBondContact O-N 2.77Å; K354-Q358 VanDerWaalsContact O-N 3.13Å
355H93.3Very high90.5Very high75 Ų7567.1 Ų67.135%0.34735%0.351SS..Hα-helixtrans-61.7-49.7176.1173-85.8000111.3A351 I352 L357 Q358 H359A351-H355 WeakPolarHBondContact O-CB 3.48Å; A351-H355 PolarHBondContact O-N 3.06Å; I352-H355 PolarHBondContact O-N 2.8Å; H355-L357 VanDerWaalsContact C-N 3.34Å; H355-L357 PolarHBondContact O-N 2.87Å; H355-Q358 PolarHBondContact O-N 3.36Å; H355-H359 AromaticContact CD2-CD2 3.65Å; H355-H359 AromaticContact NE2-CD2 3.85Å; H355-H359 WeakPolarHBondContact O-CB 3.45Å; H355-H359 PolarHBondContact O-CD2 3.48Å; H355-H359 PolarHBondContact O-N 3.47Å
356Q93.5Very high89.9Confident0 Ų073.4 Ų73.40%038%0.379CS..Hα-helixtrans-64.6-39.8180-71.4178.2-53.700111.7L24 R25 M27 I352 A353 Q358 V360 F361L24-Q356 PolarHBondContact O-NE2 3.41Å; R25-Q356 WeakPolarHBondContact O-CG 3.49Å; M27-Q356 PolarHBondContact O-NE2 2.98Å; I352-Q356 HydrophobicContact CG2-CG 4.44Å; I352-Q356 WeakPolarHBondContact O-CG 3.45Å; I352-Q356 PolarHBondContact O-N 2.86Å; A353-Q356 PolarHBondContact O-N 2.8Å; Q356-Q358 VanDerWaalsContact C-N 3.31Å; Q356-Q358 PolarHBondContact O-N 3.09Å; Q356-V360 HydrophobicContact CB-CB 4.2Å; Q356-V360 HydrophobicContact CB-CG2 4.36Å; Q356-V360 HydrophobicContact CG-CB 4.49Å; Q356-V360 HydrophobicContact CG-CG2 4.24Å; Q356-V360 CarbonylContact O-C 3.51Å; Q356-V360 VanDerWaalsContact O-CA 3.32Å; Q356-V360 WeakPolarHBondContact O-CA 3.22Å; Q356-V360 VanDerWaalsContact O-CB 3.29Å; Q356-V360 WeakPolarHBondContact O-CB 3.09Å; Q356-V360 PolarHBondContact O-N 3.47Å; Q356-F361 HydrophobicContact CB-CD2 3.83Å; Q356-F361 HydrophobicContact CB-CE2 3.64Å; Q356-F361 HydrophobicContact CG-CE2 4.39Å; Q356-F361 PolarHBondContact O-N 3.32Å
357L89.5Confident89.3Confident29 Ų2969.2 Ų69.215%0.15237%0.37CS..Hα-helixtrans-53.3-48.9172.2170.758.7000112L89 V92 F95 A353 K354 H355 S362L89-L357 HydrophobicContact CD2-CB 4.41Å; V92-L357 HydrophobicContact CG1-CD2 4.32Å; F95-L357 HydrophobicContact CB-CD1 4.01Å; F95-L357 HydrophobicContact CB-CD2 4.18Å; F95-L357 HydrophobicContact CD1-CD1 3.93Å; F95-L357 HydrophobicContact CD2-CD1 2.93Å; F95-L357 HydrophobicContact CD2-CG 4.31Å; F95-L357 HydrophobicContact CE1-CD1 4.05Å; F95-L357 HydrophobicContact CE2-CD1 3.06Å; F95-L357 HydrophobicContact CG-CD1 3.36Å; F95-L357 HydrophobicContact CG-CD2 4.36Å; F95-L357 HydrophobicContact CG-CG 4.49Å; F95-L357 HydrophobicContact CZ-CD1 3.62Å; A353-L357 WeakPolarHBondContact O-CB 3.16Å; A353-L357 PolarHBondContact O-N 2.96Å; K354-L357 WeakPolarHBondContact O-CB 3.41Å; H355-L357 VanDerWaalsContact C-N 3.34Å; H355-L357 PolarHBondContact O-N 2.87Å; L357-S362 WeakPolarHBondContact O-CB 3.31Å; L357-S362 PolarHBondContact O-OG 3.2Å
358Q87.3Confident88.7Confident108 Ų10867.7 Ų67.751%0.50535%0.346SS..Hα-helixtrans-76.7-34.3-174.2-70.4177.8-23.200113.6K354 H355 Q356K354-Q358 VanDerWaalsContact O-CG 3.31Å; K354-Q358 WeakPolarHBondContact O-CG 3.43Å; K354-Q358 PolarHBondContact O-N 2.77Å; K354-Q358 VanDerWaalsContact O-N 3.13Å; H355-Q358 PolarHBondContact O-N 3.36Å; Q356-Q358 VanDerWaalsContact C-N 3.31Å; Q356-Q358 PolarHBondContact O-N 3.09Å
359H87.4Confident88Confident135 Ų13570 Ų7063%0.62535%0.352SS*.Hα-helixtrans-119-15.1-167.1-61.2-61.3000114.9H355H355-H359 AromaticContact CD2-CD2 3.65Å; H355-H359 AromaticContact NE2-CD2 3.85Å; H355-H359 WeakPolarHBondContact O-CB 3.45Å; H355-H359 PolarHBondContact O-CD2 3.48Å; H355-H359 PolarHBondContact O-N 3.47Å
360V88.1Confident87.4Confident20 Ų2072.3 Ų72.312%0.12137%0.366CS..THydrogen-bonded Turntrans-119.9-48.6-172.3-177.10000111.5G28 Q356G28-V360 WeakPolarHBondContact O-CG1 3.35Å; Q356-V360 HydrophobicContact CB-CB 4.2Å; Q356-V360 HydrophobicContact CB-CG2 4.36Å; Q356-V360 HydrophobicContact CG-CB 4.49Å; Q356-V360 HydrophobicContact CG-CG2 4.24Å; Q356-V360 CarbonylContact O-C 3.51Å; Q356-V360 VanDerWaalsContact O-CA 3.32Å; Q356-V360 WeakPolarHBondContact O-CA 3.22Å; Q356-V360 VanDerWaalsContact O-CB 3.29Å; Q356-V360 WeakPolarHBondContact O-CB 3.09Å; Q356-V360 PolarHBondContact O-N 3.47Å
361F88.4Confident86.6Confident9 Ų967.6 Ų67.64%0.03934%0.344CS..SBendtrans-98.916.5-176.6-54.5-47000113.8W81 L89 F95 P102 I103 V106 Q356 P363W81-F361 HydrophobicContact CH2-CZ 4.43Å; W81-F361 AromaticContact CZ2-CE2 3.88Å; W81-F361 HydrophobicContact CZ2-CE2 3.88Å; W81-F361 AromaticContact CZ2-CZ 3.82Å; W81-F361 HydrophobicContact CZ2-CZ 3.82Å; L89-F361 HydrophobicContact CD1-CD2 4.17Å; L89-F361 HydrophobicContact CD1-CE2 3.76Å; F95-F361 HydrophobicContact CZ-CB 4.21Å; P102-F361 HydrophobicContact CB-CD1 3.83Å; P102-F361 HydrophobicContact CB-CE1 4.41Å; I103-F361 HydrophobicContact CG1-CB 4.27Å; I103-F361 HydrophobicContact CG1-CD1 3.88Å; I103-F361 HydrophobicContact CG1-CD2 4.17Å; I103-F361 HydrophobicContact CG1-CE1 4.22Å; I103-F361 HydrophobicContact CG1-CG 3.85Å; V106-F361 HydrophobicContact CG2-CE1 3.99Å; V106-F361 HydrophobicContact CG2-CZ 4Å; Q356-F361 HydrophobicContact CB-CD2 3.83Å; Q356-F361 HydrophobicContact CB-CE2 3.64Å; Q356-F361 HydrophobicContact CG-CE2 4.39Å; Q356-F361 PolarHBondContact O-N 3.32Å; F361-P363 WeakPolarHBondContact O-CD 3.49Å
362S82.2Confident85.9Confident75 Ų7566.7 Ų66.752%0.52434%0.336SS..  trans-118.452.6167.9-62.10000112.2L357L357-S362 WeakPolarHBondContact O-CB 3.31Å; L357-S362 PolarHBondContact O-OG 3.2Å
363P80.4Confident85.3Confident42 Ų4271.6 Ų71.627%0.27336%0.359SS..  trans-69.1159.7179.130.6-36.6000112.3P102 F361 D367 L368P102-P363 HydrophobicContact CG-CG 4.02Å; F361-P363 WeakPolarHBondContact O-CD 3.49Å; P363-D367 HydrophobicContact CB-CB 4.14Å; P363-L368 HydrophobicContact CB-CD2 4.43Å; P363-L368 HydrophobicContact CB-CG 4.19Å; P363-L368 HydrophobicContact CG-CD1 4.14Å; P363-L368 HydrophobicContact CG-CD2 3.49Å; P363-L368 VanDerWaalsContact CG-CD2 3.49Å; P363-L368 HydrophobicContact CG-CG 3.6Å
364S82.5Confident84.6Confident57 Ų5775.3 Ų75.340%0.39937%0.373SS..  trans-70.3159.9172.378.10000111.5Q366 D367 L368S364-Q366 PolarHBondContact O-N 2.85Å; S364-Q366 PolarHBondContact OG-N 3.24Å; S364-D367 WeakPolarHBondContact CB-OD2 3.5Å; S364-D367 PolarHBondContact N-OD2 2.59Å; S364-D367 PolarHBondContact O-N 3.03Å; S364-D367 PolarHBondContact OG-N 3.06Å; S364-D367 PolarHBondContact OG-OD2 2.85Å; S364-L368 WeakPolarHBondContact O-CG 3.48Å; S364-L368 PolarHBondContact O-N 3.07Å
365E81.3Confident83.8Confident132 Ų13270.6 Ų70.662%0.61735%0.351SS*.Hα-helixtrans-58.1-32.4174.4-76.1-167.8-17800112.9R369E365-R369 WeakPolarHBondContact O-CG 3.3Å; E365-R369 PolarHBondContact O-N 3.5Å; E365-R369 IonicContact OE2-NH2 2.77Å
366Q83.9Confident83Confident154 Ų15470 Ų7072%0.7236%0.359SS*.Hα-helixtrans-68.8-44.4178.7-175.9173.3-4.600111S364 L368 R369 L370S364-Q366 PolarHBondContact O-N 2.85Å; S364-Q366 PolarHBondContact OG-N 3.24Å; Q366-L368 VanDerWaalsContact C-N 3.35Å; Q366-R369 PolarHBondContact O-N 3.41Å; Q366-L370 PolarHBondContact O-N 3.29Å
367D81.6Confident82.2Confident85 Ų8576.3 Ų76.346%0.45539%0.389SS..Hα-helixtrans-64.2-42.4177.5-56.5-39.4000110.7P363 S364 R369 L370 Q371P363-D367 HydrophobicContact CB-CB 4.14Å; S364-D367 WeakPolarHBondContact CB-OD2 3.5Å; S364-D367 PolarHBondContact N-OD2 2.59Å; S364-D367 PolarHBondContact O-N 3.03Å; S364-D367 PolarHBondContact OG-N 3.06Å; S364-D367 PolarHBondContact OG-OD2 2.85Å; D367-R369 VanDerWaalsContact C-N 3.33Å; D367-R369 PolarHBondContact O-N 3.37Å; D367-L370 PolarHBondContact O-N 3.37Å; D367-Q371 WeakPolarHBondContact O-CB 3.47Å; D367-Q371 PolarHBondContact O-N 3.29Å
368L80.9Confident81.4Confident30 Ų3075.2 Ų75.216%0.15738%0.383CS..Hα-helixtrans-59.2-42.6174.8-76.4170.9000112.3N99 P102 P363 S364 Q366 A372N99-L368 HydrophobicContact CB-CD1 4.25Å; P102-L368 HydrophobicContact CG-CD2 3.61Å; P363-L368 HydrophobicContact CB-CD2 4.43Å; P363-L368 HydrophobicContact CB-CG 4.19Å; P363-L368 HydrophobicContact CG-CD1 4.14Å; P363-L368 HydrophobicContact CG-CD2 3.49Å; P363-L368 VanDerWaalsContact CG-CD2 3.49Å; P363-L368 HydrophobicContact CG-CG 3.6Å; S364-L368 WeakPolarHBondContact O-CG 3.48Å; S364-L368 PolarHBondContact O-N 3.07Å; Q366-L368 VanDerWaalsContact C-N 3.35Å; L368-A372 VanDerWaalsContact O-CB 3.29Å; L368-A372 WeakPolarHBondContact O-CB 3.46Å; L368-A372 PolarHBondContact O-N 3.44Å
369R82.6Confident80.5Confident163 Ų16372.2 Ų72.262%0.61537%0.368SS*.Hα-helixtrans-65-43.3177-78.5-179-174.6144.513.1111.7E365 Q366 D367 A372 Q373E365-R369 WeakPolarHBondContact O-CG 3.3Å; E365-R369 PolarHBondContact O-N 3.5Å; E365-R369 IonicContact OE2-NH2 2.77Å; Q366-R369 PolarHBondContact O-N 3.41Å; D367-R369 VanDerWaalsContact C-N 3.33Å; D367-R369 PolarHBondContact O-N 3.37Å; R369-A372 PolarHBondContact O-N 2.94Å; R369-Q373 WeakPolarHBondContact O-CB 3.44Å; R369-Q373 VanDerWaalsContact O-CG 3.26Å; R369-Q373 WeakPolarHBondContact O-CG 3.38Å; R369-Q373 PolarHBondContact O-N 3.3Å
370L82.6Confident79.5Confident77 Ų7771.5 Ų71.540%0.40336%0.36SS..Hα-helixtrans-63.6-44.3178.4-176.364.6000111.1Q366 D367 Q373 R374Q366-L370 PolarHBondContact O-N 3.29Å; D367-L370 PolarHBondContact O-N 3.37Å; L370-Q373 PolarHBondContact O-N 3.12Å; L370-R374 WeakPolarHBondContact O-CG 3.47Å; L370-R374 PolarHBondContact O-N 3.45Å
371Q77.9Confident78.1Confident21 Ų2175.3 Ų75.310%0.09838%0.379CS..Hα-helixtrans-62.9-43.8177.2-162.8179.91200111.4N33 F101 M105 D367 Q373 R374 W375N33-Q371 VanDerWaalsContact CG-NE2 3.3Å; N33-Q371 PolarHBondContact ND2-NE2 3.46Å; N33-Q371 VanDerWaalsContact ND2-NE2 3.19Å; N33-Q371 PolarHBondContact OD1-NE2 3.21Å; F101-Q371 HydrophobicContact CE1-CB 4.46Å; F101-Q371 HydrophobicContact CE1-CG 4Å; M105-Q371 HydrophobicContact CE-CG 4.33Å; M105-Q371 HydrophobicContact SD-CG 3.92Å; M105-Q371 PolarHBondContact SD-NE2 3.04Å; D367-Q371 WeakPolarHBondContact O-CB 3.47Å; D367-Q371 PolarHBondContact O-N 3.29Å; Q371-Q373 VanDerWaalsContact C-N 3.33Å; Q371-Q373 PolarHBondContact O-N 3.04Å; Q371-R374 PolarHBondContact O-N 3.37Å; Q371-W375 WeakPolarHBondContact O-CB 3.5Å; Q371-W375 PolarHBondContact O-N 2.99Å
372A79.3Confident76.6Confident46 Ų4678.3 Ų78.338%0.3840%0.395SS..Hα-helixtrans-63.8-36.5175.800000112.7L368 R369 A376L368-A372 VanDerWaalsContact O-CB 3.29Å; L368-A372 WeakPolarHBondContact O-CB 3.46Å; L368-A372 PolarHBondContact O-N 3.44Å; R369-A372 PolarHBondContact O-N 2.94Å; A372-A376 WeakPolarHBondContact O-CB 2.89Å; A372-A376 PolarHBondContact O-N 2.81Å
373Q81.9Confident75.8Confident115 Ų11574.8 Ų74.854%0.53737%0.37SS..Hα-helixtrans-65.3-50.8175.5-76.9170.8-8.700111.6R369 L370 Q371 W375 A376 E377R369-Q373 WeakPolarHBondContact O-CB 3.44Å; R369-Q373 VanDerWaalsContact O-CG 3.26Å; R369-Q373 WeakPolarHBondContact O-CG 3.38Å; R369-Q373 PolarHBondContact O-N 3.3Å; L370-Q373 PolarHBondContact O-N 3.12Å; Q371-Q373 VanDerWaalsContact C-N 3.33Å; Q371-Q373 PolarHBondContact O-N 3.04Å; Q373-W375 PolarHBondContact O-N 3.13Å; Q373-A376 PolarHBondContact O-N 2.84Å; Q373-A376 VanDerWaalsContact O-N 3.14Å; Q373-E377 WeakPolarHBondContact O-CG 3.23Å; Q373-E377 PolarHBondContact O-N 2.82Å
374R79.8Confident75.1Confident80 Ų8076.1 Ų76.130%0.30238%0.375SS..Hα-helixtrans-58.2-39.4176.9-69.3178-176.4-1751112.2E37 L370 Q371 E377 T378E37-R374 WeakPolarHBondContact OE1-CD 3.42Å; L370-R374 WeakPolarHBondContact O-CG 3.47Å; L370-R374 PolarHBondContact O-N 3.45Å; Q371-R374 PolarHBondContact O-N 3.37Å; R374-E377 PolarHBondContact O-N 2.98Å; R374-T378 PolarHBondContact O-N 3.47Å; R374-T378 PolarHBondContact O-OG1 3.2Å
375W76.4Confident74.2Confident29 Ų2977.3 Ų77.311%0.1137%0.374CS..Hα-helixtrans-65.7-47.5175.4-164.2-102.9000111.8H36 F101 M105 H108 Q371 Q373 E377 T378 Y379H36-W375 AromaticContact CD2-CH2 3.6Å; H36-W375 AromaticContact CD2-CZ3 3.25Å; H36-W375 WeakPolarHBondContact CD2-CZ3 3.08Å; H36-W375 AromaticContact CE1-CH2 3.77Å; H36-W375 AromaticContact NE2-CH2 2.9Å; H36-W375 WeakPolarHBondContact NE2-CH2 3.41Å; H36-W375 AromaticContact NE2-CZ2 3.95Å; H36-W375 AromaticContact NE2-CZ3 3.13Å; H36-W375 WeakPolarHBondContact NE2-CZ3 3.21Å; F101-W375 AromaticContact CE2-CD1 3.96Å; F101-W375 HydrophobicContact CE2-CG 4.24Å; F101-W375 HydrophobicContact CZ-CB 3.84Å; F101-W375 AromaticContact CZ-CD1 3.87Å; F101-W375 HydrophobicContact CZ-CD2 4.26Å; F101-W375 AromaticContact CZ-CG 3.69Å; F101-W375 HydrophobicContact CZ-CG 3.69Å; M105-W375 HydrophobicContact CE-CD2 4.47Å; M105-W375 HydrophobicContact CE-CE3 3.77Å; M105-W375 HydrophobicContact CE-CZ3 3.98Å; H108-W375 AromaticContact ND1-CH2 3.88Å; H108-W375 AromaticContact ND1-CZ2 3.89Å; Q371-W375 WeakPolarHBondContact O-CB 3.5Å; Q371-W375 PolarHBondContact O-N 2.99Å; Q373-W375 PolarHBondContact O-N 3.13Å; W375-E377 VanDerWaalsContact C-N 3.25Å; W375-E377 PolarHBondContact O-N 2.88Å; W375-T378 WeakPolarHBondContact O-CB 3.46Å; W375-T378 PolarHBondContact O-N 3.14Å; W375-Y379 AromaticContact CD1-CD2 3.9Å; W375-Y379 AromaticContact CD2-CD2 3.92Å; W375-Y379 HydrophobicContact CD2-CD2 3.92Å; W375-Y379 AromaticContact CD2-CE2 3.65Å; W375-Y379 HydrophobicContact CD2-CE2 3.65Å; W375-Y379 AromaticContact CE2-CD2 3.61Å; W375-Y379 AromaticContact CE2-CE2 3.13Å; W375-Y379 AromaticContact CE2-CZ 3.9Å; W375-Y379 HydrophobicContact CE3-CE2 4Å; W375-Y379 HydrophobicContact CG-CD2 4.15Å; W375-Y379 HydrophobicContact CG-CE2 4.35Å; W375-Y379 AromaticContact CH2-CE2 3.39Å; W375-Y379 HydrophobicContact CH2-CE2 3.39Å; W375-Y379 AromaticContact CH2-CZ 3.81Å; W375-Y379 WeakPolarHBondContact CH2-OH 3.49Å; W375-Y379 HydrophobicContact CZ2-CD2 4.01Å; W375-Y379 AromaticContact CZ2-CE2 3.05Å; W375-Y379 HydrophobicContact CZ2-CE2 3.05Å; W375-Y379 AromaticContact CZ2-CZ 3.42Å; W375-Y379 VanDerWaalsContact CZ2-CZ 3.42Å; W375-Y379 VanDerWaalsContact CZ2-OH 3.23Å; W375-Y379 WeakPolarHBondContact CZ2-OH 3.27Å; W375-Y379 AromaticContact CZ3-CE2 3.86Å; W375-Y379 HydrophobicContact CZ3-CE2 3.86Å; W375-Y379 AromaticContact NE1-CD2 3.56Å; W375-Y379 AromaticContact NE1-CE2 3.53Å; W375-Y379 WeakPolarHBondContact O-CD2 3.47Å; W375-Y379 PolarHBondContact O-N 3.31Å
376A75.3Confident73.2Confident62 Ų6272.4 Ų72.451%0.51236%0.356SS..Hα-helixtrans-60.5-34.7176.600000112.7A372 Q373 T378 Y379 R380A372-A376 WeakPolarHBondContact O-CB 2.89Å; A372-A376 PolarHBondContact O-N 2.81Å; Q373-A376 PolarHBondContact O-N 2.84Å; Q373-A376 VanDerWaalsContact O-N 3.14Å; A376-T378 VanDerWaalsContact C-N 3.34Å; A376-Y379 CarbonylContact O-C 3.31Å; A376-Y379 PolarHBondContact O-N 2.73Å; A376-R380 PolarHBondContact O-N 3.06Å
377E76Confident72.2Confident133 Ų13365.9 Ų65.962%0.62133%0.327SS*.Hα-helixtrans-68.9-30.2173.2-73172.1-17400113.1Q373 R374 W375 R380Q373-E377 WeakPolarHBondContact O-CG 3.23Å; Q373-E377 PolarHBondContact O-N 2.82Å; R374-E377 PolarHBondContact O-N 2.98Å; W375-E377 VanDerWaalsContact C-N 3.25Å; W375-E377 PolarHBondContact O-N 2.88Å; E377-R380 WeakPolarHBondContact O-CG 3.26Å
378T73.3Confident71.3Confident6 Ų664 Ų644%0.03732%0.324CS..Hα-helixtrans-74-39.1175.4-57.80000110.1E40 K41 M44 R374 W375 A376 R380E40-T378 HydrophobicContact CB-CG2 4Å; E40-T378 HydrophobicContact CG-CG2 3.82Å; K41-T378 HydrophobicContact CG-CG2 4.3Å; M44-T378 HydrophobicContact CE-CG2 3.33Å; M44-T378 WeakPolarHBondContact CE-O 3.4Å; R374-T378 PolarHBondContact O-N 3.47Å; R374-T378 PolarHBondContact O-OG1 3.2Å; W375-T378 WeakPolarHBondContact O-CB 3.46Å; W375-T378 PolarHBondContact O-N 3.14Å; A376-T378 VanDerWaalsContact C-N 3.34Å; T378-R380 PolarHBondContact O-N 2.89Å
379Y68.6Low70.1Confident45 Ų4567.9 Ų67.918%0.17635%0.35CS..THydrogen-bonded Turntrans-99.447.3-179.2-71.5-92.6000113.5E40 H108 W375 A376 L384E40-Y379 HydrophobicContact CG-CE1 4.49Å; E40-Y379 HydrophobicContact CG-CE2 3.82Å; E40-Y379 VanDerWaalsContact CG-OH 3.22Å; E40-Y379 WeakPolarHBondContact CG-OH 3.29Å; E40-Y379 PolarHBondContact OE1-OH 2.92Å; E40-Y379 PolarHBondContact OE2-OH 3.39Å; H108-Y379 PolarHBondContact CE1-OH 2.72Å; W375-Y379 AromaticContact CD1-CD2 3.9Å; W375-Y379 AromaticContact CD2-CD2 3.92Å; W375-Y379 HydrophobicContact CD2-CD2 3.92Å; W375-Y379 AromaticContact CD2-CE2 3.65Å; W375-Y379 HydrophobicContact CD2-CE2 3.65Å; W375-Y379 AromaticContact CE2-CD2 3.61Å; W375-Y379 AromaticContact CE2-CE2 3.13Å; W375-Y379 AromaticContact CE2-CZ 3.9Å; W375-Y379 HydrophobicContact CE3-CE2 4Å; W375-Y379 HydrophobicContact CG-CD2 4.15Å; W375-Y379 HydrophobicContact CG-CE2 4.35Å; W375-Y379 AromaticContact CH2-CE2 3.39Å; W375-Y379 HydrophobicContact CH2-CE2 3.39Å; W375-Y379 AromaticContact CH2-CZ 3.81Å; W375-Y379 WeakPolarHBondContact CH2-OH 3.49Å; W375-Y379 HydrophobicContact CZ2-CD2 4.01Å; W375-Y379 AromaticContact CZ2-CE2 3.05Å; W375-Y379 HydrophobicContact CZ2-CE2 3.05Å; W375-Y379 AromaticContact CZ2-CZ 3.42Å; W375-Y379 VanDerWaalsContact CZ2-CZ 3.42Å; W375-Y379 VanDerWaalsContact CZ2-OH 3.23Å; W375-Y379 WeakPolarHBondContact CZ2-OH 3.27Å; W375-Y379 AromaticContact CZ3-CE2 3.86Å; W375-Y379 HydrophobicContact CZ3-CE2 3.86Å; W375-Y379 AromaticContact NE1-CD2 3.56Å; W375-Y379 AromaticContact NE1-CE2 3.53Å; W375-Y379 WeakPolarHBondContact O-CD2 3.47Å; W375-Y379 PolarHBondContact O-N 3.31Å; A376-Y379 CarbonylContact O-C 3.31Å; A376-Y379 PolarHBondContact O-N 2.73Å; Y379-L384 HydrophobicContact CD1-CD1 4.34Å; Y379-L384 HydrophobicContact CD1-CD2 3.61Å; Y379-L384 HydrophobicContact CD1-CG 4.3Å; Y379-L384 HydrophobicContact CE1-CD2 4.29Å
380R67.1Low69.2Low120 Ų12062.3 Ų62.345%0.45333%0.331SS..  trans-61.8142.3174.6-62.2-179.1-61.6168.93.7110.3A376 E377 T378 D382 V383 L384A376-R380 PolarHBondContact O-N 3.06Å; E377-R380 WeakPolarHBondContact O-CG 3.26Å; T378-R380 PolarHBondContact O-N 2.89Å; R380-D382 VanDerWaalsContact C-N 3.29Å; R380-D382 WeakPolarHBondContact CB-OD1 3.33Å; R380-D382 PolarHBondContact O-N 3.04Å; R380-V383 HydrophobicContact CB-CG2 4.19Å; R380-V383 WeakPolarHBondContact O-CB 3.45Å; R380-V383 PolarHBondContact O-N 2.97Å; R380-V383 VanDerWaalsContact O-N 3.09Å; R380-L384 PolarHBondContact O-N 3.14Å
381L59.2Low68.5Low100 Ų10067.2 Ų67.252%0.52435%0.345SS..Hα-helixtrans-63-34.5-170.5-17665000113.4E385L381-E385 PolarHBondContact O-N 3.46Å; L381-E385 VanDerWaalsContact O-N 3.1Å
382D56.9Low68.2Low73 Ų7367.9 Ų67.939%0.3935%0.35SS..Hα-helixtrans-65.1-41174.257.4-29.3000112R380 E385 A386R380-D382 VanDerWaalsContact C-N 3.29Å; R380-D382 WeakPolarHBondContact CB-OD1 3.33Å; R380-D382 PolarHBondContact O-N 3.04Å; D382-E385 PolarHBondContact O-N 2.82Å; D382-A386 WeakPolarHBondContact O-CB 3.34Å; D382-A386 PolarHBondContact O-N 3.12Å; D382-A386 VanDerWaalsContact O-N 3.07Å
383V65.1Low68.3Low0 Ų070 Ų700%035%0.348CS..Hα-helixtrans-65.2-49.6174.8174.80000110.4L4 L6 M44 R380 E385 A386 V387L4-V383 HydrophobicContact CD2-CG2 4.46Å; L6-V383 HydrophobicContact CD1-CG1 3.64Å; L6-V383 HydrophobicContact CD2-CG1 4Å; L6-V383 HydrophobicContact CD2-CG2 3.74Å; L6-V383 HydrophobicContact CG-CG1 4.11Å; L6-V383 HydrophobicContact CG-CG2 4.18Å; M44-V383 HydrophobicContact CB-CG1 4.47Å; M44-V383 HydrophobicContact CG-CG1 4.47Å; M44-V383 HydrophobicContact SD-CG1 3.45Å; M44-V383 WeakPolarHBondContact SD-CG1 3.49Å; R380-V383 HydrophobicContact CB-CG2 4.19Å; R380-V383 WeakPolarHBondContact O-CB 3.45Å; R380-V383 PolarHBondContact O-N 2.97Å; R380-V383 VanDerWaalsContact O-N 3.09Å; V383-E385 PolarHBondContact O-N 3.01Å; V383-A386 PolarHBondContact O-N 3.16Å; V383-V387 WeakPolarHBondContact O-CG2 3.13Å; V383-V387 PolarHBondContact O-N 3.02Å
384L64.9Low68.3Low71 Ų7164.6 Ų64.637%0.37232%0.323SS..Hα-helixtrans-58.1-34.8179.2-76.5174.5000113.1Y379 R380 A388Y379-L384 HydrophobicContact CD1-CD1 4.34Å; Y379-L384 HydrophobicContact CD1-CD2 3.61Å; Y379-L384 HydrophobicContact CD1-CG 4.3Å; Y379-L384 HydrophobicContact CE1-CD2 4.29Å; R380-L384 PolarHBondContact O-N 3.14Å; L384-A388 PolarHBondContact O-N 2.72Å
385E63.3Low68.6Low81 Ų8162.6 Ų62.638%0.37932%0.324SS..Hα-helixtrans-69.6-43.2172.9170.9175.3-138.600112.1L381 D382 V383 V387 A388 R404 W412L381-E385 PolarHBondContact O-N 3.46Å; L381-E385 VanDerWaalsContact O-N 3.1Å; D382-E385 PolarHBondContact O-N 2.82Å; V383-E385 PolarHBondContact O-N 3.01Å; E385-V387 VanDerWaalsContact C-N 3.3Å; E385-V387 PolarHBondContact O-N 3.4Å; E385-A388 WeakPolarHBondContact O-CB 3.43Å; E385-A388 PolarHBondContact O-N 2.81Å; E385-R404 IonicContact OE1-CZ 2.72Å; E385-R404 IonicContact OE1-NE 3.6Å; E385-R404 IonicContact OE1-NH2 2.76Å; E385-R404 PolarHBondContact OE1-NH2 3.39Å; E385-R404 IonicContact OE2-CZ 2.73Å; E385-R404 VanDerWaalsContact OE2-CZ 3.3Å; E385-R404 IonicContact OE2-NH1 2.92Å; E385-R404 IonicContact OE2-NH2 3.31Å; E385-R404 PolarHBondContact OE2-NH2 2.75Å; E385-W412 WeakPolarHBondContact OE1-CH2 3.27Å; E385-W412 WeakPolarHBondContact OE1-CZ2 3.45Å
386A59.7Low69Low29 Ų2966.9 Ų66.924%0.2434%0.341CS..Hα-helixtrans-67.2-31.5-17800000112.7L4 L48 D382 V383L4-A386 HydrophobicContact CD1-CB 4.14Å; L4-A386 HydrophobicContact CD2-CB 3.7Å; L48-A386 HydrophobicContact CD2-CB 3.54Å; D382-A386 WeakPolarHBondContact O-CB 3.34Å; D382-A386 PolarHBondContact O-N 3.12Å; D382-A386 VanDerWaalsContact O-N 3.07Å; V383-A386 PolarHBondContact O-N 3.16Å
387V63.3Low69.3Low18 Ų1866.7 Ų66.711%0.10934%0.336CS..THydrogen-bonded Turntrans-890.4175.7-59.40000113.9M44 I47 L48 V383 E385M44-V387 HydrophobicContact CB-CG1 4.23Å; M44-V387 HydrophobicContact CG-CG1 4.48Å; I47-V387 HydrophobicContact CB-CB 4.22Å; I47-V387 HydrophobicContact CB-CG1 4.12Å; I47-V387 HydrophobicContact CD1-CB 4.34Å; I47-V387 HydrophobicContact CG2-CB 3.74Å; I47-V387 HydrophobicContact CG2-CG1 4.09Å; L48-V387 HydrophobicContact CD1-CG1 4.48Å; L48-V387 HydrophobicContact CD2-CG1 3.59Å; L48-V387 HydrophobicContact CG-CG1 3.67Å; V383-V387 WeakPolarHBondContact O-CG2 3.13Å; V383-V387 PolarHBondContact O-N 3.02Å; E385-V387 VanDerWaalsContact C-N 3.3Å; E385-V387 PolarHBondContact O-N 3.4Å
388A63.4Low69.4Low46 Ų4663.9 Ų63.938%0.3833%0.331SS..  trans-68.8126.2-177.500000110.8L384 E385 E390L384-A388 PolarHBondContact O-N 2.72Å; E385-A388 WeakPolarHBondContact O-CB 3.43Å; E385-A388 PolarHBondContact O-N 2.81Å; A388-E390 VanDerWaalsContact C-N 3.26Å; A388-E390 PolarHBondContact O-N 2.93Å
389P55.9Low69.6Low111 Ų11165.8 Ų65.872%0.72135%0.347SS*.SBendtrans-70.5-17.2-172.325.9-34.3000114.3
390E64.3Low70.1Confident45 Ų4569 Ų6921%0.2136%0.364CS..SBendtrans-125.2141.5179.8-66.3-11612700110.9E240 K257 A388 R393E240-E390 HydrophobicContact CG-CG 4.21Å; K257-E390 IonicContact NZ-OE1 3.83Å; K257-E390 PolarHBondContact NZ-OE1 2.86Å; A388-E390 VanDerWaalsContact C-N 3.26Å; A388-E390 PolarHBondContact O-N 2.93Å; E390-R393 IonicContact OE2-CZ 3.79Å; E390-R393 IonicContact OE2-NE 2.75Å; E390-R393 PolarHBondContact OE2-NE 3.12Å; E390-R393 IonicContact OE2-NH2 3.13Å; E390-R393 PolarHBondContact OE2-NH2 3.01Å
391R67Low70.9Confident181 Ų18163.4 Ų63.468%0.68334%0.344SS*.PPolyproline II helixtrans-60.1136.1166.7-61.2-123.8-169.9114-6.5108.5E400R391-E400 HydrophobicContact CB-CG 3.72Å; R391-E400 WeakPolarHBondContact CB-OE1 3.5Å; R391-E400 WeakPolarHBondContact CD-OE1 3.39Å; R391-E400 HydrophobicContact CG-CG 4.48Å; R391-E400 WeakPolarHBondContact CG-OE1 3.48Å; R391-E400 IonicContact CZ-OE1 2.83Å; R391-E400 IonicContact NE-OE1 2.63Å; R391-E400 IonicContact NH1-OE1 2.7Å; R391-E400 PolarHBondContact NH1-OE1 3.36Å
392P72.4Confident71.8Confident34 Ų3463.2 Ų63.222%0.22135%0.35CS..PPolyproline II helixtrans-58.1146.8-175.521.9-31000110.6A401 W412P392-A401 WeakPolarHBondContact O-CA 3.32Å; P392-A401 VanDerWaalsContact O-CB 3.28Å; P392-A401 WeakPolarHBondContact O-CB 3.48Å; P392-A401 PolarHBondContact O-N 3.42Å; P392-W412 HydrophobicContact CB-CB 3.94Å; P392-W412 HydrophobicContact CB-CD2 3.34Å; P392-W412 HydrophobicContact CB-CE3 3.83Å; P392-W412 HydrophobicContact CB-CG 3.41Å; P392-W412 VanDerWaalsContact CB-CG 3.41Å; P392-W412 HydrophobicContact CB-CH2 4.5Å; P392-W412 HydrophobicContact CB-CZ2 4.1Å; P392-W412 HydrophobicContact CB-CZ3 4.39Å; P392-W412 HydrophobicContact CG-CD2 3.42Å; P392-W412 VanDerWaalsContact CG-CD2 3.42Å; P392-W412 HydrophobicContact CG-CE3 3.39Å; P392-W412 HydrophobicContact CG-CG 4.06Å; P392-W412 HydrophobicContact CG-CH2 3.63Å; P392-W412 HydrophobicContact CG-CZ2 3.65Å; P392-W412 HydrophobicContact CG-CZ3 3.51Å
393R80.4Confident73Confident90 Ų9065.4 Ų65.434%0.3436%0.357SS..BIsolated β-bridgetrans-102.1151.5179.1-64.5-178-175.2-109.15.6111.3E240 E390 A395 A399E240-R393 IonicContact OE2-NH2 3.3Å; E390-R393 IonicContact OE2-CZ 3.79Å; E390-R393 IonicContact OE2-NE 2.75Å; E390-R393 PolarHBondContact OE2-NE 3.12Å; E390-R393 IonicContact OE2-NH2 3.13Å; E390-R393 PolarHBondContact OE2-NH2 3.01Å; R393-A395 PolarHBondContact O-N 2.91Å; R393-A399 CarbonylContact C-O 3.48Å; R393-A399 WeakPolarHBondContact CA-O 3.22Å
394C83.2Confident74Confident2 Ų268.6 Ų68.61%0.01437%0.369CS..PPolyproline II helixtrans-69.3123.9-179.8-178.70000110.4Y396 C397 S398 A399 A401 C414 C418C394-Y396 PolarHBondContact O-N 3.45Å; C394-C397 PolarHBondContact O-N 3.13Å; C394-S398 VanDerWaalsContact O-CA 3.31Å; C394-S398 WeakPolarHBondContact O-CA 3.38Å; C394-S398 PolarHBondContact O-N 3.3Å; C394-A399 VanDerWaalsContact CB-O 3.27Å; C394-A399 WeakPolarHBondContact CB-O 3.49Å; C394-A399 PolarHBondContact N-O 3.12Å; C394-A401 HydrophobicContact CB-CB 4.33Å; C394-C414 HydrophobicContact CB-CB 4.01Å; C394-C414 PolarHBondContact SG-N 3.29Å; C394-C418 WeakPolarHBondContact SG-CB 3.04Å
395A84.3Confident75.1Confident39 Ų3965.3 Ų65.332%0.32235%0.351SS..THydrogen-bonded Turntrans-61.7-13.7-178.700000114.7R393 E411 W412 Y413R393-A395 PolarHBondContact O-N 2.91Å; A395-E411 HydrophobicContact CB-CG 3.95Å; A395-E411 WeakPolarHBondContact CB-OE1 3.37Å; A395-W412 PolarHBondContact N-O 3.41Å; A395-Y413 HydrophobicContact CB-CD1 4.45Å; A395-Y413 HydrophobicContact CB-CE1 3.86Å
396Y86.6Confident76Confident118 Ų11866.5 Ų66.546%0.46337%0.368SS..THydrogen-bonded Turntrans-99.6-51.2178.1-172.3-101.7000113.6C394 C418 K421 H422C394-Y396 PolarHBondContact O-N 3.45Å; Y396-C418 HydrophobicContact CD1-CB 4.33Å; Y396-C418 HydrophobicContact CG-CB 4.38Å; Y396-K421 HydrophobicContact CD1-CB 4.41Å; Y396-K421 HydrophobicContact CD1-CD 4.34Å; Y396-K421 HydrophobicContact CD2-CB 3.89Å; Y396-K421 HydrophobicContact CE1-CB 4.12Å; Y396-K421 HydrophobicContact CE1-CD 3.64Å; Y396-K421 HydrophobicContact CE2-CB 3.55Å; Y396-K421 HydrophobicContact CE2-CD 4.47Å; Y396-K421 HydrophobicContact CG-CB 4.31Å; Y396-H422 HydrophobicContact CD2-CB 4.01Å
397C81.3Confident77Confident59 Ų5970.8 Ų70.840%0.39938%0.379SS..THydrogen-bonded Turntrans-113.50.5-170.966.90000114.5C394 A399C394-C397 PolarHBondContact O-N 3.13Å; C397-A399 PolarHBondContact O-N 2.86Å
398S77.8Confident78Confident73 Ų7370.1 Ų70.151%0.5138%0.375SS..  trans61.62.9-179.1-49.50000116.3C394C394-S398 VanDerWaalsContact O-CA 3.31Å; C394-S398 WeakPolarHBondContact O-CA 3.38Å; C394-S398 PolarHBondContact O-N 3.3Å
399A77.9Confident78.8Confident47 Ų4771.7 Ų71.739%0.38837%0.374SS..SBendtrans-68.7159.8171.300000111.5R393 C394 C397 A401R393-A399 CarbonylContact C-O 3.48Å; R393-A399 WeakPolarHBondContact CA-O 3.22Å; C394-A399 VanDerWaalsContact CB-O 3.27Å; C394-A399 WeakPolarHBondContact CB-O 3.49Å; C394-A399 PolarHBondContact N-O 3.12Å; C397-A399 PolarHBondContact O-N 2.86Å; A399-A401 PolarHBondContact O-N 2.84Å
400E77.5Confident79.9Confident111 Ų11172 Ų7252%0.51937%0.37SS..BIsolated β-bridgetrans-54.9130.2177.3-159.4179.4165.900111.4R391 C414R391-E400 HydrophobicContact CB-CG 3.72Å; R391-E400 WeakPolarHBondContact CB-OE1 3.5Å; R391-E400 WeakPolarHBondContact CD-OE1 3.39Å; R391-E400 HydrophobicContact CG-CG 4.48Å; R391-E400 WeakPolarHBondContact CG-OE1 3.48Å; R391-E400 IonicContact CZ-OE1 2.83Å; R391-E400 IonicContact NE-OE1 2.63Å; R391-E400 IonicContact NH1-OE1 2.7Å; R391-E400 PolarHBondContact NH1-OE1 3.36Å; E400-C414 VanDerWaalsContact O-CB 3.27Å; E400-C414 WeakPolarHBondContact O-CB 3.28Å
401A83.8Confident80.8Confident4 Ų472.7 Ų72.73%0.03337%0.373CS..  trans-111.3145.8-175.600000111.3P392 C394 A399 W412 Y413P392-A401 WeakPolarHBondContact O-CA 3.32Å; P392-A401 VanDerWaalsContact O-CB 3.28Å; P392-A401 WeakPolarHBondContact O-CB 3.48Å; P392-A401 PolarHBondContact O-N 3.42Å; C394-A401 HydrophobicContact CB-CB 4.33Å; A399-A401 PolarHBondContact O-N 2.84Å; A401-W412 HydrophobicContact CB-CB 3.99Å; A401-Y413 WeakPolarHBondContact CB-O 3.44Å
402S79.9Confident81.7Confident95 Ų9566.6 Ų66.666%0.66435%0.35SS*.  trans-130.1-3.4177.855.70000112.7
403K81.8Confident82.4Confident120 Ų12065 Ų6552%0.52234%0.34SS..EExtended strand (participates in β ladder)trans-121.5135-175.1-60.8179.9-1801780110.8W412 Y413K403-W412 WeakPolarHBondContact O-CA 3.37Å; K403-Y413 WeakPolarHBondContact CB-O 3.39Å; K403-Y413 PolarHBondContact N-O 2.95Å; K403-Y413 VanDerWaalsContact N-O 3.12Å; K403-Y413 PolarHBondContact O-N 2.84Å
404R85.3Confident82.8Confident67 Ų6762.4 Ų62.425%0.25333%0.334SS..EExtended strand (participates in β ladder)trans-93155.3171.5-67.3176.7173.9-162.4-9.4111.3E385 S406 Q409 E411 W412E385-R404 IonicContact OE1-CZ 2.72Å; E385-R404 IonicContact OE1-NE 3.6Å; E385-R404 IonicContact OE1-NH2 2.76Å; E385-R404 PolarHBondContact OE1-NH2 3.39Å; E385-R404 IonicContact OE2-CZ 2.73Å; E385-R404 VanDerWaalsContact OE2-CZ 3.3Å; E385-R404 IonicContact OE2-NH1 2.92Å; E385-R404 IonicContact OE2-NH2 3.31Å; E385-R404 PolarHBondContact OE2-NH2 2.75Å; R404-S406 PolarHBondContact O-N 3.33Å; R404-S406 VanDerWaalsContact O-N 3.12Å; R404-Q409 WeakPolarHBondContact CD-O 3.25Å; R404-E411 CarbonylContact C-O 3.54Å; R404-E411 WeakPolarHBondContact CA-O 3.13Å; R404-W412 HydrophobicContact CG-CD2 3.89Å; R404-W412 HydrophobicContact CG-CE3 3.72Å; R404-W412 HydrophobicContact CG-CH2 3.73Å; R404-W412 HydrophobicContact CG-CZ2 3.89Å; R404-W412 HydrophobicContact CG-CZ3 3.63Å; R404-W412 VanDerWaalsContact NH2-CZ2 3.28Å
405C87.3Confident83Confident1 Ų164.1 Ų64.11%0.00735%0.346CS..  trans-59.7115.8163.2-177.80000109.2R407 Q409 E411 Y413 Q419 H426 C430C405-R407 PolarHBondContact O-N 2.75Å; C405-Q409 WeakPolarHBondContact O-CA 3.31Å; C405-Q409 PolarHBondContact O-N 2.99Å; C405-E411 HydrophobicContact CB-CB 4.38Å; C405-E411 PolarHBondContact N-O 3.43Å; C405-Y413 HydrophobicContact CB-CE2 4.43Å; C405-Q419 PolarHBondContact SG-NE2 2.94Å; C405-Q419 VanDerWaalsContact SG-NE2 3.36Å; C405-H426 PolarHBondContact SG-NE2 3.04Å; C405-H426 VanDerWaalsContact SG-NE2 3.42Å; C405-C430 VanDerWaalsContact SG-SG 3.65Å
406S83.8Confident83.2Confident106 Ų10669.1 Ų69.174%0.74136%0.357SS*.THydrogen-bonded Turntrans-62.3-14.2-178.253.80000114.6R404R404-S406 PolarHBondContact O-N 3.33Å; R404-S406 VanDerWaalsContact O-N 3.12Å
407R80.7Confident83.4Confident120 Ų12070.1 Ų70.145%0.45337%0.365SS..THydrogen-bonded Turntrans-88.9-52.9-179.3-172177.3-175.5-174.41.1112.7C405 L432 A433C405-R407 PolarHBondContact O-N 2.75Å; R407-L432 HydrophobicContact CG-CG 4.15Å; R407-L432 WeakPolarHBondContact O-CA 3.41Å; R407-A433 PolarHBondContact O-N 3.07Å; R407-A433 VanDerWaalsContact O-N 3.09Å
408C83.9Confident83.9Confident4 Ų467.8 Ų67.83%0.02735%0.35CS..THydrogen-bonded Turntrans-103.2-17.6-176.768.50000114.4N410 H426 V431C408-N410 PolarHBondContact O-N 2.75Å; C408-N410 PolarHBondContact O-OD1 3.14Å; C408-N410 PolarHBondContact SG-N 2.99Å; C408-H426 PolarHBondContact SG-CE1 2.75Å; C408-V431 WeakPolarHBondContact CA-O 3.47Å; C408-V431 WeakPolarHBondContact CB-O 3.35Å
409Q80.1Confident84.5Confident78 Ų7865 Ų6536%0.36433%0.329SS..SBendtrans56.60-173.7-53.9-174.929.600116.1R404 C405 A433R404-Q409 WeakPolarHBondContact CD-O 3.25Å; C405-Q409 WeakPolarHBondContact O-CA 3.31Å; C405-Q409 PolarHBondContact O-N 2.99Å; Q409-A433 HydrophobicContact CB-CB 4.46Å; Q409-A433 HydrophobicContact CG-CB 4.27Å
410N77.6Confident85.2Confident118 Ų11866.7 Ų66.763%0.63133%0.334SS*.  trans-89.2-20-176.4-70.6-9.4000114.6C408C408-N410 PolarHBondContact O-N 2.75Å; C408-N410 PolarHBondContact O-OD1 3.14Å; C408-N410 PolarHBondContact SG-N 2.99Å
411E84.2Confident85.8Confident59 Ų5967.3 Ų67.328%0.27634%0.335SS..  trans-114.6140.5-173.8-162.880.3-112.800112.1A395 R404 C405 Y413 H426A395-E411 HydrophobicContact CB-CG 3.95Å; A395-E411 WeakPolarHBondContact CB-OE1 3.37Å; R404-E411 CarbonylContact C-O 3.54Å; R404-E411 WeakPolarHBondContact CA-O 3.13Å; C405-E411 HydrophobicContact CB-CB 4.38Å; C405-E411 PolarHBondContact N-O 3.43Å; E411-Y413 HydrophobicContact CB-CE2 4.01Å; E411-Y413 HydrophobicContact CG-CE2 3.68Å; E411-Y413 WeakPolarHBondContact CG-OH 3.31Å; E411-H426 WeakPolarHBondContact CB-CE1 3.36Å; E411-H426 IonicContact OE2-CE1 3.65Å; E411-H426 IonicContact OE2-ND1 2.74Å; E411-H426 PolarHBondContact OE2-ND1 3.22Å; E411-H426 VanDerWaalsContact OE2-ND1 3.13Å
412W86.4Confident86.1Confident53 Ų5368.4 Ų68.420%0.20134%0.339CS..EExtended strand (participates in β ladder)trans-109.7141.4-171.1-70.898.5000113.8E385 P392 A395 A401 K403 R404E385-W412 WeakPolarHBondContact OE1-CH2 3.27Å; E385-W412 WeakPolarHBondContact OE1-CZ2 3.45Å; P392-W412 HydrophobicContact CB-CB 3.94Å; P392-W412 HydrophobicContact CB-CD2 3.34Å; P392-W412 HydrophobicContact CB-CE3 3.83Å; P392-W412 HydrophobicContact CB-CG 3.41Å; P392-W412 VanDerWaalsContact CB-CG 3.41Å; P392-W412 HydrophobicContact CB-CH2 4.5Å; P392-W412 HydrophobicContact CB-CZ2 4.1Å; P392-W412 HydrophobicContact CB-CZ3 4.39Å; P392-W412 HydrophobicContact CG-CD2 3.42Å; P392-W412 VanDerWaalsContact CG-CD2 3.42Å; P392-W412 HydrophobicContact CG-CE3 3.39Å; P392-W412 HydrophobicContact CG-CG 4.06Å; P392-W412 HydrophobicContact CG-CH2 3.63Å; P392-W412 HydrophobicContact CG-CZ2 3.65Å; P392-W412 HydrophobicContact CG-CZ3 3.51Å; A395-W412 PolarHBondContact N-O 3.41Å; A401-W412 HydrophobicContact CB-CB 3.99Å; K403-W412 WeakPolarHBondContact O-CA 3.37Å; R404-W412 HydrophobicContact CG-CD2 3.89Å; R404-W412 HydrophobicContact CG-CE3 3.72Å; R404-W412 HydrophobicContact CG-CH2 3.73Å; R404-W412 HydrophobicContact CG-CZ2 3.89Å; R404-W412 HydrophobicContact CG-CZ3 3.63Å; R404-W412 VanDerWaalsContact NH2-CZ2 3.28Å
413Y87.8Confident86.6Confident2 Ų268.3 Ų68.31%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-142.4142.2-179.9-60.6-78.4000111.6A395 A401 K403 C405 E411 C415 C418 Q419 H422 H426A395-Y413 HydrophobicContact CB-CD1 4.45Å; A395-Y413 HydrophobicContact CB-CE1 3.86Å; A401-Y413 WeakPolarHBondContact CB-O 3.44Å; K403-Y413 WeakPolarHBondContact CB-O 3.39Å; K403-Y413 PolarHBondContact N-O 2.95Å; K403-Y413 VanDerWaalsContact N-O 3.12Å; K403-Y413 PolarHBondContact O-N 2.84Å; C405-Y413 HydrophobicContact CB-CE2 4.43Å; E411-Y413 HydrophobicContact CB-CE2 4.01Å; E411-Y413 HydrophobicContact CG-CE2 3.68Å; E411-Y413 WeakPolarHBondContact CG-OH 3.31Å; Y413-C415 VanDerWaalsContact C-N 3.33Å; Y413-C418 HydrophobicContact CD1-CB 4.19Å; Y413-Q419 VanDerWaalsContact CD1-CA 3.49Å; Y413-Q419 HydrophobicContact CD1-CB 3.9Å; Y413-Q419 HydrophobicContact CD2-CB 3.72Å; Y413-Q419 HydrophobicContact CD2-CG 3.74Å; Y413-Q419 HydrophobicContact CE1-CB 4.13Å; Y413-Q419 HydrophobicContact CE1-CG 4.43Å; Y413-Q419 HydrophobicContact CE2-CB 3.97Å; Y413-Q419 HydrophobicContact CE2-CG 3.6Å; Y413-Q419 HydrophobicContact CG-CB 3.67Å; Y413-Q419 HydrophobicContact CG-CG 4.22Å; Y413-H422 HydrophobicContact CE1-CB 3.78Å; Y413-H422 AromaticContact CE1-ND1 3.66Å; Y413-H422 AromaticContact CZ-ND1 3.69Å; Y413-H422 PolarHBondContact OH-ND1 3.34Å; Y413-H426 WeakPolarHBondContact OH-CB 3.39Å
414C88.6Confident86.9Confident34 Ų3470.6 Ų70.623%0.2334%0.337CS..SBendtrans-69.7-34.5171.162.90000111.6C394 E400C394-C414 HydrophobicContact CB-CB 4.01Å; C394-C414 PolarHBondContact SG-N 3.29Å; E400-C414 VanDerWaalsContact O-CB 3.27Å; E400-C414 WeakPolarHBondContact O-CB 3.28Å
415C86.4Confident87Confident38 Ų3874.8 Ų74.826%0.25736%0.357SS..SBendtrans-151.9165.5-179.568.20000112.2Y413 E417 C418 Q419Y413-C415 VanDerWaalsContact C-N 3.33Å; C415-E417 PolarHBondContact O-N 2.75Å; C415-C418 PolarHBondContact O-N 3.35Å; C415-Q419 PolarHBondContact O-N 3.01Å
416R88.9Confident87Confident145 Ų14575 Ų7555%0.54736%0.358SS..Hα-helixtrans-62-33178.518060.2178.3171.13.1112.2Q419 V420R416-Q419 WeakPolarHBondContact O-CB 3.4Å; R416-Q419 PolarHBondContact O-N 3.01Å; R416-V420 HydrophobicContact CG-CG2 4.42Å; R416-V420 WeakPolarHBondContact O-CG2 3.35Å; R416-V420 PolarHBondContact O-N 2.89Å
417E91Very high87.2Confident138 Ų13871.3 Ų71.365%0.64534%0.337SS*.Hα-helixtrans-62.6-45179.2-62.3176.8-175.100111.9C415 Q419 V420 K421C415-E417 PolarHBondContact O-N 2.75Å; E417-Q419 VanDerWaalsContact C-N 3.29Å; E417-Q419 PolarHBondContact O-N 3.46Å; E417-V420 PolarHBondContact O-N 3.11Å; E417-K421 WeakPolarHBondContact O-CG 3.41Å; E417-K421 PolarHBondContact O-N 2.87Å
418C90.3Very high87.5Confident11 Ų1174.4 Ų74.47%0.07435%0.354CS..Hα-helixtrans-61.9-38.2174.9-75.60000111.9C394 Y396 Y413 C415 K421 H422C394-C418 WeakPolarHBondContact SG-CB 3.04Å; Y396-C418 HydrophobicContact CD1-CB 4.33Å; Y396-C418 HydrophobicContact CG-CB 4.38Å; Y413-C418 HydrophobicContact CD1-CB 4.19Å; C415-C418 PolarHBondContact O-N 3.35Å; C418-K421 PolarHBondContact O-N 2.88Å; C418-H422 WeakPolarHBondContact O-CB 3.27Å; C418-H422 PolarHBondContact O-N 2.98Å
419Q91.3Very high87.5Confident14 Ų1479 Ų797%0.06538%0.382CS..Hα-helixtrans-62.7-43.6174.8-174.9-178.819.100112.3C405 Y413 C415 R416 E417 H422 W423C405-Q419 PolarHBondContact SG-NE2 2.94Å; C405-Q419 VanDerWaalsContact SG-NE2 3.36Å; Y413-Q419 VanDerWaalsContact CD1-CA 3.49Å; Y413-Q419 HydrophobicContact CD1-CB 3.9Å; Y413-Q419 HydrophobicContact CD2-CB 3.72Å; Y413-Q419 HydrophobicContact CD2-CG 3.74Å; Y413-Q419 HydrophobicContact CE1-CB 4.13Å; Y413-Q419 HydrophobicContact CE1-CG 4.43Å; Y413-Q419 HydrophobicContact CE2-CB 3.97Å; Y413-Q419 HydrophobicContact CE2-CG 3.6Å; Y413-Q419 HydrophobicContact CG-CB 3.67Å; Y413-Q419 HydrophobicContact CG-CG 4.22Å; C415-Q419 PolarHBondContact O-N 3.01Å; R416-Q419 WeakPolarHBondContact O-CB 3.4Å; R416-Q419 PolarHBondContact O-N 3.01Å; E417-Q419 VanDerWaalsContact C-N 3.29Å; E417-Q419 PolarHBondContact O-N 3.46Å; Q419-H422 PolarHBondContact O-N 3.28Å; Q419-W423 HydrophobicContact CG-CE3 4.26Å; Q419-W423 WeakPolarHBondContact O-CB 3.31Å; Q419-W423 PolarHBondContact O-N 2.94Å
420V91.9Very high87.7Confident83 Ų8375.8 Ų75.850%0.50337%0.368SS..Hα-helixtrans-65.9-43.8178.6174.90000110.5R416 E417 H422 W423R416-V420 HydrophobicContact CG-CG2 4.42Å; R416-V420 WeakPolarHBondContact O-CG2 3.35Å; R416-V420 PolarHBondContact O-N 2.89Å; E417-V420 PolarHBondContact O-N 3.11Å; V420-H422 VanDerWaalsContact C-N 3.31Å; V420-H422 PolarHBondContact O-N 3.32Å; V420-W423 VanDerWaalsContact O-CB 3.23Å; V420-W423 WeakPolarHBondContact O-CB 3.45Å; V420-W423 PolarHBondContact O-N 3.39Å; V420-W423 VanDerWaalsContact O-N 3.13Å
421K90.5Very high88Confident123 Ų12375.4 Ų75.454%0.53537%0.369SS..Hα-helixtrans-63.4-35.1177.3-69.4177-176.4176.80112.9Y396 E417 C418Y396-K421 HydrophobicContact CD1-CB 4.41Å; Y396-K421 HydrophobicContact CD1-CD 4.34Å; Y396-K421 HydrophobicContact CD2-CB 3.89Å; Y396-K421 HydrophobicContact CE1-CB 4.12Å; Y396-K421 HydrophobicContact CE1-CD 3.64Å; Y396-K421 HydrophobicContact CE2-CB 3.55Å; Y396-K421 HydrophobicContact CE2-CD 4.47Å; Y396-K421 HydrophobicContact CG-CB 4.31Å; E417-K421 WeakPolarHBondContact O-CG 3.41Å; E417-K421 PolarHBondContact O-N 2.87Å; C418-K421 PolarHBondContact O-N 2.88Å
422H91.2Very high87.7Confident27 Ų2778.5 Ų78.513%0.12539%0.387CS..Hα-helixtrans-85.2-6.7176.4-169-135.3000113.6Y396 Y413 C418 Q419 V420 E424 K425 H426Y396-H422 HydrophobicContact CD2-CB 4.01Å; Y413-H422 HydrophobicContact CE1-CB 3.78Å; Y413-H422 AromaticContact CE1-ND1 3.66Å; Y413-H422 AromaticContact CZ-ND1 3.69Å; Y413-H422 PolarHBondContact OH-ND1 3.34Å; C418-H422 WeakPolarHBondContact O-CB 3.27Å; C418-H422 PolarHBondContact O-N 2.98Å; Q419-H422 PolarHBondContact O-N 3.28Å; V420-H422 VanDerWaalsContact C-N 3.31Å; V420-H422 PolarHBondContact O-N 3.32Å; H422-E424 VanDerWaalsContact C-N 3.3Å; H422-E424 PolarHBondContact O-N 3.48Å; H422-K425 PolarHBondContact O-N 2.98Å; H422-H426 PolarHBondContact O-N 3.04Å
423W90Very high86.5Confident93 Ų9377.6 Ų77.635%0.35239%0.391SS..Hα-helixtrans-63.3-32.4-169.1-169.2-101.8000113.6Q419 V420 K425 H426 G427Q419-W423 HydrophobicContact CG-CE3 4.26Å; Q419-W423 WeakPolarHBondContact O-CB 3.31Å; Q419-W423 PolarHBondContact O-N 2.94Å; V420-W423 VanDerWaalsContact O-CB 3.23Å; V420-W423 WeakPolarHBondContact O-CB 3.45Å; V420-W423 PolarHBondContact O-N 3.39Å; V420-W423 VanDerWaalsContact O-N 3.13Å; W423-K425 PolarHBondContact O-N 3.42Å; W423-H426 AromaticContact CE3-CD2 3.97Å; W423-H426 AromaticContact CZ3-CD2 3.78Å; W423-G427 VanDerWaalsContact O-CA 3.31Å; W423-G427 WeakPolarHBondContact O-CA 3.4Å; W423-G427 PolarHBondContact O-N 3.24Å
424E87.9Confident84.9Confident169 Ų16982 Ų8279%0.7943%0.428SS*.Hα-helixtrans-60.4-29.9176.8-67.6-175.8173.700112.8H422 K428H422-E424 VanDerWaalsContact C-N 3.3Å; H422-E424 PolarHBondContact O-N 3.48Å; E424-K428 WeakPolarHBondContact O-CE 3.39Å
425K87.1Confident82.8Confident155 Ų15589.8 Ų89.867%0.67446%0.461SS*.Hα-helixtrans-90.9-54.4176.4-169.3176.4177.8-171.40111H422 W423 G427 K428H422-K425 PolarHBondContact O-N 2.98Å; W423-K425 PolarHBondContact O-N 3.42Å; K425-G427 VanDerWaalsContact C-N 3.34Å; K425-G427 PolarHBondContact O-N 2.98Å; K425-K428 PolarHBondContact O-N 2.89Å
426H88.3Confident80.7Confident4 Ų491 Ų912%0.01948%0.48CS..Hα-helixtrans-64.4-34.7-177.8175.467.1000113.2C405 C408 E411 Y413 H422 W423 K428 T429 C430C405-H426 PolarHBondContact SG-NE2 3.04Å; C405-H426 VanDerWaalsContact SG-NE2 3.42Å; C408-H426 PolarHBondContact SG-CE1 2.75Å; E411-H426 WeakPolarHBondContact CB-CE1 3.36Å; E411-H426 IonicContact OE2-CE1 3.65Å; E411-H426 IonicContact OE2-ND1 2.74Å; E411-H426 PolarHBondContact OE2-ND1 3.22Å; E411-H426 VanDerWaalsContact OE2-ND1 3.13Å; Y413-H426 WeakPolarHBondContact OH-CB 3.39Å; H422-H426 PolarHBondContact O-N 3.04Å; W423-H426 AromaticContact CE3-CD2 3.97Å; W423-H426 AromaticContact CZ3-CD2 3.78Å; H426-K428 PolarHBondContact O-N 3.32Å; H426-T429 CarbonylContact O-C 3.58Å; H426-T429 PolarHBondContact O-N 3.34Å; H426-T429 PolarHBondContact O-OG1 3.34Å; H426-T429 VanDerWaalsContact O-OG1 3.14Å; H426-C430 WeakPolarHBondContact NE2-CB 3.23Å; H426-C430 PolarHBondContact NE2-SG 3.21Å; H426-C430 VanDerWaalsContact O-CB 3.31Å; H426-C430 WeakPolarHBondContact O-CB 3.37Å; H426-C430 PolarHBondContact O-N 2.96Å
427G87.1Confident78.3Confident29 Ų2992 Ų9230%0.29950%0.496SS..THydrogen-bonded Turntrans-58.2-23.4-179.700000113.7W423 K425W423-G427 VanDerWaalsContact O-CA 3.31Å; W423-G427 WeakPolarHBondContact O-CA 3.4Å; W423-G427 PolarHBondContact O-N 3.24Å; K425-G427 VanDerWaalsContact C-N 3.34Å; K425-G427 PolarHBondContact O-N 2.98Å
428K87.4Confident75.5Confident186 Ų18696.2 Ų96.281%0.80951%0.506SS*.THydrogen-bonded Turntrans-75.3-27.6176-60.3179.8-178.3178.60113.1E424 K425 H426E424-K428 WeakPolarHBondContact O-CE 3.39Å; K425-K428 PolarHBondContact O-N 2.89Å; H426-K428 PolarHBondContact O-N 3.32Å
429T83.3Confident72.7Confident100 Ų100100.5 Ų100.561%0.61354%0.542SS*.THydrogen-bonded Turntrans-108.7-4.6-178.755.70000112.7H426 V431H426-T429 CarbonylContact O-C 3.58Å; H426-T429 PolarHBondContact O-N 3.34Å; H426-T429 PolarHBondContact O-OG1 3.34Å; H426-T429 VanDerWaalsContact O-OG1 3.14Å; T429-V431 PolarHBondContact O-N 3.32Å; T429-V431 VanDerWaalsContact O-N 3.12Å
430C85.1Confident69.8Low10 Ų10113 Ų1137%0.06860%0.596CS.*  trans-76.994.9-177.3-168.80000112.1C405 H426C405-C430 VanDerWaalsContact SG-SG 3.65Å; H426-C430 WeakPolarHBondContact NE2-CB 3.23Å; H426-C430 PolarHBondContact NE2-SG 3.21Å; H426-C430 VanDerWaalsContact O-CB 3.31Å; H426-C430 WeakPolarHBondContact O-CB 3.37Å; H426-C430 PolarHBondContact O-N 2.96Å
431V84.3Confident68.7Low110 Ų110114.5 Ų114.567%0.66760%0.601SS**PPolyproline II helixtrans-96.2143.4175-1750000110.1C408 T429 A433C408-V431 WeakPolarHBondContact CA-O 3.47Å; C408-V431 WeakPolarHBondContact CB-O 3.35Å; T429-V431 PolarHBondContact O-N 3.32Å; T429-V431 VanDerWaalsContact O-N 3.12Å; V431-A433 PolarHBondContact O-N 3.45Å
432L77.6Confident67.6Low125 Ų125114.1 Ų114.165%0.65460%0.604SS**PPolyproline II helixtrans-59.8127.9176.7-103.1121.5000110.6R407 A434R407-L432 HydrophobicContact CG-CG 4.15Å; R407-L432 WeakPolarHBondContact O-CA 3.41Å; L432-A434 PolarHBondContact O-N 2.96Å
433A61.7Low66.3Low33 Ų33118.9 Ų118.927%0.27363%0.631SS.*PPolyproline II helixtrans-65.5131.3171.200000109.5R407 Q409 V431 Q435R407-A433 PolarHBondContact O-N 3.07Å; R407-A433 VanDerWaalsContact O-N 3.09Å; Q409-A433 HydrophobicContact CB-CB 4.46Å; Q409-A433 HydrophobicContact CG-CB 4.27Å; V431-A433 PolarHBondContact O-N 3.45Å; A433-Q435 PolarHBondContact O-N 3.4Å
434A53.3Low64.9Low96 Ų96120.4 Ų120.479%0.79365%0.647SS**PPolyproline II helixtrans-59134.7164.200000107.8L432 G436L432-A434 PolarHBondContact O-N 2.96Å; A434-G436 VanDerWaalsContact C-N 3.28Å; A434-G436 PolarHBondContact O-N 3.13Å
435Q43.4Very low63.4Low197 Ų197117.4 Ų117.492%0.92164%0.639SS**  trans-68.888.2178.4-65.8-170.611.300109A433A433-Q435 PolarHBondContact O-N 3.4Å
436G43Very low61.8Low64 Ų64114.9 Ų114.966%0.6664%0.636SS**  trans-78.9138.3161.100000109.3A434 R438A434-G436 VanDerWaalsContact C-N 3.28Å; A434-G436 PolarHBondContact O-N 3.13Å; G436-R438 PolarHBondContact O-N 3.24Å
437D38.3Very low59.9Low164 Ų164122.8 Ų122.888%0.87768%0.68SS**  trans-38.9112.5-161.9-67.6-49.4000116A439D437-A439 PolarHBondContact O-N 3.42Å; D437-A439 VanDerWaalsContact O-N 3.08Å
438R31.8Very low57.9Low228 Ų228130 Ų13086%0.8671%0.71SS**  trans-7294.7158.7-75.6-178.1175.9-179.3-0.8107.9G436 K440G436-R438 PolarHBondContact O-N 3.24Å; R438-K440 PolarHBondContact O-N 2.96Å
439A33Very low55.4Low100 Ų100125.3 Ų125.383%0.82670%0.701SS**  trans-57.8123.915900000108.5D437D437-A439 PolarHBondContact O-N 3.42Å; D437-A439 VanDerWaalsContact O-N 3.08Å
440K30.1Very low52.9Low277 Ų277127.6 Ų127.6100%1.20471%0.709SS**  trans-860162.6-96.6-173.6176.1-1790109.1R438R438-K440 PolarHBondContact O-N 2.96Å

Retrieved 440 of 440 residues in 140.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).