A0A077ZA39_TRITR Loading...

Mediator of RNA polymerase II transcription subunit 23

AlphaFold DB , UniProt , Accession A0A077ZA39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,149 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
1M53.1Low78.4Confident239 Ų23994 Ų94100%1.17748%0.477SS*.  0109.90-70.5178.7169.300106.8T3M1-T3 PolarHBondContact O-N 3.38Å
2T62.3Low79Confident78 Ų7886.3 Ų86.348%0.47944%0.438SS..  trans-65.2131.2171.535.70000108.5
3T77.5Confident79.4Confident75 Ų7585.7 Ų85.746%0.4644%0.442SS..  trans-66.3153.7175.461.10000109.7M1 Q5 E6 A7M1-T3 PolarHBondContact O-N 3.38Å; T3-Q5 PolarHBondContact O-N 3.03Å; T3-Q5 VanDerWaalsContact O-N 3.17Å; T3-E6 PolarHBondContact O-N 3.17Å; T3-E6 VanDerWaalsContact O-N 3.07Å; T3-E6 WeakPolarHBondContact OG1-CG 3.5Å; T3-E6 PolarHBondContact OG1-N 3.35Å; T3-A7 PolarHBondContact O-N 3.17Å
4A78.9Confident79.7Confident49 Ų4988.6 Ų88.641%0.40545%0.45SS..Hα-helixtrans-54.5-35176.200000111.8A7 F8 L58A4-A7 PolarHBondContact O-N 2.91Å; A4-F8 WeakPolarHBondContact O-CB 3.41Å; A4-F8 PolarHBondContact O-N 2.95Å; A4-L58 HydrophobicContact CB-CD2 4.14Å
5Q80.2Confident80Confident98 Ų9883.2 Ų83.246%0.45842%0.423SS..Hα-helixtrans-65-42.7175.7-69.2178.4-13.200113.4T3 F8 K9 L58 S62T3-Q5 PolarHBondContact O-N 3.03Å; T3-Q5 VanDerWaalsContact O-N 3.17Å; Q5-F8 PolarHBondContact O-N 2.65Å; Q5-K9 WeakPolarHBondContact O-CG 3.32Å; Q5-K9 PolarHBondContact O-N 2.85Å; Q5-L58 HydrophobicContact CG-CD2 4.22Å; Q5-S62 PolarHBondContact NE2-OG 2.97Å
6E81.3Confident80.1Confident94 Ų9479.1 Ų79.144%0.43940%0.401SS..Hα-helixtrans-67.6-40.4175.7-77.1179.7165.700111.8T3 F8 K9 R10T3-E6 PolarHBondContact O-N 3.17Å; T3-E6 VanDerWaalsContact O-N 3.07Å; T3-E6 WeakPolarHBondContact OG1-CG 3.5Å; T3-E6 PolarHBondContact OG1-N 3.35Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-K9 PolarHBondContact O-N 3.5Å; E6-R10 WeakPolarHBondContact O-CG 3.48Å; E6-R10 PolarHBondContact O-N 3.1Å
7A83.5Confident79.9Confident47 Ų4778.4 Ų78.439%0.38841%0.406SS..Hα-helixtrans-60.8-44.4175.100000110.9T3 A4 R10 K11T3-A7 PolarHBondContact O-N 3.17Å; A4-A7 PolarHBondContact O-N 2.91Å; A7-R10 PolarHBondContact O-N 3.29Å; A7-K11 WeakPolarHBondContact O-CB 3.3Å; A7-K11 PolarHBondContact O-N 3.33Å
8F88.3Confident79.4Confident7 Ų778.9 Ų78.93%0.03141%0.409CS..Hα-helixtrans-60.3-52.6173.8-177.7-104.7000111.6A4 Q5 E6 R10 K11 V12 L51 A54 F55 L58 A66 V70A4-F8 WeakPolarHBondContact O-CB 3.41Å; A4-F8 PolarHBondContact O-N 2.95Å; Q5-F8 PolarHBondContact O-N 2.65Å; E6-F8 VanDerWaalsContact C-N 3.33Å; F8-R10 VanDerWaalsContact C-N 3.29Å; F8-R10 PolarHBondContact O-N 2.91Å; F8-K11 CarbonylContact O-C 3.15Å; F8-K11 WeakPolarHBondContact O-CA 3.09Å; F8-K11 WeakPolarHBondContact O-CB 3.32Å; F8-K11 PolarHBondContact O-N 3.03Å; F8-V12 HydrophobicContact CD1-CG2 3.8Å; F8-V12 HydrophobicContact CD2-CG2 4.34Å; F8-V12 HydrophobicContact CE1-CG2 3.45Å; F8-V12 VanDerWaalsContact CE1-CG2 3.45Å; F8-V12 HydrophobicContact CE2-CG2 4.02Å; F8-V12 HydrophobicContact CG-CG2 4.24Å; F8-V12 HydrophobicContact CZ-CG2 3.58Å; F8-V12 VanDerWaalsContact O-CG2 3.3Å; F8-V12 WeakPolarHBondContact O-CG2 3.29Å; F8-V12 PolarHBondContact O-N 3.44Å; F8-L51 HydrophobicContact CE2-CD1 4.14Å; F8-L51 HydrophobicContact CZ-CD1 4.5Å; F8-A54 HydrophobicContact CD2-CB 4.04Å; F8-F55 HydrophobicContact CE2-CB 3.76Å; F8-F55 HydrophobicContact CE2-CD2 4.04Å; F8-F55 HydrophobicContact CE2-CG 4.42Å; F8-F55 HydrophobicContact CZ-CB 4.38Å; F8-F55 AromaticContact CZ-CD2 3.87Å; F8-F55 HydrophobicContact CZ-CD2 3.87Å; F8-L58 HydrophobicContact CB-CD1 4.18Å; F8-L58 HydrophobicContact CB-CD2 3.91Å; F8-L58 HydrophobicContact CB-CG 4.33Å; F8-L58 HydrophobicContact CD1-CD1 3.88Å; F8-L58 HydrophobicContact CD2-CD1 3.98Å; F8-L58 HydrophobicContact CE1-CD1 4.23Å; F8-L58 HydrophobicContact CE2-CD1 4.33Å; F8-L58 HydrophobicContact CG-CD1 3.74Å; F8-L58 HydrophobicContact CG-CD2 4.38Å; F8-L58 HydrophobicContact CG-CG 4.34Å; F8-L58 HydrophobicContact CZ-CD1 4.43Å; F8-A66 HydrophobicContact CD1-CB 4.03Å; F8-A66 HydrophobicContact CE1-CB 3.54Å; F8-A66 HydrophobicContact CZ-CB 4.11Å; F8-V70 HydrophobicContact CE1-CG2 4.24Å; F8-V70 HydrophobicContact CZ-CG2 3.66Å
9K85.7Confident78.7Confident119 Ų11975.3 Ų75.352%0.51739%0.391SS..Hα-helixtrans-55.1-42.4178.3-78.1-178.7178.4179.70112.8Q5 E6 V12 T13Q5-K9 WeakPolarHBondContact O-CG 3.32Å; Q5-K9 PolarHBondContact O-N 2.85Å; E6-K9 PolarHBondContact O-N 3.5Å; K9-V12 PolarHBondContact O-N 3.26Å; K9-T13 PolarHBondContact O-N 2.98Å; K9-T13 PolarHBondContact O-OG1 2.79Å; K9-T13 VanDerWaalsContact O-OG1 3.12Å
10R85.1Confident77.6Confident164 Ų16473.2 Ų73.262%0.61939%0.388SS*.Hα-helixtrans-63.2-42.9174.4-73.4-179.4-171.21725.5111.6E6 A7 F8 T13 F14E6-R10 WeakPolarHBondContact O-CG 3.48Å; E6-R10 PolarHBondContact O-N 3.1Å; A7-R10 PolarHBondContact O-N 3.29Å; F8-R10 VanDerWaalsContact C-N 3.29Å; F8-R10 PolarHBondContact O-N 2.91Å; R10-T13 PolarHBondContact O-N 2.97Å; R10-F14 WeakPolarHBondContact O-CB 3.5Å; R10-F14 PolarHBondContact O-N 2.76Å
11K86.5Confident76.5Confident64 Ų6472.4 Ų72.428%0.27839%0.388SS..Hα-helixtrans-62.1-46.1176.8-171.569.2174.8-174.20111.7A7 F8 T13 F14 V15 S50 A54A7-K11 WeakPolarHBondContact O-CB 3.3Å; A7-K11 PolarHBondContact O-N 3.33Å; F8-K11 CarbonylContact O-C 3.15Å; F8-K11 WeakPolarHBondContact O-CA 3.09Å; F8-K11 WeakPolarHBondContact O-CB 3.32Å; F8-K11 PolarHBondContact O-N 3.03Å; K11-T13 VanDerWaalsContact C-N 3.33Å; K11-T13 PolarHBondContact O-N 3.36Å; K11-F14 PolarHBondContact O-N 3.04Å; K11-V15 HydrophobicContact CD-CG2 4.26Å; K11-V15 HydrophobicContact CG-CG2 4.29Å; K11-V15 WeakPolarHBondContact O-CB 3.37Å; K11-V15 VanDerWaalsContact O-CG2 3.28Å; K11-V15 WeakPolarHBondContact O-CG2 3.5Å; K11-V15 PolarHBondContact O-N 3.18Å; K11-S50 WeakPolarHBondContact CE-OG 3.39Å; K11-S50 PolarHBondContact NZ-OG 3.44Å; K11-A54 HydrophobicContact CB-CB 4.43Å; K11-A54 HydrophobicContact CG-CB 3.98Å
12V85.8Confident76.3Confident1 Ų162.9 Ų62.91%0.00635%0.345CS..Hα-helixtrans-58.8-46.8175.6-169.20000109.5F8 K9 F14 V15 F16 L51 V70 R73F8-V12 HydrophobicContact CD1-CG2 3.8Å; F8-V12 HydrophobicContact CD2-CG2 4.34Å; F8-V12 HydrophobicContact CE1-CG2 3.45Å; F8-V12 VanDerWaalsContact CE1-CG2 3.45Å; F8-V12 HydrophobicContact CE2-CG2 4.02Å; F8-V12 HydrophobicContact CG-CG2 4.24Å; F8-V12 HydrophobicContact CZ-CG2 3.58Å; F8-V12 VanDerWaalsContact O-CG2 3.3Å; F8-V12 WeakPolarHBondContact O-CG2 3.29Å; F8-V12 PolarHBondContact O-N 3.44Å; K9-V12 PolarHBondContact O-N 3.26Å; V12-F14 PolarHBondContact O-N 3.49Å; V12-V15 PolarHBondContact O-N 3.43Å; V12-F16 HydrophobicContact CG1-CD2 3.64Å; V12-F16 HydrophobicContact CG1-CE2 3.64Å; V12-F16 WeakPolarHBondContact O-CD2 3.27Å; V12-F16 PolarHBondContact O-N 3.01Å; V12-F16 VanDerWaalsContact O-N 3.09Å; V12-L51 HydrophobicContact CB-CD1 4.45Å; V12-L51 HydrophobicContact CG2-CD1 3.93Å; V12-V70 HydrophobicContact CG1-CG2 4.25Å; V12-V70 HydrophobicContact CG2-CG2 4.14Å; V12-R73 PolarHBondContact O-NH1 2.86Å
13T84.2Confident75.5Confident79 Ų7962 Ų6249%0.48534%0.337SS..Hα-helixtrans-63.3-41.8178.9-590000112.5K9 R10 K11 S17 R73K9-T13 PolarHBondContact O-N 2.98Å; K9-T13 PolarHBondContact O-OG1 2.79Å; K9-T13 VanDerWaalsContact O-OG1 3.12Å; R10-T13 PolarHBondContact O-N 2.97Å; K11-T13 VanDerWaalsContact C-N 3.33Å; K11-T13 PolarHBondContact O-N 3.36Å; T13-S17 VanDerWaalsContact O-CB 3.26Å; T13-S17 WeakPolarHBondContact O-CB 3.34Å; T13-S17 PolarHBondContact O-N 3.35Å; T13-S17 PolarHBondContact O-OG 3.46Å; T13-R73 VanDerWaalsContact CA-NH1 3.31Å; T13-R73 VanDerWaalsContact N-NH1 3.18Å; T13-R73 PolarHBondContact OG1-NH1 3.12Å
14F84.2Confident74Confident126 Ų12661.2 Ų61.255%0.55334%0.338SS*.Hα-helixtrans-61.4-52.3176.3179-98.7000112R10 K11 V12 F16 S17 D18R10-F14 WeakPolarHBondContact O-CB 3.5Å; R10-F14 PolarHBondContact O-N 2.76Å; K11-F14 PolarHBondContact O-N 3.04Å; V12-F14 PolarHBondContact O-N 3.49Å; F14-F16 PolarHBondContact O-N 3.42Å; F14-S17 WeakPolarHBondContact CA-OG 3.42Å; F14-S17 PolarHBondContact O-N 2.94Å; F14-S17 PolarHBondContact O-OG 2.93Å; F14-D18 WeakPolarHBondContact O-CB 3.47Å; F14-D18 PolarHBondContact O-N 2.89Å
15V83.7Confident72.3Confident8 Ų868.6 Ų68.65%0.04836%0.356CS..Hα-helixtrans-61.7-43-176.8171.20000111.8K11 V12 D18 V19 A47 M83K11-V15 HydrophobicContact CD-CG2 4.26Å; K11-V15 HydrophobicContact CG-CG2 4.29Å; K11-V15 WeakPolarHBondContact O-CB 3.37Å; K11-V15 VanDerWaalsContact O-CG2 3.28Å; K11-V15 WeakPolarHBondContact O-CG2 3.5Å; K11-V15 PolarHBondContact O-N 3.18Å; V12-V15 PolarHBondContact O-N 3.43Å; V15-D18 PolarHBondContact O-N 3.24Å; V15-V19 PolarHBondContact O-N 3.47Å; V15-V19 VanDerWaalsContact O-N 3.1Å; V15-A47 HydrophobicContact CG1-CB 4.02Å; V15-M83 HydrophobicContact CG1-CE 3.55Å; V15-M83 HydrophobicContact CG1-SD 3.46Å; V15-M83 WeakPolarHBondContact CG1-SD 3.17Å
16F81.8Confident70.4Confident17 Ų1766.6 Ų66.68%0.07535%0.352CS..Hα-helixtrans-73.5-30.2177.6-79.3-94.2000112.7V12 F14 G20 L51 V70 R73 A80 V84V12-F16 HydrophobicContact CG1-CD2 3.64Å; V12-F16 HydrophobicContact CG1-CE2 3.64Å; V12-F16 WeakPolarHBondContact O-CD2 3.27Å; V12-F16 PolarHBondContact O-N 3.01Å; V12-F16 VanDerWaalsContact O-N 3.09Å; F14-F16 PolarHBondContact O-N 3.42Å; F16-G20 PolarHBondContact O-N 2.83Å; F16-L51 HydrophobicContact CE2-CD2 4.32Å; F16-V70 HydrophobicContact CE2-CG1 4.43Å; F16-V70 HydrophobicContact CZ-CG1 4.33Å; F16-R73 HydrophobicContact CD1-CB 3.65Å; F16-R73 HydrophobicContact CD2-CB 4.41Å; F16-R73 HydrophobicContact CE1-CB 3.26Å; F16-R73 HydrophobicContact CE1-CG 4.45Å; F16-R73 WeakPolarHBondContact CE1-O 3.5Å; F16-R73 HydrophobicContact CE2-CB 4.08Å; F16-R73 HydrophobicContact CG-CB 4.2Å; F16-R73 HydrophobicContact CZ-CB 3.49Å; F16-R73 VanDerWaalsContact CZ-CB 3.49Å; F16-R73 HydrophobicContact CZ-CG 4.46Å; F16-A80 HydrophobicContact CD1-CB 4.07Å; F16-A80 HydrophobicContact CE1-CB 3.94Å; F16-V84 HydrophobicContact CE1-CG2 4.05Å; F16-V84 HydrophobicContact CZ-CG2 3.63Å
17S76.3Confident68.5Low68 Ų6869.2 Ų69.248%0.47636%0.364SS..Hα-helixtrans-68.2-3817270.20000112.2T13 F14 G20 S21T13-S17 VanDerWaalsContact O-CB 3.26Å; T13-S17 WeakPolarHBondContact O-CB 3.34Å; T13-S17 PolarHBondContact O-N 3.35Å; T13-S17 PolarHBondContact O-OG 3.46Å; F14-S17 WeakPolarHBondContact CA-OG 3.42Å; F14-S17 PolarHBondContact O-N 2.94Å; F14-S17 PolarHBondContact O-OG 2.93Å; S17-G20 PolarHBondContact O-N 2.87Å; S17-S21 VanDerWaalsContact O-CB 3.3Å; S17-S21 WeakPolarHBondContact O-CB 3.28Å; S17-S21 PolarHBondContact O-N 2.98Å; S17-S21 PolarHBondContact O-OG 3.37Å
18D70.6Confident66.5Low87 Ų8774.4 Ų74.447%0.46538%0.378SS..Hα-helixtrans-66.3-46.6178.2-170.740.9000110.8F14 V15 G20 S21 S22F14-D18 WeakPolarHBondContact O-CB 3.47Å; F14-D18 PolarHBondContact O-N 2.89Å; V15-D18 PolarHBondContact O-N 3.24Å; D18-G20 VanDerWaalsContact C-N 3.35Å; D18-G20 PolarHBondContact O-N 2.99Å; D18-S21 PolarHBondContact O-N 3.43Å; D18-S21 PolarHBondContact O-OG 3.16Å; D18-S22 WeakPolarHBondContact O-CB 3.12Å; D18-S22 PolarHBondContact O-N 2.71Å
19V65.9Low64.4Low11 Ų1176.2 Ų76.27%0.06739%0.394CS..Hα-helixtrans-69.6-29.9175.9173.20000113.3V15 A79 M83V15-V19 PolarHBondContact O-N 3.47Å; V15-V19 VanDerWaalsContact O-N 3.1Å; V19-A79 HydrophobicContact CG1-CB 3.7Å; V19-M83 HydrophobicContact CB-CE 3.6Å; V19-M83 HydrophobicContact CG1-CE 3.96Å; V19-M83 HydrophobicContact CG2-CE 3.05Å
20G58Low62.4Low32 Ų3275.4 Ų75.433%0.3340%0.403SS..Hα-helixtrans-66.2-44.3168.100000112.5F16 S17 D18 L23 A24F16-G20 PolarHBondContact O-N 2.83Å; S17-G20 PolarHBondContact O-N 2.87Å; D18-G20 VanDerWaalsContact C-N 3.35Å; D18-G20 PolarHBondContact O-N 2.99Å; G20-L23 WeakPolarHBondContact O-CB 3.21Å; G20-L23 PolarHBondContact O-N 3.47Å; G20-A24 PolarHBondContact O-N 3.49Å
21S54Low60.5Low57 Ų5776.3 Ų76.340%0.39941%0.412SS..Hα-helixtrans-68.4-34.7-179.776.60000112.8S17 D18 L23 A24 W25S17-S21 VanDerWaalsContact O-CB 3.3Å; S17-S21 WeakPolarHBondContact O-CB 3.28Å; S17-S21 PolarHBondContact O-N 2.98Å; S17-S21 PolarHBondContact O-OG 3.37Å; D18-S21 PolarHBondContact O-N 3.43Å; D18-S21 PolarHBondContact O-OG 3.16Å; S21-L23 PolarHBondContact O-N 2.85Å; S21-L23 VanDerWaalsContact O-N 3.12Å; S21-A24 WeakPolarHBondContact O-CB 3.33Å; S21-A24 PolarHBondContact O-N 3.35Å; S21-W25 PolarHBondContact O-N 2.85Å
22S49.7Very low58.2Low39 Ų3978 Ų7827%0.27343%0.427SS..Hα-helixtrans-54.1-28.5168.6171.30000112.1D18 W25 C26D18-S22 WeakPolarHBondContact O-CB 3.12Å; D18-S22 PolarHBondContact O-N 2.71Å; S22-W25 WeakPolarHBondContact O-CB 3.43Å; S22-C26 PolarHBondContact O-N 2.99Å; S22-C26 PolarHBondContact O-SG 3.32Å
23L44.6Very low56Low60 Ų6086.9 Ų86.931%0.31447%0.466SS..Hα-helixtrans-85.2-29.6178-128.4110.7000113.4G20 S21 W25 C26 H27 A79G20-L23 WeakPolarHBondContact O-CB 3.21Å; G20-L23 PolarHBondContact O-N 3.47Å; S21-L23 PolarHBondContact O-N 2.85Å; S21-L23 VanDerWaalsContact O-N 3.12Å; L23-W25 PolarHBondContact O-N 2.87Å; L23-C26 HydrophobicContact CG-CB 4.39Å; L23-C26 CarbonylContact O-C 3.56Å; L23-C26 WeakPolarHBondContact O-CA 3.49Å; L23-C26 PolarHBondContact O-N 2.85Å; L23-H27 PolarHBondContact O-N 3.3Å; L23-A79 HydrophobicContact CD1-CB 4.2Å
24A45.7Very low54.1Low58 Ų5889.6 Ų89.648%0.47948%0.477SS..Hα-helixtrans-57.4-36.216700000109.7G20 S21 F28G20-A24 PolarHBondContact O-N 3.49Å; S21-A24 WeakPolarHBondContact O-CB 3.33Å; S21-A24 PolarHBondContact O-N 3.35Å; A24-F28 WeakPolarHBondContact O-CD2 3.23Å
25W42.5Very low52.4Low205 Ų20586.8 Ų86.878%0.77747%0.472SS*.Hα-helixtrans-67.7-36.2170.1-79.178.2000113.4S21 S22 L23 F28 A29S21-W25 PolarHBondContact O-N 2.85Å; S22-W25 WeakPolarHBondContact O-CB 3.43Å; L23-W25 PolarHBondContact O-N 2.87Å; W25-F28 PolarHBondContact O-N 3.22Å; W25-A29 PolarHBondContact O-N 3.17Å; W25-A29 VanDerWaalsContact O-N 3.15Å
26C40.9Very low51.2Low56 Ų5687.9 Ų87.938%0.37848%0.48SS..Hα-helixtrans-72.2-33.8177.5-66.70000114.6S22 L23 F28 A29S22-C26 PolarHBondContact O-N 2.99Å; S22-C26 PolarHBondContact O-SG 3.32Å; L23-C26 HydrophobicContact CG-CB 4.39Å; L23-C26 CarbonylContact O-C 3.56Å; L23-C26 WeakPolarHBondContact O-CA 3.49Å; L23-C26 PolarHBondContact O-N 2.85Å; C26-F28 PolarHBondContact O-N 3.02Å; C26-A29 VanDerWaalsContact O-CB 3.27Å; C26-A29 WeakPolarHBondContact O-CB 3.48Å; C26-A29 PolarHBondContact O-N 3.04Å
27H42.1Very low50.3Low149 Ų14992.5 Ų92.569%0.6951%0.512SS*.Hα-helixtrans-64.6-23.9174.6-89.7-70.1000112.5L23L23-H27 PolarHBondContact O-N 3.3Å
28F42.2Very low49.8Very low156 Ų15696.4 Ų96.468%0.68452%0.523SS*.THydrogen-bonded Turntrans-92.7-2.9169-71.4-75.4000113.7A24 W25 C26 S30 F31A24-F28 WeakPolarHBondContact O-CD2 3.23Å; W25-F28 PolarHBondContact O-N 3.22Å; C26-F28 PolarHBondContact O-N 3.02Å; F28-S30 VanDerWaalsContact C-N 3.28Å; F28-S30 PolarHBondContact O-N 3.21Å; F28-F31 PolarHBondContact O-N 2.67Å
29A43.3Very low49.7Very low44 Ų4496.8 Ų96.836%0.36452%0.522SS..THydrogen-bonded Turntrans-75.3-11.3-176.800000114.1W25 C26 F31 V32W25-A29 PolarHBondContact O-N 3.17Å; W25-A29 VanDerWaalsContact O-N 3.15Å; C26-A29 VanDerWaalsContact O-CB 3.27Å; C26-A29 WeakPolarHBondContact O-CB 3.48Å; C26-A29 PolarHBondContact O-N 3.04Å; A29-F31 PolarHBondContact O-N 3Å; A29-F31 VanDerWaalsContact O-N 3.12Å; A29-V32 PolarHBondContact O-N 3.29Å; A29-V32 VanDerWaalsContact O-O 3.08Å
30S44Very low49.8Very low102 Ų10298.4 Ų98.471%0.71353%0.532SS*.THydrogen-bonded Turntrans-61.3-13.6162.341.60000112.4F28F28-S30 VanDerWaalsContact C-N 3.28Å; F28-S30 PolarHBondContact O-N 3.21Å
31F44.5Very low50.4Low184 Ų184101.9 Ų101.981%0.80754%0.539SS*.SBendtrans-113.9-4.6174.7-73-84.7000115F28 A29F28-F31 PolarHBondContact O-N 2.67Å; A29-F31 PolarHBondContact O-N 3Å; A29-F31 VanDerWaalsContact O-N 3.12Å
32V39.1Very low51.5Low98 Ų98102.9 Ų102.959%0.59455%0.545SS*.SBendtrans-141.2127-179.4-175.10000111.8A29 L34A29-V32 PolarHBondContact O-N 3.29Å; A29-V32 VanDerWaalsContact O-O 3.08Å; V32-L34 PolarHBondContact O-N 3.49Å
33K39.3Very low52.9Low188 Ų188107.1 Ų107.182%0.81756%0.559SS**  trans-37125.1177.5-96.8-179.5167.8174.50114.7
34L43.7Very low54.6Low136 Ų136104.4 Ų104.471%0.71255%0.545SS*.  trans53.188.5136.4-68.4151.2000116.5V32V32-L34 PolarHBondContact O-N 3.49Å
35C48Very low56.4Low67 Ų67107.3 Ų107.345%0.45355%0.547SS..  -90.2117127.1-84.30000106E39 V40C35-E39 WeakPolarHBondContact CA-OE2 3.39Å; C35-V40 HydrophobicContact CB-CG2 4.06Å
36S59.2Low58.4Low32 Ų32101.8 Ų101.822%0.22454%0.535CS..  trans-63.1151.7172.2650000109.4Q38 E39 V40S36-Q38 PolarHBondContact O-N 2.86Å; S36-Q38 VanDerWaalsContact O-N 3.08Å; S36-E39 PolarHBondContact N-OE2 3.17Å; S36-E39 PolarHBondContact O-N 3.3Å; S36-E39 WeakPolarHBondContact OG-CG 3.45Å; S36-E39 PolarHBondContact OG-N 3.48Å; S36-E39 PolarHBondContact OG-OE2 3.46Å; S36-V40 PolarHBondContact O-N 2.87Å
37P61.9Low60.5Low114 Ų11499.9 Ų99.974%0.7452%0.524SS*.Hα-helixtrans-50.1-34.1171.9-27.534.5000112.6V40 E41P37-V40 PolarHBondContact O-N 3.45Å; P37-E41 VanDerWaalsContact O-CB 3.29Å; P37-E41 WeakPolarHBondContact O-CB 3.49Å; P37-E41 PolarHBondContact O-N 2.97Å
38Q66.6Low62.7Low150 Ų15092.8 Ų92.870%0.70149%0.491SS*.Hα-helixtrans-65.8-37.1176.2-67.9179.3-12.200113.5S36 E41 C42S36-Q38 PolarHBondContact O-N 2.86Å; S36-Q38 VanDerWaalsContact O-N 3.08Å; Q38-E41 PolarHBondContact O-N 2.97Å; Q38-C42 WeakPolarHBondContact O-CB 3.18Å; Q38-C42 PolarHBondContact O-N 2.66Å
39E69.3Low65Low94 Ų9487.1 Ų87.144%0.43947%0.468SS..Hα-helixtrans-71.4-40.2177.2-77.4168.7140.400112C35 S36 E41 C42 K43C35-E39 WeakPolarHBondContact CA-OE2 3.39Å; S36-E39 PolarHBondContact N-OE2 3.17Å; S36-E39 PolarHBondContact O-N 3.3Å; S36-E39 WeakPolarHBondContact OG-CG 3.45Å; S36-E39 PolarHBondContact OG-N 3.48Å; S36-E39 PolarHBondContact OG-OE2 3.46Å; E39-E41 PolarHBondContact O-N 3.4Å; E39-C42 PolarHBondContact O-N 3.27Å; E39-K43 WeakPolarHBondContact O-CB 3.49Å; E39-K43 WeakPolarHBondContact O-CG 3.38Å; E39-K43 PolarHBondContact O-N 2.94Å
40V67.3Low67.1Low46 Ų4686.5 Ų86.528%0.27946%0.461SS..Hα-helixtrans-61.4-41.1172.7179.70000109.6C35 S36 P37 K43 T44C35-V40 HydrophobicContact CB-CG2 4.06Å; S36-V40 PolarHBondContact O-N 2.87Å; P37-V40 PolarHBondContact O-N 3.45Å; V40-K43 PolarHBondContact O-N 3.28Å; V40-T44 HydrophobicContact CG1-CG2 4.43Å; V40-T44 WeakPolarHBondContact O-CB 3.35Å; V40-T44 VanDerWaalsContact O-CG2 3.3Å; V40-T44 WeakPolarHBondContact O-CG2 3.44Å; V40-T44 PolarHBondContact O-N 3.21Å; V40-T44 PolarHBondContact O-OG1 3.43Å
41E71.2Confident69.3Low104 Ų10481.7 Ų81.749%0.48643%0.427SS..Hα-helixtrans-64.6-41.5176.7-167.9173.8-173.200112.6P37 Q38 E39 T44 K45 K86P37-E41 VanDerWaalsContact O-CB 3.29Å; P37-E41 WeakPolarHBondContact O-CB 3.49Å; P37-E41 PolarHBondContact O-N 2.97Å; Q38-E41 PolarHBondContact O-N 2.97Å; E39-E41 PolarHBondContact O-N 3.4Å; E41-T44 WeakPolarHBondContact CA-OG1 3.43Å; E41-T44 PolarHBondContact O-OG1 2.91Å; E41-K45 WeakPolarHBondContact O-CB 3.3Å; E41-K45 PolarHBondContact O-N 2.79Å; E41-K86 PolarHBondContact O-NZ 2.86Å; E41-K86 IonicContact OE1-NZ 2.87Å
42C76.3Confident71.6Confident78 Ų7873.2 Ų73.253%0.52739%0.39SS..Hα-helixtrans-65.3-48.1175.2-171.70000111.3Q38 E39 T44 K45 T46Q38-C42 WeakPolarHBondContact O-CB 3.18Å; Q38-C42 PolarHBondContact O-N 2.66Å; E39-C42 PolarHBondContact O-N 3.27Å; C42-T44 PolarHBondContact O-N 3.02Å; C42-K45 WeakPolarHBondContact O-CB 3.11Å; C42-K45 PolarHBondContact O-N 3.11Å; C42-K45 VanDerWaalsContact O-N 3.12Å; C42-T46 PolarHBondContact O-N 2.78Å; C42-T46 PolarHBondContact O-OG1 3.29Å; C42-T46 VanDerWaalsContact O-OG1 3.08Å
43K78.3Confident74Confident128 Ų12874.9 Ų74.956%0.55739%0.391SS*.Hα-helixtrans-60.3-43.9177.5-75.5-177.2179.5179.90112.4E39 V40 K45 T46 A47E39-K43 WeakPolarHBondContact O-CB 3.49Å; E39-K43 WeakPolarHBondContact O-CG 3.38Å; E39-K43 PolarHBondContact O-N 2.94Å; V40-K43 PolarHBondContact O-N 3.28Å; K43-K45 VanDerWaalsContact C-N 3.3Å; K43-K45 PolarHBondContact O-N 3.45Å; K43-T46 PolarHBondContact O-N 2.81Å; K43-A47 VanDerWaalsContact O-CB 3.26Å; K43-A47 WeakPolarHBondContact O-CB 3.33Å; K43-A47 PolarHBondContact O-N 3.43Å
44T80.8Confident76.3Confident3 Ų367.2 Ų67.22%0.01836%0.363CS..Hα-helixtrans-65.2-34.2176.349.30000112.1V40 E41 C42 A48 L82 M83V40-T44 HydrophobicContact CG1-CG2 4.43Å; V40-T44 WeakPolarHBondContact O-CB 3.35Å; V40-T44 VanDerWaalsContact O-CG2 3.3Å; V40-T44 WeakPolarHBondContact O-CG2 3.44Å; V40-T44 PolarHBondContact O-N 3.21Å; V40-T44 PolarHBondContact O-OG1 3.43Å; E41-T44 WeakPolarHBondContact CA-OG1 3.43Å; E41-T44 PolarHBondContact O-OG1 2.91Å; C42-T44 PolarHBondContact O-N 3.02Å; T44-A48 VanDerWaalsContact O-CB 3.28Å; T44-A48 WeakPolarHBondContact O-CB 3.5Å; T44-A48 PolarHBondContact O-N 3.13Å; T44-L82 HydrophobicContact CG2-CD2 4.47Å; T44-M83 HydrophobicContact CG2-CB 4.45Å
45K83.5Confident78.7Confident120 Ų12060.7 Ų60.752%0.52233%0.329SS..Hα-helixtrans-65.4-52.3173.3-171177.9178.2177.80111.3E41 C42 K43 A47 A48 D49 K86E41-K45 WeakPolarHBondContact O-CB 3.3Å; E41-K45 PolarHBondContact O-N 2.79Å; C42-K45 WeakPolarHBondContact O-CB 3.11Å; C42-K45 PolarHBondContact O-N 3.11Å; C42-K45 VanDerWaalsContact O-N 3.12Å; K43-K45 VanDerWaalsContact C-N 3.3Å; K43-K45 PolarHBondContact O-N 3.45Å; K45-A47 VanDerWaalsContact C-N 3.27Å; K45-A47 PolarHBondContact O-N 3.05Å; K45-A48 WeakPolarHBondContact O-CB 3.41Å; K45-A48 PolarHBondContact O-N 2.97Å; K45-A48 VanDerWaalsContact O-N 3.07Å; K45-D49 PolarHBondContact O-N 3.21Å; K45-K86 HydrophobicContact CB-CD 3.98Å; K45-K86 HydrophobicContact CG-CD 4.43Å
46T84.4Confident80.7Confident88 Ų8862.7 Ų62.754%0.5433%0.332SS..Hα-helixtrans-59.8-38.9178.5-500000112C42 K43 S50C42-T46 PolarHBondContact O-N 2.78Å; C42-T46 PolarHBondContact O-OG1 3.29Å; C42-T46 VanDerWaalsContact O-OG1 3.08Å; K43-T46 PolarHBondContact O-N 2.81Å; T46-S50 WeakPolarHBondContact O-CB 3.44Å; T46-S50 PolarHBondContact O-N 3.08Å
47A85.5Confident82.1Confident16 Ų1664.8 Ų64.813%0.13235%0.351CS..Hα-helixtrans-64.7-42.3174.800000112.3V15 K43 K45 L51 M83V15-A47 HydrophobicContact CG1-CB 4.02Å; K43-A47 VanDerWaalsContact O-CB 3.26Å; K43-A47 WeakPolarHBondContact O-CB 3.33Å; K43-A47 PolarHBondContact O-N 3.43Å; K45-A47 VanDerWaalsContact C-N 3.27Å; K45-A47 PolarHBondContact O-N 3.05Å; A47-L51 WeakPolarHBondContact O-CB 3.49Å; A47-L51 PolarHBondContact O-N 3.24Å; A47-M83 HydrophobicContact CB-CE 3.93Å; A47-M83 HydrophobicContact CB-CG 4.2Å; A47-M83 HydrophobicContact CB-SD 4.27Å
48A88.8Confident83.4Confident0 Ų060 Ų600%032%0.319CS..Hα-helixtrans-65.7-43.617600000112.4T44 K45 L51 F52 M83 K86 F87T44-A48 VanDerWaalsContact O-CB 3.28Å; T44-A48 WeakPolarHBondContact O-CB 3.5Å; T44-A48 PolarHBondContact O-N 3.13Å; K45-A48 WeakPolarHBondContact O-CB 3.41Å; K45-A48 PolarHBondContact O-N 2.97Å; K45-A48 VanDerWaalsContact O-N 3.07Å; A48-L51 WeakPolarHBondContact O-CB 3.48Å; A48-L51 PolarHBondContact O-N 3.39Å; A48-F52 WeakPolarHBondContact O-CB 3.35Å; A48-F52 PolarHBondContact O-N 3.17Å; A48-M83 HydrophobicContact CB-CG 4.02Å; A48-M83 WeakPolarHBondContact CB-O 3.48Å; A48-K86 HydrophobicContact CB-CB 3.68Å; A48-F87 HydrophobicContact CB-CB 4.21Å
49D89.3Confident84.4Confident37 Ų3756 Ų5620%0.19831%0.306CS..Hα-helixtrans-62.6-43.9176.4-71.7-38.2000110.7K45 L51 F52 E53 R90K45-D49 PolarHBondContact O-N 3.21Å; D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 3.09Å; D49-F52 WeakPolarHBondContact O-CB 3.39Å; D49-F52 PolarHBondContact O-N 3.36Å; D49-F52 VanDerWaalsContact O-N 3.15Å; D49-E53 WeakPolarHBondContact O-CG 3.33Å; D49-E53 PolarHBondContact O-N 2.82Å; D49-R90 IonicContact OD1-CZ 3.84Å; D49-R90 IonicContact OD1-NH1 3.94Å; D49-R90 PolarHBondContact OD1-NH1 3.23Å
50S88.5Confident85.1Confident32 Ų3257.1 Ų57.122%0.22432%0.319CS..Hα-helixtrans-67-30.2176.7-166.50000113.2K11 T46 A54K11-S50 WeakPolarHBondContact CE-OG 3.39Å; K11-S50 PolarHBondContact NZ-OG 3.44Å; T46-S50 WeakPolarHBondContact O-CB 3.44Å; T46-S50 PolarHBondContact O-N 3.08Å; S50-A54 PolarHBondContact O-N 2.92Å
51L90.2Very high85.9Confident0 Ų062.5 Ų62.50%035%0.346CS..Hα-helixtrans-71.9-39172.4-173.965.5000111.2F8 V12 F16 A47 A48 D49 A54 F55 V70 F87F8-L51 HydrophobicContact CE2-CD1 4.14Å; F8-L51 HydrophobicContact CZ-CD1 4.5Å; V12-L51 HydrophobicContact CB-CD1 4.45Å; V12-L51 HydrophobicContact CG2-CD1 3.93Å; F16-L51 HydrophobicContact CE2-CD2 4.32Å; A47-L51 WeakPolarHBondContact O-CB 3.49Å; A47-L51 PolarHBondContact O-N 3.24Å; A48-L51 WeakPolarHBondContact O-CB 3.48Å; A48-L51 PolarHBondContact O-N 3.39Å; D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 3.09Å; L51-A54 PolarHBondContact O-N 3.2Å; L51-F55 WeakPolarHBondContact O-CB 3.3Å; L51-F55 PolarHBondContact O-N 3.47Å; L51-V70 HydrophobicContact CD1-CG2 4.43Å; L51-V70 HydrophobicContact CD2-CG1 3.66Å; L51-V70 HydrophobicContact CD2-CG2 4.05Å; L51-V70 HydrophobicContact CG-CG2 4.48Å; L51-F87 HydrophobicContact CB-CD2 4.29Å; L51-F87 HydrophobicContact CD2-CD2 4.05Å; L51-F87 HydrophobicContact CD2-CE2 4.44Å; L51-F87 HydrophobicContact CD2-CG 4.16Å; L51-F87 HydrophobicContact CG-CD2 4.04Å; L51-F87 HydrophobicContact CG-CE2 4.17Å
52F92.6Very high86.7Confident7 Ų758.2 Ų58.23%0.03133%0.328CS..Hα-helixtrans-63.3-45.9176.3177.3-97.8000112.3A48 D49 A54 F55 Q56 F87 R90 V91 E94 V96A48-F52 WeakPolarHBondContact O-CB 3.35Å; A48-F52 PolarHBondContact O-N 3.17Å; D49-F52 WeakPolarHBondContact O-CB 3.39Å; D49-F52 PolarHBondContact O-N 3.36Å; D49-F52 VanDerWaalsContact O-N 3.15Å; F52-A54 VanDerWaalsContact C-N 3.29Å; F52-A54 PolarHBondContact O-N 2.94Å; F52-F55 WeakPolarHBondContact O-CA 3.32Å; F52-F55 WeakPolarHBondContact O-CB 3.32Å; F52-F55 PolarHBondContact O-N 3.2Å; F52-Q56 HydrophobicContact CZ-CB 4.47Å; F52-Q56 WeakPolarHBondContact O-CB 3.38Å; F52-Q56 PolarHBondContact O-N 2.96Å; F52-F87 HydrophobicContact CB-CD2 4.07Å; F52-F87 HydrophobicContact CB-CE2 4.32Å; F52-F87 HydrophobicContact CD2-CE2 4.46Å; F52-R90 HydrophobicContact CB-CB 4.34Å; F52-R90 HydrophobicContact CD1-CB 4.4Å; F52-R90 HydrophobicContact CD2-CB 3.77Å; F52-R90 HydrophobicContact CE2-CB 4.2Å; F52-R90 HydrophobicContact CG-CB 3.89Å; F52-V91 HydrophobicContact CD2-CG2 3.88Å; F52-V91 HydrophobicContact CE2-CG2 4.03Å; F52-E94 HydrophobicContact CE1-CB 4.47Å; F52-E94 HydrophobicContact CE1-CG 3.93Å; F52-E94 HydrophobicContact CE2-CB 4.3Å; F52-E94 HydrophobicContact CE2-CG 4.36Å; F52-E94 HydrophobicContact CZ-CB 3.64Å; F52-E94 HydrophobicContact CZ-CG 3.54Å; F52-V96 HydrophobicContact CE2-CG2 3.85Å; F52-V96 HydrophobicContact CZ-CG2 3.87Å
53E89.4Confident87.5Confident132 Ų13255.1 Ų55.162%0.61731%0.306SS*.Hα-helixtrans-56.7-43.2175.4-72.6175.4175.800111.9D49 F55 A57D49-E53 WeakPolarHBondContact O-CG 3.33Å; D49-E53 PolarHBondContact O-N 2.82Å; E53-F55 VanDerWaalsContact C-N 3.34Å; E53-A57 PolarHBondContact O-N 3.34Å
54A88.6Confident88.2Confident27 Ų2754.3 Ų54.322%0.22330%0.304CS..Hα-helixtrans-69.5-32.417700000112.6F8 K11 S50 L51 F52F8-A54 HydrophobicContact CD2-CB 4.04Å; K11-A54 HydrophobicContact CB-CB 4.43Å; K11-A54 HydrophobicContact CG-CB 3.98Å; S50-A54 PolarHBondContact O-N 2.92Å; L51-A54 PolarHBondContact O-N 3.2Å; F52-A54 VanDerWaalsContact C-N 3.29Å; F52-A54 PolarHBondContact O-N 2.94Å
55F92.6Very high88.6Confident0 Ų057.6 Ų57.60%033%0.328CS..Hα-helixtrans-70.2-45.2176.9179.8-106.9000111.8F8 L51 F52 E53 A57 L58 L63 A66 F67 F87 V91 V96 L97F8-F55 HydrophobicContact CE2-CB 3.76Å; F8-F55 HydrophobicContact CE2-CD2 4.04Å; F8-F55 HydrophobicContact CE2-CG 4.42Å; F8-F55 HydrophobicContact CZ-CB 4.38Å; F8-F55 AromaticContact CZ-CD2 3.87Å; F8-F55 HydrophobicContact CZ-CD2 3.87Å; L51-F55 WeakPolarHBondContact O-CB 3.3Å; L51-F55 PolarHBondContact O-N 3.47Å; F52-F55 WeakPolarHBondContact O-CA 3.32Å; F52-F55 WeakPolarHBondContact O-CB 3.32Å; F52-F55 PolarHBondContact O-N 3.2Å; E53-F55 VanDerWaalsContact C-N 3.34Å; F55-A57 PolarHBondContact O-N 3.04Å; F55-L58 HydrophobicContact CD2-CD1 4.16Å; F55-L58 WeakPolarHBondContact O-CB 3.24Å; F55-L58 PolarHBondContact O-N 3.5Å; F55-L58 VanDerWaalsContact O-N 3.08Å; F55-L63 HydrophobicContact CD1-CD2 4.26Å; F55-L63 HydrophobicContact CD2-CD2 4.33Å; F55-L63 HydrophobicContact CE1-CD2 3.88Å; F55-L63 HydrophobicContact CE2-CB 4.37Å; F55-L63 HydrophobicContact CE2-CD2 3.95Å; F55-L63 VanDerWaalsContact CE2-O 3.23Å; F55-L63 WeakPolarHBondContact CE2-O 3.43Å; F55-L63 HydrophobicContact CG-CD2 4.47Å; F55-L63 HydrophobicContact CZ-CB 3.92Å; F55-L63 HydrophobicContact CZ-CD2 3.7Å; F55-L63 HydrophobicContact CZ-CG 4.4Å; F55-L63 WeakPolarHBondContact CZ-O 3.43Å; F55-L63 WeakPolarHBondContact O-CD2 3.46Å; F55-A66 HydrophobicContact CD2-CB 4.09Å; F55-A66 HydrophobicContact CE2-CB 3.84Å; F55-F67 HydrophobicContact CE2-CB 3.86Å; F55-F67 HydrophobicContact CZ-CB 3.83Å; F55-F67 HydrophobicContact CZ-CD2 4.16Å; F55-F67 HydrophobicContact CZ-CG 4.47Å; F55-F87 HydrophobicContact CB-CE2 3.77Å; F55-F87 HydrophobicContact CB-CZ 4.07Å; F55-F87 HydrophobicContact CD1-CE2 4.11Å; F55-F87 AromaticContact CD1-CZ 3.91Å; F55-F87 HydrophobicContact CD1-CZ 3.91Å; F55-F87 AromaticContact CD2-CZ 3.95Å; F55-F87 HydrophobicContact CD2-CZ 3.95Å; F55-F87 HydrophobicContact CE1-CZ 4.34Å; F55-F87 HydrophobicContact CE2-CZ 4.38Å; F55-F87 AromaticContact CG-CE2 3.89Å; F55-F87 HydrophobicContact CG-CE2 3.89Å; F55-F87 AromaticContact CG-CZ 3.7Å; F55-F87 HydrophobicContact CG-CZ 3.7Å; F55-V91 HydrophobicContact CD1-CG2 4.08Å; F55-V91 HydrophobicContact CE1-CG1 4.46Å; F55-V91 HydrophobicContact CE1-CG2 3.96Å; F55-V96 HydrophobicContact CD1-CG1 4.35Å; F55-V96 HydrophobicContact CE1-CG1 3.77Å; F55-L97 HydrophobicContact CZ-CD1 4.11Å
56Q90Very high89Confident109 Ų10952.1 Ų52.151%0.50931%0.305SS..Hα-helixtrans-63.8-25.4-179.9-168.4179.22500112.6F52 L58F52-Q56 HydrophobicContact CZ-CB 4.47Å; F52-Q56 WeakPolarHBondContact O-CB 3.38Å; F52-Q56 PolarHBondContact O-N 2.96Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 3.02Å
57A88.4Confident89.5Confident75 Ų7548 Ų4862%0.6228%0.279SS*.THydrogen-bonded Turntrans-76.5-5.9176.300000114.4E53 F55E53-A57 PolarHBondContact O-N 3.34Å; F55-A57 PolarHBondContact O-N 3.04Å
58L89.7Confident89.9Confident14 Ų1448.3 Ų48.37%0.07328%0.282CS..SBendtrans-78.3152.9179-70.4171.9000112.4A4 Q5 F8 F55 Q56 L63 A66A4-L58 HydrophobicContact CB-CD2 4.14Å; Q5-L58 HydrophobicContact CG-CD2 4.22Å; F8-L58 HydrophobicContact CB-CD1 4.18Å; F8-L58 HydrophobicContact CB-CD2 3.91Å; F8-L58 HydrophobicContact CB-CG 4.33Å; F8-L58 HydrophobicContact CD1-CD1 3.88Å; F8-L58 HydrophobicContact CD2-CD1 3.98Å; F8-L58 HydrophobicContact CE1-CD1 4.23Å; F8-L58 HydrophobicContact CE2-CD1 4.33Å; F8-L58 HydrophobicContact CG-CD1 3.74Å; F8-L58 HydrophobicContact CG-CD2 4.38Å; F8-L58 HydrophobicContact CG-CG 4.34Å; F8-L58 HydrophobicContact CZ-CD1 4.43Å; F55-L58 HydrophobicContact CD2-CD1 4.16Å; F55-L58 WeakPolarHBondContact O-CB 3.24Å; F55-L58 PolarHBondContact O-N 3.5Å; F55-L58 VanDerWaalsContact O-N 3.08Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 3.02Å; L58-L63 HydrophobicContact CB-CD2 3.95Å; L58-A66 HydrophobicContact CD1-CB 3.42Å; L58-A66 VanDerWaalsContact CD1-CB 3.42Å
59P87Confident89.9Confident67 Ų6751.5 Ų51.544%0.43530%0.299SS..  trans-59.3143.8169-19.431.2000111.5D61 S62P59-D61 PolarHBondContact O-N 2.99Å; P59-D61 VanDerWaalsContact O-N 3.16Å; P59-S62 WeakPolarHBondContact O-CB 3.35Å; P59-S62 PolarHBondContact O-N 2.97Å
60T84.7Confident90.1Very high116 Ų11649.8 Ų49.871%0.71229%0.29SS*.G310 helixtrans-53.2-40.3-175.5-38.40000112.8S62 L63T60-S62 PolarHBondContact O-N 3.38Å; T60-L63 HydrophobicContact CG2-CD1 4.19Å; T60-L63 PolarHBondContact O-N 3.07Å
61D84.5Confident90.3Very high159 Ų15948.2 Ų48.285%0.8528%0.279SS*.G310 helixtrans-66.3-18.8179.7-57.3-30.8000113.8P59P59-D61 PolarHBondContact O-N 2.99Å; P59-D61 VanDerWaalsContact O-N 3.16Å
62S88.2Confident90.2Very high14 Ų1451.1 Ų51.110%0.09830%0.295CS..G310 helixtrans-94.8-15.3-179.4-56.20000113.2Q5 P59 T60 E64 S65 A66Q5-S62 PolarHBondContact NE2-OG 2.97Å; P59-S62 WeakPolarHBondContact O-CB 3.35Å; P59-S62 PolarHBondContact O-N 2.97Å; T60-S62 PolarHBondContact O-N 3.38Å; S62-E64 PolarHBondContact O-N 3.46Å; S62-S65 PolarHBondContact O-N 2.82Å; S62-S65 PolarHBondContact O-OG 3.25Å; S62-A66 WeakPolarHBondContact O-CB 3.46Å; S62-A66 PolarHBondContact O-N 3.41Å
63L92.6Very high90Very high13 Ų1354 Ų547%0.06831%0.305CS..Hα-helixtrans-60.4-44.1-170.1-69173.8000112.5F55 L58 T60 S65 A66 F67 V96 L97F55-L63 HydrophobicContact CD1-CD2 4.26Å; F55-L63 HydrophobicContact CD2-CD2 4.33Å; F55-L63 HydrophobicContact CE1-CD2 3.88Å; F55-L63 HydrophobicContact CE2-CB 4.37Å; F55-L63 HydrophobicContact CE2-CD2 3.95Å; F55-L63 VanDerWaalsContact CE2-O 3.23Å; F55-L63 WeakPolarHBondContact CE2-O 3.43Å; F55-L63 HydrophobicContact CG-CD2 4.47Å; F55-L63 HydrophobicContact CZ-CB 3.92Å; F55-L63 HydrophobicContact CZ-CD2 3.7Å; F55-L63 HydrophobicContact CZ-CG 4.4Å; F55-L63 WeakPolarHBondContact CZ-O 3.43Å; F55-L63 WeakPolarHBondContact O-CD2 3.46Å; L58-L63 HydrophobicContact CB-CD2 3.95Å; T60-L63 HydrophobicContact CG2-CD1 4.19Å; T60-L63 PolarHBondContact O-N 3.07Å; L63-S65 PolarHBondContact O-N 3.35Å; L63-A66 PolarHBondContact O-N 2.91Å; L63-F67 VanDerWaalsContact O-CB 3.22Å; L63-F67 WeakPolarHBondContact O-CB 3.48Å; L63-F67 PolarHBondContact O-N 2.85Å; L63-V96 HydrophobicContact CD1-CG1 3.98Å; L63-V96 HydrophobicContact CD2-CG1 4.48Å; L63-L97 HydrophobicContact CB-CD2 4.11Å
64E92.1Very high89.9Confident112 Ų11247.9 Ų47.952%0.52328%0.276SS..Hα-helixtrans-63.6-45.2-178.8-60.8-166.416300112.1S62 F67 A68 L97 C101 I105S62-E64 PolarHBondContact O-N 3.46Å; E64-F67 PolarHBondContact O-N 3.3Å; E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 3.13Å; E64-L97 HydrophobicContact CG-CD2 4.26Å; E64-C101 PolarHBondContact OE1-SG 3.05Å; E64-I105 HydrophobicContact CB-CD1 4.26Å
65S90.2Very high89.6Confident72 Ų7249 Ų4950%0.50329%0.285SS..Hα-helixtrans-64.9-41.8177.968.80000112.2S62 L63 A68 D69S62-S65 PolarHBondContact O-N 2.82Å; S62-S65 PolarHBondContact O-OG 3.25Å; L63-S65 PolarHBondContact O-N 3.35Å; S65-A68 PolarHBondContact O-N 3.09Å; S65-D69 PolarHBondContact O-N 3.29Å
66A91.9Very high89.1Confident5 Ų553.5 Ų53.54%0.04131%0.313CS..Hα-helixtrans-67.1-37.6177.500000112F8 F55 L58 S62 L63 D69 V70F8-A66 HydrophobicContact CD1-CB 4.03Å; F8-A66 HydrophobicContact CE1-CB 3.54Å; F8-A66 HydrophobicContact CZ-CB 4.11Å; F55-A66 HydrophobicContact CD2-CB 4.09Å; F55-A66 HydrophobicContact CE2-CB 3.84Å; L58-A66 HydrophobicContact CD1-CB 3.42Å; L58-A66 VanDerWaalsContact CD1-CB 3.42Å; S62-A66 WeakPolarHBondContact O-CB 3.46Å; S62-A66 PolarHBondContact O-N 3.41Å; L63-A66 PolarHBondContact O-N 2.91Å; A66-D69 PolarHBondContact O-N 3.44Å; A66-V70 WeakPolarHBondContact O-CG2 3.28Å; A66-V70 PolarHBondContact O-N 2.97Å
67F94.9Very high88.7Confident0 Ų049.5 Ų49.50%030%0.297CS..Hα-helixtrans-65.7-45.2175.4-175-96.5000110.7F55 L63 E64 D69 V70 V71 F87 I88 V91 L97 I102 I105F55-F67 HydrophobicContact CE2-CB 3.86Å; F55-F67 HydrophobicContact CZ-CB 3.83Å; F55-F67 HydrophobicContact CZ-CD2 4.16Å; F55-F67 HydrophobicContact CZ-CG 4.47Å; L63-F67 VanDerWaalsContact O-CB 3.22Å; L63-F67 WeakPolarHBondContact O-CB 3.48Å; L63-F67 PolarHBondContact O-N 2.85Å; E64-F67 PolarHBondContact O-N 3.3Å; F67-D69 VanDerWaalsContact C-N 3.32Å; F67-D69 PolarHBondContact O-N 2.96Å; F67-V70 PolarHBondContact O-N 3.37Å; F67-V71 HydrophobicContact CD1-CG2 3.91Å; F67-V71 HydrophobicContact CE1-CG2 3.62Å; F67-V71 HydrophobicContact CZ-CG2 4.04Å; F67-V71 WeakPolarHBondContact O-CG2 3.11Å; F67-V71 PolarHBondContact O-N 3.27Å; F67-F87 AromaticContact CD2-CE1 3.52Å; F67-F87 HydrophobicContact CD2-CE1 3.52Å; F67-F87 HydrophobicContact CD2-CZ 4.04Å; F67-F87 HydrophobicContact CE2-CD1 4.3Å; F67-F87 AromaticContact CE2-CE1 3.69Å; F67-F87 HydrophobicContact CE2-CE1 3.69Å; F67-F87 HydrophobicContact CE2-CZ 4.49Å; F67-I88 HydrophobicContact CE2-CG1 4.1Å; F67-I88 HydrophobicContact CZ-CG1 3.81Å; F67-I88 HydrophobicContact CZ-CG2 4.44Å; F67-V91 HydrophobicContact CD2-CG1 4.3Å; F67-V91 HydrophobicContact CD2-CG2 4.28Å; F67-V91 HydrophobicContact CE2-CB 4.2Å; F67-V91 HydrophobicContact CE2-CG1 3.98Å; F67-V91 HydrophobicContact CE2-CG2 4.07Å; F67-L97 HydrophobicContact CB-CD1 3.75Å; F67-L97 HydrophobicContact CD1-CD1 4.09Å; F67-L97 HydrophobicContact CD2-CD1 3.82Å; F67-L97 HydrophobicContact CE2-CD1 4.44Å; F67-L97 HydrophobicContact CG-CD1 3.62Å; F67-I102 HydrophobicContact CE1-CB 4.37Å; F67-I102 HydrophobicContact CE1-CG1 4.23Å; F67-I102 HydrophobicContact CE1-CG2 4.04Å; F67-I102 HydrophobicContact CZ-CB 4.34Å; F67-I102 HydrophobicContact CZ-CG1 3.98Å; F67-I102 HydrophobicContact CZ-CG2 3.78Å; F67-I105 HydrophobicContact CB-CD1 4.47Å; F67-I105 HydrophobicContact CD1-CB 4.17Å; F67-I105 HydrophobicContact CD1-CD1 3.65Å; F67-I105 HydrophobicContact CD1-CG2 3.87Å; F67-I105 HydrophobicContact CE1-CB 4.31Å; F67-I105 HydrophobicContact CE1-CD1 4.4Å; F67-I105 HydrophobicContact CE1-CG2 4.21Å; F67-I105 HydrophobicContact CG-CD1 4.49Å
68A93.4Very high88.1Confident24 Ų2449.3 Ų49.320%0.19830%0.296CS..Hα-helixtrans-58.9-41.9174.600000112.2E64 S65 V70 V71 N72 I105E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 3.13Å; S65-A68 PolarHBondContact O-N 3.09Å; A68-V70 VanDerWaalsContact C-N 3.31Å; A68-V70 PolarHBondContact O-N 3.46Å; A68-V71 PolarHBondContact O-N 3.18Å; A68-N72 WeakPolarHBondContact O-CB 3.3Å; A68-N72 PolarHBondContact O-N 2.91Å; A68-N72 PolarHBondContact O-ND2 2.86Å; A68-I105 HydrophobicContact CB-CG2 3.75Å
69D89.4Confident87.7Confident67 Ų6749.5 Ų49.536%0.35830%0.299SS..Hα-helixtrans-59.8-38.3175.8-84.1-5.9000112.7S65 A66 F67 R73S65-D69 PolarHBondContact O-N 3.29Å; A66-D69 PolarHBondContact O-N 3.44Å; F67-D69 VanDerWaalsContact C-N 3.32Å; F67-D69 PolarHBondContact O-N 2.96Å; D69-R73 WeakPolarHBondContact O-CG 3.22Å
70V92.2Very high87.6Confident0 Ų046.4 Ų46.40%028%0.279CS..Hα-helixtrans-70.7-48175.3172.10000111F8 V12 F16 L51 A66 F67 A68 N72 R73 V84 F87F8-V70 HydrophobicContact CE1-CG2 4.24Å; F8-V70 HydrophobicContact CZ-CG2 3.66Å; V12-V70 HydrophobicContact CG1-CG2 4.25Å; V12-V70 HydrophobicContact CG2-CG2 4.14Å; F16-V70 HydrophobicContact CE2-CG1 4.43Å; F16-V70 HydrophobicContact CZ-CG1 4.33Å; L51-V70 HydrophobicContact CD1-CG2 4.43Å; L51-V70 HydrophobicContact CD2-CG1 3.66Å; L51-V70 HydrophobicContact CD2-CG2 4.05Å; L51-V70 HydrophobicContact CG-CG2 4.48Å; A66-V70 WeakPolarHBondContact O-CG2 3.28Å; A66-V70 PolarHBondContact O-N 2.97Å; F67-V70 PolarHBondContact O-N 3.37Å; A68-V70 VanDerWaalsContact C-N 3.31Å; A68-V70 PolarHBondContact O-N 3.46Å; V70-N72 VanDerWaalsContact C-N 3.27Å; V70-N72 PolarHBondContact O-N 2.94Å; V70-R73 PolarHBondContact O-N 2.82Å; V70-R73 VanDerWaalsContact O-N 3.09Å; V70-V84 HydrophobicContact CG1-CG2 4.08Å; V70-F87 HydrophobicContact CB-CD1 4.5Å; V70-F87 HydrophobicContact CB-CE1 4.06Å; V70-F87 HydrophobicContact CG1-CD1 3.66Å; V70-F87 HydrophobicContact CG1-CE1 3.71Å; V70-F87 HydrophobicContact CG1-CG 4.36Å; V70-F87 HydrophobicContact CG1-CZ 4.45Å; V70-F87 HydrophobicContact CG2-CE1 4.39Å; V70-F87 HydrophobicContact CG2-CZ 4.47Å
71V92.8Very high87.9Confident0 Ų041.1 Ų41.10%025%0.246CC..Hα-helixtrans-56.9-42.1179.31690000110.9F67 A68 R73 R74 I105 L106F67-V71 HydrophobicContact CD1-CG2 3.91Å; F67-V71 HydrophobicContact CE1-CG2 3.62Å; F67-V71 HydrophobicContact CZ-CG2 4.04Å; F67-V71 WeakPolarHBondContact O-CG2 3.11Å; F67-V71 PolarHBondContact O-N 3.27Å; A68-V71 PolarHBondContact O-N 3.18Å; V71-R73 PolarHBondContact O-N 2.83Å; V71-R73 VanDerWaalsContact O-N 3.12Å; V71-R74 VanDerWaalsContact O-CB 3.28Å; V71-R74 WeakPolarHBondContact O-CB 3.39Å; V71-R74 VanDerWaalsContact O-CD 3.28Å; V71-R74 WeakPolarHBondContact O-CD 3.42Å; V71-R74 WeakPolarHBondContact O-CG 3.45Å; V71-R74 PolarHBondContact O-N 2.54Å; V71-I105 HydrophobicContact CG2-CG2 4.43Å; V71-L106 HydrophobicContact CG1-CD2 3.84Å; V71-L106 HydrophobicContact CG2-CD2 4.12Å
72N89.4Confident88Confident61 Ų6136.7 Ų36.733%0.32622%0.222SC..G310 helixtrans-64.4-18.4-178.6-70.4-20.5000113.9A68 V70 S109 P110A68-N72 WeakPolarHBondContact O-CB 3.3Å; A68-N72 PolarHBondContact O-N 2.91Å; A68-N72 PolarHBondContact O-ND2 2.86Å; V70-N72 VanDerWaalsContact C-N 3.27Å; V70-N72 PolarHBondContact O-N 2.94Å; N72-S109 PolarHBondContact OD1-OG 3.34Å; N72-P110 VanDerWaalsContact OD1-CD 3.31Å; N72-P110 WeakPolarHBondContact OD1-CD 3.48Å
73R87.6Confident88Confident68 Ų6836 Ų3626%0.25722%0.218SC..G310 helixtrans-88.1-1.9177-63.3180-169.5-155.53113.5V12 T13 F16 D69 V70 V71 A75 V76V12-R73 PolarHBondContact O-NH1 2.86Å; T13-R73 VanDerWaalsContact CA-NH1 3.31Å; T13-R73 VanDerWaalsContact N-NH1 3.18Å; T13-R73 PolarHBondContact OG1-NH1 3.12Å; F16-R73 HydrophobicContact CD1-CB 3.65Å; F16-R73 HydrophobicContact CD2-CB 4.41Å; F16-R73 HydrophobicContact CE1-CB 3.26Å; F16-R73 HydrophobicContact CE1-CG 4.45Å; F16-R73 WeakPolarHBondContact CE1-O 3.5Å; F16-R73 HydrophobicContact CE2-CB 4.08Å; F16-R73 HydrophobicContact CG-CB 4.2Å; F16-R73 HydrophobicContact CZ-CB 3.49Å; F16-R73 VanDerWaalsContact CZ-CB 3.49Å; F16-R73 HydrophobicContact CZ-CG 4.46Å; D69-R73 WeakPolarHBondContact O-CG 3.22Å; V70-R73 PolarHBondContact O-N 2.82Å; V70-R73 VanDerWaalsContact O-N 3.09Å; V71-R73 PolarHBondContact O-N 2.83Å; V71-R73 VanDerWaalsContact O-N 3.12Å; R73-A75 PolarHBondContact O-N 3.24Å; R73-V76 HydrophobicContact CB-CG2 4.43Å; R73-V76 WeakPolarHBondContact O-CB 3.4Å; R73-V76 WeakPolarHBondContact O-CG2 3.08Å; R73-V76 PolarHBondContact O-N 3.03Å
74R87.5Confident88Confident2 Ų235.4 Ų35.41%0.00821%0.214CC..G310 helixtrans-62-27.3178.473.7-170.8-62.7-167.2-4.6114V71 V76 N81 V84 A111 V119 T123V71-R74 VanDerWaalsContact O-CB 3.28Å; V71-R74 WeakPolarHBondContact O-CB 3.39Å; V71-R74 VanDerWaalsContact O-CD 3.28Å; V71-R74 WeakPolarHBondContact O-CD 3.42Å; V71-R74 WeakPolarHBondContact O-CG 3.45Å; V71-R74 PolarHBondContact O-N 2.54Å; R74-V76 PolarHBondContact O-N 2.86Å; R74-N81 HydrophobicContact CB-CB 4.44Å; R74-N81 VanDerWaalsContact CZ-OD1 3.3Å; R74-N81 PolarHBondContact NE-OD1 2.82Å; R74-N81 PolarHBondContact NH2-OD1 2.93Å; R74-V84 HydrophobicContact CB-CB 4.19Å; R74-V84 HydrophobicContact CB-CG1 4.2Å; R74-V84 HydrophobicContact CB-CG2 4.12Å; R74-A111 HydrophobicContact CG-CB 3.91Å; R74-V119 HydrophobicContact CG-CG1 4.08Å; R74-V119 HydrophobicContact CG-CG2 3.79Å; R74-V119 PolarHBondContact NH2-O 2.7Å; R74-T123 PolarHBondContact NH1-OG1 3.41Å; R74-T123 PolarHBondContact NH2-OG1 3.34Å
75A82.6Confident88Confident50 Ų5032 Ų3241%0.41320%0.2SC..G310 helixtrans-74.7-5.4-18000000113.9R73 A111R73-A75 PolarHBondContact O-N 3.24Å; A75-A111 HydrophobicContact CB-CB 3.9Å
76V82.1Confident88.1Confident96 Ų9630.7 Ų30.758%0.58219%0.185SC*.G310 helixtrans-64.3-41-178.6173.20000111.9R73 R74 A80R73-V76 HydrophobicContact CB-CG2 4.43Å; R73-V76 WeakPolarHBondContact O-CB 3.4Å; R73-V76 WeakPolarHBondContact O-CG2 3.08Å; R73-V76 PolarHBondContact O-N 3.03Å; R74-V76 PolarHBondContact O-N 2.86Å; V76-A80 HydrophobicContact CB-CB 4.13Å
77S80.5Confident88.2Confident25 Ų2530.5 Ų30.518%0.17518%0.183CC..  trans-165.4166.2177.771.60000111.4A79 A80 N81S77-A79 VanDerWaalsContact C-N 3.26Å; S77-A79 PolarHBondContact O-N 2.97Å; S77-A80 WeakPolarHBondContact O-CB 3.29Å; S77-A80 PolarHBondContact O-N 3.45Å; S77-A80 WeakPolarHBondContact OG-CB 3.38Å; S77-A80 PolarHBondContact OG-N 3.09Å; S77-N81 PolarHBondContact O-N 3.31Å
78A77.3Confident88.2Confident71 Ų7130.7 Ų30.759%0.58718%0.184SC*.Hα-helixtrans-60.1-36.3173.900000112.6N81 L82A78-N81 PolarHBondContact O-N 3.47Å; A78-L82 PolarHBondContact O-N 3.34Å
79A80.7Confident88.2Confident17 Ų1730.7 Ų30.714%0.1419%0.187CC..Hα-helixtrans-68.9-37.9175.800000112.2V19 L23 S77 L82 M83V19-A79 HydrophobicContact CG1-CB 3.7Å; L23-A79 HydrophobicContact CD1-CB 4.2Å; S77-A79 VanDerWaalsContact C-N 3.26Å; S77-A79 PolarHBondContact O-N 2.97Å; A79-L82 PolarHBondContact O-N 2.64Å; A79-M83 WeakPolarHBondContact O-CB 3.17Å; A79-M83 PolarHBondContact O-N 3.07Å
80A85.9Confident88.4Confident2 Ų230.9 Ų30.92%0.01718%0.182CC..Hα-helixtrans-62.6-43.6172.900000111F16 V76 S77 M83 V84F16-A80 HydrophobicContact CD1-CB 4.07Å; F16-A80 HydrophobicContact CE1-CB 3.94Å; V76-A80 HydrophobicContact CB-CB 4.13Å; S77-A80 WeakPolarHBondContact O-CB 3.29Å; S77-A80 PolarHBondContact O-N 3.45Å; S77-A80 WeakPolarHBondContact OG-CB 3.38Å; S77-A80 PolarHBondContact OG-N 3.09Å; A80-M83 PolarHBondContact O-N 3.02Å; A80-V84 WeakPolarHBondContact O-CB 3.41Å; A80-V84 VanDerWaalsContact O-CG2 3.25Å; A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.28Å
81N89Confident88.5Confident5 Ų530.9 Ų30.93%0.02718%0.182CC..Hα-helixtrans-61.2-45.3174.5-176.159.4000112.3R74 S77 A78 M83 V84 N85 D122R74-N81 HydrophobicContact CB-CB 4.44Å; R74-N81 VanDerWaalsContact CZ-OD1 3.3Å; R74-N81 PolarHBondContact NE-OD1 2.82Å; R74-N81 PolarHBondContact NH2-OD1 2.93Å; S77-N81 PolarHBondContact O-N 3.31Å; A78-N81 PolarHBondContact O-N 3.47Å; N81-M83 PolarHBondContact O-N 3.48Å; N81-V84 PolarHBondContact O-N 2.87Å; N81-N85 PolarHBondContact O-N 2.74Å; N81-N85 PolarHBondContact O-ND2 3.24Å; N81-N85 PolarHBondContact O-OD1 3.2Å; N81-D122 PolarHBondContact ND2-OD2 3.16Å
82L86.9Confident88.5Confident66 Ų6632.1 Ų32.135%0.34619%0.19SC..Hα-helixtrans-61.4-43.4176.6-177.664.8000112.4T44 A78 A79 N85 K86T44-L82 HydrophobicContact CG2-CD2 4.47Å; A78-L82 PolarHBondContact O-N 3.34Å; A79-L82 PolarHBondContact O-N 2.64Å; L82-N85 PolarHBondContact O-N 3.4Å; L82-K86 WeakPolarHBondContact O-CG 3.15Å; L82-K86 PolarHBondContact O-N 3.28Å; L82-K86 VanDerWaalsContact O-N 3.09Å
83M89.2Confident88.6Confident0 Ų035.5 Ų35.50%020%0.204CC..Hα-helixtrans-61.6-45.7175-179-147-62.500111.2V15 V19 T44 A47 A48 A79 A80 N81 N85 K86 F87V15-M83 HydrophobicContact CG1-CE 3.55Å; V15-M83 HydrophobicContact CG1-SD 3.46Å; V15-M83 WeakPolarHBondContact CG1-SD 3.17Å; V19-M83 HydrophobicContact CB-CE 3.6Å; V19-M83 HydrophobicContact CG1-CE 3.96Å; V19-M83 HydrophobicContact CG2-CE 3.05Å; T44-M83 HydrophobicContact CG2-CB 4.45Å; A47-M83 HydrophobicContact CB-CE 3.93Å; A47-M83 HydrophobicContact CB-CG 4.2Å; A47-M83 HydrophobicContact CB-SD 4.27Å; A48-M83 HydrophobicContact CB-CG 4.02Å; A48-M83 WeakPolarHBondContact CB-O 3.48Å; A79-M83 WeakPolarHBondContact O-CB 3.17Å; A79-M83 PolarHBondContact O-N 3.07Å; A80-M83 PolarHBondContact O-N 3.02Å; N81-M83 PolarHBondContact O-N 3.48Å; M83-N85 VanDerWaalsContact C-N 3.32Å; M83-N85 PolarHBondContact O-N 3.43Å; M83-K86 PolarHBondContact O-N 3.21Å; M83-F87 PolarHBondContact O-N 3.46Å
84V92.2Very high88.8Confident0 Ų036.6 Ų36.60%021%0.212CC..Hα-helixtrans-61.2-41.3177.2170.60000110.7F16 V70 R74 A80 N81 K86 F87 I88F16-V84 HydrophobicContact CE1-CG2 4.05Å; F16-V84 HydrophobicContact CZ-CG2 3.63Å; V70-V84 HydrophobicContact CG1-CG2 4.08Å; R74-V84 HydrophobicContact CB-CB 4.19Å; R74-V84 HydrophobicContact CB-CG1 4.2Å; R74-V84 HydrophobicContact CB-CG2 4.12Å; A80-V84 WeakPolarHBondContact O-CB 3.41Å; A80-V84 VanDerWaalsContact O-CG2 3.25Å; A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.28Å; N81-V84 PolarHBondContact O-N 2.87Å; V84-K86 VanDerWaalsContact C-N 3.34Å; V84-K86 PolarHBondContact O-N 3.38Å; V84-F87 WeakPolarHBondContact O-CB 3.33Å; V84-F87 PolarHBondContact O-N 3.02Å; V84-I88 HydrophobicContact CG1-CD1 3.75Å; V84-I88 HydrophobicContact CG1-CG1 4.24Å; V84-I88 WeakPolarHBondContact O-CG1 3.38Å; V84-I88 PolarHBondContact O-N 2.9Å
85N92.5Very high88.9Confident41 Ų4144.3 Ų44.322%0.21925%0.248CC..Hα-helixtrans-60.6-42175.7-67.2-16.8000112.1N81 L82 M83 I88 G89 D122N81-N85 PolarHBondContact O-N 2.74Å; N81-N85 PolarHBondContact O-ND2 3.24Å; N81-N85 PolarHBondContact O-OD1 3.2Å; L82-N85 PolarHBondContact O-N 3.4Å; M83-N85 VanDerWaalsContact C-N 3.32Å; M83-N85 PolarHBondContact O-N 3.43Å; N85-I88 PolarHBondContact O-N 3.05Å; N85-G89 PolarHBondContact O-N 3.03Å; N85-D122 PolarHBondContact ND2-OD2 3.29Å
86K91.3Very high89.3Confident45 Ų4543.7 Ų43.720%0.19624%0.239CC..Hα-helixtrans-64.9-40.4175.1-69.7-174.6-179.9-166.40112.2E41 K45 A48 L82 M83 V84 G89 R90E41-K86 PolarHBondContact O-NZ 2.86Å; E41-K86 IonicContact OE1-NZ 2.87Å; K45-K86 HydrophobicContact CB-CD 3.98Å; K45-K86 HydrophobicContact CG-CD 4.43Å; A48-K86 HydrophobicContact CB-CB 3.68Å; L82-K86 WeakPolarHBondContact O-CG 3.15Å; L82-K86 PolarHBondContact O-N 3.28Å; L82-K86 VanDerWaalsContact O-N 3.09Å; M83-K86 PolarHBondContact O-N 3.21Å; V84-K86 VanDerWaalsContact C-N 3.34Å; V84-K86 PolarHBondContact O-N 3.38Å; K86-G89 PolarHBondContact O-N 3.42Å; K86-R90 PolarHBondContact O-N 3.21Å; K86-R90 VanDerWaalsContact O-N 3.08Å
87F94.6Very high89.9Confident0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-61.6-45.4174.2166.3-100.2000111.3A48 L51 F52 F55 F67 V70 M83 V84 G89 R90 V91A48-F87 HydrophobicContact CB-CB 4.21Å; L51-F87 HydrophobicContact CB-CD2 4.29Å; L51-F87 HydrophobicContact CD2-CD2 4.05Å; L51-F87 HydrophobicContact CD2-CE2 4.44Å; L51-F87 HydrophobicContact CD2-CG 4.16Å; L51-F87 HydrophobicContact CG-CD2 4.04Å; L51-F87 HydrophobicContact CG-CE2 4.17Å; F52-F87 HydrophobicContact CB-CD2 4.07Å; F52-F87 HydrophobicContact CB-CE2 4.32Å; F52-F87 HydrophobicContact CD2-CE2 4.46Å; F55-F87 HydrophobicContact CB-CE2 3.77Å; F55-F87 HydrophobicContact CB-CZ 4.07Å; F55-F87 HydrophobicContact CD1-CE2 4.11Å; F55-F87 AromaticContact CD1-CZ 3.91Å; F55-F87 HydrophobicContact CD1-CZ 3.91Å; F55-F87 AromaticContact CD2-CZ 3.95Å; F55-F87 HydrophobicContact CD2-CZ 3.95Å; F55-F87 HydrophobicContact CE1-CZ 4.34Å; F55-F87 HydrophobicContact CE2-CZ 4.38Å; F55-F87 AromaticContact CG-CE2 3.89Å; F55-F87 HydrophobicContact CG-CE2 3.89Å; F55-F87 AromaticContact CG-CZ 3.7Å; F55-F87 HydrophobicContact CG-CZ 3.7Å; F67-F87 AromaticContact CD2-CE1 3.52Å; F67-F87 HydrophobicContact CD2-CE1 3.52Å; F67-F87 HydrophobicContact CD2-CZ 4.04Å; F67-F87 HydrophobicContact CE2-CD1 4.3Å; F67-F87 AromaticContact CE2-CE1 3.69Å; F67-F87 HydrophobicContact CE2-CE1 3.69Å; F67-F87 HydrophobicContact CE2-CZ 4.49Å; V70-F87 HydrophobicContact CB-CD1 4.5Å; V70-F87 HydrophobicContact CB-CE1 4.06Å; V70-F87 HydrophobicContact CG1-CD1 3.66Å; V70-F87 HydrophobicContact CG1-CE1 3.71Å; V70-F87 HydrophobicContact CG1-CG 4.36Å; V70-F87 HydrophobicContact CG1-CZ 4.45Å; V70-F87 HydrophobicContact CG2-CE1 4.39Å; V70-F87 HydrophobicContact CG2-CZ 4.47Å; M83-F87 PolarHBondContact O-N 3.46Å; V84-F87 WeakPolarHBondContact O-CB 3.33Å; V84-F87 PolarHBondContact O-N 3.02Å; F87-G89 VanDerWaalsContact C-N 3.31Å; F87-G89 PolarHBondContact O-N 2.62Å; F87-R90 PolarHBondContact O-N 3.04Å; F87-V91 HydrophobicContact CD1-CG2 4.5Å; F87-V91 HydrophobicContact CD2-CG2 4.43Å; F87-V91 HydrophobicContact CE1-CG2 4.09Å; F87-V91 HydrophobicContact CE2-CG2 4Å; F87-V91 HydrophobicContact CZ-CG2 3.82Å; F87-V91 WeakPolarHBondContact O-CG2 3.46Å; F87-V91 PolarHBondContact O-N 2.92Å
88I95.5Very high90.4Very high5 Ų542.3 Ų42.33%0.02623%0.231CC..Hα-helixtrans-59.2-44174.8-65.1163.8000110.4F67 V84 N85 R90 V91 V92 I102 L106 F126F67-I88 HydrophobicContact CE2-CG1 4.1Å; F67-I88 HydrophobicContact CZ-CG1 3.81Å; F67-I88 HydrophobicContact CZ-CG2 4.44Å; V84-I88 HydrophobicContact CG1-CD1 3.75Å; V84-I88 HydrophobicContact CG1-CG1 4.24Å; V84-I88 WeakPolarHBondContact O-CG1 3.38Å; V84-I88 PolarHBondContact O-N 2.9Å; N85-I88 PolarHBondContact O-N 3.05Å; I88-R90 PolarHBondContact O-N 3.47Å; I88-V91 PolarHBondContact O-N 3.22Å; I88-V91 VanDerWaalsContact O-N 3.16Å; I88-V92 HydrophobicContact CG2-CG2 4.47Å; I88-V92 WeakPolarHBondContact O-CG2 3.28Å; I88-V92 PolarHBondContact O-N 3.43Å; I88-I102 HydrophobicContact CG2-CG2 4.02Å; I88-L106 HydrophobicContact CD1-CD2 3.87Å; I88-F126 HydrophobicContact CG2-CD2 3.97Å; I88-F126 HydrophobicContact CG2-CE2 3.56Å; I88-F126 HydrophobicContact CG2-CZ 3.96Å
89G92.8Very high91.2Very high24 Ų2440 Ų4025%0.24721%0.21CC..Hα-helixtrans-53.5-49.8175.400000112.4N85 K86 F87 V91 V92 E93N85-G89 PolarHBondContact O-N 3.03Å; K86-G89 PolarHBondContact O-N 3.42Å; F87-G89 VanDerWaalsContact C-N 3.31Å; F87-G89 PolarHBondContact O-N 2.62Å; G89-V91 PolarHBondContact O-N 3.03Å; G89-V92 PolarHBondContact O-N 3.16Å; G89-E93 WeakPolarHBondContact O-CB 3.39Å; G89-E93 WeakPolarHBondContact O-CG 3.43Å; G89-E93 PolarHBondContact O-N 3.2Å
90R93.2Very high91.9Very high71 Ų7143 Ų4327%0.26822%0.22SC..Hα-helixtrans-62.2-40.2176-66.7-55.6-56.3-105.19113.1D49 F52 K86 F87 I88 V92 E93 E94D49-R90 IonicContact OD1-CZ 3.84Å; D49-R90 IonicContact OD1-NH1 3.94Å; D49-R90 PolarHBondContact OD1-NH1 3.23Å; F52-R90 HydrophobicContact CB-CB 4.34Å; F52-R90 HydrophobicContact CD1-CB 4.4Å; F52-R90 HydrophobicContact CD2-CB 3.77Å; F52-R90 HydrophobicContact CE2-CB 4.2Å; F52-R90 HydrophobicContact CG-CB 3.89Å; K86-R90 PolarHBondContact O-N 3.21Å; K86-R90 VanDerWaalsContact O-N 3.08Å; F87-R90 PolarHBondContact O-N 3.04Å; I88-R90 PolarHBondContact O-N 3.47Å; R90-V92 VanDerWaalsContact C-N 3.27Å; R90-V92 PolarHBondContact O-N 3.28Å; R90-E93 WeakPolarHBondContact CD-OE2 3.35Å; R90-E93 IonicContact NE-OE2 3.92Å; R90-E93 PolarHBondContact O-N 3.28Å; R90-E94 IonicContact CZ-OE1 2.63Å; R90-E94 IonicContact NH2-OE1 3.5Å; R90-E94 PolarHBondContact NH2-OE1 3.34Å; R90-E94 WeakPolarHBondContact O-CB 3.4Å; R90-E94 VanDerWaalsContact O-CG 3.31Å; R90-E94 WeakPolarHBondContact O-CG 3.22Å; R90-E94 PolarHBondContact O-N 3.33Å
91V94.5Very high92.3Very high0 Ų043.8 Ų43.80%023%0.225CC..Hα-helixtrans-61.7-36.3176.9172.10000111.8F52 F55 F67 F87 I88 G89 H95 V96 L97 I102F52-V91 HydrophobicContact CD2-CG2 3.88Å; F52-V91 HydrophobicContact CE2-CG2 4.03Å; F55-V91 HydrophobicContact CD1-CG2 4.08Å; F55-V91 HydrophobicContact CE1-CG1 4.46Å; F55-V91 HydrophobicContact CE1-CG2 3.96Å; F67-V91 HydrophobicContact CD2-CG1 4.3Å; F67-V91 HydrophobicContact CD2-CG2 4.28Å; F67-V91 HydrophobicContact CE2-CB 4.2Å; F67-V91 HydrophobicContact CE2-CG1 3.98Å; F67-V91 HydrophobicContact CE2-CG2 4.07Å; F87-V91 HydrophobicContact CD1-CG2 4.5Å; F87-V91 HydrophobicContact CD2-CG2 4.43Å; F87-V91 HydrophobicContact CE1-CG2 4.09Å; F87-V91 HydrophobicContact CE2-CG2 4Å; F87-V91 HydrophobicContact CZ-CG2 3.82Å; F87-V91 WeakPolarHBondContact O-CG2 3.46Å; F87-V91 PolarHBondContact O-N 2.92Å; I88-V91 PolarHBondContact O-N 3.22Å; I88-V91 VanDerWaalsContact O-N 3.16Å; G89-V91 PolarHBondContact O-N 3.03Å; V91-H95 PolarHBondContact O-N 3.21Å; V91-V96 HydrophobicContact CG1-CB 4.24Å; V91-V96 PolarHBondContact O-N 2.88Å; V91-L97 HydrophobicContact CG1-CB 3.88Å; V91-L97 HydrophobicContact CG1-CD1 4.22Å; V91-L97 HydrophobicContact CG1-CG 4.11Å; V91-I102 HydrophobicContact CG1-CD1 3.99Å
92V93Very high92.6Very high26 Ų2643.6 Ų43.616%0.15822%0.224CC..Hα-helixtrans-74.7-47.9176.1175.10000111.9I88 G89 R90 E94 H95 V99 I102 F126I88-V92 HydrophobicContact CG2-CG2 4.47Å; I88-V92 WeakPolarHBondContact O-CG2 3.28Å; I88-V92 PolarHBondContact O-N 3.43Å; G89-V92 PolarHBondContact O-N 3.16Å; R90-V92 VanDerWaalsContact C-N 3.27Å; R90-V92 PolarHBondContact O-N 3.28Å; V92-E94 VanDerWaalsContact C-N 3.31Å; V92-E94 PolarHBondContact O-N 2.99Å; V92-H95 PolarHBondContact O-N 2.84Å; V92-H95 VanDerWaalsContact O-N 3.1Å; V92-H95 PolarHBondContact O-ND1 3.49Å; V92-H95 VanDerWaalsContact O-ND1 3.12Å; V92-V99 HydrophobicContact CG1-CG2 4.47Å; V92-I102 HydrophobicContact CG2-CD1 3.45Å; V92-I102 VanDerWaalsContact CG2-CD1 3.45Å; V92-F126 HydrophobicContact CG2-CE2 3.77Å; V92-F126 HydrophobicContact CG2-CZ 3.7Å
93E91.4Very high93Very high131 Ų13140.4 Ų40.461%0.61221%0.207SC*.Hα-helixtrans-58.7-41.4-179.9-76172.6-177.400112G89 R90 H95G89-E93 WeakPolarHBondContact O-CB 3.39Å; G89-E93 WeakPolarHBondContact O-CG 3.43Å; G89-E93 PolarHBondContact O-N 3.2Å; R90-E93 WeakPolarHBondContact CD-OE2 3.35Å; R90-E93 IonicContact NE-OE2 3.92Å; R90-E93 PolarHBondContact O-N 3.28Å; E93-H95 VanDerWaalsContact C-N 3.28Å; E93-H95 PolarHBondContact O-N 3.39Å
94E92.3Very high93.3Very high91 Ų9141.1 Ų41.143%0.42522%0.215SC..THydrogen-bonded Turntrans-89.26.8-179.9-58.3-73172.500112.6F52 R90 V92 V96F52-E94 HydrophobicContact CE1-CB 4.47Å; F52-E94 HydrophobicContact CE1-CG 3.93Å; F52-E94 HydrophobicContact CE2-CB 4.3Å; F52-E94 HydrophobicContact CE2-CG 4.36Å; F52-E94 HydrophobicContact CZ-CB 3.64Å; F52-E94 HydrophobicContact CZ-CG 3.54Å; R90-E94 IonicContact CZ-OE1 2.63Å; R90-E94 IonicContact NH2-OE1 3.5Å; R90-E94 PolarHBondContact NH2-OE1 3.34Å; R90-E94 WeakPolarHBondContact O-CB 3.4Å; R90-E94 VanDerWaalsContact O-CG 3.31Å; R90-E94 WeakPolarHBondContact O-CG 3.22Å; R90-E94 PolarHBondContact O-N 3.33Å; V92-E94 VanDerWaalsContact C-N 3.31Å; V92-E94 PolarHBondContact O-N 2.99Å; E94-V96 HydrophobicContact CB-CG2 3.95Å; E94-V96 PolarHBondContact O-N 3.29Å; E94-V96 VanDerWaalsContact O-N 3.09Å
95H89.8Confident93.4Very high165 Ų16542.4 Ų42.476%0.76422%0.221SC*.THydrogen-bonded Turntrans51.732.5177.7-57.4-49.4000115.1V91 V92 E93V91-H95 PolarHBondContact O-N 3.21Å; V92-H95 PolarHBondContact O-N 2.84Å; V92-H95 VanDerWaalsContact O-N 3.1Å; V92-H95 PolarHBondContact O-ND1 3.49Å; V92-H95 VanDerWaalsContact O-ND1 3.12Å; E93-H95 VanDerWaalsContact C-N 3.28Å; E93-H95 PolarHBondContact O-N 3.39Å
96V91.3Very high93.6Very high37 Ų3740.5 Ų40.522%0.22421%0.211CC..SBendtrans-71.9-37.8-175.9179.40000111.5F52 F55 L63 V91 E94F52-V96 HydrophobicContact CE2-CG2 3.85Å; F52-V96 HydrophobicContact CZ-CG2 3.87Å; F55-V96 HydrophobicContact CD1-CG1 4.35Å; F55-V96 HydrophobicContact CE1-CG1 3.77Å; L63-V96 HydrophobicContact CD1-CG1 3.98Å; L63-V96 HydrophobicContact CD2-CG1 4.48Å; V91-V96 HydrophobicContact CG1-CB 4.24Å; V91-V96 PolarHBondContact O-N 2.88Å; E94-V96 HydrophobicContact CB-CG2 3.95Å; E94-V96 PolarHBondContact O-N 3.29Å; E94-V96 VanDerWaalsContact O-N 3.09Å
97L93Very high93.7Very high19 Ų1938.7 Ų38.710%0.09920%0.203CC..SBendtrans-125.4146.5172.6-68.9178.8000109.9F55 L63 E64 F67 V91 I102F55-L97 HydrophobicContact CZ-CD1 4.11Å; L63-L97 HydrophobicContact CB-CD2 4.11Å; E64-L97 HydrophobicContact CG-CD2 4.26Å; F67-L97 HydrophobicContact CB-CD1 3.75Å; F67-L97 HydrophobicContact CD1-CD1 4.09Å; F67-L97 HydrophobicContact CD2-CD1 3.82Å; F67-L97 HydrophobicContact CE2-CD1 4.44Å; F67-L97 HydrophobicContact CG-CD1 3.62Å; V91-L97 HydrophobicContact CG1-CB 3.88Å; V91-L97 HydrophobicContact CG1-CD1 4.22Å; V91-L97 HydrophobicContact CG1-CG 4.11Å; L97-I102 HydrophobicContact CB-CD1 4.09Å; L97-I102 HydrophobicContact CB-CG1 3.86Å; L97-I102 HydrophobicContact CD1-CG1 4.49Å
98S92.4Very high93.6Very high72 Ų7247.2 Ų47.250%0.50324%0.236SC..  trans-65.4144.5173.669.40000111K100 C101 I102S98-K100 PolarHBondContact O-N 3.3Å; S98-K100 VanDerWaalsContact O-N 3.15Å; S98-C101 WeakPolarHBondContact O-CB 3.38Å; S98-C101 PolarHBondContact O-N 3.28Å; S98-C101 WeakPolarHBondContact OG-CB 3.1Å; S98-C101 PolarHBondContact OG-N 3.4Å; S98-I102 WeakPolarHBondContact O-CG1 3.47Å; S98-I102 PolarHBondContact O-N 3.1Å
99V94.5Very high93.4Very high23 Ų2347.3 Ų47.314%0.13924%0.237CC..Hα-helixtrans-52.9-37.1174.1173.70000111V92 I102 C103 N130 L134V92-V99 HydrophobicContact CG1-CG2 4.47Å; V99-I102 PolarHBondContact O-N 3.27Å; V99-C103 WeakPolarHBondContact O-CB 3.46Å; V99-C103 PolarHBondContact O-N 3.09Å; V99-C103 PolarHBondContact O-SG 2.82Å; V99-N130 HydrophobicContact CG1-CB 3.7Å; V99-L134 HydrophobicContact CB-CD2 3.84Å; V99-L134 HydrophobicContact CG1-CD1 4.3Å; V99-L134 HydrophobicContact CG1-CD2 3.89Å; V99-L134 HydrophobicContact CG1-CG 4.13Å
100K94.5Very high93.1Very high81 Ų8151.4 Ų51.435%0.35226%0.259SS..Hα-helixtrans-57.6-50.8174.7-178.1-168.6-176.9165.80111.8S98 I102 C103 G104 L134 D141S98-K100 PolarHBondContact O-N 3.3Å; S98-K100 VanDerWaalsContact O-N 3.15Å; K100-I102 VanDerWaalsContact C-N 3.34Å; K100-C103 PolarHBondContact O-N 3.46Å; K100-G104 PolarHBondContact O-N 3.03Å; K100-L134 HydrophobicContact CB-CD2 4.18Å; K100-D141 WeakPolarHBondContact CE-OD2 3.34Å; K100-D141 IonicContact NZ-OD2 3.8Å; K100-D141 PolarHBondContact NZ-OD2 2.66Å
101C94Very high92.7Very high18 Ų1848.6 Ų48.612%0.12225%0.251CS..Hα-helixtrans-61.6-45.8-179.8179.70000110.5E64 S98 C103 G104 I105E64-C101 PolarHBondContact OE1-SG 3.05Å; S98-C101 WeakPolarHBondContact O-CB 3.38Å; S98-C101 PolarHBondContact O-N 3.28Å; S98-C101 WeakPolarHBondContact OG-CB 3.1Å; S98-C101 PolarHBondContact OG-N 3.4Å; C101-C103 PolarHBondContact O-N 3.44Å; C101-G104 PolarHBondContact O-N 2.65Å; C101-I105 WeakPolarHBondContact O-CG1 3.44Å; C101-I105 PolarHBondContact O-N 3.49Å
102I96.1Very high92.6Very high0 Ų049.6 Ų49.60%026%0.256CS..Hα-helixtrans-59.1-51.4177.9-63.4168.1000111F67 I88 V91 V92 L97 S98 V99 K100 G104 I105 L106 F126F67-I102 HydrophobicContact CE1-CB 4.37Å; F67-I102 HydrophobicContact CE1-CG1 4.23Å; F67-I102 HydrophobicContact CE1-CG2 4.04Å; F67-I102 HydrophobicContact CZ-CB 4.34Å; F67-I102 HydrophobicContact CZ-CG1 3.98Å; F67-I102 HydrophobicContact CZ-CG2 3.78Å; I88-I102 HydrophobicContact CG2-CG2 4.02Å; V91-I102 HydrophobicContact CG1-CD1 3.99Å; V92-I102 HydrophobicContact CG2-CD1 3.45Å; V92-I102 VanDerWaalsContact CG2-CD1 3.45Å; L97-I102 HydrophobicContact CB-CD1 4.09Å; L97-I102 HydrophobicContact CB-CG1 3.86Å; L97-I102 HydrophobicContact CD1-CG1 4.49Å; S98-I102 WeakPolarHBondContact O-CG1 3.47Å; S98-I102 PolarHBondContact O-N 3.1Å; V99-I102 PolarHBondContact O-N 3.27Å; K100-I102 VanDerWaalsContact C-N 3.34Å; I102-G104 VanDerWaalsContact C-N 3.28Å; I102-G104 PolarHBondContact O-N 3.16Å; I102-I105 PolarHBondContact O-N 2.87Å; I102-L106 HydrophobicContact CG2-CD1 3.85Å; I102-L106 HydrophobicContact CG2-CG 4.2Å; I102-L106 WeakPolarHBondContact O-CB 3.41Å; I102-L106 VanDerWaalsContact O-CG 3.29Å; I102-L106 WeakPolarHBondContact O-CG 3.38Å; I102-L106 PolarHBondContact O-N 3.49Å; I102-F126 HydrophobicContact CB-CE1 4.36Å; I102-F126 HydrophobicContact CB-CZ 4.41Å; I102-F126 HydrophobicContact CG2-CD1 4.45Å; I102-F126 HydrophobicContact CG2-CE1 3.52Å; I102-F126 HydrophobicContact CG2-CZ 3.6Å
103C95.8Very high92.3Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-56.9-42.2176.5-71.60000111.9V99 K100 C101 L106 L107 V142V99-C103 WeakPolarHBondContact O-CB 3.46Å; V99-C103 PolarHBondContact O-N 3.09Å; V99-C103 PolarHBondContact O-SG 2.82Å; K100-C103 PolarHBondContact O-N 3.46Å; C101-C103 PolarHBondContact O-N 3.44Å; C103-L106 PolarHBondContact O-N 3.43Å; C103-L107 WeakPolarHBondContact O-CB 3.05Å; C103-L107 WeakPolarHBondContact O-CG 3.01Å; C103-L107 PolarHBondContact O-N 3.32Å; C103-V142 HydrophobicContact CB-CG1 4.29Å; C103-V142 HydrophobicContact CB-CG2 3.8Å
104G94.3Very high92Very high15 Ų1544.7 Ų44.716%0.15524%0.237CC..Hα-helixtrans-62.1-43.4177.600000113.2K100 C101 I102 R108K100-G104 PolarHBondContact O-N 3.03Å; C101-G104 PolarHBondContact O-N 2.65Å; I102-G104 VanDerWaalsContact C-N 3.28Å; I102-G104 PolarHBondContact O-N 3.16Å; G104-R108 WeakPolarHBondContact O-CB 3.44Å; G104-R108 VanDerWaalsContact O-CG 3.25Å; G104-R108 WeakPolarHBondContact O-CG 3.38Å; G104-R108 PolarHBondContact O-N 3.24Å
105I95Very high91.7Very high26 Ų2645.6 Ų45.613%0.13325%0.245CC..Hα-helixtrans-69.5-42.8177.7-65.9169.4000110.9E64 F67 A68 V71 C101 I102 R108 S109E64-I105 HydrophobicContact CB-CD1 4.26Å; F67-I105 HydrophobicContact CB-CD1 4.47Å; F67-I105 HydrophobicContact CD1-CB 4.17Å; F67-I105 HydrophobicContact CD1-CD1 3.65Å; F67-I105 HydrophobicContact CD1-CG2 3.87Å; F67-I105 HydrophobicContact CE1-CB 4.31Å; F67-I105 HydrophobicContact CE1-CD1 4.4Å; F67-I105 HydrophobicContact CE1-CG2 4.21Å; F67-I105 HydrophobicContact CG-CD1 4.49Å; A68-I105 HydrophobicContact CB-CG2 3.75Å; V71-I105 HydrophobicContact CG2-CG2 4.43Å; C101-I105 WeakPolarHBondContact O-CG1 3.44Å; C101-I105 PolarHBondContact O-N 3.49Å; I102-I105 PolarHBondContact O-N 2.87Å; I105-R108 PolarHBondContact O-N 3.32Å; I105-S109 PolarHBondContact O-N 2.86Å
106L95.6Very high91.6Very high2 Ų240 Ų401%0.0122%0.22CC..Hα-helixtrans-60.2-47.6178.2-74.5178.6000112.1V71 I88 I102 C103 R108 S109 T123 F126V71-L106 HydrophobicContact CG1-CD2 3.84Å; V71-L106 HydrophobicContact CG2-CD2 4.12Å; I88-L106 HydrophobicContact CD1-CD2 3.87Å; I102-L106 HydrophobicContact CG2-CD1 3.85Å; I102-L106 HydrophobicContact CG2-CG 4.2Å; I102-L106 WeakPolarHBondContact O-CB 3.41Å; I102-L106 VanDerWaalsContact O-CG 3.29Å; I102-L106 WeakPolarHBondContact O-CG 3.38Å; I102-L106 PolarHBondContact O-N 3.49Å; C103-L106 PolarHBondContact O-N 3.43Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3.45Å; L106-S109 WeakPolarHBondContact O-CB 3.42Å; L106-S109 PolarHBondContact O-N 2.94Å; L106-T123 HydrophobicContact CB-CG2 3.93Å; L106-F126 HydrophobicContact CD1-CD1 3.48Å; L106-F126 VanDerWaalsContact CD1-CD1 3.48Å; L106-F126 HydrophobicContact CD1-CE1 3.9Å; L106-F126 HydrophobicContact CD1-CG 4.13Å
107L93.7Very high91.4Very high6 Ų642.1 Ų42.13%0.03123%0.225CC..Hα-helixtrans-70.1-25.1-179.5-72.1171.6000113.5C103 L112 F124 I127 V142 I145 L149C103-L107 WeakPolarHBondContact O-CB 3.05Å; C103-L107 WeakPolarHBondContact O-CG 3.01Å; C103-L107 PolarHBondContact O-N 3.32Å; L107-L112 HydrophobicContact CD2-CD2 4.16Å; L107-F124 HydrophobicContact CD2-CE1 4.21Å; L107-F124 HydrophobicContact CD2-CZ 4.14Å; L107-I127 HydrophobicContact CD1-CD1 4.08Å; L107-I127 HydrophobicContact CD2-CD1 3.64Å; L107-I127 HydrophobicContact CG-CD1 3.82Å; L107-V142 HydrophobicContact CD1-CG1 3.76Å; L107-I145 HydrophobicContact CB-CB 4.39Å; L107-I145 HydrophobicContact CB-CG2 3.58Å; L107-I145 HydrophobicContact CD1-CB 4.2Å; L107-I145 HydrophobicContact CD1-CG2 4.28Å; L107-L149 HydrophobicContact CD2-CD1 4.16Å
108R92.7Very high91.1Very high179 Ų17943.8 Ų43.868%0.67524%0.238SC*.THydrogen-bonded Turntrans-93.3-0.8176.9-67.7178.1-170.5-86.8-0.4113.5G104 I105 L106 I145G104-R108 WeakPolarHBondContact O-CB 3.44Å; G104-R108 VanDerWaalsContact O-CG 3.25Å; G104-R108 WeakPolarHBondContact O-CG 3.38Å; G104-R108 PolarHBondContact O-N 3.24Å; I105-R108 PolarHBondContact O-N 3.32Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3.45Å; R108-I145 HydrophobicContact CG-CG2 4.17Å
109S91.2Very high91Very high7 Ų740.4 Ų40.45%0.04921%0.214CC..  trans-66.6128.8-177.9-178.70000110.3N72 I105 L106 A111 L112N72-S109 PolarHBondContact OD1-OG 3.34Å; I105-S109 PolarHBondContact O-N 2.86Å; L106-S109 WeakPolarHBondContact O-CB 3.42Å; L106-S109 PolarHBondContact O-N 2.94Å; S109-A111 PolarHBondContact O-N 3.34Å; S109-A111 VanDerWaalsContact O-N 3.07Å; S109-A111 WeakPolarHBondContact OG-CB 3.42Å; S109-A111 PolarHBondContact OG-N 3.35Å; S109-L112 WeakPolarHBondContact O-CB 3.3Å; S109-L112 PolarHBondContact O-N 3.38Å
110P86.3Confident90.9Very high110 Ų11039.5 Ų39.571%0.71421%0.208SC*.THydrogen-bonded Turntrans-60.2-16171.523.8-35.9000113.6N72 L112N72-P110 VanDerWaalsContact OD1-CD 3.31Å; N72-P110 WeakPolarHBondContact OD1-CD 3.48Å; P110-L112 VanDerWaalsContact C-N 3.29Å
111A85.8Confident90.8Very high12 Ų1238.5 Ų38.510%0.09921%0.205CC..THydrogen-bonded Turntrans-74.2-18.9173.700000113.1R74 A75 S109 S113 V119R74-A111 HydrophobicContact CG-CB 3.91Å; A75-A111 HydrophobicContact CB-CB 3.9Å; S109-A111 PolarHBondContact O-N 3.34Å; S109-A111 VanDerWaalsContact O-N 3.07Å; S109-A111 WeakPolarHBondContact OG-CB 3.42Å; S109-A111 PolarHBondContact OG-N 3.35Å; A111-S113 PolarHBondContact O-N 3.16Å; A111-S113 VanDerWaalsContact O-N 3.08Å; A111-V119 WeakPolarHBondContact O-CG1 3.43Å
112L91Very high90.7Very high22 Ų2239.6 Ų39.612%0.11521%0.209CC..  trans-75.697.6-179.5-174.764.3000110.1L107 S109 P110 V119 W120 T123 F124 L149L107-L112 HydrophobicContact CD2-CD2 4.16Å; S109-L112 WeakPolarHBondContact O-CB 3.3Å; S109-L112 PolarHBondContact O-N 3.38Å; P110-L112 VanDerWaalsContact C-N 3.29Å; L112-V119 HydrophobicContact CD1-CG1 4.48Å; L112-W120 HydrophobicContact CD1-CD2 4.3Å; L112-W120 HydrophobicContact CD1-CE3 3.7Å; L112-W120 HydrophobicContact CD1-CZ3 4.26Å; L112-W120 HydrophobicContact CG-CE3 3.98Å; L112-W120 HydrophobicContact CG-CZ3 4.07Å; L112-T123 HydrophobicContact CD1-CG2 4.08Å; L112-T123 HydrophobicContact CD2-CG2 4.38Å; L112-F124 HydrophobicContact CD1-CE2 4.48Å; L112-L149 HydrophobicContact CD2-CD1 4.34Å; L112-L149 HydrophobicContact CD2-CD2 4.27Å
113S87.1Confident90.7Very high47 Ų4739.7 Ų39.733%0.32921%0.21SC..  trans-133.6141.4177.6-179.10000110.3A111 N115 N116A111-S113 PolarHBondContact O-N 3.16Å; A111-S113 VanDerWaalsContact O-N 3.08Å; S113-N115 PolarHBondContact O-N 3.34Å; S113-N115 VanDerWaalsContact O-N 3.13Å; S113-N115 PolarHBondContact OG-N 3.29Å; S113-N116 PolarHBondContact O-N 3.03Å
114V85.5Confident90.7Very high7 Ų739.7 Ų39.74%0.04221%0.21CC..THydrogen-bonded Turntrans-59.2-23.8174.7-1780000111.6N116 W120 L155 Q159 A162 L163V114-N116 VanDerWaalsContact C-N 3.26Å; V114-N116 PolarHBondContact O-N 3.29Å; V114-W120 HydrophobicContact CB-CE3 4.43Å; V114-W120 HydrophobicContact CB-CZ3 4.46Å; V114-W120 HydrophobicContact CG2-CD2 4.24Å; V114-W120 HydrophobicContact CG2-CE3 3.84Å; V114-W120 HydrophobicContact CG2-CH2 3.52Å; V114-W120 HydrophobicContact CG2-CZ2 3.94Å; V114-W120 HydrophobicContact CG2-CZ3 3.46Å; V114-W120 VanDerWaalsContact CG2-CZ3 3.46Å; V114-L155 HydrophobicContact CG1-CD2 4.48Å; V114-Q159 HydrophobicContact CG1-CB 3.65Å; V114-Q159 HydrophobicContact CG1-CG 3.92Å; V114-A162 HydrophobicContact CG1-CB 4.49Å; V114-L163 HydrophobicContact CG1-CG 4.46Å
115N85.6Confident90.7Very high109 Ų10940.7 Ų40.758%0.58321%0.214SC*.THydrogen-bonded Turntrans-72.5-18175.9-62.2-23000113.1S113 Q159S113-N115 PolarHBondContact O-N 3.34Å; S113-N115 VanDerWaalsContact O-N 3.13Å; S113-N115 PolarHBondContact OG-N 3.29Å; N115-Q159 PolarHBondContact OD1-NE2 2.77Å
116N87.6Confident90.8Very high47 Ų4740.9 Ų40.925%0.25121%0.214SC..  trans-106.584.5177.9-169.3-25.7000109.6S113 V114 C118 V119 W120S113-N116 PolarHBondContact O-N 3.03Å; V114-N116 VanDerWaalsContact C-N 3.26Å; V114-N116 PolarHBondContact O-N 3.29Å; N116-C118 VanDerWaalsContact C-N 3.3Å; N116-C118 PolarHBondContact O-N 3.25Å; N116-V119 HydrophobicContact CB-CB 4.16Å; N116-V119 HydrophobicContact CB-CG2 4.5Å; N116-V119 VanDerWaalsContact ND2-CG2 3.31Å; N116-V119 WeakPolarHBondContact ND2-CG2 3.41Å; N116-V119 PolarHBondContact O-N 2.68Å; N116-V119 WeakPolarHBondContact OD1-CG2 3.4Å; N116-V119 PolarHBondContact OD1-N 3.32Å; N116-W120 WeakPolarHBondContact O-CB 3.36Å; N116-W120 PolarHBondContact O-N 2.71Å
117Y86.8Confident90.9Very high82 Ų8241 Ų4132%0.32222%0.215SC..Hα-helixtrans-49.2-47.8-176.8174.8-90.6000112.8W120 H121 K161 A162Y117-W120 PolarHBondContact O-N 3.38Å; Y117-H121 HydrophobicContact CE1-CB 4.26Å; Y117-H121 WeakPolarHBondContact O-CB 3.29Å; Y117-H121 PolarHBondContact O-N 2.65Å; Y117-K161 HydrophobicContact CE2-CB 4.2Å; Y117-K161 HydrophobicContact CE2-CD 4.04Å; Y117-K161 HydrophobicContact CE2-CG 3.89Å; Y117-A162 HydrophobicContact CD2-CB 3.89Å
118C87.8Confident91Very high54 Ų5442.7 Ų42.737%0.36522%0.223SC..Hα-helixtrans-65.7-46-175.7-59.40000112N116 D122N116-C118 VanDerWaalsContact C-N 3.3Å; N116-C118 PolarHBondContact O-N 3.25Å; C118-D122 WeakPolarHBondContact O-CB 3.47Å; C118-D122 PolarHBondContact O-N 3.19Å
119V90.5Very high91.1Very high1 Ų139.6 Ų39.61%0.00622%0.221CC..Hα-helixtrans-65-43.1178.7168.20000111R74 A111 L112 N116 T123R74-V119 HydrophobicContact CG-CG1 4.08Å; R74-V119 HydrophobicContact CG-CG2 3.79Å; R74-V119 PolarHBondContact NH2-O 2.7Å; A111-V119 WeakPolarHBondContact O-CG1 3.43Å; L112-V119 HydrophobicContact CD1-CG1 4.48Å; N116-V119 HydrophobicContact CB-CB 4.16Å; N116-V119 HydrophobicContact CB-CG2 4.5Å; N116-V119 VanDerWaalsContact ND2-CG2 3.31Å; N116-V119 WeakPolarHBondContact ND2-CG2 3.41Å; N116-V119 PolarHBondContact O-N 2.68Å; N116-V119 WeakPolarHBondContact OD1-CG2 3.4Å; N116-V119 PolarHBondContact OD1-N 3.32Å; V119-T123 WeakPolarHBondContact O-CB 3.41Å; V119-T123 PolarHBondContact O-N 3.11Å; V119-T123 VanDerWaalsContact O-N 3.14Å; V119-T123 PolarHBondContact O-OG1 3.03Å
120W91.8Very high91.3Very high5 Ų541 Ų412%0.01923%0.227CC..Hα-helixtrans-62-54.6176.6-170.8-83.8000111.1L112 V114 N116 Y117 D122 T123 F124 L149 I151 A162 L163L112-W120 HydrophobicContact CD1-CD2 4.3Å; L112-W120 HydrophobicContact CD1-CE3 3.7Å; L112-W120 HydrophobicContact CD1-CZ3 4.26Å; L112-W120 HydrophobicContact CG-CE3 3.98Å; L112-W120 HydrophobicContact CG-CZ3 4.07Å; V114-W120 HydrophobicContact CB-CE3 4.43Å; V114-W120 HydrophobicContact CB-CZ3 4.46Å; V114-W120 HydrophobicContact CG2-CD2 4.24Å; V114-W120 HydrophobicContact CG2-CE3 3.84Å; V114-W120 HydrophobicContact CG2-CH2 3.52Å; V114-W120 HydrophobicContact CG2-CZ2 3.94Å; V114-W120 HydrophobicContact CG2-CZ3 3.46Å; V114-W120 VanDerWaalsContact CG2-CZ3 3.46Å; N116-W120 WeakPolarHBondContact O-CB 3.36Å; N116-W120 PolarHBondContact O-N 2.71Å; Y117-W120 PolarHBondContact O-N 3.38Å; W120-D122 PolarHBondContact O-N 3.04Å; W120-T123 PolarHBondContact O-N 3.41Å; W120-F124 AromaticContact CD1-CD2 3.7Å; W120-F124 HydrophobicContact CD2-CD2 4.08Å; W120-F124 AromaticContact CD2-CE2 3.73Å; W120-F124 HydrophobicContact CD2-CE2 3.73Å; W120-F124 AromaticContact CE2-CD2 3.72Å; W120-F124 AromaticContact CE2-CE2 3.28Å; W120-F124 HydrophobicContact CE3-CE2 4.22Å; W120-F124 HydrophobicContact CG-CD2 4.09Å; W120-F124 HydrophobicContact CG-CE2 4.24Å; W120-F124 AromaticContact CH2-CE2 3.96Å; W120-F124 HydrophobicContact CH2-CE2 3.96Å; W120-F124 HydrophobicContact CH2-CZ 4.39Å; W120-F124 HydrophobicContact CZ2-CD2 4.27Å; W120-F124 AromaticContact CZ2-CE2 3.42Å; W120-F124 HydrophobicContact CZ2-CE2 3.42Å; W120-F124 VanDerWaalsContact CZ2-CE2 3.42Å; W120-F124 AromaticContact CZ2-CZ 3.98Å; W120-F124 HydrophobicContact CZ2-CZ 3.98Å; W120-F124 HydrophobicContact CZ3-CE2 4.33Å; W120-F124 AromaticContact NE1-CD2 3.47Å; W120-F124 AromaticContact NE1-CE2 3.54Å; W120-F124 VanDerWaalsContact O-CD2 3.3Å; W120-F124 WeakPolarHBondContact O-CD2 3.49Å; W120-F124 PolarHBondContact O-N 3.18Å; W120-F124 VanDerWaalsContact O-N 3.13Å; W120-L149 HydrophobicContact CH2-CD1 4.26Å; W120-I151 HydrophobicContact CH2-CG1 4.3Å; W120-A162 HydrophobicContact CG-CB 4.29Å; W120-A162 PolarHBondContact NE1-O 3.14Å; W120-A162 VanDerWaalsContact NE1-O 3.17Å; W120-L163 HydrophobicContact CH2-CD2 4.48Å; W120-L163 HydrophobicContact CZ2-CD2 3.57Å
121H91.7Very high91.8Very high60 Ų6035.8 Ų35.828%0.27819%0.193SC..Hα-helixtrans-53.9-52.4-178.2178.6-85.5000111.7Y117 T123 F124 S125Y117-H121 HydrophobicContact CE1-CB 4.26Å; Y117-H121 WeakPolarHBondContact O-CB 3.29Å; Y117-H121 PolarHBondContact O-N 2.65Å; H121-T123 VanDerWaalsContact C-N 3.35Å; H121-T123 PolarHBondContact O-N 3.04Å; H121-F124 PolarHBondContact O-N 2.75Å; H121-S125 WeakPolarHBondContact O-CB 3.43Å; H121-S125 PolarHBondContact O-N 3.11Å
122D93.5Very high92.1Very high41 Ų4138.5 Ų38.522%0.21921%0.212CC..Hα-helixtrans-71.8-31.2-173.9-62.5-14.2000112.4N81 N85 C118 W120 F126N81-D122 PolarHBondContact ND2-OD2 3.16Å; N85-D122 PolarHBondContact ND2-OD2 3.29Å; C118-D122 WeakPolarHBondContact O-CB 3.47Å; C118-D122 PolarHBondContact O-N 3.19Å; W120-D122 PolarHBondContact O-N 3.04Å; D122-F126 WeakPolarHBondContact O-CB 3.4Å; D122-F126 PolarHBondContact O-N 2.9Å
123T95Very high92.2Very high1 Ų141.4 Ų41.41%0.00623%0.234CC..Hα-helixtrans-61.3-49.1172.9-58.90000111R74 L106 L112 V119 W120 H121 F126 I127R74-T123 PolarHBondContact NH1-OG1 3.41Å; R74-T123 PolarHBondContact NH2-OG1 3.34Å; L106-T123 HydrophobicContact CB-CG2 3.93Å; L112-T123 HydrophobicContact CD1-CG2 4.08Å; L112-T123 HydrophobicContact CD2-CG2 4.38Å; V119-T123 WeakPolarHBondContact O-CB 3.41Å; V119-T123 PolarHBondContact O-N 3.11Å; V119-T123 VanDerWaalsContact O-N 3.14Å; V119-T123 PolarHBondContact O-OG1 3.03Å; W120-T123 PolarHBondContact O-N 3.41Å; H121-T123 VanDerWaalsContact C-N 3.35Å; H121-T123 PolarHBondContact O-N 3.04Å; T123-F126 PolarHBondContact O-N 3.44Å; T123-I127 HydrophobicContact CG2-CD1 4.11Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.05Å; T123-I127 PolarHBondContact O-N 2.84Å; T123-I127 VanDerWaalsContact O-N 3.09Å
124F95.5Very high92.5Very high1 Ų140.5 Ų40.50%0.00423%0.225CC..Hα-helixtrans-75.7-30.1-177.8-79.4-71.4000112.9L107 L112 W120 H121 I127 L128 F146 L149 I165 V169L107-F124 HydrophobicContact CD2-CE1 4.21Å; L107-F124 HydrophobicContact CD2-CZ 4.14Å; L112-F124 HydrophobicContact CD1-CE2 4.48Å; W120-F124 AromaticContact CD1-CD2 3.7Å; W120-F124 HydrophobicContact CD2-CD2 4.08Å; W120-F124 AromaticContact CD2-CE2 3.73Å; W120-F124 HydrophobicContact CD2-CE2 3.73Å; W120-F124 AromaticContact CE2-CD2 3.72Å; W120-F124 AromaticContact CE2-CE2 3.28Å; W120-F124 HydrophobicContact CE3-CE2 4.22Å; W120-F124 HydrophobicContact CG-CD2 4.09Å; W120-F124 HydrophobicContact CG-CE2 4.24Å; W120-F124 AromaticContact CH2-CE2 3.96Å; W120-F124 HydrophobicContact CH2-CE2 3.96Å; W120-F124 HydrophobicContact CH2-CZ 4.39Å; W120-F124 HydrophobicContact CZ2-CD2 4.27Å; W120-F124 AromaticContact CZ2-CE2 3.42Å; W120-F124 HydrophobicContact CZ2-CE2 3.42Å; W120-F124 VanDerWaalsContact CZ2-CE2 3.42Å; W120-F124 AromaticContact CZ2-CZ 3.98Å; W120-F124 HydrophobicContact CZ2-CZ 3.98Å; W120-F124 HydrophobicContact CZ3-CE2 4.33Å; W120-F124 AromaticContact NE1-CD2 3.47Å; W120-F124 AromaticContact NE1-CE2 3.54Å; W120-F124 VanDerWaalsContact O-CD2 3.3Å; W120-F124 WeakPolarHBondContact O-CD2 3.49Å; W120-F124 PolarHBondContact O-N 3.18Å; W120-F124 VanDerWaalsContact O-N 3.13Å; H121-F124 PolarHBondContact O-N 2.75Å; F124-I127 HydrophobicContact CD1-CD1 4.2Å; F124-I127 HydrophobicContact CE1-CD1 4.38Å; F124-I127 PolarHBondContact O-N 3.15Å; F124-L128 WeakPolarHBondContact O-CB 3.36Å; F124-L128 PolarHBondContact O-N 3.47Å; F124-F146 HydrophobicContact CD1-CE2 4.36Å; F124-F146 AromaticContact CE1-CD2 3.32Å; F124-F146 HydrophobicContact CE1-CD2 3.32Å; F124-F146 AromaticContact CE1-CE2 3.29Å; F124-F146 HydrophobicContact CE1-CE2 3.29Å; F124-F146 HydrophobicContact CE1-CG 4.47Å; F124-F146 HydrophobicContact CE1-CZ 4.44Å; F124-F146 AromaticContact CZ-CD2 3.6Å; F124-F146 HydrophobicContact CZ-CD2 3.6Å; F124-F146 AromaticContact CZ-CE2 3.53Å; F124-F146 HydrophobicContact CZ-CE2 3.53Å; F124-L149 HydrophobicContact CZ-CD1 3.81Å; F124-I165 HydrophobicContact CB-CB 4.13Å; F124-I165 HydrophobicContact CB-CG1 3.68Å; F124-I165 HydrophobicContact CB-CG2 3.48Å; F124-I165 VanDerWaalsContact CB-CG2 3.48Å; F124-I165 HydrophobicContact CD2-CG2 4.42Å; F124-I165 HydrophobicContact CG-CG2 4.23Å; F124-V169 HydrophobicContact CB-CG2 4.22Å; F124-V169 HydrophobicContact CD1-CB 4.39Å; F124-V169 HydrophobicContact CD1-CG2 4.09Å; F124-V169 VanDerWaalsContact O-CG2 3.32Å; F124-V169 WeakPolarHBondContact O-CG2 3.29Å
125S95.7Very high92.9Very high35 Ų3544 Ų4425%0.24524%0.244CC..Hα-helixtrans-62.2-48.2169.8-163.20000110.6H121 I127 L128 D129H121-S125 WeakPolarHBondContact O-CB 3.43Å; H121-S125 PolarHBondContact O-N 3.11Å; S125-I127 VanDerWaalsContact C-N 3.29Å; S125-I127 PolarHBondContact O-N 2.69Å; S125-L128 WeakPolarHBondContact O-CB 3.22Å; S125-L128 PolarHBondContact O-N 3.32Å; S125-L128 VanDerWaalsContact O-N 3.12Å; S125-D129 PolarHBondContact O-N 3Å
126F96.3Very high93.4Very high31 Ų3144 Ų4414%0.13624%0.237CC..Hα-helixtrans-56.5-44.1175.9175.7-91.5000112.2I88 V92 I102 L106 D122 T123 D129 N130I88-F126 HydrophobicContact CG2-CD2 3.97Å; I88-F126 HydrophobicContact CG2-CE2 3.56Å; I88-F126 HydrophobicContact CG2-CZ 3.96Å; V92-F126 HydrophobicContact CG2-CE2 3.77Å; V92-F126 HydrophobicContact CG2-CZ 3.7Å; I102-F126 HydrophobicContact CB-CE1 4.36Å; I102-F126 HydrophobicContact CB-CZ 4.41Å; I102-F126 HydrophobicContact CG2-CD1 4.45Å; I102-F126 HydrophobicContact CG2-CE1 3.52Å; I102-F126 HydrophobicContact CG2-CZ 3.6Å; L106-F126 HydrophobicContact CD1-CD1 3.48Å; L106-F126 VanDerWaalsContact CD1-CD1 3.48Å; L106-F126 HydrophobicContact CD1-CE1 3.9Å; L106-F126 HydrophobicContact CD1-CG 4.13Å; D122-F126 WeakPolarHBondContact O-CB 3.4Å; D122-F126 PolarHBondContact O-N 2.9Å; T123-F126 PolarHBondContact O-N 3.44Å; F126-D129 PolarHBondContact O-N 2.78Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.39Å; F126-N130 WeakPolarHBondContact O-CB 3.39Å; F126-N130 PolarHBondContact O-N 3.2Å; F126-N130 VanDerWaalsContact O-N 3.16Å; F126-N130 PolarHBondContact O-ND2 3.44Å
127I96.9Very high93.7Very high3 Ų347.7 Ų47.72%0.01525%0.25CS..Hα-helixtrans-62.8-47.4176.9-66.2164.8000110.2L107 T123 F124 S125 D129 N130 I131 V169L107-I127 HydrophobicContact CD1-CD1 4.08Å; L107-I127 HydrophobicContact CD2-CD1 3.64Å; L107-I127 HydrophobicContact CG-CD1 3.82Å; T123-I127 HydrophobicContact CG2-CD1 4.11Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.05Å; T123-I127 PolarHBondContact O-N 2.84Å; T123-I127 VanDerWaalsContact O-N 3.09Å; F124-I127 HydrophobicContact CD1-CD1 4.2Å; F124-I127 HydrophobicContact CE1-CD1 4.38Å; F124-I127 PolarHBondContact O-N 3.15Å; S125-I127 VanDerWaalsContact C-N 3.29Å; S125-I127 PolarHBondContact O-N 2.69Å; I127-D129 VanDerWaalsContact C-N 3.28Å; I127-D129 PolarHBondContact O-N 2.96Å; I127-N130 PolarHBondContact O-N 2.91Å; I127-I131 HydrophobicContact CG2-CB 4.28Å; I127-I131 HydrophobicContact CG2-CD1 3.86Å; I127-I131 WeakPolarHBondContact O-CB 3.42Å; I127-I131 WeakPolarHBondContact O-CG2 3.28Å; I127-I131 PolarHBondContact O-N 2.97Å; I127-V169 HydrophobicContact CG2-CG1 3.8Å
128L96.8Very high94.1Very high42 Ų4244.6 Ų44.622%0.2224%0.24CC..Hα-helixtrans-57.4-43-179.9-174.460.3000112F124 S125 N130 I165 K168 V169 H172F124-L128 WeakPolarHBondContact O-CB 3.36Å; F124-L128 PolarHBondContact O-N 3.47Å; S125-L128 WeakPolarHBondContact O-CB 3.22Å; S125-L128 PolarHBondContact O-N 3.32Å; S125-L128 VanDerWaalsContact O-N 3.12Å; L128-N130 VanDerWaalsContact C-N 3.35Å; L128-N130 PolarHBondContact O-N 3.32Å; L128-I165 HydrophobicContact CD2-CD1 3.94Å; L128-K168 HydrophobicContact CD2-CB 4.42Å; L128-V169 HydrophobicContact CB-CG2 3.81Å; L128-V169 HydrophobicContact CD1-CG2 4.27Å; L128-H172 HydrophobicContact CD1-CB 3.85Å
129D95.3Very high94.5Very high115 Ų11542 Ų4262%0.61522%0.223SC*.Hα-helixtrans-71-29.9-177-62.5-26.8000112.6S125 F126 I127S125-D129 PolarHBondContact O-N 3Å; F126-D129 PolarHBondContact O-N 2.78Å; I127-D129 VanDerWaalsContact C-N 3.28Å; I127-D129 PolarHBondContact O-N 2.96Å
130N95.4Very high94.6Very high36 Ų3644.9 Ų44.919%0.19323%0.234CC..Hα-helixtrans-110.3-16.3-171.5-67.4-86000114.6V99 F126 I127 L128 S132 S133V99-N130 HydrophobicContact CG1-CB 3.7Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.39Å; F126-N130 WeakPolarHBondContact O-CB 3.39Å; F126-N130 PolarHBondContact O-N 3.2Å; F126-N130 VanDerWaalsContact O-N 3.16Å; F126-N130 PolarHBondContact O-ND2 3.44Å; I127-N130 PolarHBondContact O-N 2.91Å; L128-N130 VanDerWaalsContact C-N 3.35Å; L128-N130 PolarHBondContact O-N 3.32Å; N130-S132 PolarHBondContact O-N 3.15Å; N130-S133 WeakPolarHBondContact O-CB 3.44Å; N130-S133 PolarHBondContact O-N 3.43Å; N130-S133 PolarHBondContact O-OG 3.37Å
131I95.4Very high94.7Very high0 Ų047.3 Ų47.30%025%0.247CC..G310 helixtrans-63.1-29.9-172.1-166.2152.9000113.4I127 S133 L134 V139 V142 I173 L180I127-I131 HydrophobicContact CG2-CB 4.28Å; I127-I131 HydrophobicContact CG2-CD1 3.86Å; I127-I131 WeakPolarHBondContact O-CB 3.42Å; I127-I131 WeakPolarHBondContact O-CG2 3.28Å; I127-I131 PolarHBondContact O-N 2.97Å; I131-S133 PolarHBondContact O-N 3.36Å; I131-L134 WeakPolarHBondContact O-CB 3.29Å; I131-L134 PolarHBondContact O-N 3.01Å; I131-L134 VanDerWaalsContact O-N 3.16Å; I131-V139 HydrophobicContact CD1-CG1 4.39Å; I131-V139 HydrophobicContact CG1-CG1 4.41Å; I131-V139 HydrophobicContact CG1-CG2 4.18Å; I131-V142 HydrophobicContact CD1-CG1 4.34Å; I131-I173 HydrophobicContact CD1-CD1 3.43Å; I131-I173 VanDerWaalsContact CD1-CD1 3.43Å; I131-I173 HydrophobicContact CD1-CG1 3.56Å; I131-I173 HydrophobicContact CG1-CG1 4.49Å; I131-L180 HydrophobicContact CG2-CD1 4.1Å
132S93.3Very high94.8Very high69 Ų6944.6 Ų44.648%0.48324%0.235SC..G310 helixtrans-67-15.1177.4-51.20000113.4N130 L134 H172N130-S132 PolarHBondContact O-N 3.15Å; S132-L134 VanDerWaalsContact C-N 3.34Å; S132-H172 PolarHBondContact OG-NE2 2.95Å
133S92.3Very high94.7Very high84 Ų8442.7 Ų42.759%0.58723%0.225SC*.G310 helixtrans-83.1-9.7175.6720000113.7N130 I131N130-S133 WeakPolarHBondContact O-CB 3.44Å; N130-S133 PolarHBondContact O-N 3.43Å; N130-S133 PolarHBondContact O-OG 3.37Å; I131-S133 PolarHBondContact O-N 3.36Å
134L94.7Very high94.5Very high27 Ų2745.7 Ų45.714%0.14124%0.238CC..SBendtrans-90.3149.3-176.6-63.5-179.2000111.8V99 K100 I131 S132 V139 V142V99-L134 HydrophobicContact CB-CD2 3.84Å; V99-L134 HydrophobicContact CG1-CD1 4.3Å; V99-L134 HydrophobicContact CG1-CD2 3.89Å; V99-L134 HydrophobicContact CG1-CG 4.13Å; K100-L134 HydrophobicContact CB-CD2 4.18Å; I131-L134 WeakPolarHBondContact O-CB 3.29Å; I131-L134 PolarHBondContact O-N 3.01Å; I131-L134 VanDerWaalsContact O-N 3.16Å; S132-L134 VanDerWaalsContact C-N 3.34Å; L134-V139 HydrophobicContact CB-CG2 3.8Å; L134-V142 HydrophobicContact CD1-CG2 4.13Å
135D94Very high94.2Very high81 Ų8146.9 Ų46.943%0.43324%0.244SC..  trans-71.4157.8168.179.4-33.2000111.2K137 S138 V139D135-K137 PolarHBondContact O-N 3.18Å; D135-S138 PolarHBondContact O-N 2.97Å; D135-S138 WeakPolarHBondContact OD1-CB 3.33Å; D135-S138 PolarHBondContact OD1-N 3.16Å; D135-S138 PolarHBondContact OD1-OG 3.3Å; D135-V139 WeakPolarHBondContact O-CG2 3.41Å; D135-V139 PolarHBondContact O-N 3.34Å
136Y94.6Very high93.7Very high110 Ų11046.3 Ų46.343%0.43124%0.237SC..Hα-helixtrans-57.6-28.2-175.678.7-89.9000113.5R140 L180 L181 L185Y136-R140 WeakPolarHBondContact O-CB 3.43Å; Y136-R140 PolarHBondContact O-N 2.67Å; Y136-L180 WeakPolarHBondContact CA-O 3.23Å; Y136-L180 WeakPolarHBondContact CB-O 3.36Å; Y136-L181 HydrophobicContact CD2-CD1 4.48Å; Y136-L181 WeakPolarHBondContact O-CD1 3.38Å; Y136-L185 HydrophobicContact CD2-CD1 3.96Å; Y136-L185 HydrophobicContact CE2-CD1 4.09Å
137K94Very high93Very high123 Ų12345.3 Ų45.354%0.53523%0.233SC..Hα-helixtrans-68.6-45.3176.2-68.2-179.5-179.9172.70110.7D135 R140 D141D135-K137 PolarHBondContact O-N 3.18Å; K137-R140 WeakPolarHBondContact O-CB 3.48Å; K137-R140 PolarHBondContact O-N 2.84Å; K137-D141 PolarHBondContact O-N 3.31Å
138S94.7Very high92.3Very high17 Ų1750.3 Ų50.312%0.11926%0.26CS..Hα-helixtrans-67.6-39176-58.80000111.6D135 R140 D141 V142D135-S138 PolarHBondContact O-N 2.97Å; D135-S138 WeakPolarHBondContact OD1-CB 3.33Å; D135-S138 PolarHBondContact OD1-N 3.16Å; D135-S138 PolarHBondContact OD1-OG 3.3Å; S138-R140 VanDerWaalsContact C-N 3.32Å; S138-R140 PolarHBondContact O-N 3.02Å; S138-D141 PolarHBondContact O-N 2.94Å; S138-V142 WeakPolarHBondContact O-CG2 3.36Å; S138-V142 PolarHBondContact O-N 2.87Å
139V96.4Very high91.7Very high0 Ų049.5 Ų49.50%026%0.256CS..Hα-helixtrans-58-45171.9177.10000110.6I131 L134 D135 D141 V142 F143 I173 L180 L181I131-V139 HydrophobicContact CD1-CG1 4.39Å; I131-V139 HydrophobicContact CG1-CG1 4.41Å; I131-V139 HydrophobicContact CG1-CG2 4.18Å; L134-V139 HydrophobicContact CB-CG2 3.8Å; D135-V139 WeakPolarHBondContact O-CG2 3.41Å; D135-V139 PolarHBondContact O-N 3.34Å; V139-D141 VanDerWaalsContact C-N 3.34Å; V139-D141 PolarHBondContact O-N 3.31Å; V139-V142 PolarHBondContact O-N 3.11Å; V139-F143 VanDerWaalsContact O-CB 3.23Å; V139-F143 WeakPolarHBondContact O-CB 3.39Å; V139-F143 PolarHBondContact O-N 3.14Å; V139-I173 HydrophobicContact CG1-CG2 4.03Å; V139-L180 HydrophobicContact CG1-CB 4.26Å; V139-L180 HydrophobicContact CG2-CB 4.49Å; V139-L181 HydrophobicContact CG1-CB 4.03Å
140R94.2Very high91Very high61 Ų6149.7 Ų49.723%0.2326%0.264CS..Hα-helixtrans-59.3-43.1175.5-171.5-175177.71794.3112.2Y136 K137 S138 F143 K144 L181 E189Y136-R140 WeakPolarHBondContact O-CB 3.43Å; Y136-R140 PolarHBondContact O-N 2.67Å; K137-R140 WeakPolarHBondContact O-CB 3.48Å; K137-R140 PolarHBondContact O-N 2.84Å; S138-R140 VanDerWaalsContact C-N 3.32Å; S138-R140 PolarHBondContact O-N 3.02Å; R140-F143 PolarHBondContact O-N 3.08Å; R140-K144 VanDerWaalsContact O-CG 3.32Å; R140-K144 WeakPolarHBondContact O-CG 3.35Å; R140-K144 PolarHBondContact O-N 3.08Å; R140-L181 HydrophobicContact CB-CD1 3.73Å; R140-L181 HydrophobicContact CB-CD2 4.32Å; R140-L181 HydrophobicContact CG-CD1 4.32Å; R140-E189 HydrophobicContact CG-CG 4.08Å; R140-E189 IonicContact CZ-OE1 3.79Å; R140-E189 IonicContact NE-OE1 3.58Å; R140-E189 PolarHBondContact NE-OE1 3.26Å; R140-E189 IonicContact NH2-OE1 2.78Å; R140-E189 PolarHBondContact NH2-OE1 3.19Å
141D92.8Very high90.4Very high56 Ų5649.7 Ų49.730%0.29926%0.263SS..Hα-helixtrans-67.2-39.3-179.6-71.8-18.8000112.1K100 K137 S138 V139 K144 I145K100-D141 WeakPolarHBondContact CE-OD2 3.34Å; K100-D141 IonicContact NZ-OD2 3.8Å; K100-D141 PolarHBondContact NZ-OD2 2.66Å; K137-D141 PolarHBondContact O-N 3.31Å; S138-D141 PolarHBondContact O-N 2.94Å; V139-D141 VanDerWaalsContact C-N 3.34Å; V139-D141 PolarHBondContact O-N 3.31Å; D141-K144 IonicContact OD1-NZ 3.03Å; D141-K144 PolarHBondContact OD1-NZ 3.13Å; D141-I145 WeakPolarHBondContact O-CG1 3.49Å
142V93.9Very high89.7Confident4 Ų452.4 Ų52.42%0.02428%0.281CS..Hα-helixtrans-65.5-45.4172.7173.20000110.5C103 L107 I131 L134 S138 V139 K144 I145 F146C103-V142 HydrophobicContact CB-CG1 4.29Å; C103-V142 HydrophobicContact CB-CG2 3.8Å; L107-V142 HydrophobicContact CD1-CG1 3.76Å; I131-V142 HydrophobicContact CD1-CG1 4.34Å; L134-V142 HydrophobicContact CD1-CG2 4.13Å; S138-V142 WeakPolarHBondContact O-CG2 3.36Å; S138-V142 PolarHBondContact O-N 2.87Å; V139-V142 PolarHBondContact O-N 3.11Å; V142-K144 PolarHBondContact O-N 2.87Å; V142-I145 PolarHBondContact O-N 2.86Å; V142-F146 PolarHBondContact O-N 3.15Å; V142-F146 VanDerWaalsContact O-N 3.13Å
143F91.7Very high89Confident1 Ų153.5 Ų53.50%0.00428%0.284CS..Hα-helixtrans-60.6-40.8179.7-175.3-111.7000112.3V139 R140 I145 F146 V147 I173 L181 I186 E189 M190V139-F143 VanDerWaalsContact O-CB 3.23Å; V139-F143 WeakPolarHBondContact O-CB 3.39Å; V139-F143 PolarHBondContact O-N 3.14Å; R140-F143 PolarHBondContact O-N 3.08Å; F143-I145 PolarHBondContact O-N 2.96Å; F143-F146 HydrophobicContact CD2-CD1 4.3Å; F143-F146 HydrophobicContact CE2-CD1 4.33Å; F143-F146 WeakPolarHBondContact O-CB 3.42Å; F143-F146 PolarHBondContact O-N 3.31Å; F143-V147 HydrophobicContact CD1-CG2 3.94Å; F143-V147 HydrophobicContact CD2-CG2 4.09Å; F143-V147 HydrophobicContact CE1-CG2 3.56Å; F143-V147 HydrophobicContact CE2-CG2 3.72Å; F143-V147 HydrophobicContact CG-CG2 4.2Å; F143-V147 HydrophobicContact CZ-CG2 3.42Å; F143-V147 VanDerWaalsContact CZ-CG2 3.42Å; F143-V147 VanDerWaalsContact O-CG2 3.25Å; F143-V147 WeakPolarHBondContact O-CG2 3.45Å; F143-V147 PolarHBondContact O-N 2.99Å; F143-I173 HydrophobicContact CD2-CD1 3.95Å; F143-I173 HydrophobicContact CD2-CG2 3.92Å; F143-I173 HydrophobicContact CE2-CG2 4.37Å; F143-I173 HydrophobicContact CG-CG2 4.34Å; F143-L181 HydrophobicContact CB-CD2 4.47Å; F143-L181 HydrophobicContact CD1-CD2 4.22Å; F143-L181 HydrophobicContact CG-CD2 4.46Å; F143-I186 HydrophobicContact CE1-CG2 4Å; F143-I186 HydrophobicContact CZ-CG2 3.99Å; F143-E189 HydrophobicContact CD1-CB 4.25Å; F143-E189 HydrophobicContact CE1-CB 4.27Å; F143-M190 HydrophobicContact CE1-CG 4.31Å; F143-M190 HydrophobicContact CZ-CE 3.83Å; F143-M190 HydrophobicContact CZ-CG 4.24Å
144K90.1Very high88.6Confident63 Ų6357.4 Ų57.427%0.27429%0.293SS..Hα-helixtrans-55.1-48.7174.5-76.7169.8-172.8160.70112.6R140 D141 V142 F146 V147 D148 E189R140-K144 VanDerWaalsContact O-CG 3.32Å; R140-K144 WeakPolarHBondContact O-CG 3.35Å; R140-K144 PolarHBondContact O-N 3.08Å; D141-K144 IonicContact OD1-NZ 3.03Å; D141-K144 PolarHBondContact OD1-NZ 3.13Å; V142-K144 PolarHBondContact O-N 2.87Å; K144-F146 VanDerWaalsContact C-N 3.27Å; K144-F146 PolarHBondContact O-N 3.45Å; K144-V147 PolarHBondContact O-N 3.49Å; K144-D148 PolarHBondContact O-N 3.46Å; K144-E189 VanDerWaalsContact CE-CD 3.42Å; K144-E189 WeakPolarHBondContact CE-OE2 3.28Å; K144-E189 HydrophobicContact CG-CG 3.97Å; K144-E189 VanDerWaalsContact CG-OE2 3.31Å; K144-E189 WeakPolarHBondContact CG-OE2 3.38Å
145I89.4Confident88Confident27 Ų2756.9 Ų56.914%0.13829%0.29CS..Hα-helixtrans-63.1-40.7-179.2-57.1168.2000109.9L107 R108 D141 V142 F143 D148L107-I145 HydrophobicContact CB-CB 4.39Å; L107-I145 HydrophobicContact CB-CG2 3.58Å; L107-I145 HydrophobicContact CD1-CB 4.2Å; L107-I145 HydrophobicContact CD1-CG2 4.28Å; R108-I145 HydrophobicContact CG-CG2 4.17Å; D141-I145 WeakPolarHBondContact O-CG1 3.49Å; V142-I145 PolarHBondContact O-N 2.86Å; F143-I145 PolarHBondContact O-N 2.96Å; I145-D148 PolarHBondContact O-N 2.76Å
146F84.9Confident87.7Confident22 Ų2259.3 Ų59.310%0.09630%0.299CS..Hα-helixtrans-63.7-45.6179171.5-107.1000113.2F124 V142 F143 K144 D148 L149 T170F124-F146 HydrophobicContact CD1-CE2 4.36Å; F124-F146 AromaticContact CE1-CD2 3.32Å; F124-F146 HydrophobicContact CE1-CD2 3.32Å; F124-F146 AromaticContact CE1-CE2 3.29Å; F124-F146 HydrophobicContact CE1-CE2 3.29Å; F124-F146 HydrophobicContact CE1-CG 4.47Å; F124-F146 HydrophobicContact CE1-CZ 4.44Å; F124-F146 AromaticContact CZ-CD2 3.6Å; F124-F146 HydrophobicContact CZ-CD2 3.6Å; F124-F146 AromaticContact CZ-CE2 3.53Å; F124-F146 HydrophobicContact CZ-CE2 3.53Å; V142-F146 PolarHBondContact O-N 3.15Å; V142-F146 VanDerWaalsContact O-N 3.13Å; F143-F146 HydrophobicContact CD2-CD1 4.3Å; F143-F146 HydrophobicContact CE2-CD1 4.33Å; F143-F146 WeakPolarHBondContact O-CB 3.42Å; F143-F146 PolarHBondContact O-N 3.31Å; K144-F146 VanDerWaalsContact C-N 3.27Å; K144-F146 PolarHBondContact O-N 3.45Å; F146-D148 PolarHBondContact O-N 3.39Å; F146-L149 HydrophobicContact CD2-CD1 3.84Å; F146-L149 HydrophobicContact CE2-CD1 4.42Å; F146-L149 WeakPolarHBondContact O-CB 3.24Å; F146-L149 PolarHBondContact O-N 3.18Å; F146-L149 VanDerWaalsContact O-N 3.15Å; F146-T170 HydrophobicContact CE1-CG2 4.26Å; F146-T170 WeakPolarHBondContact CE1-OG1 3.39Å; F146-T170 WeakPolarHBondContact CZ-OG1 3.32Å
147V82Confident87Confident10 Ų1059 Ų596%0.06131%0.313CS..Hα-helixtrans-62.8-28.8-178.71740000111.8F143 K144 F194F143-V147 HydrophobicContact CD1-CG2 3.94Å; F143-V147 HydrophobicContact CD2-CG2 4.09Å; F143-V147 HydrophobicContact CE1-CG2 3.56Å; F143-V147 HydrophobicContact CE2-CG2 3.72Å; F143-V147 HydrophobicContact CG-CG2 4.2Å; F143-V147 HydrophobicContact CZ-CG2 3.42Å; F143-V147 VanDerWaalsContact CZ-CG2 3.42Å; F143-V147 VanDerWaalsContact O-CG2 3.25Å; F143-V147 WeakPolarHBondContact O-CG2 3.45Å; F143-V147 PolarHBondContact O-N 2.99Å; K144-V147 PolarHBondContact O-N 3.49Å; V147-F194 HydrophobicContact CG1-CE1 4.2Å; V147-F194 HydrophobicContact CG1-CE2 3.57Å; V147-F194 HydrophobicContact CG1-CZ 3.32Å
148D81.7Confident86.4Confident108 Ų10857 Ų5758%0.57831%0.308SS*.THydrogen-bonded Turntrans-87.21179.4-68.3-15.1000114K144 I145 F146 S193K144-D148 PolarHBondContact O-N 3.46Å; I145-D148 PolarHBondContact O-N 2.76Å; F146-D148 PolarHBondContact O-N 3.39Å; D148-S193 WeakPolarHBondContact OD1-CB 3.37Å; D148-S193 PolarHBondContact OD1-OG 3.13Å
149L85.7Confident85.9Confident26 Ų2656.9 Ų56.914%0.13631%0.305CS..  trans-66.5133.6-179.5-75.4173.7000112.2L107 L112 W120 F124 F146 I151L107-L149 HydrophobicContact CD2-CD1 4.16Å; L112-L149 HydrophobicContact CD2-CD1 4.34Å; L112-L149 HydrophobicContact CD2-CD2 4.27Å; W120-L149 HydrophobicContact CH2-CD1 4.26Å; F124-L149 HydrophobicContact CZ-CD1 3.81Å; F146-L149 HydrophobicContact CD2-CD1 3.84Å; F146-L149 HydrophobicContact CE2-CD1 4.42Å; F146-L149 WeakPolarHBondContact O-CB 3.24Å; F146-L149 PolarHBondContact O-N 3.18Å; F146-L149 VanDerWaalsContact O-N 3.15Å; L149-I151 PolarHBondContact O-N 3.42Å; L149-I151 VanDerWaalsContact O-N 3.1Å
150P79.9Confident85.4Confident119 Ų11962.8 Ų62.877%0.77333%0.328SS*.  trans-76.8100.1179.630.3-33.7000111.3
151I82.5Confident85Confident35 Ų3565.5 Ų65.518%0.17934%0.341CS..  trans-102.8126175.5-59170.4000109.5W120 L149 L155 L163W120-I151 HydrophobicContact CH2-CG1 4.3Å; L149-I151 PolarHBondContact O-N 3.42Å; L149-I151 VanDerWaalsContact O-N 3.1Å; I151-L155 HydrophobicContact CG2-CD2 4.29Å; I151-L163 HydrophobicContact CD1-CD2 3.85Å; I151-L163 HydrophobicContact CG1-CD2 4.34Å; I151-L163 HydrophobicContact CG2-CD1 3.82Å; I151-L163 HydrophobicContact CG2-CD2 4.1Å
152P81.3Confident84.7Confident57 Ų5762.8 Ų62.837%0.3733%0.327SS..  trans-60136.2175.8-22.532.9000112.3H154 L155 H202P152-H154 VanDerWaalsContact C-N 3.32Å; P152-H154 PolarHBondContact O-N 3.09Å; P152-L155 WeakPolarHBondContact O-CD2 3.41Å; P152-H202 PolarHBondContact O-CD2 3.29Å; P152-H202 PolarHBondContact O-NE2 3.42Å; P152-H202 VanDerWaalsContact O-NE2 3.17Å
153V79Confident84.5Confident92 Ų9262.8 Ų62.856%0.55833%0.327SS*.SBendtrans-63-39.1178.2178.80000111.8W203V153-W203 PolarHBondContact O-NE1 2.9Å
154H82.3Confident84.4Confident167 Ų16767.1 Ų67.177%0.77335%0.347SS*.SBendtrans-99.3116.8177.1-64.2-64.4000109.9P152P152-H154 VanDerWaalsContact C-N 3.32Å; P152-H154 PolarHBondContact O-N 3.09Å
155L83.8Confident84.5Confident15 Ų1564.8 Ų64.88%0.07934%0.337CS..  trans-108.7130.8-176.7-60.8166.5000111.6V114 I151 P152 Q159 R160 L163 H202 W203V114-L155 HydrophobicContact CG1-CD2 4.48Å; I151-L155 HydrophobicContact CG2-CD2 4.29Å; P152-L155 WeakPolarHBondContact O-CD2 3.41Å; L155-Q159 HydrophobicContact CB-CB 4.27Å; L155-Q159 HydrophobicContact CD2-CB 3.98Å; L155-R160 HydrophobicContact CB-CG 3.65Å; L155-R160 HydrophobicContact CD1-CG 4.11Å; L155-R160 PolarHBondContact O-NE 2.73Å; L155-L163 HydrophobicContact CD1-CD1 3.31Å; L155-L163 HydrophobicContact CD2-CD1 3.59Å; L155-L163 HydrophobicContact CG-CD1 4.08Å; L155-H202 WeakPolarHBondContact CD1-CE1 3.31Å; L155-W203 HydrophobicContact CD1-CZ2 4.12Å
156Q86.1Confident84.5Confident132 Ų13263.7 Ų63.762%0.61733%0.332SS*.  trans-69.6164164.8-61.1-175600111D158 Q159 R160Q156-D158 VanDerWaalsContact C-N 3.32Å; Q156-D158 WeakPolarHBondContact CB-OD1 3.37Å; Q156-D158 PolarHBondContact O-N 3.07Å; Q156-Q159 HydrophobicContact CB-CG 4.2Å; Q156-Q159 PolarHBondContact O-N 2.79Å; Q156-R160 WeakPolarHBondContact O-CG 3.41Å; Q156-R160 PolarHBondContact O-N 3.28Å
157S81.5Confident84.7Confident103 Ų10365 Ų6572%0.7234%0.338SS*.Hα-helixtrans-60.4-37.6-173.2-58.80000113.7K161S157-K161 PolarHBondContact O-N 3.45Å
158D79.9Confident85.2Confident82 Ų8270.6 Ų70.644%0.43936%0.362SS..Hα-helixtrans-69.4-44175.261.7-33.7000112.2Q156 R160 K161 A162Q156-D158 VanDerWaalsContact C-N 3.32Å; Q156-D158 WeakPolarHBondContact CB-OD1 3.37Å; Q156-D158 PolarHBondContact O-N 3.07Å; D158-R160 VanDerWaalsContact C-N 3.28Å; D158-R160 PolarHBondContact O-N 3.11Å; D158-K161 WeakPolarHBondContact O-CB 3.18Å; D158-K161 PolarHBondContact O-N 2.78Å; D158-K161 VanDerWaalsContact O-N 3.12Å; D158-A162 PolarHBondContact O-N 2.91Å
159Q85.6Confident85.7Confident14 Ų1465.6 Ų65.67%0.06534%0.335CS..Hα-helixtrans-62.3-35.8175.1-63.5177.9-31.800111.9V114 N115 L155 Q156 A162 L163V114-Q159 HydrophobicContact CG1-CB 3.65Å; V114-Q159 HydrophobicContact CG1-CG 3.92Å; N115-Q159 PolarHBondContact OD1-NE2 2.77Å; L155-Q159 HydrophobicContact CB-CB 4.27Å; L155-Q159 HydrophobicContact CD2-CB 3.98Å; Q156-Q159 HydrophobicContact CB-CG 4.2Å; Q156-Q159 PolarHBondContact O-N 2.79Å; Q159-A162 PolarHBondContact O-N 3.45Å; Q159-L163 PolarHBondContact O-N 2.92Å
160R84.5Confident85.9Confident124 Ų12464.5 Ų64.547%0.46833%0.33SS..Hα-helixtrans-61.4-45.6172.6-72.6178.7-168.2-165.1-0.2110.9L155 Q156 D158 A162 L163 R204L155-R160 HydrophobicContact CB-CG 3.65Å; L155-R160 HydrophobicContact CD1-CG 4.11Å; L155-R160 PolarHBondContact O-NE 2.73Å; Q156-R160 WeakPolarHBondContact O-CG 3.41Å; Q156-R160 PolarHBondContact O-N 3.28Å; D158-R160 VanDerWaalsContact C-N 3.28Å; D158-R160 PolarHBondContact O-N 3.11Å; R160-A162 VanDerWaalsContact C-N 3.3Å; R160-A162 PolarHBondContact O-N 3.06Å; R160-L163 PolarHBondContact O-N 2.67Å; R160-R204 VanDerWaalsContact C-NH1 3.35Å; R160-R204 PolarHBondContact O-NH1 3.48Å
161K86.7Confident86.4Confident118 Ų11860.9 Ų60.951%0.51331%0.31SS..Hα-helixtrans-63.3-39178.4-163.6-177.6177.6178.40111.7Y117 S157 D158 L163 E164Y117-K161 HydrophobicContact CE2-CB 4.2Å; Y117-K161 HydrophobicContact CE2-CD 4.04Å; Y117-K161 HydrophobicContact CE2-CG 3.89Å; S157-K161 PolarHBondContact O-N 3.45Å; D158-K161 WeakPolarHBondContact O-CB 3.18Å; D158-K161 PolarHBondContact O-N 2.78Å; D158-K161 VanDerWaalsContact O-N 3.12Å; K161-L163 VanDerWaalsContact C-N 3.27Å; K161-L163 PolarHBondContact O-N 2.95Å; K161-E164 PolarHBondContact O-N 3.38Å
162A86.8Confident86.9Confident0 Ų061.5 Ų61.50%031%0.312CS..Hα-helixtrans-58.4-38.3177.200000112.5V114 Y117 W120 D158 Q159 R160 E164 I165V114-A162 HydrophobicContact CG1-CB 4.49Å; Y117-A162 HydrophobicContact CD2-CB 3.89Å; W120-A162 HydrophobicContact CG-CB 4.29Å; W120-A162 PolarHBondContact NE1-O 3.14Å; W120-A162 VanDerWaalsContact NE1-O 3.17Å; D158-A162 PolarHBondContact O-N 2.91Å; Q159-A162 PolarHBondContact O-N 3.45Å; R160-A162 VanDerWaalsContact C-N 3.3Å; R160-A162 PolarHBondContact O-N 3.06Å; A162-E164 VanDerWaalsContact C-N 3.32Å; A162-E164 PolarHBondContact O-N 3.44Å; A162-I165 WeakPolarHBondContact O-CG2 3.31Å
163L88.5Confident87.5Confident4 Ų458.9 Ų58.92%0.02130%0.295CS..Hα-helixtrans-74.8-14.5-175.6-74.2169.5000115.3V114 W120 I151 L155 Q159 R160 K161 I165 S166 E167V114-L163 HydrophobicContact CG1-CG 4.46Å; W120-L163 HydrophobicContact CH2-CD2 4.48Å; W120-L163 HydrophobicContact CZ2-CD2 3.57Å; I151-L163 HydrophobicContact CD1-CD2 3.85Å; I151-L163 HydrophobicContact CG1-CD2 4.34Å; I151-L163 HydrophobicContact CG2-CD1 3.82Å; I151-L163 HydrophobicContact CG2-CD2 4.1Å; L155-L163 HydrophobicContact CD1-CD1 3.31Å; L155-L163 HydrophobicContact CD2-CD1 3.59Å; L155-L163 HydrophobicContact CG-CD1 4.08Å; Q159-L163 PolarHBondContact O-N 2.92Å; R160-L163 PolarHBondContact O-N 2.67Å; K161-L163 VanDerWaalsContact C-N 3.27Å; K161-L163 PolarHBondContact O-N 2.95Å; L163-I165 VanDerWaalsContact C-N 3.25Å; L163-I165 PolarHBondContact O-N 2.87Å; L163-S166 WeakPolarHBondContact CA-OG 3.29Å; L163-S166 WeakPolarHBondContact CD2-OG 3.16Å; L163-S166 PolarHBondContact O-N 3.5Å; L163-S166 VanDerWaalsContact O-N 3.14Å; L163-S166 PolarHBondContact O-OG 3.04Å; L163-E167 WeakPolarHBondContact O-CG 3.38Å; L163-E167 PolarHBondContact O-N 3.13Å
164E90.5Very high88Confident91 Ų9154.9 Ų54.943%0.42527%0.271SS..Hα-helixtrans-58.3-36.9-179-70.1173.9-17200112.6K161 A162 K168K161-E164 PolarHBondContact O-N 3.38Å; A162-E164 VanDerWaalsContact C-N 3.32Å; A162-E164 PolarHBondContact O-N 3.44Å; E164-K168 WeakPolarHBondContact O-CG 3.01Å; E164-K168 PolarHBondContact O-N 3.38Å; E164-K168 VanDerWaalsContact O-N 3.16Å
165I91.7Very high88.3Confident15 Ų1548.4 Ų48.48%0.07724%0.244CC..Hα-helixtrans-73.4-35.9179-169.264.7000112F124 L128 A162 L163 E167 K168 V169F124-I165 HydrophobicContact CB-CB 4.13Å; F124-I165 HydrophobicContact CB-CG1 3.68Å; F124-I165 HydrophobicContact CB-CG2 3.48Å; F124-I165 VanDerWaalsContact CB-CG2 3.48Å; F124-I165 HydrophobicContact CD2-CG2 4.42Å; F124-I165 HydrophobicContact CG-CG2 4.23Å; L128-I165 HydrophobicContact CD2-CD1 3.94Å; A162-I165 WeakPolarHBondContact O-CG2 3.31Å; L163-I165 VanDerWaalsContact C-N 3.25Å; L163-I165 PolarHBondContact O-N 2.87Å; I165-E167 VanDerWaalsContact C-N 3.32Å; I165-E167 PolarHBondContact O-N 3.49Å; I165-K168 HydrophobicContact CD1-CD 4.29Å; I165-K168 WeakPolarHBondContact O-CB 3.41Å; I165-K168 PolarHBondContact O-N 3.12Å; I165-V169 VanDerWaalsContact O-CG2 3.27Å; I165-V169 WeakPolarHBondContact O-CG2 3.5Å; I165-V169 PolarHBondContact O-N 2.88Å
166S89.1Confident88.3Confident4 Ų453.6 Ų53.63%0.02826%0.263CS..Hα-helixtrans-68.1-33.6175.643.60000111.7L163 V169 T170L163-S166 WeakPolarHBondContact CA-OG 3.29Å; L163-S166 WeakPolarHBondContact CD2-OG 3.16Å; L163-S166 PolarHBondContact O-N 3.5Å; L163-S166 VanDerWaalsContact O-N 3.14Å; L163-S166 PolarHBondContact O-OG 3.04Å; S166-V169 PolarHBondContact O-N 3.19Å; S166-T170 WeakPolarHBondContact O-CB 3.32Å; S166-T170 PolarHBondContact O-N 3.21Å; S166-T170 PolarHBondContact O-OG1 3.21Å
167E89Confident88.3Confident49 Ų4956 Ų5623%0.22927%0.274CS..Hα-helixtrans-61.9-46.4170.4-69.6176.5146.300111.4L163 I165 V169 T170 A171 R204 V205L163-E167 WeakPolarHBondContact O-CG 3.38Å; L163-E167 PolarHBondContact O-N 3.13Å; I165-E167 VanDerWaalsContact C-N 3.32Å; I165-E167 PolarHBondContact O-N 3.49Å; E167-V169 VanDerWaalsContact C-N 3.34Å; E167-V169 PolarHBondContact O-N 3.18Å; E167-T170 WeakPolarHBondContact O-CB 3.36Å; E167-T170 PolarHBondContact O-N 3.22Å; E167-T170 VanDerWaalsContact O-N 3.16Å; E167-A171 WeakPolarHBondContact O-CB 3.49Å; E167-A171 PolarHBondContact O-N 3.5Å; E167-R204 VanDerWaalsContact CD-NE 3.29Å; E167-R204 VanDerWaalsContact CD-NH2 3.29Å; E167-R204 HydrophobicContact CG-CB 4.5Å; E167-R204 VanDerWaalsContact OE1-CB 3.22Å; E167-R204 WeakPolarHBondContact OE1-CB 3.4Å; E167-R204 IonicContact OE1-CZ 3.24Å; E167-R204 IonicContact OE1-NE 3.36Å; E167-R204 PolarHBondContact OE1-NE 3.39Å; E167-R204 IonicContact OE1-NH2 3.89Å; E167-R204 PolarHBondContact OE1-NH2 3.28Å; E167-R204 IonicContact OE2-CZ 2.72Å; E167-R204 IonicContact OE2-NE 3.55Å; E167-R204 IonicContact OE2-NH2 3.32Å; E167-R204 PolarHBondContact OE2-NH2 3.25Å; E167-V205 HydrophobicContact CG-CG1 4.32Å
168K92.4Very high88.8Confident128 Ų12854.3 Ų54.356%0.55726%0.257SS*.Hα-helixtrans-58.8-44.8176.9-72.5176.4-178.3179.30111.9L128 E164 I165 T170 A171 H172L128-K168 HydrophobicContact CD2-CB 4.42Å; E164-K168 WeakPolarHBondContact O-CG 3.01Å; E164-K168 PolarHBondContact O-N 3.38Å; E164-K168 VanDerWaalsContact O-N 3.16Å; I165-K168 HydrophobicContact CD1-CD 4.29Å; I165-K168 WeakPolarHBondContact O-CB 3.41Å; I165-K168 PolarHBondContact O-N 3.12Å; K168-T170 VanDerWaalsContact C-N 3.33Å; K168-T170 PolarHBondContact O-N 3.42Å; K168-A171 PolarHBondContact O-N 2.8Å; K168-H172 VanDerWaalsContact O-CB 3.27Å; K168-H172 WeakPolarHBondContact O-CB 3.43Å; K168-H172 PolarHBondContact O-N 3.44Å
169V93.2Very high89.2Confident2 Ų256 Ų561%0.01227%0.266CS..Hα-helixtrans-61.4-43.4176.1175.40000110.7F124 I127 L128 I165 S166 E167 H172 I173F124-V169 HydrophobicContact CB-CG2 4.22Å; F124-V169 HydrophobicContact CD1-CB 4.39Å; F124-V169 HydrophobicContact CD1-CG2 4.09Å; F124-V169 VanDerWaalsContact O-CG2 3.32Å; F124-V169 WeakPolarHBondContact O-CG2 3.29Å; I127-V169 HydrophobicContact CG2-CG1 3.8Å; L128-V169 HydrophobicContact CB-CG2 3.81Å; L128-V169 HydrophobicContact CD1-CG2 4.27Å; I165-V169 VanDerWaalsContact O-CG2 3.27Å; I165-V169 WeakPolarHBondContact O-CG2 3.5Å; I165-V169 PolarHBondContact O-N 2.88Å; S166-V169 PolarHBondContact O-N 3.19Å; E167-V169 VanDerWaalsContact C-N 3.34Å; E167-V169 PolarHBondContact O-N 3.18Å; V169-H172 PolarHBondContact O-N 3.03Å; V169-I173 HydrophobicContact CG1-CD1 3.91Å; V169-I173 VanDerWaalsContact O-CG1 3.31Å; V169-I173 WeakPolarHBondContact O-CG1 3.46Å; V169-I173 PolarHBondContact O-N 3.48Å
170T89.5Confident89.7Confident4 Ų456.3 Ų56.33%0.02527%0.268CS..Hα-helixtrans-62.1-49177.5-49.30000111.2F146 S166 E167 K168 H172 I173 C174 V205 L208F146-T170 HydrophobicContact CE1-CG2 4.26Å; F146-T170 WeakPolarHBondContact CE1-OG1 3.39Å; F146-T170 WeakPolarHBondContact CZ-OG1 3.32Å; S166-T170 WeakPolarHBondContact O-CB 3.32Å; S166-T170 PolarHBondContact O-N 3.21Å; S166-T170 PolarHBondContact O-OG1 3.21Å; E167-T170 WeakPolarHBondContact O-CB 3.36Å; E167-T170 PolarHBondContact O-N 3.22Å; E167-T170 VanDerWaalsContact O-N 3.16Å; K168-T170 VanDerWaalsContact C-N 3.33Å; K168-T170 PolarHBondContact O-N 3.42Å; T170-H172 VanDerWaalsContact C-N 3.27Å; T170-H172 PolarHBondContact O-N 2.84Å; T170-I173 PolarHBondContact O-N 3.02Å; T170-C174 VanDerWaalsContact O-CB 3.25Å; T170-C174 WeakPolarHBondContact O-CB 3.44Å; T170-C174 PolarHBondContact O-N 2.97Å; T170-C174 PolarHBondContact O-SG 3.47Å; T170-V205 HydrophobicContact CG2-CG1 4.26Å; T170-L208 HydrophobicContact CG2-CD2 3.7Å
171A90.4Very high90.1Very high43 Ų4350.7 Ų50.736%0.35525%0.247SC..Hα-helixtrans-60.5-39177.300000111.6E167 K168 C174 S175 L208E167-A171 WeakPolarHBondContact O-CB 3.49Å; E167-A171 PolarHBondContact O-N 3.5Å; K168-A171 PolarHBondContact O-N 2.8Å; A171-C174 PolarHBondContact O-N 3.34Å; A171-S175 WeakPolarHBondContact O-CB 3.44Å; A171-S175 PolarHBondContact O-N 3.2Å; A171-L208 HydrophobicContact CB-CD2 4.21Å
172H94.2Very high90.3Very high47 Ų4747 Ų4722%0.21824%0.235CC..Hα-helixtrans-65.1-44.4178.2-167.267000112.4L128 S132 K168 V169 T170 N178 L180L128-H172 HydrophobicContact CD1-CB 3.85Å; S132-H172 PolarHBondContact OG-NE2 2.95Å; K168-H172 VanDerWaalsContact O-CB 3.27Å; K168-H172 WeakPolarHBondContact O-CB 3.43Å; K168-H172 PolarHBondContact O-N 3.44Å; V169-H172 PolarHBondContact O-N 3.03Å; T170-H172 VanDerWaalsContact C-N 3.27Å; T170-H172 PolarHBondContact O-N 2.84Å; H172-N178 PolarHBondContact CE1-ND2 3.29Å; H172-N178 VanDerWaalsContact CE1-ND2 3.31Å; H172-N178 PolarHBondContact ND1-ND2 3.45Å; H172-N178 PolarHBondContact O-ND2 3.47Å; H172-L180 VanDerWaalsContact CD2-CD1 3.49Å; H172-L180 WeakPolarHBondContact CD2-CD1 3.38Å
173I92.8Very high90.2Very high2 Ų247.9 Ų47.91%0.0124%0.242CC..Hα-helixtrans-67.5-42.7175.9-64.6167.2000111.2I131 V139 F143 V169 T170 S175 L181I131-I173 HydrophobicContact CD1-CD1 3.43Å; I131-I173 VanDerWaalsContact CD1-CD1 3.43Å; I131-I173 HydrophobicContact CD1-CG1 3.56Å; I131-I173 HydrophobicContact CG1-CG1 4.49Å; V139-I173 HydrophobicContact CG1-CG2 4.03Å; F143-I173 HydrophobicContact CD2-CD1 3.95Å; F143-I173 HydrophobicContact CD2-CG2 3.92Å; F143-I173 HydrophobicContact CE2-CG2 4.37Å; F143-I173 HydrophobicContact CG-CG2 4.34Å; V169-I173 HydrophobicContact CG1-CD1 3.91Å; V169-I173 VanDerWaalsContact O-CG1 3.31Å; V169-I173 WeakPolarHBondContact O-CG1 3.46Å; V169-I173 PolarHBondContact O-N 3.48Å; T170-I173 PolarHBondContact O-N 3.02Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 3.25Å; I173-L181 HydrophobicContact CG2-CB 4.37Å; I173-L181 HydrophobicContact CG2-CD2 4.43Å
174C89Confident90Very high8 Ų853.2 Ų53.25%0.05426%0.263CS..Hα-helixtrans-78.5-12.6-175.8-68.80000114T170 A171 R176 L208T170-C174 VanDerWaalsContact O-CB 3.25Å; T170-C174 WeakPolarHBondContact O-CB 3.44Å; T170-C174 PolarHBondContact O-N 2.97Å; T170-C174 PolarHBondContact O-SG 3.47Å; A171-C174 PolarHBondContact O-N 3.34Å; C174-R176 PolarHBondContact O-N 2.93Å; C174-L208 HydrophobicContact CB-CD1 4.42Å; C174-L208 HydrophobicContact CB-CD2 4.11Å; C174-L208 HydrophobicContact CB-CG 4.38Å
175S88.9Confident89.9Confident31 Ų3149.2 Ų49.222%0.21725%0.245CC..  trans-65123.3179.2173.60000111.2A171 I173 E177 N178 N179A171-S175 WeakPolarHBondContact O-CB 3.44Å; A171-S175 PolarHBondContact O-N 3.2Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 3.25Å; S175-E177 PolarHBondContact O-N 2.91Å; S175-E177 PolarHBondContact OG-N 3.36Å; S175-N178 WeakPolarHBondContact CB-ND2 3.43Å; S175-N178 PolarHBondContact O-N 3.35Å; S175-N178 PolarHBondContact OG-N 3.21Å; S175-N179 PolarHBondContact O-N 3.09Å; S175-N179 VanDerWaalsContact O-N 3.16Å
176R83.8Confident89.7Confident124 Ų12448.6 Ų48.647%0.46824%0.241SC..THydrogen-bonded Turntrans-66.1-27173.5-65.2-178.4-178.9-176.10.7112.1C174 S215C174-R176 PolarHBondContact O-N 2.93Å; R176-S215 PolarHBondContact NH2-OG 3.1Å
177E87.4Confident89.5Confident183 Ų18348.4 Ų48.486%0.85524%0.24SC*.THydrogen-bonded Turntrans-72.9-38.6178.8-59.6-175.2164.600111.3S175 N179S175-E177 PolarHBondContact O-N 2.91Å; S175-E177 PolarHBondContact OG-N 3.36Å; E177-N179 VanDerWaalsContact C-N 3.34Å
178N91.2Very high89.2Confident67 Ų6747 Ų4736%0.35824%0.235SC..THydrogen-bonded Turntrans-74.3-28.1176.7-63.7-23.8000112.4H172 S175 L180H172-N178 PolarHBondContact CE1-ND2 3.29Å; H172-N178 VanDerWaalsContact CE1-ND2 3.31Å; H172-N178 PolarHBondContact ND1-ND2 3.45Å; H172-N178 PolarHBondContact O-ND2 3.47Å; S175-N178 WeakPolarHBondContact CB-ND2 3.43Å; S175-N178 PolarHBondContact O-N 3.35Å; S175-N178 PolarHBondContact OG-N 3.21Å; N178-L180 HydrophobicContact CB-CG 4.12Å; N178-L180 PolarHBondContact O-N 2.67Å; N178-L180 VanDerWaalsContact O-N 3.1Å
179N89.3Confident88.8Confident117 Ų11741.4 Ų41.463%0.62621%0.211SC*.THydrogen-bonded Turntrans51.934.3175-166.336000114.7S175 E177 L181S175-N179 PolarHBondContact O-N 3.09Å; S175-N179 VanDerWaalsContact O-N 3.16Å; E177-N179 VanDerWaalsContact C-N 3.34Å; N179-L181 VanDerWaalsContact C-N 3.33Å
180L94.3Very high88.1Confident22 Ų2241.9 Ų41.912%0.11521%0.213CC..SBendtrans-71.1-30.4179.5-61-177.6000112.4I131 Y136 V139 H172 N178I131-L180 HydrophobicContact CG2-CD1 4.1Å; Y136-L180 WeakPolarHBondContact CA-O 3.23Å; Y136-L180 WeakPolarHBondContact CB-O 3.36Å; V139-L180 HydrophobicContact CG1-CB 4.26Å; V139-L180 HydrophobicContact CG2-CB 4.49Å; H172-L180 VanDerWaalsContact CD2-CD1 3.49Å; H172-L180 WeakPolarHBondContact CD2-CD1 3.38Å; N178-L180 HydrophobicContact CB-CG 4.12Å; N178-L180 PolarHBondContact O-N 2.67Å; N178-L180 VanDerWaalsContact O-N 3.1Å
181L93.4Very high87.5Confident5 Ų544.6 Ų44.63%0.02622%0.223CC..SBendtrans-144.8127.4179-174.962.6000109.7Y136 V139 R140 F143 I173 N179 A183 L185 I186Y136-L181 HydrophobicContact CD2-CD1 4.48Å; Y136-L181 WeakPolarHBondContact O-CD1 3.38Å; V139-L181 HydrophobicContact CG1-CB 4.03Å; R140-L181 HydrophobicContact CB-CD1 3.73Å; R140-L181 HydrophobicContact CB-CD2 4.32Å; R140-L181 HydrophobicContact CG-CD1 4.32Å; F143-L181 HydrophobicContact CB-CD2 4.47Å; F143-L181 HydrophobicContact CD1-CD2 4.22Å; F143-L181 HydrophobicContact CG-CD2 4.46Å; I173-L181 HydrophobicContact CG2-CB 4.37Å; I173-L181 HydrophobicContact CG2-CD2 4.43Å; N179-L181 VanDerWaalsContact C-N 3.33Å; L181-A183 PolarHBondContact O-N 3.36Å; L181-L185 HydrophobicContact CD1-CB 3.95Å; L181-L185 HydrophobicContact CD1-CD1 3.92Å; L181-L185 HydrophobicContact CG-CB 4.18Å; L181-I186 HydrophobicContact CB-CD1 4.17Å; L181-I186 HydrophobicContact CB-CG1 4.01Å; L181-I186 HydrophobicContact CD2-CG1 3.51Å; L181-I186 HydrophobicContact CG-CD1 4.38Å; L181-I186 HydrophobicContact CG-CG1 3.71Å; L181-I186 VanDerWaalsContact O-CD1 3.31Å; L181-I186 WeakPolarHBondContact O-CD1 3.47Å
182P90.2Very high87Confident41 Ų4148.8 Ų48.827%0.26623%0.233SC..  trans-53.6132.7175.4-30.635.6000112.7Y184 L185 I186P182-Y184 HydrophobicContact CB-CD1 3.73Å; P182-Y184 HydrophobicContact CB-CE1 3.67Å; P182-Y184 HydrophobicContact CG-CE1 4.44Å; P182-Y184 PolarHBondContact O-N 2.82Å; P182-Y184 VanDerWaalsContact O-N 3.08Å; P182-L185 HydrophobicContact CB-CD1 4.41Å; P182-L185 HydrophobicContact CB-CG 4.44Å; P182-L185 HydrophobicContact CG-CD1 4.27Å; P182-L185 WeakPolarHBondContact O-CA 3.17Å; P182-L185 WeakPolarHBondContact O-CB 3.34Å; P182-L185 PolarHBondContact O-N 3.13Å; P182-I186 PolarHBondContact O-N 3.08Å
183A85.8Confident86Confident18 Ų1848.6 Ų48.615%0.14924%0.237CC..Hα-helixtrans-50.8-38.9-17600000113.9L181 L185 I186 I187 L212 F216L181-A183 PolarHBondContact O-N 3.36Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 3.45Å; A183-I186 WeakPolarHBondContact O-CB 3.32Å; A183-I186 PolarHBondContact O-N 3.05Å; A183-I187 WeakPolarHBondContact O-CD1 3.35Å; A183-I187 VanDerWaalsContact O-CG1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.45Å; A183-I187 PolarHBondContact O-N 3.43Å; A183-L212 HydrophobicContact CB-CD1 4.16Å; A183-F216 HydrophobicContact CB-CD2 3.92Å; A183-F216 HydrophobicContact CB-CE2 3.91Å
184Y84.6Confident84.9Confident116 Ų11650 Ų5046%0.45524%0.243SC..Hα-helixtrans-65.3-31.5178.786.2-87.9000113P182 T188P182-Y184 HydrophobicContact CB-CD1 3.73Å; P182-Y184 HydrophobicContact CB-CE1 3.67Å; P182-Y184 HydrophobicContact CG-CE1 4.44Å; P182-Y184 PolarHBondContact O-N 2.82Å; P182-Y184 VanDerWaalsContact O-N 3.08Å; Y184-T188 VanDerWaalsContact O-CB 3.32Å; Y184-T188 WeakPolarHBondContact O-CB 3.45Å; Y184-T188 PolarHBondContact O-N 3.39Å; Y184-T188 PolarHBondContact O-OG1 3.22Å
185L88.7Confident83.5Confident7 Ų753.3 Ų53.34%0.03727%0.266CS..Hα-helixtrans-73.4-40.6175.6-68.3178.9000110.9Y136 L181 P182 A183 T188 E189Y136-L185 HydrophobicContact CD2-CD1 3.96Å; Y136-L185 HydrophobicContact CE2-CD1 4.09Å; L181-L185 HydrophobicContact CD1-CB 3.95Å; L181-L185 HydrophobicContact CD1-CD1 3.92Å; L181-L185 HydrophobicContact CG-CB 4.18Å; P182-L185 HydrophobicContact CB-CD1 4.41Å; P182-L185 HydrophobicContact CB-CG 4.44Å; P182-L185 HydrophobicContact CG-CD1 4.27Å; P182-L185 WeakPolarHBondContact O-CA 3.17Å; P182-L185 WeakPolarHBondContact O-CB 3.34Å; P182-L185 PolarHBondContact O-N 3.13Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 3.45Å; L185-T188 PolarHBondContact O-N 2.94Å; L185-E189 WeakPolarHBondContact O-CG 3.37Å; L185-E189 PolarHBondContact O-N 2.89Å
186I87.7Confident81.8Confident2 Ų257.6 Ų57.61%0.0128%0.283CS..Hα-helixtrans-56.1-53.1173.1-64.3160000109.6F143 L181 P182 A183 T188 E189 M190 L212F143-I186 HydrophobicContact CE1-CG2 4Å; F143-I186 HydrophobicContact CZ-CG2 3.99Å; L181-I186 HydrophobicContact CB-CD1 4.17Å; L181-I186 HydrophobicContact CB-CG1 4.01Å; L181-I186 HydrophobicContact CD2-CG1 3.51Å; L181-I186 HydrophobicContact CG-CD1 4.38Å; L181-I186 HydrophobicContact CG-CG1 3.71Å; L181-I186 VanDerWaalsContact O-CD1 3.31Å; L181-I186 WeakPolarHBondContact O-CD1 3.47Å; P182-I186 PolarHBondContact O-N 3.08Å; A183-I186 WeakPolarHBondContact O-CB 3.32Å; A183-I186 PolarHBondContact O-N 3.05Å; I186-T188 VanDerWaalsContact C-N 3.28Å; I186-T188 PolarHBondContact O-N 2.98Å; I186-E189 PolarHBondContact O-N 3.33Å; I186-M190 HydrophobicContact CG2-CE 3.7Å; I186-M190 HydrophobicContact CG2-CG 4.36Å; I186-M190 HydrophobicContact CG2-SD 3.97Å; I186-M190 WeakPolarHBondContact O-CG 3.5Å; I186-M190 PolarHBondContact O-N 2.91Å; I186-L212 HydrophobicContact CB-CD2 4.08Å; I186-L212 HydrophobicContact CD1-CD2 4.48Å; I186-L212 HydrophobicContact CG2-CD2 3.47Å; I186-L212 VanDerWaalsContact CG2-CD2 3.47Å
187I83.5Confident80.2Confident0 Ų060.8 Ų60.80%031%0.305CS..Hα-helixtrans-61-38.9179.9-64.4161.2000111.3A183 R191 L212 V213 F216 P280A183-I187 WeakPolarHBondContact O-CD1 3.35Å; A183-I187 VanDerWaalsContact O-CG1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.45Å; A183-I187 PolarHBondContact O-N 3.43Å; I187-R191 HydrophobicContact CG2-CG 4.46Å; I187-R191 WeakPolarHBondContact O-CB 3.49Å; I187-R191 PolarHBondContact O-N 2.86Å; I187-L212 HydrophobicContact CG1-CD2 4.3Å; I187-L212 HydrophobicContact CG1-CG 4.32Å; I187-V213 HydrophobicContact CG1-CG2 4.42Å; I187-F216 HydrophobicContact CD1-CB 3.56Å; I187-F216 HydrophobicContact CD1-CD1 3.85Å; I187-F216 HydrophobicContact CD1-CD2 3.97Å; I187-F216 HydrophobicContact CD1-CG 3.5Å; I187-F216 VanDerWaalsContact CD1-CG 3.5Å; I187-P280 HydrophobicContact CD1-CG 4.24Å; I187-P280 HydrophobicContact CG2-CG 4.29Å
188T82.8Confident78.5Confident20 Ų2060 Ų6012%0.12329%0.294CS..Hα-helixtrans-63.1-44.7177.8-62.40000111.9Y184 L185 I186 K192 C278Y184-T188 VanDerWaalsContact O-CB 3.32Å; Y184-T188 WeakPolarHBondContact O-CB 3.45Å; Y184-T188 PolarHBondContact O-N 3.39Å; Y184-T188 PolarHBondContact O-OG1 3.22Å; L185-T188 PolarHBondContact O-N 2.94Å; I186-T188 VanDerWaalsContact C-N 3.28Å; I186-T188 PolarHBondContact O-N 2.98Å; T188-K192 HydrophobicContact CG2-CD 4.31Å; T188-K192 VanDerWaalsContact O-CG 3.29Å; T188-K192 WeakPolarHBondContact O-CG 3.32Å; T188-K192 PolarHBondContact O-N 2.76Å; T188-K192 VanDerWaalsContact O-N 3.15Å; T188-C278 HydrophobicContact CG2-CB 4.47Å
189E84.5Confident76.5Confident10 Ų1058.9 Ų58.95%0.04729%0.292CS..Hα-helixtrans-69.8-43.3177.7-61.4-46.6135.500111.5R140 F143 K144 L185 I186 R191 K192 S193R140-E189 HydrophobicContact CG-CG 4.08Å; R140-E189 IonicContact CZ-OE1 3.79Å; R140-E189 IonicContact NE-OE1 3.58Å; R140-E189 PolarHBondContact NE-OE1 3.26Å; R140-E189 IonicContact NH2-OE1 2.78Å; R140-E189 PolarHBondContact NH2-OE1 3.19Å; F143-E189 HydrophobicContact CD1-CB 4.25Å; F143-E189 HydrophobicContact CE1-CB 4.27Å; K144-E189 VanDerWaalsContact CE-CD 3.42Å; K144-E189 WeakPolarHBondContact CE-OE2 3.28Å; K144-E189 HydrophobicContact CG-CG 3.97Å; K144-E189 VanDerWaalsContact CG-OE2 3.31Å; K144-E189 WeakPolarHBondContact CG-OE2 3.38Å; L185-E189 WeakPolarHBondContact O-CG 3.37Å; L185-E189 PolarHBondContact O-N 2.89Å; I186-E189 PolarHBondContact O-N 3.33Å; E189-R191 VanDerWaalsContact C-N 3.34Å; E189-R191 PolarHBondContact O-N 2.77Å; E189-K192 PolarHBondContact O-N 3.19Å; E189-K192 VanDerWaalsContact O-N 3.12Å; E189-S193 PolarHBondContact O-N 3.26Å
190M79.3Confident74.9Confident13 Ų1356.6 Ų56.66%0.06428%0.276CS..Hα-helixtrans-55.6-46.8175.9-73-178.3171.200111.9F143 I186 K192 S193 F194F143-M190 HydrophobicContact CE1-CG 4.31Å; F143-M190 HydrophobicContact CZ-CE 3.83Å; F143-M190 HydrophobicContact CZ-CG 4.24Å; I186-M190 HydrophobicContact CG2-CE 3.7Å; I186-M190 HydrophobicContact CG2-CG 4.36Å; I186-M190 HydrophobicContact CG2-SD 3.97Å; I186-M190 WeakPolarHBondContact O-CG 3.5Å; I186-M190 PolarHBondContact O-N 2.91Å; M190-K192 VanDerWaalsContact C-N 3.33Å; M190-K192 PolarHBondContact O-N 3.03Å; M190-S193 PolarHBondContact O-N 3.28Å; M190-F194 HydrophobicContact CB-CD2 4.39Å; M190-F194 WeakPolarHBondContact O-CB 3.15Å; M190-F194 WeakPolarHBondContact O-CD2 3.27Å; M190-F194 WeakPolarHBondContact O-CG 3.31Å; M190-F194 PolarHBondContact O-N 2.85Å
191R75.5Confident73.4Confident60 Ų6058 Ų5823%0.22629%0.288CS..Hα-helixtrans-75.6-15.6179.6-72.7-173.472.3179.47114.8I187 E189 F194 E196 C278 L279I187-R191 HydrophobicContact CG2-CG 4.46Å; I187-R191 WeakPolarHBondContact O-CB 3.49Å; I187-R191 PolarHBondContact O-N 2.86Å; E189-R191 VanDerWaalsContact C-N 3.34Å; E189-R191 PolarHBondContact O-N 2.77Å; R191-F194 CarbonylContact C-O 3.58Å; R191-E196 IonicContact NH2-OE1 2.84Å; R191-E196 PolarHBondContact NH2-OE1 2.98Å; R191-C278 HydrophobicContact CB-CB 4.23Å; R191-C278 VanDerWaalsContact CD-O 3.3Å; R191-C278 WeakPolarHBondContact CD-O 3.34Å; R191-C278 PolarHBondContact NH1-O 3.22Å; R191-L279 VanDerWaalsContact NH1-C 3.31Å; R191-L279 PolarHBondContact NH1-O 3.16Å
192K79.4Confident72.6Confident132 Ų13258.2 Ų58.257%0.57429%0.289SS*.Hα-helixtrans-79-41.1171.1-80.7176.9179.3-1770111.2T188 E189 M190T188-K192 HydrophobicContact CG2-CD 4.31Å; T188-K192 VanDerWaalsContact O-CG 3.29Å; T188-K192 WeakPolarHBondContact O-CG 3.32Å; T188-K192 PolarHBondContact O-N 2.76Å; T188-K192 VanDerWaalsContact O-N 3.15Å; E189-K192 PolarHBondContact O-N 3.19Å; E189-K192 VanDerWaalsContact O-N 3.12Å; M190-K192 VanDerWaalsContact C-N 3.33Å; M190-K192 PolarHBondContact O-N 3.03Å
193S74Confident72.1Confident42 Ų4262.4 Ų62.429%0.29430%0.3SS..Hα-helixtrans-77.8-28.4179.4-64.70000112.7D148 E189 M190D148-S193 WeakPolarHBondContact OD1-CB 3.37Å; D148-S193 PolarHBondContact OD1-OG 3.13Å; E189-S193 PolarHBondContact O-N 3.26Å; M190-S193 PolarHBondContact O-N 3.28Å
194F69.9Low71.9Confident32 Ų3264 Ų6414%0.1430%0.302CS..SBendtrans-115.9137.5-179.6-46.3-53.5000112.9V147 M190 R191 R198V147-F194 HydrophobicContact CG1-CE1 4.2Å; V147-F194 HydrophobicContact CG1-CE2 3.57Å; V147-F194 HydrophobicContact CG1-CZ 3.32Å; M190-F194 HydrophobicContact CB-CD2 4.39Å; M190-F194 WeakPolarHBondContact O-CB 3.15Å; M190-F194 WeakPolarHBondContact O-CD2 3.27Å; M190-F194 WeakPolarHBondContact O-CG 3.31Å; M190-F194 PolarHBondContact O-N 2.85Å; R191-F194 CarbonylContact C-O 3.58Å; F194-R198 WeakPolarHBondContact CB-O 3.46Å
195S58.8Low71.6Confident78 Ų7859.8 Ų59.855%0.54529%0.288SS..  trans-56.8150.4172.462.80000111.4M197 R198S195-M197 PolarHBondContact O-N 3.42Å; S195-R198 CarbonylContact O-C 3.25Å; S195-R198 PolarHBondContact O-N 3.25Å
196E53.9Low71.2Confident121 Ų12159.9 Ų59.957%0.56529%0.29SS*.THydrogen-bonded Turntrans-52.7-27.4-177.5-66.5-165.9135.900115.6R191 R198R191-E196 IonicContact NH2-OE1 2.84Å; R191-E196 PolarHBondContact NH2-OE1 2.98Å; E196-R198 VanDerWaalsContact C-N 3.35Å
197M50.8Low70.9Confident190 Ų19066.2 Ų66.294%0.93632%0.324SS*.THydrogen-bonded Turntrans-77.7-16177-71.3-151.1-169.500114.5S195S195-M197 PolarHBondContact O-N 3.42Å
198R50.9Low70.8Confident166 Ų16668.7 Ų68.763%0.62634%0.337SS*.  trans-121.8106.9177.5-70.3-172179.3-175.31108.1F194 S195 E196 F200F194-R198 WeakPolarHBondContact CB-O 3.46Å; S195-R198 CarbonylContact O-C 3.25Å; S195-R198 PolarHBondContact O-N 3.25Å; E196-R198 VanDerWaalsContact C-N 3.35Å; R198-F200 PolarHBondContact O-N 3.25Å
199C50Low70.6Confident45 Ų4567.9 Ų67.930%0.30433%0.332SS..SBendtrans-75.1-1.5173.9-73.60000113.6
200F55.5Low70.4Confident68 Ų6869.5 Ų69.530%0.29834%0.344SS..  trans-146149.9-170.250.1-91.7000112.8R198 A206R198-F200 PolarHBondContact O-N 3.25Å; F200-A206 HydrophobicContact CB-CB 4.29Å; F200-A206 HydrophobicContact CD1-CB 3.54Å; F200-A206 HydrophobicContact CD2-CB 3.78Å; F200-A206 HydrophobicContact CE1-CB 3.69Å; F200-A206 HydrophobicContact CE2-CB 3.91Å; F200-A206 HydrophobicContact CG-CB 3.6Å; F200-A206 HydrophobicContact CZ-CB 3.86Å
201S62.6Low70.6Confident53 Ų5375.4 Ų75.437%0.37137%0.372SS..SBendtrans-68.4-42.3169.939.90000111.6
202H76.7Confident71Confident9 Ų973.1 Ų73.14%0.04236%0.364CS..SBendtrans-146.1141.8-166.6-168.2-87.1000111.2P152 L155 R204 V205 A206P152-H202 PolarHBondContact O-CD2 3.29Å; P152-H202 PolarHBondContact O-NE2 3.42Å; P152-H202 VanDerWaalsContact O-NE2 3.17Å; L155-H202 WeakPolarHBondContact CD1-CE1 3.31Å; H202-R204 WeakPolarHBondContact ND1-CB 3.38Å; H202-R204 PolarHBondContact ND1-N 3.45Å; H202-R204 PolarHBondContact O-N 3.18Å; H202-V205 WeakPolarHBondContact O-CG2 3.5Å; H202-V205 PolarHBondContact O-N 3.05Å; H202-V205 VanDerWaalsContact O-N 3.11Å; H202-A206 PolarHBondContact O-N 3.05Å
203W79Confident71Confident129 Ų12967.2 Ų67.249%0.48934%0.339SS..G310 helixtrans-57.4-26.1-174.159.5-93.1000113.8V153 L155 V205 A206V153-W203 PolarHBondContact O-NE1 2.9Å; L155-W203 HydrophobicContact CD1-CZ2 4.12Å; W203-V205 VanDerWaalsContact C-N 3.35Å; W203-V205 PolarHBondContact O-N 3.09Å; W203-A206 VanDerWaalsContact O-CB 3.26Å; W203-A206 WeakPolarHBondContact O-CB 3.49Å; W203-A206 PolarHBondContact O-N 3.32Å
204R81.5Confident71.2Confident52 Ų5269.6 Ų69.620%0.19635%0.345CS..G310 helixtrans-63.8-30.6177.5-79.7-164.480.5149.7-2.1115.4R160 E167 H202R160-R204 VanDerWaalsContact C-NH1 3.35Å; R160-R204 PolarHBondContact O-NH1 3.48Å; E167-R204 VanDerWaalsContact CD-NE 3.29Å; E167-R204 VanDerWaalsContact CD-NH2 3.29Å; E167-R204 HydrophobicContact CG-CB 4.5Å; E167-R204 VanDerWaalsContact OE1-CB 3.22Å; E167-R204 WeakPolarHBondContact OE1-CB 3.4Å; E167-R204 IonicContact OE1-CZ 3.24Å; E167-R204 IonicContact OE1-NE 3.36Å; E167-R204 PolarHBondContact OE1-NE 3.39Å; E167-R204 IonicContact OE1-NH2 3.89Å; E167-R204 PolarHBondContact OE1-NH2 3.28Å; E167-R204 IonicContact OE2-CZ 2.72Å; E167-R204 IonicContact OE2-NE 3.55Å; E167-R204 IonicContact OE2-NH2 3.32Å; E167-R204 PolarHBondContact OE2-NH2 3.25Å; H202-R204 WeakPolarHBondContact ND1-CB 3.38Å; H202-R204 PolarHBondContact ND1-N 3.45Å; H202-R204 PolarHBondContact O-N 3.18Å
205V79.2Confident71.8Confident26 Ų2670.4 Ų70.416%0.15836%0.355CS..G310 helixtrans-105.75.6176.9-66.20000112.3E167 T170 H202 W203 D207 S209E167-V205 HydrophobicContact CG-CG1 4.32Å; T170-V205 HydrophobicContact CG2-CG1 4.26Å; H202-V205 WeakPolarHBondContact O-CG2 3.5Å; H202-V205 PolarHBondContact O-N 3.05Å; H202-V205 VanDerWaalsContact O-N 3.11Å; W203-V205 VanDerWaalsContact C-N 3.35Å; W203-V205 PolarHBondContact O-N 3.09Å; V205-D207 PolarHBondContact O-N 3.22Å; V205-S209 WeakPolarHBondContact O-CB 3.34Å; V205-S209 PolarHBondContact O-N 3.05Å; V205-S209 PolarHBondContact O-OG 2.95Å
206A79Confident73Confident9 Ų968.1 Ų68.17%0.07434%0.335CS..Hα-helixtrans-61.6-45.2-175.800000111.7F200 H202 W203 S209 S210F200-A206 HydrophobicContact CB-CB 4.29Å; F200-A206 HydrophobicContact CD1-CB 3.54Å; F200-A206 HydrophobicContact CD2-CB 3.78Å; F200-A206 HydrophobicContact CE1-CB 3.69Å; F200-A206 HydrophobicContact CE2-CB 3.91Å; F200-A206 HydrophobicContact CG-CB 3.6Å; F200-A206 HydrophobicContact CZ-CB 3.86Å; H202-A206 PolarHBondContact O-N 3.05Å; W203-A206 VanDerWaalsContact O-CB 3.26Å; W203-A206 WeakPolarHBondContact O-CB 3.49Å; W203-A206 PolarHBondContact O-N 3.32Å; A206-S209 PolarHBondContact O-N 3.19Å; A206-S209 PolarHBondContact O-OG 3Å; A206-S210 VanDerWaalsContact O-CB 3.26Å; A206-S210 WeakPolarHBondContact O-CB 3.28Å; A206-S210 PolarHBondContact O-N 3.18Å; A206-S210 PolarHBondContact O-OG 3.35Å
207D81.7Confident74.1Confident135 Ų13565.2 Ų65.272%0.72232%0.319SS*.Hα-helixtrans-63.1-48.4-178.2-66.6-19.9000111.5V205 S209 S210 E211V205-D207 PolarHBondContact O-N 3.22Å; D207-S209 PolarHBondContact O-N 2.96Å; D207-S210 PolarHBondContact O-N 3.2Å; D207-E211 WeakPolarHBondContact O-CB 3.32Å; D207-E211 PolarHBondContact O-N 2.99Å
208L82.9Confident75.1Confident52 Ų5258.7 Ų58.727%0.27229%0.291SS..Hα-helixtrans-57.5-47.1176.4178.572000111.9T170 A171 C174 L212T170-L208 HydrophobicContact CG2-CD2 3.7Å; A171-L208 HydrophobicContact CB-CD2 4.21Å; C174-L208 HydrophobicContact CB-CD1 4.42Å; C174-L208 HydrophobicContact CB-CD2 4.11Å; C174-L208 HydrophobicContact CB-CG 4.38Å; L208-L212 WeakPolarHBondContact O-CB 3.41Å; L208-L212 PolarHBondContact O-N 3.47Å
209S78.4Confident76.2Confident3 Ų355.3 Ų55.32%0.02129%0.285CS..Hα-helixtrans-65.6-39.9178.968.10000111.9V205 A206 D207 L212 V213V205-S209 WeakPolarHBondContact O-CB 3.34Å; V205-S209 PolarHBondContact O-N 3.05Å; V205-S209 PolarHBondContact O-OG 2.95Å; A206-S209 PolarHBondContact O-N 3.19Å; A206-S209 PolarHBondContact O-OG 3Å; D207-S209 PolarHBondContact O-N 2.96Å; S209-L212 PolarHBondContact O-N 3.44Å; S209-V213 WeakPolarHBondContact O-CB 3.48Å; S209-V213 VanDerWaalsContact O-CG2 3.25Å; S209-V213 WeakPolarHBondContact O-CG2 3.16Å; S209-V213 PolarHBondContact O-N 2.86Å
210S78.6Confident77.3Confident44 Ų4453.2 Ų53.231%0.30827%0.271SS..Hα-helixtrans-66.8-47.3179.9-59.70000110.2A206 D207 L212 V213 E214A206-S210 VanDerWaalsContact O-CB 3.26Å; A206-S210 WeakPolarHBondContact O-CB 3.28Å; A206-S210 PolarHBondContact O-N 3.18Å; A206-S210 PolarHBondContact O-OG 3.35Å; D207-S210 PolarHBondContact O-N 3.2Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 3.49Å; S210-V213 PolarHBondContact O-N 3.12Å; S210-E214 WeakPolarHBondContact O-CB 3.41Å; S210-E214 VanDerWaalsContact O-CG 3.26Å; S210-E214 WeakPolarHBondContact O-CG 3.21Å; S210-E214 PolarHBondContact O-N 3.46Å
211E83.6Confident78Confident138 Ų13852.4 Ų52.465%0.64527%0.268SS*.Hα-helixtrans-59.3-43.9176.1-173-179.1178.200111.9D207 S215D207-E211 WeakPolarHBondContact O-CB 3.32Å; D207-E211 PolarHBondContact O-N 2.99Å; E211-S215 WeakPolarHBondContact O-CB 3.12Å; E211-S215 PolarHBondContact O-N 3.19Å; E211-S215 PolarHBondContact O-OG 3.13Å
212L83.9Confident78.2Confident11 Ų1153.9 Ų53.96%0.05827%0.27CS..Hα-helixtrans-62.8-44.5177.2-178.166.2000112A183 I186 I187 L208 S209 S210 S215 F216A183-L212 HydrophobicContact CB-CD1 4.16Å; I186-L212 HydrophobicContact CB-CD2 4.08Å; I186-L212 HydrophobicContact CD1-CD2 4.48Å; I186-L212 HydrophobicContact CG2-CD2 3.47Å; I186-L212 VanDerWaalsContact CG2-CD2 3.47Å; I187-L212 HydrophobicContact CG1-CD2 4.3Å; I187-L212 HydrophobicContact CG1-CG 4.32Å; L208-L212 WeakPolarHBondContact O-CB 3.41Å; L208-L212 PolarHBondContact O-N 3.47Å; S209-L212 PolarHBondContact O-N 3.44Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 3.49Å; L212-S215 PolarHBondContact O-OG 2.9Å; L212-F216 WeakPolarHBondContact O-CB 3.29Å; L212-F216 PolarHBondContact O-N 2.92Å
213V80.1Confident77.7Confident8 Ų858.1 Ų58.15%0.04829%0.293CS..Hα-helixtrans-67-51.1179.6166.30000110.7I187 S209 S210 S215 F216 R217 P280I187-V213 HydrophobicContact CG1-CG2 4.42Å; S209-V213 WeakPolarHBondContact O-CB 3.48Å; S209-V213 VanDerWaalsContact O-CG2 3.25Å; S209-V213 WeakPolarHBondContact O-CG2 3.16Å; S209-V213 PolarHBondContact O-N 2.86Å; S210-V213 PolarHBondContact O-N 3.12Å; V213-S215 PolarHBondContact O-N 3.3Å; V213-F216 PolarHBondContact O-N 3.25Å; V213-F216 VanDerWaalsContact O-N 3.15Å; V213-R217 WeakPolarHBondContact O-CG 3.27Å; V213-R217 PolarHBondContact O-N 3.47Å; V213-P280 HydrophobicContact CG1-CB 3.72Å; V213-P280 HydrophobicContact CG1-CG 4.41Å
214E79.1Confident77Confident92 Ų9252.4 Ų52.443%0.4327%0.273SS..Hα-helixtrans-59.3-47179.8-71-53.8143.100111.5S210 F216 R217S210-E214 WeakPolarHBondContact O-CB 3.41Å; S210-E214 VanDerWaalsContact O-CG 3.26Å; S210-E214 WeakPolarHBondContact O-CG 3.21Å; S210-E214 PolarHBondContact O-N 3.46Å; E214-F216 PolarHBondContact O-N 3Å; E214-R217 PolarHBondContact O-N 3.48Å; E214-R217 IonicContact OE1-CZ 3.57Å; E214-R217 IonicContact OE1-NE 3.25Å; E214-R217 PolarHBondContact OE1-NE 2.88Å; E214-R217 IonicContact OE1-NH1 3.95Å; E214-R217 PolarHBondContact OE1-NH1 3.03Å; E214-R217 IonicContact OE1-NH2 2.72Å; E214-R217 PolarHBondContact OE1-NH2 3.08Å; E214-R217 WeakPolarHBondContact OE2-CD 3.35Å; E214-R217 IonicContact OE2-CZ 2.73Å; E214-R217 IonicContact OE2-NE 2.89Å; E214-R217 PolarHBondContact OE2-NE 3.34Å; E214-R217 IonicContact OE2-NH1 3.11Å; E214-R217 PolarHBondContact OE2-NH1 3.15Å; E214-R217 IonicContact OE2-NH2 2.72Å
215S82.6Confident75.8Confident50 Ų5054.7 Ų54.735%0.3529%0.288SS..Hα-helixtrans-68.8-13.8179.764.20000114R176 E211 L212 V213R176-S215 PolarHBondContact NH2-OG 3.1Å; E211-S215 WeakPolarHBondContact O-CB 3.12Å; E211-S215 PolarHBondContact O-N 3.19Å; E211-S215 PolarHBondContact O-OG 3.13Å; L212-S215 PolarHBondContact O-OG 2.9Å; V213-S215 PolarHBondContact O-N 3.3Å
216F83.1Confident74.2Confident30 Ų3060.3 Ų60.313%0.13232%0.317CS..Hα-helixtrans-94.9-16.2175.8-157.1-87.1000113A183 I187 L212 V213 E214 L219 A220 L279 P280A183-F216 HydrophobicContact CB-CD2 3.92Å; A183-F216 HydrophobicContact CB-CE2 3.91Å; I187-F216 HydrophobicContact CD1-CB 3.56Å; I187-F216 HydrophobicContact CD1-CD1 3.85Å; I187-F216 HydrophobicContact CD1-CD2 3.97Å; I187-F216 HydrophobicContact CD1-CG 3.5Å; I187-F216 VanDerWaalsContact CD1-CG 3.5Å; L212-F216 WeakPolarHBondContact O-CB 3.29Å; L212-F216 PolarHBondContact O-N 2.92Å; V213-F216 PolarHBondContact O-N 3.25Å; V213-F216 VanDerWaalsContact O-N 3.15Å; E214-F216 PolarHBondContact O-N 3Å; F216-L219 HydrophobicContact CE1-CB 4.44Å; F216-L219 PolarHBondContact O-N 3.28Å; F216-L219 VanDerWaalsContact O-N 3.16Å; F216-A220 HydrophobicContact CD1-CB 4.32Å; F216-A220 PolarHBondContact O-N 3.36Å; F216-L279 HydrophobicContact CE1-CD2 3.87Å; F216-P280 HydrophobicContact CB-CG 4.12Å; F216-P280 HydrophobicContact CD1-CG 4.03Å
217R77.6Confident72.3Confident60 Ų6061 Ų6123%0.22632%0.324CS..Hα-helixtrans-54.4-43.5-178-69-178.4176.5176.6-2.3114.2V213 E214 L219 A220 Q221 P280V213-R217 WeakPolarHBondContact O-CG 3.27Å; V213-R217 PolarHBondContact O-N 3.47Å; E214-R217 PolarHBondContact O-N 3.48Å; E214-R217 IonicContact OE1-CZ 3.57Å; E214-R217 IonicContact OE1-NE 3.25Å; E214-R217 PolarHBondContact OE1-NE 2.88Å; E214-R217 IonicContact OE1-NH1 3.95Å; E214-R217 PolarHBondContact OE1-NH1 3.03Å; E214-R217 IonicContact OE1-NH2 2.72Å; E214-R217 PolarHBondContact OE1-NH2 3.08Å; E214-R217 WeakPolarHBondContact OE2-CD 3.35Å; E214-R217 IonicContact OE2-CZ 2.73Å; E214-R217 IonicContact OE2-NE 2.89Å; E214-R217 PolarHBondContact OE2-NE 3.34Å; E214-R217 IonicContact OE2-NH1 3.11Å; E214-R217 PolarHBondContact OE2-NH1 3.15Å; E214-R217 IonicContact OE2-NH2 2.72Å; R217-L219 VanDerWaalsContact C-N 3.35Å; R217-L219 PolarHBondContact O-N 3.4Å; R217-A220 WeakPolarHBondContact O-CB 3.47Å; R217-A220 PolarHBondContact O-N 2.92Å; R217-Q221 WeakPolarHBondContact O-CG 3.47Å; R217-Q221 PolarHBondContact O-N 3.33Å; R217-P280 WeakPolarHBondContact CA-O 3.46Å; R217-P280 HydrophobicContact CG-CB 4.15Å; R217-P280 HydrophobicContact CG-CG 4.45Å; R217-P280 WeakPolarHBondContact CG-O 3.36Å
218P70.9Confident70Confident52 Ų5258.7 Ų58.734%0.33832%0.315SS..Hα-helixtrans-61.7-40.8178.4-24.135.4000112.8Q221 M222 P230P218-Q221 PolarHBondContact O-N 2.93Å; P218-M222 WeakPolarHBondContact O-CG 3.35Å; P218-M222 PolarHBondContact O-N 2.81Å; P218-P230 HydrophobicContact CB-CG 4.28Å
219L74.4Confident67.5Low96 Ų9659.1 Ų59.150%0.50332%0.322SS..Hα-helixtrans-67.7-38.2175.9-78.4100.4000112F216 R217 Q221 M222 N223F216-L219 HydrophobicContact CE1-CB 4.44Å; F216-L219 PolarHBondContact O-N 3.28Å; F216-L219 VanDerWaalsContact O-N 3.16Å; R217-L219 VanDerWaalsContact C-N 3.35Å; R217-L219 PolarHBondContact O-N 3.4Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-M222 PolarHBondContact O-N 3.44Å; L219-N223 PolarHBondContact O-N 3.36Å
220A73.9Confident65.5Low1 Ų162.6 Ų62.61%0.00835%0.345CS..Hα-helixtrans-61.1-44.4174.200000111.3F216 R217 M222 N223 L279 P280 F281F216-A220 HydrophobicContact CD1-CB 4.32Å; F216-A220 PolarHBondContact O-N 3.36Å; R217-A220 WeakPolarHBondContact O-CB 3.47Å; R217-A220 PolarHBondContact O-N 2.92Å; A220-M222 VanDerWaalsContact C-N 3.35Å; A220-M222 PolarHBondContact O-N 2.81Å; A220-N223 WeakPolarHBondContact O-CB 3.5Å; A220-N223 PolarHBondContact O-N 3.03Å; A220-N223 VanDerWaalsContact O-N 3.12Å; A220-L279 HydrophobicContact CB-CB 3.94Å; A220-P280 HydrophobicContact CB-CG 4.39Å; A220-P280 WeakPolarHBondContact CB-O 3.31Å; A220-F281 HydrophobicContact CB-CD1 4.44Å; A220-F281 HydrophobicContact CB-CE1 4.4Å; A220-F281 WeakPolarHBondContact O-CE1 3.17Å
221Q70.2Confident63.2Low50 Ų5068.9 Ų68.923%0.23437%0.367CS..Hα-helixtrans-60.4-41.6176.5-72.6168.8-27.300112.1R217 P218 L219 N223 S224 S282R217-Q221 WeakPolarHBondContact O-CG 3.47Å; R217-Q221 PolarHBondContact O-N 3.33Å; P218-Q221 PolarHBondContact O-N 2.93Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; Q221-N223 PolarHBondContact O-N 3.07Å; Q221-S224 WeakPolarHBondContact O-CB 3.24Å; Q221-S224 PolarHBondContact O-N 3.43Å; Q221-S224 PolarHBondContact O-OG 3.08Å; Q221-S282 PolarHBondContact NE2-OG 3.23Å
222M64.7Low60.6Low85 Ų8570.1 Ų70.142%0.41938%0.375SS..Hα-helixtrans-58.1-35.6174.7-72.7176.362.400112.7P218 L219 A220 S224 I225P218-M222 WeakPolarHBondContact O-CG 3.35Å; P218-M222 PolarHBondContact O-N 2.81Å; L219-M222 PolarHBondContact O-N 3.44Å; A220-M222 VanDerWaalsContact C-N 3.35Å; A220-M222 PolarHBondContact O-N 2.81Å; M222-S224 PolarHBondContact O-N 2.8Å; M222-I225 PolarHBondContact O-N 3.37Å
223N66.5Low58.2Low98 Ų9876.7 Ų76.752%0.52442%0.415SS..THydrogen-bonded Turntrans-73.6-6.7179.1-160.210.5000113.6L219 A220 Q221 I225 L279L219-N223 PolarHBondContact O-N 3.36Å; A220-N223 WeakPolarHBondContact O-CB 3.5Å; A220-N223 PolarHBondContact O-N 3.03Å; A220-N223 VanDerWaalsContact O-N 3.12Å; Q221-N223 PolarHBondContact O-N 3.07Å; N223-I225 PolarHBondContact O-N 2.85Å; N223-I225 VanDerWaalsContact O-N 3.08Å; N223-L279 HydrophobicContact CB-CD1 4.36Å; N223-L279 WeakPolarHBondContact ND2-CD1 3.5Å
224S64.3Low56Low9 Ų981.2 Ų81.26%0.06344%0.442CS..THydrogen-bonded Turntrans-69.42.217071.40000113.8Q221 M222Q221-S224 WeakPolarHBondContact O-CB 3.24Å; Q221-S224 PolarHBondContact O-N 3.43Å; Q221-S224 PolarHBondContact O-OG 3.08Å; M222-S224 PolarHBondContact O-N 2.8Å
225I56.9Low53.9Low100 Ų10087.6 Ų87.651%0.51346%0.462SS..THydrogen-bonded Turntrans79.495.3172.8-51.7174.2000111.2M222 N223M222-I225 PolarHBondContact O-N 3.37Å; N223-I225 PolarHBondContact O-N 2.85Å; N223-I225 VanDerWaalsContact O-N 3.08Å
226N44.7Very low51.7Low144 Ų14490.1 Ų90.177%0.7748%0.48SS*.  trans69.743.3161.1-66.7-6.9000119.6
227G39.5Very low49.3Very low22 Ų2296.5 Ų96.523%0.22751%0.514CS..  trans-93.6129.2148.700000109.5
228T33.3Very low47.1Very low87 Ų8797.2 Ų97.253%0.53453%0.528SS..  trans-44.6145.9-174.539.20000116.6
229C31.5Very low45.5Very low62 Ų6299.8 Ų99.842%0.41954%0.542SS..  trans-49.8130.3178.2-165.20000114.6F231C229-F231 VanDerWaalsContact C-N 3.29Å; C229-F231 PolarHBondContact O-N 3.18Å; C229-F231 VanDerWaalsContact SG-CB 3.57Å; C229-F231 VanDerWaalsContact SG-CD2 3.51Å; C229-F231 PolarHBondContact SG-N 3.46Å; C229-F231 VanDerWaalsContact SG-N 3.39Å
230P37.1Very low43.6Very low76 Ų76104.5 Ų104.549%0.49456%0.559SS.*  trans-92.358.3159.536-29.7000109.8P218P218-P230 HydrophobicContact CB-CG 4.28Å
231F30.2Very low41.6Very low176 Ų176110 Ų11077%0.77259%0.588SS**  trans-110.898.8159.6-86.3-95.5000107.4C229C229-F231 VanDerWaalsContact C-N 3.29Å; C229-F231 PolarHBondContact O-N 3.18Å; C229-F231 VanDerWaalsContact SG-CB 3.57Å; C229-F231 VanDerWaalsContact SG-CD2 3.51Å; C229-F231 PolarHBondContact SG-N 3.46Å; C229-F231 VanDerWaalsContact SG-N 3.39Å
232M28.7Very low40Very low164 Ų164111.7 Ų111.781%0.80860%0.598SS**  177.5119.3126.1-94.5179.574.400108.5V234M232-V234 VanDerWaalsContact C-N 3.31Å; M232-V234 HydrophobicContact CE-CG2 4.43Å; M232-V234 PolarHBondContact O-N 3.3Å
233V32.1Very low38.8Very low148 Ų148113.8 Ų113.890%0.89761%0.605SS**  trans-59.594165177.40000107.5
234V35.2Very low37.8Very low104 Ų104113.2 Ų113.263%0.6360%0.601SS**  trans-123113.9160-175.10000106.7M232 S236M232-V234 VanDerWaalsContact C-N 3.31Å; M232-V234 HydrophobicContact CE-CG2 4.43Å; M232-V234 PolarHBondContact O-N 3.3Å; V234-S236 PolarHBondContact O-N 3Å
235R34.6Very low37.4Very low226 Ų226113.6 Ų113.685%0.85361%0.607SS**  trans-44.4131.3172.6-78.2171157.3165-7110
236S35.5Very low37.6Very low102 Ų102109.7 Ų109.771%0.71359%0.586SS**SBendtrans76.8111.4162-50.40000116.4V234V234-S236 PolarHBondContact O-N 3Å
237I33Very low38.3Very low164 Ų164103.4 Ų103.484%0.84155%0.553SS**SBendtrans93.1-22.4156.9-59167.8000119V239I237-V239 PolarHBondContact O-N 3.27Å
238S32.9Very low39.4Very low75 Ų75105.3 Ų105.352%0.52456%0.556SS.*THydrogen-bonded Turntrans-86.711.8-175.8-49.80000117.2F240S238-F240 VanDerWaalsContact C-N 3.28Å; S238-F240 PolarHBondContact O-N 3.47Å
239V35.9Very low41Very low106 Ų106104.5 Ų104.564%0.64255%0.548SS*.THydrogen-bonded Turntrans-71.3-21.9-177.1-178.60000112.5I237 F243I237-V239 PolarHBondContact O-N 3.27Å; V239-F243 HydrophobicContact CG1-CD2 4.45Å; V239-F243 HydrophobicContact CG1-CE2 3.86Å; V239-F243 WeakPolarHBondContact O-CD2 3.41Å
240F34.6Very low42.7Very low196 Ų196103.8 Ų103.886%0.8654%0.542SS*.THydrogen-bonded Turntrans-83.3-25.6-173.2-126.2-91.4000114.8S238S238-F240 VanDerWaalsContact C-N 3.28Å; S238-F240 PolarHBondContact O-N 3.47Å
241L33.2Very low44.3Very low116 Ų116100.3 Ų100.361%0.60752%0.519SS*.THydrogen-bonded Turntrans-89-17.7-174.5-84.3161.3000114.3L244L241-L244 WeakPolarHBondContact O-CD1 3.47Å
242L36.2Very low46.1Very low86 Ų8693.4 Ų93.445%0.4549%0.491SS..SBendtrans-97.4-5.4-171.4-79.7156.5000115L244L242-L244 PolarHBondContact O-N 2.78Å
243F40.1Very low47.8Very low128 Ų12885.7 Ų85.756%0.56145%0.454SS*.  trans-85.522.5172.3-77.8-74.6000113.7V239 G245V239-F243 HydrophobicContact CG1-CD2 4.45Å; V239-F243 HydrophobicContact CG1-CE2 3.86Å; V239-F243 WeakPolarHBondContact O-CD2 3.41Å; F243-G245 PolarHBondContact O-N 2.66Å
244L45.1Very low49.3Very low86 Ų8680.1 Ų80.145%0.4543%0.426SS..  trans-70.374.6173.9-70.6168.6000110.2L241 L242 H248L241-L244 WeakPolarHBondContact O-CD1 3.47Å; L242-L244 PolarHBondContact O-N 2.78Å; L244-H248 HydrophobicContact CD2-CB 3.98Å
245G54.7Low50.6Low17 Ų1776.5 Ų76.518%0.17540%0.402CS..  trans-70.3164.616800000111.1F243 S247 H248F243-G245 PolarHBondContact O-N 2.66Å; G245-S247 PolarHBondContact O-N 3.47Å; G245-H248 PolarHBondContact O-N 3.13Å
246R61.2Low51.8Low18 Ų1868 Ų687%0.06838%0.375CS..THydrogen-bonded Turntrans-47.1-27.8177.2-174.8177.5174-159.2-9114.7H248 L249 F263 R265 F273 L302R246-H248 VanDerWaalsContact C-N 3.29Å; R246-H248 PolarHBondContact O-N 2.83Å; R246-L249 PolarHBondContact O-N 3.24Å; R246-F263 HydrophobicContact CB-CZ 4.39Å; R246-F263 HydrophobicContact CG-CE1 3.99Å; R246-F263 HydrophobicContact CG-CE2 4.36Å; R246-F263 HydrophobicContact CG-CZ 3.75Å; R246-F263 PolarHBondContact NE-O 3.32Å; R246-F263 VanDerWaalsContact NH2-C 3.32Å; R246-F263 PolarHBondContact NH2-O 2.9Å; R246-R265 PolarHBondContact NH2-O 2.88Å; R246-F273 HydrophobicContact CB-CE2 4.31Å; R246-F273 HydrophobicContact CG-CD2 4.48Å; R246-F273 HydrophobicContact CG-CE1 4.06Å; R246-F273 HydrophobicContact CG-CE2 3.9Å; R246-F273 HydrophobicContact CG-CZ 3.68Å; R246-F273 VanDerWaalsContact NE-CE1 3.33Å; R246-L302 HydrophobicContact CB-CD2 4.34Å
247S60.9Low52.9Low12 Ų1265.9 Ų65.98%0.08437%0.369CS..THydrogen-bonded Turntrans-68.6-20.217747.50000115G245 Q300G245-S247 PolarHBondContact O-N 3.47Å; S247-Q300 WeakPolarHBondContact CB-O 3.47Å; S247-Q300 PolarHBondContact OG-O 2.76Å
248H62.3Low54Low63 Ų6362.7 Ų62.729%0.29235%0.354SS..THydrogen-bonded Turntrans-99.6-12.4177.9-62.1-92.3000113.3L244 G245 R246 L298L244-H248 HydrophobicContact CD2-CB 3.98Å; G245-H248 PolarHBondContact O-N 3.13Å; R246-H248 VanDerWaalsContact C-N 3.29Å; R246-H248 PolarHBondContact O-N 2.83Å; H248-L298 PolarHBondContact CE1-O 3.43Å; H248-L298 PolarHBondContact ND1-O 2.81Å
249L66.9Low55.2Low69 Ų6966.7 Ų66.736%0.36136%0.358SS..  trans-75.5144175.4-60.5176.4000108.3R246 F263 W264R246-L249 PolarHBondContact O-N 3.24Å; L249-F263 HydrophobicContact CD1-CE1 4.21Å; L249-F263 HydrophobicContact CD1-CZ 3.96Å; L249-W264 HydrophobicContact CB-CH2 3.42Å; L249-W264 VanDerWaalsContact CB-CH2 3.42Å; L249-W264 HydrophobicContact CB-CZ2 4.41Å; L249-W264 HydrophobicContact CB-CZ3 3.98Å; L249-W264 WeakPolarHBondContact O-CH2 3.23Å; L249-W264 WeakPolarHBondContact O-CZ3 3.39Å
250T66.2Low56.4Low48 Ų4861.7 Ų61.729%0.29433%0.328SS..  trans-121.5129.7-179.654.30000109.1
251P70.4Confident58.1Low3 Ų355.6 Ų55.62%0.01930%0.304CS..  trans-75.4149.9-178.529.6-35.9000112.1V253 F260 W264 L309 V313P251-V253 VanDerWaalsContact C-N 3.34Å; P251-V253 HydrophobicContact CG-CG2 4.03Å; P251-V253 PolarHBondContact O-N 3.45Å; P251-V253 VanDerWaalsContact O-N 3.08Å; P251-F260 HydrophobicContact CB-CD2 3.27Å; P251-F260 HydrophobicContact CB-CE2 3.61Å; P251-F260 HydrophobicContact CB-CG 4.39Å; P251-F260 HydrophobicContact CG-CD2 3.92Å; P251-F260 HydrophobicContact CG-CE2 3.72Å; P251-W264 HydrophobicContact CB-CD2 3.89Å; P251-W264 HydrophobicContact CB-CE3 4.44Å; P251-W264 HydrophobicContact CB-CG 4.25Å; P251-W264 HydrophobicContact CB-CH2 4.36Å; P251-W264 HydrophobicContact CB-CZ2 3.86Å; P251-W264 HydrophobicContact CG-CD2 4.27Å; P251-W264 HydrophobicContact CG-CE3 4.41Å; P251-L309 HydrophobicContact CG-CD1 3.59Å; P251-V313 HydrophobicContact CG-CG2 4.16Å
252V68.6Low59.8Low31 Ų3153.5 Ų53.519%0.18830%0.303CS..  trans-80.187.7161.1-163.90000108.3G254 H255 F1095 L1121V252-G254 PolarHBondContact O-N 3.02Å; V252-H255 PolarHBondContact O-N 3Å; V252-F1095 HydrophobicContact CG2-CE1 4.2Å; V252-F1095 HydrophobicContact CG2-CZ 4.25Å; V252-L1121 HydrophobicContact CG2-CD2 4.5Å
253V65.1Low61.5Low2 Ų252.1 Ų52.11%0.01229%0.294CS..THydrogen-bonded Turntrans-55.5-27.9-169.7-171.60000113.4P251 H255 V256 V313 H316 A322P251-V253 VanDerWaalsContact C-N 3.34Å; P251-V253 HydrophobicContact CG-CG2 4.03Å; P251-V253 PolarHBondContact O-N 3.45Å; P251-V253 VanDerWaalsContact O-N 3.08Å; V253-H255 PolarHBondContact O-N 3.33Å; V253-V256 WeakPolarHBondContact O-CG2 3.35Å; V253-V313 HydrophobicContact CG1-CG1 4.29Å; V253-V313 HydrophobicContact CG2-CG2 4.07Å; V253-H316 HydrophobicContact CB-CB 3.99Å; V253-H316 HydrophobicContact CG1-CB 3.61Å; V253-H316 HydrophobicContact CG2-CB 4.39Å; V253-A322 HydrophobicContact CG1-CB 3.54Å
254G62.4Low63.3Low31 Ų3147 Ų4732%0.3227%0.271SS..THydrogen-bonded Turntrans-67.9-12.2177.100000115.8V252V252-G254 PolarHBondContact O-N 3.02Å
255H62.6Low65.1Low28 Ų2848.4 Ų48.413%0.1327%0.27CS..  trans-115.758-177-65.4-83.1000112.9V252 V253 Y259 F260 H1122V252-H255 PolarHBondContact O-N 3Å; V253-H255 PolarHBondContact O-N 3.33Å; H255-Y259 HydrophobicContact CB-CD2 3.82Å; H255-Y259 PolarHBondContact O-N 3.05Å; H255-F260 PolarHBondContact O-N 3.48Å; H255-H1122 AromaticContact CE1-CE1 3.79Å; H255-H1122 AromaticContact NE2-CE1 3.59Å
256V59.9Low66.5Low47 Ų4747.7 Ų47.729%0.28526%0.262SS..BIsolated β-bridgetrans-61135.9173.1-172.70000110.9V253 L258 F260 D321 A322 T325V253-V256 WeakPolarHBondContact O-CG2 3.35Å; V256-L258 PolarHBondContact O-N 3.35Å; V256-F260 HydrophobicContact CG1-CD1 4.27Å; V256-F260 HydrophobicContact CG2-CD1 4Å; V256-D321 HydrophobicContact CB-CB 4.18Å; V256-D321 HydrophobicContact CG1-CB 4Å; V256-D321 HydrophobicContact CG2-CB 4.07Å; V256-A322 HydrophobicContact CG2-CB 3.87Å; V256-T325 WeakPolarHBondContact CG1-OG1 3.4Å
257G58.5Low67.5Low57 Ų5751.5 Ų51.559%0.58828%0.281SS*.THydrogen-bonded Turntrans93.8-52.4-179.700000114.1F260G257-F260 PolarHBondContact N-O 3.49Å
258L57.3Low68.4Low98 Ų9851.9 Ų51.951%0.51328%0.283SS..THydrogen-bonded Turntrans-73-53.6179.8-77.9164.3000112.1V256V256-L258 PolarHBondContact O-N 3.35Å
259Y57.7Low69.2Low159 Ų15952.8 Ų52.862%0.62429%0.287SS*.THydrogen-bonded Turntrans-118.8-36.2-175.5-57.7-69.5000112.1H255 N261H255-Y259 HydrophobicContact CB-CD2 3.82Å; H255-Y259 PolarHBondContact O-N 3.05Å; Y259-N261 PolarHBondContact O-N 3.31Å
260F61.4Low69.8Low1 Ų151 Ų510%0.00428%0.279CS..BIsolated β-bridgetrans-89.194.4173.9-171.9-98000109.9P251 H255 V256 G257 W264 V313 A322 T325 L326P251-F260 HydrophobicContact CB-CD2 3.27Å; P251-F260 HydrophobicContact CB-CE2 3.61Å; P251-F260 HydrophobicContact CB-CG 4.39Å; P251-F260 HydrophobicContact CG-CD2 3.92Å; P251-F260 HydrophobicContact CG-CE2 3.72Å; H255-F260 PolarHBondContact O-N 3.48Å; V256-F260 HydrophobicContact CG1-CD1 4.27Å; V256-F260 HydrophobicContact CG2-CD1 4Å; G257-F260 PolarHBondContact N-O 3.49Å; F260-W264 HydrophobicContact CD2-CB 3.83Å; F260-W264 AromaticContact CD2-CD1 3.18Å; F260-W264 HydrophobicContact CD2-CD2 4.29Å; F260-W264 AromaticContact CD2-CG 3.47Å; F260-W264 HydrophobicContact CD2-CG 3.47Å; F260-W264 VanDerWaalsContact CD2-CG 3.47Å; F260-W264 AromaticContact CD2-NE1 3.79Å; F260-W264 HydrophobicContact CE2-CB 3.24Å; F260-W264 AromaticContact CE2-CD1 3.58Å; F260-W264 HydrophobicContact CE2-CD2 4.17Å; F260-W264 AromaticContact CE2-CG 3.34Å; F260-W264 HydrophobicContact CE2-CG 3.34Å; F260-W264 HydrophobicContact CZ-CB 3.78Å; F260-W264 HydrophobicContact CZ-CG 4.31Å; F260-V313 HydrophobicContact CE2-CG2 4.21Å; F260-V313 HydrophobicContact CZ-CG2 4.11Å; F260-A322 HydrophobicContact CD1-CB 4.14Å; F260-A322 HydrophobicContact CE1-CB 3.8Å; F260-A322 WeakPolarHBondContact CE1-O 3.24Å; F260-A322 HydrophobicContact CZ-CB 4.4Å; F260-T325 HydrophobicContact CD1-CG2 4.07Å; F260-T325 HydrophobicContact CE1-CG2 4.01Å; F260-L326 HydrophobicContact CE1-CB 4.47Å; F260-L326 HydrophobicContact CZ-CB 4.02Å; F260-L326 HydrophobicContact CZ-CD1 4.12Å
261N68.5Low70.4Confident68 Ų6848.7 Ų48.736%0.36427%0.265SS..SBendtrans-129.5-161.8-173.764.435.3000111.2Y259 F263 W264Y259-N261 PolarHBondContact O-N 3.31Å; N261-F263 PolarHBondContact O-N 3.01Å; N261-F263 WeakPolarHBondContact OD1-CA 3.32Å; N261-F263 WeakPolarHBondContact OD1-CB 3.47Å; N261-F263 PolarHBondContact OD1-N 2.99Å; N261-W264 PolarHBondContact O-N 3.01Å
262A69.5Low70.9Confident71 Ų7153 Ų5359%0.58728%0.281SS*.G310 helixtrans-56.8-17.2178.600000114.4W264 R265A262-W264 PolarHBondContact O-N 2.86Å; A262-R265 WeakPolarHBondContact O-CB 3.35Å; A262-R265 PolarHBondContact O-N 2.79Å
263F72.5Confident71.3Confident57 Ų5751.8 Ų51.825%0.2527%0.274CS..G310 helixtrans-58.3-23.4170.2-178.8-92.9000113.2R246 L249 N261R246-F263 HydrophobicContact CB-CZ 4.39Å; R246-F263 HydrophobicContact CG-CE1 3.99Å; R246-F263 HydrophobicContact CG-CE2 4.36Å; R246-F263 HydrophobicContact CG-CZ 3.75Å; R246-F263 PolarHBondContact NE-O 3.32Å; R246-F263 VanDerWaalsContact NH2-C 3.32Å; R246-F263 PolarHBondContact NH2-O 2.9Å; L249-F263 HydrophobicContact CD1-CE1 4.21Å; L249-F263 HydrophobicContact CD1-CZ 3.96Å; N261-F263 PolarHBondContact O-N 3.01Å; N261-F263 WeakPolarHBondContact OD1-CA 3.32Å; N261-F263 WeakPolarHBondContact OD1-CB 3.47Å; N261-F263 PolarHBondContact OD1-N 2.99Å
264W78.2Confident71.8Confident20 Ų2055.3 Ų55.38%0.07630%0.296CS..G310 helixtrans-97.8-4.6176.7-61.399.4000112.8L249 P251 F260 N261 A262 L266 L309 L326L249-W264 HydrophobicContact CB-CH2 3.42Å; L249-W264 VanDerWaalsContact CB-CH2 3.42Å; L249-W264 HydrophobicContact CB-CZ2 4.41Å; L249-W264 HydrophobicContact CB-CZ3 3.98Å; L249-W264 WeakPolarHBondContact O-CH2 3.23Å; L249-W264 WeakPolarHBondContact O-CZ3 3.39Å; P251-W264 HydrophobicContact CB-CD2 3.89Å; P251-W264 HydrophobicContact CB-CE3 4.44Å; P251-W264 HydrophobicContact CB-CG 4.25Å; P251-W264 HydrophobicContact CB-CH2 4.36Å; P251-W264 HydrophobicContact CB-CZ2 3.86Å; P251-W264 HydrophobicContact CG-CD2 4.27Å; P251-W264 HydrophobicContact CG-CE3 4.41Å; F260-W264 HydrophobicContact CD2-CB 3.83Å; F260-W264 AromaticContact CD2-CD1 3.18Å; F260-W264 HydrophobicContact CD2-CD2 4.29Å; F260-W264 AromaticContact CD2-CG 3.47Å; F260-W264 HydrophobicContact CD2-CG 3.47Å; F260-W264 VanDerWaalsContact CD2-CG 3.47Å; F260-W264 AromaticContact CD2-NE1 3.79Å; F260-W264 HydrophobicContact CE2-CB 3.24Å; F260-W264 AromaticContact CE2-CD1 3.58Å; F260-W264 HydrophobicContact CE2-CD2 4.17Å; F260-W264 AromaticContact CE2-CG 3.34Å; F260-W264 HydrophobicContact CE2-CG 3.34Å; F260-W264 HydrophobicContact CZ-CB 3.78Å; F260-W264 HydrophobicContact CZ-CG 4.31Å; N261-W264 PolarHBondContact O-N 3.01Å; A262-W264 PolarHBondContact O-N 2.86Å; W264-L266 PolarHBondContact O-N 3.42Å; W264-L309 HydrophobicContact CD2-CD1 4.4Å; W264-L309 HydrophobicContact CE3-CD1 3.61Å; W264-L309 HydrophobicContact CE3-CD2 3.93Å; W264-L309 HydrophobicContact CE3-CG 4.45Å; W264-L309 HydrophobicContact CZ3-CD1 4.02Å; W264-L326 HydrophobicContact CB-CD1 4.34Å; W264-L326 WeakPolarHBondContact O-CD1 3.48Å
265R82.6Confident72.2Confident117 Ų11756 Ų5644%0.44229%0.292SS..  trans-61130.8-170.7-170.7178.5178.4172.33.6112.4R246 A262 P274 L326R246-R265 PolarHBondContact NH2-O 2.88Å; A262-R265 WeakPolarHBondContact O-CB 3.35Å; A262-R265 PolarHBondContact O-N 2.79Å; R265-P274 VanDerWaalsContact O-CD 3.23Å; R265-P274 WeakPolarHBondContact O-CD 3.46Å; R265-L326 CarbonylContact C-O 3.34Å; R265-L326 VanDerWaalsContact CA-O 3.28Å; R265-L326 WeakPolarHBondContact CA-O 3.48Å
266L84.3Confident72.3Confident1 Ų163.3 Ų63.31%0.00532%0.324CS..  trans-107.1152.5173.8-58.1178.4000110.3W264 P268 L271 R272 F273 Q306 L309 V310 L326 F327W264-L266 PolarHBondContact O-N 3.42Å; L266-P268 WeakPolarHBondContact O-CD 3.26Å; L266-L271 HydrophobicContact CD1-CB 4.48Å; L266-R272 CarbonylContact C-O 3.56Å; L266-R272 WeakPolarHBondContact CA-O 3.38Å; L266-F273 HydrophobicContact CD2-CD1 3.48Å; L266-F273 VanDerWaalsContact CD2-CD1 3.48Å; L266-F273 HydrophobicContact CD2-CE1 3.49Å; L266-F273 VanDerWaalsContact CD2-CE1 3.49Å; L266-F273 HydrophobicContact CD2-CG 4.11Å; L266-F273 HydrophobicContact CD2-CZ 4.14Å; L266-Q306 HydrophobicContact CD1-CB 4.05Å; L266-Q306 HydrophobicContact CD2-CB 3.88Å; L266-Q306 HydrophobicContact CD2-CG 3.62Å; L266-L309 HydrophobicContact CD1-CD2 4.24Å; L266-L309 HydrophobicContact CD2-CD2 4.17Å; L266-L309 HydrophobicContact CG-CD2 4.31Å; L266-V310 HydrophobicContact CD1-CG2 3.63Å; L266-L326 HydrophobicContact CD1-CD1 3.94Å; L266-L326 HydrophobicContact CD1-CD2 4.44Å; L266-L326 HydrophobicContact CD1-CG 4.17Å; L266-L326 HydrophobicContact CG-CD1 3.95Å; L266-L326 HydrophobicContact CG-CG 4.38Å; L266-L326 PolarHBondContact N-O 3.43Å; L266-F327 HydrophobicContact CB-CD1 4.44Å; L266-F327 HydrophobicContact CD1-CE1 4.33Å
267E81.6Confident72.5Confident98 Ų9864.2 Ų64.246%0.45834%0.343SS..  trans-71121.6166.4-177.8177.8-13800109.2Q269 T270 L271 R272E267-Q269 VanDerWaalsContact C-N 3.28Å; E267-Q269 PolarHBondContact O-N 3.25Å; E267-T270 PolarHBondContact O-N 3.4Å; E267-T270 WeakPolarHBondContact OE2-CG2 3.03Å; E267-T270 PolarHBondContact OE2-OG1 2.92Å; E267-L271 VanDerWaalsContact O-CA 3.27Å; E267-L271 WeakPolarHBondContact O-CA 2.95Å; E267-L271 PolarHBondContact O-N 3.07Å; E267-R272 PolarHBondContact N-O 3Å
268P79.3Confident73Confident21 Ų2163.5 Ų63.514%0.13633%0.329CS..THydrogen-bonded Turntrans-62.2-31.8-168.8-25.334.2000114.8L266 F327 M335 L337L266-P268 WeakPolarHBondContact O-CD 3.26Å; P268-F327 HydrophobicContact CG-CB 4.37Å; P268-F327 VanDerWaalsContact CG-O 3.26Å; P268-F327 WeakPolarHBondContact CG-O 3.13Å; P268-M335 HydrophobicContact CB-SD 3.83Å; P268-M335 HydrophobicContact CG-CE 4.49Å; P268-M335 HydrophobicContact CG-SD 4.25Å; P268-L337 HydrophobicContact CB-CD2 3.41Å; P268-L337 VanDerWaalsContact CB-CD2 3.41Å
269Q80.1Confident73.8Confident81 Ų8159.7 Ų59.738%0.37931%0.309SS..THydrogen-bonded Turntrans-85.2-15.3-175.3-64.7-59.1-24.700113.9E267 M335 Q336 F339E267-Q269 VanDerWaalsContact C-N 3.28Å; E267-Q269 PolarHBondContact O-N 3.25Å; Q269-M335 PolarHBondContact NE2-SD 3.4Å; Q269-Q336 PolarHBondContact NE2-O 2.94Å; Q269-Q336 VanDerWaalsContact NE2-O 3.11Å; Q269-F339 WeakPolarHBondContact O-CD2 3.43Å; Q269-F339 WeakPolarHBondContact O-CE2 3.24Å
270T79.6Confident74.4Confident32 Ų3252.4 Ų52.420%0.19628%0.281CS..THydrogen-bonded Turntrans-123.2-13.9-179.163.50000112.4E267 R272 P305E267-T270 PolarHBondContact O-N 3.4Å; E267-T270 WeakPolarHBondContact OE2-CG2 3.03Å; E267-T270 PolarHBondContact OE2-OG1 2.92Å; T270-R272 PolarHBondContact O-N 3.35Å; T270-R272 WeakPolarHBondContact OG1-CB 3.26Å; T270-R272 PolarHBondContact OG1-N 3.46Å; T270-P305 WeakPolarHBondContact O-CB 3.46Å; T270-P305 WeakPolarHBondContact O-CG 3.36Å
271L78.8Confident74.8Confident0 Ų053.2 Ų53.20%028%0.284CS..  trans53.325.1-169.4-50.8178.5000113L266 E267 P305 Q306 V310 F327 F339 V343L266-L271 HydrophobicContact CD1-CB 4.48Å; E267-L271 VanDerWaalsContact O-CA 3.27Å; E267-L271 WeakPolarHBondContact O-CA 2.95Å; E267-L271 PolarHBondContact O-N 3.07Å; L271-P305 HydrophobicContact CB-CB 4.16Å; L271-P305 WeakPolarHBondContact O-CA 3.39Å; L271-Q306 PolarHBondContact O-N 2.85Å; L271-V310 HydrophobicContact CD1-CG2 4.37Å; L271-F327 HydrophobicContact CD2-CD1 4.2Å; L271-F327 HydrophobicContact CD2-CE1 3.54Å; L271-F327 HydrophobicContact CD2-CZ 4.1Å; L271-F339 HydrophobicContact CD1-CB 3.61Å; L271-F339 HydrophobicContact CG-CB 3.81Å; L271-V343 HydrophobicContact CD1-CG2 3.66Å
272R79.7Confident74.6Confident92 Ų9251 Ų5135%0.34727%0.274SS..  trans-96.7159.2178.5-66.7168.6-175.5-177-5.6110.6L266 E267 T270 M303L266-R272 CarbonylContact C-O 3.56Å; L266-R272 WeakPolarHBondContact CA-O 3.38Å; E267-R272 PolarHBondContact N-O 3Å; T270-R272 PolarHBondContact O-N 3.35Å; T270-R272 WeakPolarHBondContact OG1-CB 3.26Å; T270-R272 PolarHBondContact OG1-N 3.46Å; R272-M303 WeakPolarHBondContact CD-O 3.48Å; R272-M303 VanDerWaalsContact CZ-O 3.28Å; R272-M303 PolarHBondContact NE-O 3.15Å
273F77.9Confident74.1Confident7 Ų751.7 Ų51.73%0.03127%0.265CS..  trans-67.8137168.8-70.6-58.2000110.3R246 L266 L275 L302 Q306 L309R246-F273 HydrophobicContact CB-CE2 4.31Å; R246-F273 HydrophobicContact CG-CD2 4.48Å; R246-F273 HydrophobicContact CG-CE1 4.06Å; R246-F273 HydrophobicContact CG-CE2 3.9Å; R246-F273 HydrophobicContact CG-CZ 3.68Å; R246-F273 VanDerWaalsContact NE-CE1 3.33Å; L266-F273 HydrophobicContact CD2-CD1 3.48Å; L266-F273 VanDerWaalsContact CD2-CD1 3.48Å; L266-F273 HydrophobicContact CD2-CE1 3.49Å; L266-F273 VanDerWaalsContact CD2-CE1 3.49Å; L266-F273 HydrophobicContact CD2-CG 4.11Å; L266-F273 HydrophobicContact CD2-CZ 4.14Å; F273-L275 PolarHBondContact O-N 3.48Å; F273-L275 VanDerWaalsContact O-N 3.09Å; F273-L302 HydrophobicContact CD2-CD2 3.96Å; F273-L302 HydrophobicContact CE2-CD2 4.5Å; F273-Q306 HydrophobicContact CD2-CG 3.78Å; F273-Q306 HydrophobicContact CE1-CG 4.48Å; F273-Q306 HydrophobicContact CE2-CG 3.54Å; F273-Q306 HydrophobicContact CG-CG 4.37Å; F273-Q306 HydrophobicContact CZ-CG 3.92Å; F273-L309 HydrophobicContact CE1-CD2 4.03Å; F273-L309 HydrophobicContact CZ-CD2 3.92Å
274P74.7Confident72.9Confident76 Ų7653.1 Ų53.149%0.49428%0.279SS..  trans-69.7108.2173.627.8-32.6000109.3R265R265-P274 VanDerWaalsContact O-CD 3.23Å; R265-P274 WeakPolarHBondContact O-CD 3.46Å
275L72.3Confident71.1Confident45 Ų4557.6 Ų57.624%0.23630%0.304CS..  trans-99.4135.2177.7-61.5169.2000109.7F273 F281 L302 M303F273-L275 PolarHBondContact O-N 3.48Å; F273-L275 VanDerWaalsContact O-N 3.09Å; L275-F281 HydrophobicContact CB-CE2 3.75Å; L275-F281 HydrophobicContact CB-CZ 3.97Å; L275-F281 HydrophobicContact CD1-CD1 4.42Å; L275-F281 HydrophobicContact CD1-CD2 3.78Å; L275-F281 HydrophobicContact CD1-CE1 4.44Å; L275-F281 HydrophobicContact CD1-CE2 3.82Å; L275-F281 HydrophobicContact CD1-CG 4.1Å; L275-F281 HydrophobicContact CD1-CZ 4.16Å; L275-F281 HydrophobicContact CD2-CE1 4Å; L275-F281 HydrophobicContact CD2-CE2 4.32Å; L275-F281 HydrophobicContact CD2-CZ 3.85Å; L275-F281 HydrophobicContact CG-CE2 4.17Å; L275-F281 HydrophobicContact CG-CZ 4.2Å; L275-L302 HydrophobicContact CD1-CB 4.13Å; L275-M303 HydrophobicContact CD1-SD 3.26Å; L275-M303 WeakPolarHBondContact CD1-SD 3.47Å
276K64.4Low69.1Low181 Ų18157.1 Ų57.179%0.78731%0.309SS*.  trans-87.6126.7-177.8-70.1-175.1179.3178.20111.4
277G64.3Low66.6Low67 Ų6764.3 Ų64.369%0.69135%0.347SS*.SBendtrans77.6-177.9169.600000115L279G277-L279 PolarHBondContact O-N 2.92Å
278C69Low64.3Low42 Ų4264.4 Ų64.428%0.28436%0.364SS..SBendtrans-84.730.7-178.6-58.40000112.9T188 R191T188-C278 HydrophobicContact CG2-CB 4.47Å; R191-C278 HydrophobicContact CB-CB 4.23Å; R191-C278 VanDerWaalsContact CD-O 3.3Å; R191-C278 WeakPolarHBondContact CD-O 3.34Å; R191-C278 PolarHBondContact NH1-O 3.22Å
279L73.3Confident62.1Low18 Ų1868.9 Ų68.99%0.09439%0.391CS..  trans-66.6142.4-175.3-65.2-178.9000111.5R191 F216 A220 N223 G277 F281R191-L279 VanDerWaalsContact NH1-C 3.31Å; R191-L279 PolarHBondContact NH1-O 3.16Å; F216-L279 HydrophobicContact CE1-CD2 3.87Å; A220-L279 HydrophobicContact CB-CB 3.94Å; N223-L279 HydrophobicContact CB-CD1 4.36Å; N223-L279 WeakPolarHBondContact ND2-CD1 3.5Å; G277-L279 PolarHBondContact O-N 2.92Å; L279-F281 HydrophobicContact CB-CD2 4.5Å; L279-F281 HydrophobicContact CB-CE2 3.84Å; L279-F281 HydrophobicContact CB-CZ 4.02Å; L279-F281 WeakPolarHBondContact O-CD2 3.41Å; L279-F281 PolarHBondContact O-N 3.18Å
280P70.9Confident60.2Low5 Ų570 Ų703%0.03241%0.408CS..  trans-79.394.1-177.332.4-32.4000109.6I187 V213 F216 R217 A220I187-P280 HydrophobicContact CD1-CG 4.24Å; I187-P280 HydrophobicContact CG2-CG 4.29Å; V213-P280 HydrophobicContact CG1-CB 3.72Å; V213-P280 HydrophobicContact CG1-CG 4.41Å; F216-P280 HydrophobicContact CB-CG 4.12Å; F216-P280 HydrophobicContact CD1-CG 4.03Å; R217-P280 WeakPolarHBondContact CA-O 3.46Å; R217-P280 HydrophobicContact CG-CB 4.15Å; R217-P280 HydrophobicContact CG-CG 4.45Å; R217-P280 WeakPolarHBondContact CG-O 3.36Å; A220-P280 HydrophobicContact CB-CG 4.39Å; A220-P280 WeakPolarHBondContact CB-O 3.31Å
281F69.2Low58.1Low18 Ų1872.5 Ų72.58%0.07944%0.44CS..  trans-82141.1168.7-60-80.8000109A220 L275 L279 Q283 L302 M303A220-F281 HydrophobicContact CB-CD1 4.44Å; A220-F281 HydrophobicContact CB-CE1 4.4Å; A220-F281 WeakPolarHBondContact O-CE1 3.17Å; L275-F281 HydrophobicContact CB-CE2 3.75Å; L275-F281 HydrophobicContact CB-CZ 3.97Å; L275-F281 HydrophobicContact CD1-CD1 4.42Å; L275-F281 HydrophobicContact CD1-CD2 3.78Å; L275-F281 HydrophobicContact CD1-CE1 4.44Å; L275-F281 HydrophobicContact CD1-CE2 3.82Å; L275-F281 HydrophobicContact CD1-CG 4.1Å; L275-F281 HydrophobicContact CD1-CZ 4.16Å; L275-F281 HydrophobicContact CD2-CE1 4Å; L275-F281 HydrophobicContact CD2-CE2 4.32Å; L275-F281 HydrophobicContact CD2-CZ 3.85Å; L275-F281 HydrophobicContact CG-CE2 4.17Å; L275-F281 HydrophobicContact CG-CZ 4.2Å; L279-F281 HydrophobicContact CB-CD2 4.5Å; L279-F281 HydrophobicContact CB-CE2 3.84Å; L279-F281 HydrophobicContact CB-CZ 4.02Å; L279-F281 WeakPolarHBondContact O-CD2 3.41Å; L279-F281 PolarHBondContact O-N 3.18Å; F281-Q283 PolarHBondContact O-N 3.27Å; F281-Q283 VanDerWaalsContact O-N 3.12Å; F281-L302 HydrophobicContact CD1-CD1 4.11Å; F281-M303 HydrophobicContact CB-CG 4.14Å; F281-M303 HydrophobicContact CB-SD 4.07Å; F281-M303 HydrophobicContact CD2-SD 3.96Å; F281-M303 HydrophobicContact CG-SD 4.27Å
282S64.7Low56.1Low22 Ų2281.1 Ų81.115%0.15447%0.474CS..  trans-56.9120.2177.8-63.60000110.2Q221 N301Q221-S282 PolarHBondContact NE2-OG 3.23Å; S282-N301 PolarHBondContact O-ND2 2.88Å; S282-N301 PolarHBondContact O-OD1 3.37Å
283Q57.9Low53.9Low85 Ų8583.5 Ų83.540%0.39749%0.492SS..  trans-92.788.8163.3-66.7178.3-400106.5F281 N285F281-Q283 PolarHBondContact O-N 3.27Å; F281-Q283 VanDerWaalsContact O-N 3.12Å; Q283-N285 PolarHBondContact O-N 2.91Å
284V48.2Very low51.8Low88 Ų8889 Ų8953%0.53352%0.521SS..  trans-72.884.8163.2-176.70000105.8I286 N301V284-I286 PolarHBondContact O-N 3.39Å; V284-N301 PolarHBondContact N-ND2 2.79Å; V284-N301 VanDerWaalsContact N-ND2 3.13Å
285N40.9Very low49.9Very low114 Ų11488.6 Ų88.661%0.6152%0.52SS*.  trans-68.6114.7160-78.5-25.3000105.2Q283 L287Q283-N285 PolarHBondContact O-N 2.91Å; N285-L287 VanDerWaalsContact C-N 3.25Å; N285-L287 PolarHBondContact O-N 3.24Å
286I39.3Very low48.2Very low107 Ų10789 Ų8955%0.54953%0.526SS..  trans-58.193.5174.5-61166.1000106.7V284 A288V284-I286 PolarHBondContact O-N 3.39Å; I286-A288 PolarHBondContact O-N 3.49Å; I286-A288 VanDerWaalsContact O-N 3.12Å
287L33.5Very low47Very low152 Ų15286.7 Ų86.780%0.79652%0.521SS*.  trans-65.6108.6158.5-78.6165000104.5N285 T289N285-L287 VanDerWaalsContact C-N 3.25Å; N285-L287 PolarHBondContact O-N 3.24Å; L287-T289 PolarHBondContact O-N 3.02Å; L287-T289 PolarHBondContact O-OG1 3.37Å
288A32.5Very low45.7Very low100 Ų10088.5 Ų88.583%0.82651%0.514SS*.  trans-6851.5-176.600000112.7I286I286-A288 PolarHBondContact O-N 3.49Å; I286-A288 VanDerWaalsContact O-N 3.12Å
289T32.8Very low44.5Very low115 Ų11590.1 Ų90.171%0.70652%0.523SS*.  trans-105.1111173.617.40000108.7L287L287-T289 PolarHBondContact O-N 3.02Å; L287-T289 PolarHBondContact O-OG1 3.37Å
290S40Very low43.3Very low105 Ų10591.1 Ų91.173%0.73453%0.527SS*.SBendtrans82.586.2174.277.40000117.3Y292S290-Y292 PolarHBondContact O-N 3.11Å
291G35.9Very low42.8Very low83 Ų8392 Ų9286%0.85653%0.532SS*.  56.7-10.8125.400000122.8L293G291-L293 PolarHBondContact O-N 3.45Å
292Y36.1Very low42.5Very low182 Ų18291.9 Ų91.971%0.71453%0.532SS*.  trans-98.682.8-178.7-91.1-90.8000110.7S290 I294 S295S290-Y292 PolarHBondContact O-N 3.11Å; Y292-I294 PolarHBondContact O-N 2.94Å; Y292-S295 PolarHBondContact O-N 3.14Å; Y292-S295 VanDerWaalsContact O-N 3.09Å
293L33.6Very low42.5Very low141 Ų14193.2 Ų93.274%0.73854%0.536SS*.THydrogen-bonded Turntrans-54.6-11171-104.5143.5000114.4G291 S296G291-L293 PolarHBondContact O-N 3.45Å; L293-S296 PolarHBondContact O-OG 2.92Å; L293-S296 VanDerWaalsContact O-OG 3.09Å
294I34.8Very low43.1Very low124 Ų12493.6 Ų93.664%0.63654%0.538SS*.THydrogen-bonded Turntrans-79.4-24.5178-56.2176000111.4Y292Y292-I294 PolarHBondContact O-N 2.94Å
295S34.9Very low44.3Very low66 Ų6689.6 Ų89.646%0.46251%0.514SS..Hα-helixtrans-81.9-25.6-178.488.10000113.7Y292 I297 L298 V299Y292-S295 PolarHBondContact O-N 3.14Å; Y292-S295 VanDerWaalsContact O-N 3.09Å; S295-I297 PolarHBondContact O-N 3.12Å; S295-L298 PolarHBondContact O-N 2.77Å; S295-V299 PolarHBondContact O-N 2.96Å
296S35.4Very low46Very low53 Ų5384.2 Ų84.237%0.37149%0.485SS..Hα-helixtrans-69.8-29.3-176.5510000113.6L293L293-S296 PolarHBondContact O-OG 2.92Å; L293-S296 VanDerWaalsContact O-OG 3.09Å
297I40.2Very low47.6Very low134 Ų13483.4 Ų83.469%0.68748%0.476SS*.Hα-helixtrans-83-31.9179.3-65.1173.4000111.3S295S295-I297 PolarHBondContact O-N 3.12Å
298L37.7Very low49.4Very low104 Ų10480.1 Ų80.155%0.54546%0.456SS..Hα-helixtrans-84.5-34.8-172.8-84.3160.7000113.5H248 S295 Q300H248-L298 PolarHBondContact CE1-O 3.43Å; H248-L298 PolarHBondContact ND1-O 2.81Å; S295-L298 PolarHBondContact O-N 2.77Å; L298-Q300 PolarHBondContact O-N 3.43Å
299V42.3Very low51.5Low77 Ų7775.6 Ų75.647%0.46742%0.418SS..  trans-81.864.9-177.8-167.50000111S295 N301S295-V299 PolarHBondContact O-N 2.96Å; V299-N301 PolarHBondContact O-N 3.29Å; V299-N301 VanDerWaalsContact O-N 3.07Å
300Q49.1Very low53.8Low39 Ų3970.1 Ų70.118%0.18238%0.384CS..  trans-68.3107.8167.1-84.1-170.36.600108.8S247 L298S247-Q300 WeakPolarHBondContact CB-O 3.47Å; S247-Q300 PolarHBondContact OG-O 2.76Å; L298-Q300 PolarHBondContact O-N 3.43Å
301N58.9Low55.5Low23 Ų2366.9 Ų66.912%0.12336%0.356CS..  trans-76146.9-179.5-148.9-40000110.6S282 V284 V299 M303 Q304 Q306S282-N301 PolarHBondContact O-ND2 2.88Å; S282-N301 PolarHBondContact O-OD1 3.37Å; V284-N301 PolarHBondContact N-ND2 2.79Å; V284-N301 VanDerWaalsContact N-ND2 3.13Å; V299-N301 PolarHBondContact O-N 3.29Å; V299-N301 VanDerWaalsContact O-N 3.07Å; N301-M303 PolarHBondContact O-N 2.93Å; N301-Q304 HydrophobicContact CB-CG 4.03Å; N301-Q304 PolarHBondContact O-N 3.38Å; N301-Q306 PolarHBondContact O-NE2 3.49Å
302L63.3Low57.3Low15 Ų1564.3 Ų64.38%0.07932%0.322CS..THydrogen-bonded Turntrans-56.7-26.6177.7-69.9166000112.6R246 F273 L275 F281R246-L302 HydrophobicContact CB-CD2 4.34Å; F273-L302 HydrophobicContact CD2-CD2 3.96Å; F273-L302 HydrophobicContact CE2-CD2 4.5Å; L275-L302 HydrophobicContact CD1-CB 4.13Å; F281-L302 HydrophobicContact CD1-CD1 4.11Å
303M65.9Low59.3Low50 Ų5055.7 Ų55.725%0.24629%0.288CS..THydrogen-bonded Turntrans-84.3-8.2179.4-58.6-59.7-59.400114R272 L275 F281 N301R272-M303 WeakPolarHBondContact CD-O 3.48Å; R272-M303 VanDerWaalsContact CZ-O 3.28Å; R272-M303 PolarHBondContact NE-O 3.15Å; L275-M303 HydrophobicContact CD1-SD 3.26Å; L275-M303 WeakPolarHBondContact CD1-SD 3.47Å; F281-M303 HydrophobicContact CB-CG 4.14Å; F281-M303 HydrophobicContact CB-SD 4.07Å; F281-M303 HydrophobicContact CD2-SD 3.96Å; F281-M303 HydrophobicContact CG-SD 4.27Å; N301-M303 PolarHBondContact O-N 2.93Å
304Q70.1Confident61.5Low93 Ų9349 Ų4944%0.43525%0.253SS..SBendtrans-97.6154.4-179-68.9-64.8-14.900111.2N301 Q306N301-Q304 HydrophobicContact CB-CG 4.03Å; N301-Q304 PolarHBondContact O-N 3.38Å; Q304-Q306 PolarHBondContact O-N 3.13Å; Q304-Q306 PolarHBondContact O-NE2 2.83Å
305P73.6Confident63.4Low5 Ų545 Ų453%0.03223%0.232CC..  trans-54.6133.1170.3-2233.1000110.6T270 L271 Y307T270-P305 WeakPolarHBondContact O-CB 3.46Å; T270-P305 WeakPolarHBondContact O-CG 3.36Å; L271-P305 HydrophobicContact CB-CB 4.16Å; L271-P305 WeakPolarHBondContact O-CA 3.39Å; P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 HydrophobicContact CB-CD2 4.14Å; P305-Y307 HydrophobicContact CB-CE1 4.28Å; P305-Y307 HydrophobicContact CB-CE2 3.65Å; P305-Y307 HydrophobicContact CG-CE2 4.04Å; P305-Y307 VanDerWaalsContact O-CD2 3.29Å; P305-Y307 WeakPolarHBondContact O-CD2 3.23Å; P305-Y307 PolarHBondContact O-N 2.95Å
306Q76.5Confident65.1Low1 Ų142.2 Ų42.21%0.00521%0.212CC..  trans-8565.3-173.8-59.3-61.7-58.600111.1L266 L271 F273 N301 Q304 H308 L309 V310L266-Q306 HydrophobicContact CD1-CB 4.05Å; L266-Q306 HydrophobicContact CD2-CB 3.88Å; L266-Q306 HydrophobicContact CD2-CG 3.62Å; L271-Q306 PolarHBondContact O-N 2.85Å; F273-Q306 HydrophobicContact CD2-CG 3.78Å; F273-Q306 HydrophobicContact CE1-CG 4.48Å; F273-Q306 HydrophobicContact CE2-CG 3.54Å; F273-Q306 HydrophobicContact CG-CG 4.37Å; F273-Q306 HydrophobicContact CZ-CG 3.92Å; N301-Q306 PolarHBondContact O-NE2 3.49Å; Q304-Q306 PolarHBondContact O-N 3.13Å; Q304-Q306 PolarHBondContact O-NE2 2.83Å; Q306-H308 VanDerWaalsContact C-N 3.28Å; Q306-H308 PolarHBondContact O-N 3.35Å; Q306-L309 HydrophobicContact CB-CB 4.08Å; Q306-L309 HydrophobicContact CB-CD2 4.45Å; Q306-L309 PolarHBondContact O-N 2.9Å; Q306-V310 WeakPolarHBondContact O-CG2 3.47Å; Q306-V310 PolarHBondContact O-N 3.33Å
307Y72.5Confident66.3Low89 Ų8941.9 Ų41.935%0.34921%0.213SC..Hα-helixtrans-57.1-38.7-174.6-67-73.6000113.2P305 V310 Y311 V343P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 HydrophobicContact CB-CD2 4.14Å; P305-Y307 HydrophobicContact CB-CE1 4.28Å; P305-Y307 HydrophobicContact CB-CE2 3.65Å; P305-Y307 HydrophobicContact CG-CE2 4.04Å; P305-Y307 VanDerWaalsContact O-CD2 3.29Å; P305-Y307 WeakPolarHBondContact O-CD2 3.23Å; P305-Y307 PolarHBondContact O-N 2.95Å; Y307-V310 PolarHBondContact O-N 2.67Å; Y307-Y311 VanDerWaalsContact O-CB 3.27Å; Y307-Y311 WeakPolarHBondContact O-CB 3.44Å; Y307-Y311 PolarHBondContact O-N 3.42Å; Y307-V343 HydrophobicContact CD1-CB 4.47Å; Y307-V343 HydrophobicContact CD1-CG1 4.47Å; Y307-V343 HydrophobicContact CD1-CG2 3.55Å; Y307-V343 HydrophobicContact CE1-CG2 3.72Å
308H71.5Confident67.1Low83 Ų8338.2 Ų38.238%0.38420%0.197SC..Hα-helixtrans-69-42.9-177.3-175.869.7000111.4Q306 Y311 Q312Q306-H308 VanDerWaalsContact C-N 3.28Å; Q306-H308 PolarHBondContact O-N 3.35Å; H308-Y311 WeakPolarHBondContact O-CB 3.41Å; H308-Y311 PolarHBondContact O-N 3.43Å; H308-Q312 PolarHBondContact NE2-NE2 3.29Å; H308-Q312 WeakPolarHBondContact O-CG 3.02Å; H308-Q312 PolarHBondContact O-N 3.06Å
309L76.9Confident68.3Low5 Ų533.8 Ų33.83%0.02617%0.173CC..Hα-helixtrans-61.5-46.3174.7178.360.9000111.5P251 W264 L266 F273 Q306 Q312 V313 L326P251-L309 HydrophobicContact CG-CD1 3.59Å; W264-L309 HydrophobicContact CD2-CD1 4.4Å; W264-L309 HydrophobicContact CE3-CD1 3.61Å; W264-L309 HydrophobicContact CE3-CD2 3.93Å; W264-L309 HydrophobicContact CE3-CG 4.45Å; W264-L309 HydrophobicContact CZ3-CD1 4.02Å; L266-L309 HydrophobicContact CD1-CD2 4.24Å; L266-L309 HydrophobicContact CD2-CD2 4.17Å; L266-L309 HydrophobicContact CG-CD2 4.31Å; F273-L309 HydrophobicContact CE1-CD2 4.03Å; F273-L309 HydrophobicContact CZ-CD2 3.92Å; Q306-L309 HydrophobicContact CB-CB 4.08Å; Q306-L309 HydrophobicContact CB-CD2 4.45Å; Q306-L309 PolarHBondContact O-N 2.9Å; L309-Q312 PolarHBondContact O-N 3.04Å; L309-V313 HydrophobicContact CD1-CG2 4.32Å; L309-V313 WeakPolarHBondContact O-CG2 3.29Å; L309-V313 PolarHBondContact O-N 3.49Å; L309-V313 VanDerWaalsContact O-N 3.08Å; L309-L326 HydrophobicContact CD2-CD1 3.84Å; L309-L326 HydrophobicContact CG-CD1 3.99Å
310V79.5Confident69.4Low0 Ų034.2 Ų34.20%017%0.166CC..Hα-helixtrans-62.8-43.6178177.20000110.7L266 L271 Q306 Y307 Q312 V313 F314 L326 F327 L340 V343L266-V310 HydrophobicContact CD1-CG2 3.63Å; L271-V310 HydrophobicContact CD1-CG2 4.37Å; Q306-V310 WeakPolarHBondContact O-CG2 3.47Å; Q306-V310 PolarHBondContact O-N 3.33Å; Y307-V310 PolarHBondContact O-N 2.67Å; V310-Q312 PolarHBondContact O-N 3.13Å; V310-V313 PolarHBondContact O-N 2.9Å; V310-F314 WeakPolarHBondContact O-CB 3.28Å; V310-F314 PolarHBondContact O-N 3.28Å; V310-L326 HydrophobicContact CG2-CD2 4.31Å; V310-F327 HydrophobicContact CG1-CZ 4.35Å; V310-F327 HydrophobicContact CG2-CE1 4.31Å; V310-F327 HydrophobicContact CG2-CZ 4.41Å; V310-L340 HydrophobicContact CG1-CD1 3.76Å; V310-V343 HydrophobicContact CB-CG1 4.43Å; V310-V343 HydrophobicContact CG1-CB 4.45Å; V310-V343 HydrophobicContact CG1-CG1 3.92Å; V310-V343 HydrophobicContact CG1-CG2 4.42Å
311Y76.9Confident70.3Confident38 Ų3837.5 Ų37.515%0.14919%0.185CC..Hα-helixtrans-54.8-53.1175177.8-79.7000111.5Y307 H308 V313 F314 M315 I347 R1099Y307-Y311 VanDerWaalsContact O-CB 3.27Å; Y307-Y311 WeakPolarHBondContact O-CB 3.44Å; Y307-Y311 PolarHBondContact O-N 3.42Å; H308-Y311 WeakPolarHBondContact O-CB 3.41Å; H308-Y311 PolarHBondContact O-N 3.43Å; Y311-V313 VanDerWaalsContact C-N 3.33Å; Y311-V313 PolarHBondContact O-N 3.12Å; Y311-F314 PolarHBondContact O-N 2.93Å; Y311-M315 HydrophobicContact CD1-CG 4.14Å; Y311-M315 HydrophobicContact CD2-CG 4.49Å; Y311-M315 HydrophobicContact CE1-CB 4.46Å; Y311-M315 HydrophobicContact CE1-CG 3.84Å; Y311-M315 HydrophobicContact CE2-CG 4.21Å; Y311-M315 HydrophobicContact CG-CG 4.42Å; Y311-M315 WeakPolarHBondContact O-CB 3.26Å; Y311-M315 WeakPolarHBondContact O-CG 3.27Å; Y311-M315 PolarHBondContact O-N 2.91Å; Y311-I347 HydrophobicContact CD2-CD1 3.78Å; Y311-I347 HydrophobicContact CD2-CG1 3.57Å; Y311-I347 HydrophobicContact CE2-CD1 4.39Å; Y311-I347 HydrophobicContact CE2-CG1 3.96Å; Y311-I347 HydrophobicContact CE2-CG2 4.14Å; Y311-I347 HydrophobicContact CG-CD1 4.44Å; Y311-R1099 PolarHBondContact OH-NH1 3.23Å
312Q74.1Confident71Confident29 Ų2936.4 Ų36.414%0.13618%0.179CC..Hα-helixtrans-62.3-40.2-176.9-74.8-174-2100112.7H308 L309 V310H308-Q312 PolarHBondContact NE2-NE2 3.29Å; H308-Q312 WeakPolarHBondContact O-CG 3.02Å; H308-Q312 PolarHBondContact O-N 3.06Å; L309-Q312 PolarHBondContact O-N 3.04Å; V310-Q312 PolarHBondContact O-N 3.13Å
313V78Confident71.6Confident0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-70.7-40.7177.1176.10000111.2P251 V253 F260 L309 V310 Y311 H316 A322 M323 L326P251-V313 HydrophobicContact CG-CG2 4.16Å; V253-V313 HydrophobicContact CG1-CG1 4.29Å; V253-V313 HydrophobicContact CG2-CG2 4.07Å; F260-V313 HydrophobicContact CE2-CG2 4.21Å; F260-V313 HydrophobicContact CZ-CG2 4.11Å; L309-V313 HydrophobicContact CD1-CG2 4.32Å; L309-V313 WeakPolarHBondContact O-CG2 3.29Å; L309-V313 PolarHBondContact O-N 3.49Å; L309-V313 VanDerWaalsContact O-N 3.08Å; V310-V313 PolarHBondContact O-N 2.9Å; Y311-V313 VanDerWaalsContact C-N 3.33Å; Y311-V313 PolarHBondContact O-N 3.12Å; V313-H316 WeakPolarHBondContact O-CB 3.39Å; V313-H316 PolarHBondContact O-N 3.19Å; V313-A322 HydrophobicContact CG1-CB 3.68Å; V313-M323 HydrophobicContact CG1-CG 3.99Å; V313-M323 HydrophobicContact CG1-SD 3.76Å; V313-L326 HydrophobicContact CB-CD2 4.02Å; V313-L326 HydrophobicContact CG1-CD2 4.03Å; V313-L326 HydrophobicContact CG2-CD2 4.13Å
314F79.1Confident72Confident1 Ų136.3 Ų36.30%0.00418%0.181CC..Hα-helixtrans-67.9-38.7-178.9-176.6-102.1000112.8V310 Y311 H316 M323 I344 I347 I370 Q373 I374 L377V310-F314 WeakPolarHBondContact O-CB 3.28Å; V310-F314 PolarHBondContact O-N 3.28Å; Y311-F314 PolarHBondContact O-N 2.93Å; F314-H316 PolarHBondContact O-N 3.46Å; F314-M323 HydrophobicContact CD2-CE 4.11Å; F314-I344 HydrophobicContact CE1-CG1 4.22Å; F314-I344 HydrophobicContact CE2-CD1 3.96Å; F314-I344 HydrophobicContact CE2-CG1 3.92Å; F314-I344 HydrophobicContact CZ-CD1 4.02Å; F314-I344 HydrophobicContact CZ-CG1 3.71Å; F314-I344 HydrophobicContact CZ-CG2 4.41Å; F314-I347 HydrophobicContact CD1-CD1 3.63Å; F314-I347 HydrophobicContact CE1-CD1 4.18Å; F314-I347 HydrophobicContact CG-CD1 4.36Å; F314-I370 HydrophobicContact CE1-CG1 3.99Å; F314-I370 HydrophobicContact CE1-CG2 4.41Å; F314-Q373 HydrophobicContact CD2-CB 4.24Å; F314-Q373 HydrophobicContact CD2-CG 4.21Å; F314-Q373 HydrophobicContact CE1-CB 4.33Å; F314-Q373 HydrophobicContact CE1-CG 4.39Å; F314-Q373 HydrophobicContact CE2-CB 3.43Å; F314-Q373 VanDerWaalsContact CE2-CB 3.43Å; F314-Q373 HydrophobicContact CE2-CG 3.86Å; F314-Q373 HydrophobicContact CZ-CB 3.48Å; F314-Q373 VanDerWaalsContact CZ-CB 3.48Å; F314-Q373 HydrophobicContact CZ-CG 3.96Å; F314-I374 HydrophobicContact CZ-CG1 4.48Å; F314-L377 HydrophobicContact CD2-CD1 4.49Å; F314-L377 HydrophobicContact CE2-CD1 3.75Å
315M75.2Confident72.4Confident40 Ų4033.8 Ų33.820%0.19717%0.172CC..THydrogen-bonded Turntrans-77.4-2.3178.6-66.8-57.7-70.300113.4Y311 I347 A366 I370Y311-M315 HydrophobicContact CD1-CG 4.14Å; Y311-M315 HydrophobicContact CD2-CG 4.49Å; Y311-M315 HydrophobicContact CE1-CB 4.46Å; Y311-M315 HydrophobicContact CE1-CG 3.84Å; Y311-M315 HydrophobicContact CE2-CG 4.21Å; Y311-M315 HydrophobicContact CG-CG 4.42Å; Y311-M315 WeakPolarHBondContact O-CB 3.26Å; Y311-M315 WeakPolarHBondContact O-CG 3.27Å; Y311-M315 PolarHBondContact O-N 2.91Å; M315-I347 HydrophobicContact SD-CG2 4Å; M315-A366 HydrophobicContact CE-CB 3.69Å; M315-I370 HydrophobicContact CE-CD1 4.11Å; M315-I370 HydrophobicContact CE-CG1 4.25Å; M315-I370 HydrophobicContact SD-CD1 3.85Å; M315-I370 HydrophobicContact SD-CG1 3.68Å
316H69.8Low72.8Confident7 Ų733.5 Ų33.53%0.03217%0.171CC..SBendtrans-86.6137.4176.3-162.9-104.7000112V253 V313 F314 T318 Y319 Q373 S1114 N1115V253-H316 HydrophobicContact CB-CB 3.99Å; V253-H316 HydrophobicContact CG1-CB 3.61Å; V253-H316 HydrophobicContact CG2-CB 4.39Å; V313-H316 WeakPolarHBondContact O-CB 3.39Å; V313-H316 PolarHBondContact O-N 3.19Å; F314-H316 PolarHBondContact O-N 3.46Å; H316-T318 VanDerWaalsContact C-N 3.3Å; H316-T318 PolarHBondContact CE1-OG1 2.9Å; H316-T318 PolarHBondContact ND1-N 3.46Å; H316-T318 PolarHBondContact ND1-OG1 2.85Å; H316-T318 PolarHBondContact O-N 2.81Å; H316-Y319 PolarHBondContact O-N 3.23Å; H316-Q373 PolarHBondContact O-NE2 3.4Å; H316-S1114 PolarHBondContact CE1-OG 3.29Å; H316-S1114 PolarHBondContact NE2-OG 2.9Å; H316-N1115 PolarHBondContact CD2-ND2 3.41Å; H316-N1115 PolarHBondContact NE2-ND2 3.4Å
317A60.4Low73Confident47 Ų4733.6 Ų33.639%0.38817%0.171SC..THydrogen-bonded Turntrans-65.2-30.3-177.500000113.4Y319A317-Y319 VanDerWaalsContact C-N 3.26Å; A317-Y319 PolarHBondContact O-N 3.45Å
318T57.4Low73.1Confident57 Ų5730.2 Ų30.235%0.3516%0.164SC..THydrogen-bonded Turntrans-9040.5177.268.80000113.3H316 R320H316-T318 VanDerWaalsContact C-N 3.3Å; H316-T318 PolarHBondContact CE1-OG1 2.9Å; H316-T318 PolarHBondContact ND1-N 3.46Å; H316-T318 PolarHBondContact ND1-OG1 2.85Å; H316-T318 PolarHBondContact O-N 2.81Å; T318-R320 VanDerWaalsContact C-N 3.31Å; T318-R320 PolarHBondContact O-N 3.3Å
319Y62.3Low73Confident10 Ų1026.8 Ų26.84%0.03915%0.148CC..Hα-helixtrans-62.2-27.7-172.983.5-73.2000115.2H316 A317 D321 A322 M323 C376H316-Y319 PolarHBondContact O-N 3.23Å; A317-Y319 VanDerWaalsContact C-N 3.26Å; A317-Y319 PolarHBondContact O-N 3.45Å; Y319-D321 PolarHBondContact O-N 3.39Å; Y319-A322 PolarHBondContact O-N 3.41Å; Y319-M323 HydrophobicContact CD2-CB 4.38Å; Y319-M323 HydrophobicContact CD2-CG 3.88Å; Y319-M323 VanDerWaalsContact O-CB 3.28Å; Y319-M323 WeakPolarHBondContact O-CB 3.28Å; Y319-M323 VanDerWaalsContact O-CG 3.27Å; Y319-M323 WeakPolarHBondContact O-CG 3.32Å; Y319-M323 PolarHBondContact O-N 2.83Å; Y319-C376 WeakPolarHBondContact OH-CB 3.43Å; Y319-C376 PolarHBondContact OH-SG 2.89Å; Y319-C376 VanDerWaalsContact OH-SG 3.38Å
320R66Low72.3Confident87 Ų8733.1 Ų33.133%0.32818%0.177SC..Hα-helixtrans-60.4-50.8-166.2-73.7-171-176.5159.25.6111.6T318 T324 C376 D579T318-R320 VanDerWaalsContact C-N 3.31Å; T318-R320 PolarHBondContact O-N 3.3Å; R320-T324 WeakPolarHBondContact O-CB 3.47Å; R320-T324 PolarHBondContact O-N 2.88Å; R320-T324 VanDerWaalsContact O-N 3.1Å; R320-T324 PolarHBondContact O-OG1 3.07Å; R320-C376 PolarHBondContact NH2-SG 2.95Å; R320-D579 IonicContact NH2-OD1 3.61Å
321D68.7Low71.3Confident108 Ų10843.4 Ų43.458%0.57822%0.222SC*.Hα-helixtrans-73.5-34.2-177.4-57.5-41.6000111V256 Y319 T325V256-D321 HydrophobicContact CB-CB 4.18Å; V256-D321 HydrophobicContact CG1-CB 4Å; V256-D321 HydrophobicContact CG2-CB 4.07Å; Y319-D321 PolarHBondContact O-N 3.39Å; D321-T325 PolarHBondContact O-N 3Å; D321-T325 VanDerWaalsContact O-N 3.1Å; D321-T325 PolarHBondContact O-OG1 3.46Å
322A73.9Confident70.1Confident0 Ų050.3 Ų50.30%026%0.256CS..Hα-helixtrans-68.9-47.1176.800000111.7V253 V256 F260 V313 Y319 T324 T325 L326V253-A322 HydrophobicContact CG1-CB 3.54Å; V256-A322 HydrophobicContact CG2-CB 3.87Å; F260-A322 HydrophobicContact CD1-CB 4.14Å; F260-A322 HydrophobicContact CE1-CB 3.8Å; F260-A322 WeakPolarHBondContact CE1-O 3.24Å; F260-A322 HydrophobicContact CZ-CB 4.4Å; V313-A322 HydrophobicContact CG1-CB 3.68Å; Y319-A322 PolarHBondContact O-N 3.41Å; A322-T324 VanDerWaalsContact C-N 3.31Å; A322-T324 PolarHBondContact O-N 3.24Å; A322-T325 CarbonylContact O-C 3.46Å; A322-T325 PolarHBondContact O-N 3.49Å; A322-T325 VanDerWaalsContact O-N 3.15Å; A322-L326 VanDerWaalsContact O-CB 3.24Å; A322-L326 WeakPolarHBondContact O-CB 3.46Å; A322-L326 PolarHBondContact O-N 3.05Å
323M75.4Confident69.2Low7 Ų753.2 Ų53.23%0.03427%0.269CS..Hα-helixtrans-64.8-37.6177.8-71-72.5-95.600112V313 F314 Y319 T325 L326 F327 L340V313-M323 HydrophobicContact CG1-CG 3.99Å; V313-M323 HydrophobicContact CG1-SD 3.76Å; F314-M323 HydrophobicContact CD2-CE 4.11Å; Y319-M323 HydrophobicContact CD2-CB 4.38Å; Y319-M323 HydrophobicContact CD2-CG 3.88Å; Y319-M323 VanDerWaalsContact O-CB 3.28Å; Y319-M323 WeakPolarHBondContact O-CB 3.28Å; Y319-M323 VanDerWaalsContact O-CG 3.27Å; Y319-M323 WeakPolarHBondContact O-CG 3.32Å; Y319-M323 PolarHBondContact O-N 2.83Å; M323-T325 VanDerWaalsContact C-N 3.29Å; M323-T325 PolarHBondContact O-N 3.28Å; M323-L326 PolarHBondContact O-N 2.92Å; M323-L326 HydrophobicContact SD-CD2 3.96Å; M323-F327 HydrophobicContact CB-CD2 4.48Å; M323-F327 HydrophobicContact CE-CD2 4.28Å; M323-F327 HydrophobicContact CE-CE2 3.3Å; M323-F327 HydrophobicContact CE-CZ 3.91Å; M323-F327 PolarHBondContact O-N 3.38Å; M323-F327 HydrophobicContact SD-CD2 4.25Å; M323-F327 HydrophobicContact SD-CE2 3.49Å; M323-F327 WeakPolarHBondContact SD-CE2 3.42Å; M323-F327 HydrophobicContact SD-CZ 3.9Å; M323-L340 HydrophobicContact CE-CD1 4.16Å; M323-L340 HydrophobicContact CE-CD2 4.07Å
324T75Confident68.5Low56 Ų5662.2 Ų62.234%0.34431%0.308SS..Hα-helixtrans-58.7-43.7173.9-56.60000110.7R320 A322 G328 L329R320-T324 WeakPolarHBondContact O-CB 3.47Å; R320-T324 PolarHBondContact O-N 2.88Å; R320-T324 VanDerWaalsContact O-N 3.1Å; R320-T324 PolarHBondContact O-OG1 3.07Å; A322-T324 VanDerWaalsContact C-N 3.31Å; A322-T324 PolarHBondContact O-N 3.24Å; T324-G328 CarbonylContact O-C 3.43Å; T324-G328 WeakPolarHBondContact O-CA 3.31Å; T324-G328 PolarHBondContact O-N 2.96Å; T324-L329 WeakPolarHBondContact CG2-O 3.48Å; T324-L329 PolarHBondContact O-N 2.99Å
325T77Confident68Low39 Ų3964.5 Ų64.524%0.23932%0.32CS..Hα-helixtrans-74-40.1177.4-55.60000112.4V256 F260 D321 A322 M323 F327 G328V256-T325 WeakPolarHBondContact CG1-OG1 3.4Å; F260-T325 HydrophobicContact CD1-CG2 4.07Å; F260-T325 HydrophobicContact CE1-CG2 4.01Å; D321-T325 PolarHBondContact O-N 3Å; D321-T325 VanDerWaalsContact O-N 3.1Å; D321-T325 PolarHBondContact O-OG1 3.46Å; A322-T325 CarbonylContact O-C 3.46Å; A322-T325 PolarHBondContact O-N 3.49Å; A322-T325 VanDerWaalsContact O-N 3.15Å; M323-T325 VanDerWaalsContact C-N 3.29Å; M323-T325 PolarHBondContact O-N 3.28Å; T325-F327 PolarHBondContact O-N 3.43Å; T325-G328 PolarHBondContact O-N 2.92Å
326L82.5Confident67.9Low0 Ų067 Ų670%033%0.331CS..Hα-helixtrans-61.9-44.1-179-17565.8000111.3F260 W264 R265 L266 L309 V310 V313 A322 M323F260-L326 HydrophobicContact CE1-CB 4.47Å; F260-L326 HydrophobicContact CZ-CB 4.02Å; F260-L326 HydrophobicContact CZ-CD1 4.12Å; W264-L326 HydrophobicContact CB-CD1 4.34Å; W264-L326 WeakPolarHBondContact O-CD1 3.48Å; R265-L326 CarbonylContact C-O 3.34Å; R265-L326 VanDerWaalsContact CA-O 3.28Å; R265-L326 WeakPolarHBondContact CA-O 3.48Å; L266-L326 HydrophobicContact CD1-CD1 3.94Å; L266-L326 HydrophobicContact CD1-CD2 4.44Å; L266-L326 HydrophobicContact CD1-CG 4.17Å; L266-L326 HydrophobicContact CG-CD1 3.95Å; L266-L326 HydrophobicContact CG-CG 4.38Å; L266-L326 PolarHBondContact N-O 3.43Å; L309-L326 HydrophobicContact CD2-CD1 3.84Å; L309-L326 HydrophobicContact CG-CD1 3.99Å; V310-L326 HydrophobicContact CG2-CD2 4.31Å; V313-L326 HydrophobicContact CB-CD2 4.02Å; V313-L326 HydrophobicContact CG1-CD2 4.03Å; V313-L326 HydrophobicContact CG2-CD2 4.13Å; A322-L326 VanDerWaalsContact O-CB 3.24Å; A322-L326 WeakPolarHBondContact O-CB 3.46Å; A322-L326 PolarHBondContact O-N 3.05Å; M323-L326 PolarHBondContact O-N 2.92Å; M323-L326 HydrophobicContact SD-CD2 3.96Å
327F81.7Confident68.3Low2 Ų266.7 Ų66.71%0.00933%0.329CS..Hα-helixtrans-98.8-3-179.7-57.7-40.6000112.6L266 P268 L271 V310 M323 T325 L329 L337 L340L266-F327 HydrophobicContact CB-CD1 4.44Å; L266-F327 HydrophobicContact CD1-CE1 4.33Å; P268-F327 HydrophobicContact CG-CB 4.37Å; P268-F327 VanDerWaalsContact CG-O 3.26Å; P268-F327 WeakPolarHBondContact CG-O 3.13Å; L271-F327 HydrophobicContact CD2-CD1 4.2Å; L271-F327 HydrophobicContact CD2-CE1 3.54Å; L271-F327 HydrophobicContact CD2-CZ 4.1Å; V310-F327 HydrophobicContact CG1-CZ 4.35Å; V310-F327 HydrophobicContact CG2-CE1 4.31Å; V310-F327 HydrophobicContact CG2-CZ 4.41Å; M323-F327 HydrophobicContact CB-CD2 4.48Å; M323-F327 HydrophobicContact CE-CD2 4.28Å; M323-F327 HydrophobicContact CE-CE2 3.3Å; M323-F327 HydrophobicContact CE-CZ 3.91Å; M323-F327 PolarHBondContact O-N 3.38Å; M323-F327 HydrophobicContact SD-CD2 4.25Å; M323-F327 HydrophobicContact SD-CE2 3.49Å; M323-F327 WeakPolarHBondContact SD-CE2 3.42Å; M323-F327 HydrophobicContact SD-CZ 3.9Å; T325-F327 PolarHBondContact O-N 3.43Å; F327-L329 HydrophobicContact CB-CD1 3.87Å; F327-L329 HydrophobicContact CB-CD2 4.43Å; F327-L329 HydrophobicContact CB-CG 3.72Å; F327-L329 HydrophobicContact CD2-CD1 4.03Å; F327-L329 HydrophobicContact CG-CD1 4.47Å; F327-L329 PolarHBondContact O-N 3.25Å; F327-L337 HydrophobicContact CD2-CD1 3.9Å; F327-L337 HydrophobicContact CE2-CD1 4.11Å; F327-L337 HydrophobicContact CG-CD1 4.44Å; F327-L340 HydrophobicContact CE2-CD1 4.45Å; F327-L340 HydrophobicContact CE2-CD2 4.1Å; F327-L340 HydrophobicContact CZ-CD1 4.2Å
328G73.2Confident68.9Low19 Ų1966.6 Ų66.620%0.19633%0.325CS..THydrogen-bonded Turntrans57.633.9-175.400000112.9T324 T325T324-G328 CarbonylContact O-C 3.43Å; T324-G328 WeakPolarHBondContact O-CA 3.31Å; T324-G328 PolarHBondContact O-N 2.96Å; T325-G328 PolarHBondContact O-N 2.92Å
329L70.9Confident69.8Low10 Ų1067 Ų675%0.05232%0.322CS..  trans-71134.3178.8-64.4163.6000108.7T324 F327 M335 F382T324-L329 WeakPolarHBondContact CG2-O 3.48Å; T324-L329 PolarHBondContact O-N 2.99Å; F327-L329 HydrophobicContact CB-CD1 3.87Å; F327-L329 HydrophobicContact CB-CD2 4.43Å; F327-L329 HydrophobicContact CB-CG 3.72Å; F327-L329 HydrophobicContact CD2-CD1 4.03Å; F327-L329 HydrophobicContact CG-CD1 4.47Å; F327-L329 PolarHBondContact O-N 3.25Å; L329-M335 HydrophobicContact CD2-CE 4.2Å; L329-F382 HydrophobicContact CB-CZ 4.49Å; L329-F382 HydrophobicContact CD1-CD2 4.38Å; L329-F382 HydrophobicContact CD1-CE1 4.07Å; L329-F382 HydrophobicContact CD1-CE2 3.89Å; L329-F382 HydrophobicContact CD1-CZ 3.73Å; L329-F382 HydrophobicContact CD2-CE1 4.06Å; L329-F382 HydrophobicContact CD2-CZ 4.39Å; L329-F382 HydrophobicContact CG-CZ 4.41Å
330Q61.9Low70.7Confident138 Ų13866.6 Ų66.665%0.64532%0.32SS*.  trans-90.9150.4164-62.8-1695.200109.3Q332 E333Q330-Q332 PolarHBondContact O-N 2.82Å; Q330-E333 HydrophobicContact CB-CG 4.43Å; Q330-E333 PolarHBondContact O-N 3.27Å; Q330-E333 VanDerWaalsContact O-N 3.08Å
331K57.4Low71.6Confident216 Ų21662.5 Ų62.594%0.93931%0.305SS*.THydrogen-bonded Turntrans-52.4-11.4-175.7-86.6-177.1176.2176.20115.7
332Q52.4Low72.1Confident183 Ų18361.1 Ų61.186%0.85530%0.295SS*.THydrogen-bonded Turntrans-119.2-4.7-175.7-67-173.9-1500114.8Q330 K334Q330-Q332 PolarHBondContact O-N 2.82Å; Q332-K334 PolarHBondContact O-N 3.05Å
333E55.8Low72.3Confident90 Ų9061.4 Ų61.442%0.42130%0.297SS..  trans-80.5108.3-178.9-75.1-176.6163.900110.8Q330 M335 F382Q330-E333 HydrophobicContact CB-CG 4.43Å; Q330-E333 PolarHBondContact O-N 3.27Å; Q330-E333 VanDerWaalsContact O-N 3.08Å; E333-M335 PolarHBondContact O-N 3.21Å; E333-M335 VanDerWaalsContact O-N 3.16Å; E333-F382 WeakPolarHBondContact O-CE1 3.49Å
334K61.8Low72.7Confident189 Ų18961 Ų6182%0.82230%0.295SS*.  trans-76.995.6167.7-66.7-177.8-177.6179.40108.5Q332Q332-K334 PolarHBondContact O-N 3.05Å
335M68.5Low73Confident49 Ų4958.4 Ų58.424%0.24128%0.279CS..  trans-125.4124.9177.4-165.5-173.3-33.400109.5P268 Q269 L329 E333 L337 F382P268-M335 HydrophobicContact CB-SD 3.83Å; P268-M335 HydrophobicContact CG-CE 4.49Å; P268-M335 HydrophobicContact CG-SD 4.25Å; Q269-M335 PolarHBondContact NE2-SD 3.4Å; L329-M335 HydrophobicContact CD2-CE 4.2Å; E333-M335 PolarHBondContact O-N 3.21Å; E333-M335 VanDerWaalsContact O-N 3.16Å; M335-L337 HydrophobicContact CG-CD2 4.47Å; M335-L337 HydrophobicContact SD-CD2 4.22Å; M335-F382 WeakPolarHBondContact O-CD1 3.37Å
336Q74.5Confident72.9Confident92 Ų9258.8 Ų58.843%0.4329%0.286SS..  trans-78.3139.1170.6-70.9-168.8-12.200110.2Q269 P338Q269-Q336 PolarHBondContact NE2-O 2.94Å; Q269-Q336 VanDerWaalsContact NE2-O 3.11Å; Q336-P338 VanDerWaalsContact O-CD 3.3Å; Q336-P338 WeakPolarHBondContact O-CD 3.49Å
337L77.4Confident72.7Confident1 Ų158.9 Ų58.91%0.00529%0.286CS..  trans-115.678.9-179.1-57.8177000109.5P268 F327 M335 F339 L340 E341 F382P268-L337 HydrophobicContact CB-CD2 3.41Å; P268-L337 VanDerWaalsContact CB-CD2 3.41Å; F327-L337 HydrophobicContact CD2-CD1 3.9Å; F327-L337 HydrophobicContact CE2-CD1 4.11Å; F327-L337 HydrophobicContact CG-CD1 4.44Å; M335-L337 HydrophobicContact CG-CD2 4.47Å; M335-L337 HydrophobicContact SD-CD2 4.22Å; L337-F339 VanDerWaalsContact C-N 3.33Å; L337-F339 PolarHBondContact O-N 2.96Å; L337-L340 HydrophobicContact CB-CB 3.72Å; L337-L340 HydrophobicContact CB-CD2 4.28Å; L337-L340 HydrophobicContact CD1-CD2 3.89Å; L337-L340 VanDerWaalsContact O-CB 3.28Å; L337-L340 WeakPolarHBondContact O-CB 3.49Å; L337-L340 PolarHBondContact O-N 3.01Å; L337-E341 PolarHBondContact O-N 2.82Å; L337-F382 PolarHBondContact N-O 2.77Å
338P72.9Confident72.8Confident45 Ų4559.6 Ų59.629%0.29229%0.29SS..Hα-helixtrans-60.8-39-174.122.8-32.6000112.9Q336 L340 E341 E342Q336-P338 VanDerWaalsContact O-CD 3.3Å; Q336-P338 WeakPolarHBondContact O-CD 3.49Å; P338-L340 PolarHBondContact O-N 3.42Å; P338-E341 VanDerWaalsContact O-CB 3.32Å; P338-E341 WeakPolarHBondContact O-CB 3.24Å; P338-E341 PolarHBondContact O-N 3.08Å; P338-E341 VanDerWaalsContact O-N 3.07Å; P338-E342 PolarHBondContact O-N 3.42Å
339F75.9Confident73Confident66 Ų6661.1 Ų61.129%0.28929%0.294SS..Hα-helixtrans-63-30.1175.2-81.9-84.5000112.8Q269 L271 L337 E341 E342 V343Q269-F339 WeakPolarHBondContact O-CD2 3.43Å; Q269-F339 WeakPolarHBondContact O-CE2 3.24Å; L271-F339 HydrophobicContact CD1-CB 3.61Å; L271-F339 HydrophobicContact CG-CB 3.81Å; L337-F339 VanDerWaalsContact C-N 3.33Å; L337-F339 PolarHBondContact O-N 2.96Å; F339-E341 VanDerWaalsContact C-N 3.29Å; F339-E341 PolarHBondContact O-N 3.39Å; F339-E342 WeakPolarHBondContact O-CB 3.29Å; F339-E342 PolarHBondContact O-N 3.41Å; F339-V343 WeakPolarHBondContact O-CG2 3.25Å; F339-V343 PolarHBondContact O-N 3.06Å
340L82.8Confident73.1Confident1 Ų164.3 Ų64.31%0.00531%0.308CS..Hα-helixtrans-65.8-35.8175.3-175.561.6000111V310 M323 F327 L337 P338 E342 V343 I344 L377 I383V310-L340 HydrophobicContact CG1-CD1 3.76Å; M323-L340 HydrophobicContact CE-CD1 4.16Å; M323-L340 HydrophobicContact CE-CD2 4.07Å; F327-L340 HydrophobicContact CE2-CD1 4.45Å; F327-L340 HydrophobicContact CE2-CD2 4.1Å; F327-L340 HydrophobicContact CZ-CD1 4.2Å; L337-L340 HydrophobicContact CB-CB 3.72Å; L337-L340 HydrophobicContact CB-CD2 4.28Å; L337-L340 HydrophobicContact CD1-CD2 3.89Å; L337-L340 VanDerWaalsContact O-CB 3.28Å; L337-L340 WeakPolarHBondContact O-CB 3.49Å; L337-L340 PolarHBondContact O-N 3.01Å; P338-L340 PolarHBondContact O-N 3.42Å; L340-E342 VanDerWaalsContact C-N 3.3Å; L340-E342 PolarHBondContact O-N 3.25Å; L340-V343 PolarHBondContact O-N 2.84Å; L340-I344 HydrophobicContact CD1-CG1 4.5Å; L340-I344 HydrophobicContact CG-CD1 4.04Å; L340-I344 HydrophobicContact CG-CG1 4.44Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.33Å; L340-I344 PolarHBondContact O-N 3.35Å; L340-L377 HydrophobicContact CD2-CD1 3.92Å; L340-L377 HydrophobicContact CD2-CD2 4.48Å; L340-I383 HydrophobicContact CD2-CG2 4.07Å; L340-I383 HydrophobicContact CG-CG2 4.32Å
341E84.8Confident73.7Confident1 Ų157.9 Ų57.91%0.00528%0.278CS..Hα-helixtrans-63-37.2174.4-58.7170.8178.400111.5L337 P338 F339 S345 I383 S384 R387 L388L337-E341 PolarHBondContact O-N 2.82Å; P338-E341 VanDerWaalsContact O-CB 3.32Å; P338-E341 WeakPolarHBondContact O-CB 3.24Å; P338-E341 PolarHBondContact O-N 3.08Å; P338-E341 VanDerWaalsContact O-N 3.07Å; F339-E341 VanDerWaalsContact C-N 3.29Å; F339-E341 PolarHBondContact O-N 3.39Å; E341-S345 WeakPolarHBondContact O-CB 3.47Å; E341-S345 PolarHBondContact O-N 3.01Å; E341-S345 PolarHBondContact O-OG 3.46Å; E341-I383 HydrophobicContact CG-CB 3.84Å; E341-I383 HydrophobicContact CG-CG2 3.88Å; E341-S384 PolarHBondContact OE1-N 2.91Å; E341-R387 IonicContact OE1-CZ 3.68Å; E341-R387 IonicContact OE1-NE 2.82Å; E341-R387 PolarHBondContact OE1-NE 2.85Å; E341-R387 IonicContact OE1-NH2 3.78Å; E341-R387 PolarHBondContact OE1-NH2 2.95Å; E341-R387 WeakPolarHBondContact OE2-CB 3.32Å; E341-R387 VanDerWaalsContact OE2-CD 3.24Å; E341-R387 WeakPolarHBondContact OE2-CD 3.39Å; E341-R387 WeakPolarHBondContact OE2-CG 3.41Å; E341-R387 IonicContact OE2-CZ 3.52Å; E341-R387 IonicContact OE2-NE 3.65Å; E341-R387 PolarHBondContact OE2-NE 3.32Å; E341-R387 IonicContact OE2-NH2 3.15Å; E341-L388 HydrophobicContact CB-CD1 4.44Å; E341-L388 VanDerWaalsContact O-CD1 3.29Å; E341-L388 WeakPolarHBondContact O-CD1 3.22Å
342E77.5Confident74.6Confident80 Ų8051.4 Ų51.437%0.37425%0.252SS..Hα-helixtrans-66-42.1173.6-66.3-175.5-176.600112.2P338 F339 L340 S345 A346P338-E342 PolarHBondContact O-N 3.42Å; F339-E342 WeakPolarHBondContact O-CB 3.29Å; F339-E342 PolarHBondContact O-N 3.41Å; L340-E342 VanDerWaalsContact C-N 3.3Å; L340-E342 PolarHBondContact O-N 3.25Å; E342-S345 WeakPolarHBondContact O-CB 3.24Å; E342-S345 PolarHBondContact O-N 3.47Å; E342-A346 PolarHBondContact O-N 3.5Å
343V78Confident75.3Confident5 Ų550 Ų503%0.0324%0.24CC..Hα-helixtrans-61.9-50.3175.9-175.80000110.4L271 Y307 V310 F339 L340 S345 A346 I347L271-V343 HydrophobicContact CD1-CG2 3.66Å; Y307-V343 HydrophobicContact CD1-CB 4.47Å; Y307-V343 HydrophobicContact CD1-CG1 4.47Å; Y307-V343 HydrophobicContact CD1-CG2 3.55Å; Y307-V343 HydrophobicContact CE1-CG2 3.72Å; V310-V343 HydrophobicContact CB-CG1 4.43Å; V310-V343 HydrophobicContact CG1-CB 4.45Å; V310-V343 HydrophobicContact CG1-CG1 3.92Å; V310-V343 HydrophobicContact CG1-CG2 4.42Å; F339-V343 WeakPolarHBondContact O-CG2 3.25Å; F339-V343 PolarHBondContact O-N 3.06Å; L340-V343 PolarHBondContact O-N 2.84Å; V343-S345 PolarHBondContact O-N 3.01Å; V343-A346 WeakPolarHBondContact O-CB 3.44Å; V343-A346 PolarHBondContact O-N 3.33Å; V343-I347 HydrophobicContact CG1-CD1 4Å; V343-I347 HydrophobicContact CG1-CG1 4.36Å; V343-I347 WeakPolarHBondContact O-CG1 3.3Å; V343-I347 PolarHBondContact O-N 3.04Å
344I85.3Confident75.9Confident0 Ų047.7 Ų47.70%023%0.229CC..Hα-helixtrans-58.3-41.6178.9-66.1167.9000110.2F314 L340 A346 I347 I348 I374 L377 I383 L388F314-I344 HydrophobicContact CE1-CG1 4.22Å; F314-I344 HydrophobicContact CE2-CD1 3.96Å; F314-I344 HydrophobicContact CE2-CG1 3.92Å; F314-I344 HydrophobicContact CZ-CD1 4.02Å; F314-I344 HydrophobicContact CZ-CG1 3.71Å; F314-I344 HydrophobicContact CZ-CG2 4.41Å; L340-I344 HydrophobicContact CD1-CG1 4.5Å; L340-I344 HydrophobicContact CG-CD1 4.04Å; L340-I344 HydrophobicContact CG-CG1 4.44Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.33Å; L340-I344 PolarHBondContact O-N 3.35Å; I344-A346 VanDerWaalsContact C-N 3.33Å; I344-A346 PolarHBondContact O-N 3.44Å; I344-I347 PolarHBondContact O-N 3.2Å; I344-I348 HydrophobicContact CG2-CD1 3.86Å; I344-I348 HydrophobicContact CG2-CG1 4.46Å; I344-I348 VanDerWaalsContact O-CG1 3.3Å; I344-I348 WeakPolarHBondContact O-CG1 3.19Å; I344-I348 PolarHBondContact O-N 3.3Å; I344-I374 HydrophobicContact CG2-CD1 3.78Å; I344-I374 HydrophobicContact CG2-CG1 3.96Å; I344-L377 HydrophobicContact CD1-CD1 3.85Å; I344-I383 HydrophobicContact CD1-CD1 3.84Å; I344-I383 HydrophobicContact CD1-CG2 4.23Å; I344-L388 HydrophobicContact CB-CD1 3.91Å; I344-L388 HydrophobicContact CG2-CD1 3.73Å; I344-L388 HydrophobicContact CG2-CD2 3.96Å
345S80.7Confident76.2Confident0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-60.8-42.6176-55.60000111.9E341 E342 V343 I348 L349 L388 N391E341-S345 WeakPolarHBondContact O-CB 3.47Å; E341-S345 PolarHBondContact O-N 3.01Å; E341-S345 PolarHBondContact O-OG 3.46Å; E342-S345 WeakPolarHBondContact O-CB 3.24Å; E342-S345 PolarHBondContact O-N 3.47Å; V343-S345 PolarHBondContact O-N 3.01Å; S345-I348 PolarHBondContact O-N 2.63Å; S345-L349 VanDerWaalsContact O-CG 3.25Å; S345-L349 WeakPolarHBondContact O-CG 3.37Å; S345-L349 PolarHBondContact O-N 2.84Å; S345-L388 WeakPolarHBondContact OG-CD1 3.39Å; S345-N391 WeakPolarHBondContact OG-CB 3.4Å
346A75.5Confident76.1Confident47 Ų4744 Ų4439%0.38822%0.217SC..Hα-helixtrans-65.2-40.9177.300000112.2E342 V343 I344 L349 E350E342-A346 PolarHBondContact O-N 3.5Å; V343-A346 WeakPolarHBondContact O-CB 3.44Å; V343-A346 PolarHBondContact O-N 3.33Å; I344-A346 VanDerWaalsContact C-N 3.33Å; I344-A346 PolarHBondContact O-N 3.44Å; A346-L349 PolarHBondContact O-N 3.27Å; A346-E350 PolarHBondContact O-N 2.82Å
347I78.7Confident75.6Confident3 Ų343.7 Ų43.72%0.01522%0.224CC..Hα-helixtrans-60.6-46.2175.4-65176.1000110.9Y311 F314 M315 V343 I344 L349 E350 L351 I370Y311-I347 HydrophobicContact CD2-CD1 3.78Å; Y311-I347 HydrophobicContact CD2-CG1 3.57Å; Y311-I347 HydrophobicContact CE2-CD1 4.39Å; Y311-I347 HydrophobicContact CE2-CG1 3.96Å; Y311-I347 HydrophobicContact CE2-CG2 4.14Å; Y311-I347 HydrophobicContact CG-CD1 4.44Å; F314-I347 HydrophobicContact CD1-CD1 3.63Å; F314-I347 HydrophobicContact CE1-CD1 4.18Å; F314-I347 HydrophobicContact CG-CD1 4.36Å; M315-I347 HydrophobicContact SD-CG2 4Å; V343-I347 HydrophobicContact CG1-CD1 4Å; V343-I347 HydrophobicContact CG1-CG1 4.36Å; V343-I347 WeakPolarHBondContact O-CG1 3.3Å; V343-I347 PolarHBondContact O-N 3.04Å; I344-I347 PolarHBondContact O-N 3.2Å; I347-L349 VanDerWaalsContact C-N 3.33Å; I347-L349 PolarHBondContact O-N 3.29Å; I347-E350 PolarHBondContact O-N 2.97Å; I347-L351 HydrophobicContact CG2-CD1 4.33Å; I347-L351 WeakPolarHBondContact O-CG 3.48Å; I347-L351 PolarHBondContact O-N 3.06Å; I347-I370 HydrophobicContact CG2-CD1 3.62Å; I347-I370 HydrophobicContact CG2-CG1 4.4Å
348I83.5Confident74.9Confident16 Ų1646.1 Ų46.18%0.08224%0.237CC..Hα-helixtrans-60.2-45.8177.8-71.5169.1000110.1I344 S345 L351 M352 W367 I370 I374 L392I344-I348 HydrophobicContact CG2-CD1 3.86Å; I344-I348 HydrophobicContact CG2-CG1 4.46Å; I344-I348 VanDerWaalsContact O-CG1 3.3Å; I344-I348 WeakPolarHBondContact O-CG1 3.19Å; I344-I348 PolarHBondContact O-N 3.3Å; S345-I348 PolarHBondContact O-N 2.63Å; I348-L351 PolarHBondContact O-N 2.91Å; I348-M352 HydrophobicContact CG2-CG 4.34Å; I348-M352 HydrophobicContact CG2-SD 3.79Å; I348-M352 WeakPolarHBondContact O-CB 3.38Å; I348-M352 VanDerWaalsContact O-CG 3.22Å; I348-M352 WeakPolarHBondContact O-CG 3.46Å; I348-M352 PolarHBondContact O-N 3.09Å; I348-W367 HydrophobicContact CG1-CZ3 4.37Å; I348-W367 HydrophobicContact CG2-CH2 4.05Å; I348-W367 HydrophobicContact CG2-CZ3 4.23Å; I348-I370 HydrophobicContact CG1-CG2 4.29Å; I348-I374 HydrophobicContact CD1-CD1 4.08Å; I348-L392 HydrophobicContact CB-CD2 4.06Å; I348-L392 HydrophobicContact CD1-CD1 3.9Å; I348-L392 HydrophobicContact CD1-CD2 4.42Å; I348-L392 HydrophobicContact CG2-CD1 4.37Å; I348-L392 HydrophobicContact CG2-CD2 3.77Å
349L76.9Confident74.4Confident52 Ų5250.6 Ų50.627%0.27225%0.253SS..Hα-helixtrans-63.6-40.5178.2-72.2168.4000112.7S345 A346 I347 M352 Y353 L392 K395 V396S345-L349 VanDerWaalsContact O-CG 3.25Å; S345-L349 WeakPolarHBondContact O-CG 3.37Å; S345-L349 PolarHBondContact O-N 2.84Å; A346-L349 PolarHBondContact O-N 3.27Å; I347-L349 VanDerWaalsContact C-N 3.33Å; I347-L349 PolarHBondContact O-N 3.29Å; L349-M352 PolarHBondContact O-N 3.45Å; L349-Y353 WeakPolarHBondContact O-CB 3.34Å; L349-Y353 PolarHBondContact O-N 3.09Å; L349-L392 HydrophobicContact CG-CD2 4.38Å; L349-K395 HydrophobicContact CD1-CB 3.77Å; L349-K395 HydrophobicContact CD1-CD 3.56Å; L349-K395 HydrophobicContact CD1-CG 4.26Å; L349-V396 HydrophobicContact CD2-CG2 3.47Å; L349-V396 VanDerWaalsContact CD2-CG2 3.47Å
350E72.6Confident73.5Confident77 Ų7754.5 Ų54.536%0.3628%0.278SS..Hα-helixtrans-61.3-46.1175.5-172.7-173.4153.700111A346 I347 Y353 E354 R1099A346-E350 PolarHBondContact O-N 2.82Å; I347-E350 PolarHBondContact O-N 2.97Å; E350-Y353 PolarHBondContact O-N 2.89Å; E350-E354 WeakPolarHBondContact O-CG 3.34Å; E350-E354 PolarHBondContact O-N 3.1Å; E350-R1099 IonicContact OE1-CZ 3.86Å; E350-R1099 IonicContact OE1-NH1 3.73Å; E350-R1099 IonicContact OE1-NH2 2.68Å; E350-R1099 PolarHBondContact OE1-NH2 3.25Å
351L74.7Confident72.4Confident3 Ų359.4 Ų59.42%0.01630%0.3CS..Hα-helixtrans-69.2-33.5177.6-69.9178.1000113.3I347 I348 A355 A366 W367 I370I347-L351 HydrophobicContact CG2-CD1 4.33Å; I347-L351 WeakPolarHBondContact O-CG 3.48Å; I347-L351 PolarHBondContact O-N 3.06Å; I348-L351 PolarHBondContact O-N 2.91Å; L351-A355 WeakPolarHBondContact O-CB 3.48Å; L351-A355 PolarHBondContact O-N 2.93Å; L351-A366 HydrophobicContact CD1-CB 4.07Å; L351-A366 HydrophobicContact CD2-CB 4.3Å; L351-W367 HydrophobicContact CB-CH2 4.12Å; L351-W367 HydrophobicContact CB-CZ2 3.58Å; L351-W367 HydrophobicContact CD1-CZ2 4.45Å; L351-I370 HydrophobicContact CD1-CD1 3.09Å; L351-I370 HydrophobicContact CG-CD1 4.45Å
352M75.5Confident71.3Confident79 Ų7964 Ų6439%0.38932%0.324SS..Hα-helixtrans-63.6-46.1171.9-75.4174.665.100110.5I348 L349 A355 E356 W367 V396I348-M352 HydrophobicContact CG2-CG 4.34Å; I348-M352 HydrophobicContact CG2-SD 3.79Å; I348-M352 WeakPolarHBondContact O-CB 3.38Å; I348-M352 VanDerWaalsContact O-CG 3.22Å; I348-M352 WeakPolarHBondContact O-CG 3.46Å; I348-M352 PolarHBondContact O-N 3.09Å; L349-M352 PolarHBondContact O-N 3.45Å; M352-A355 PolarHBondContact O-N 2.95Å; M352-E356 WeakPolarHBondContact O-CB 3.25Å; M352-E356 PolarHBondContact O-N 3.39Å; M352-W367 HydrophobicContact CG-CH2 3.94Å; M352-W367 HydrophobicContact CG-CZ2 4.21Å; M352-V396 HydrophobicContact CE-CG1 4.45Å
353Y68.9Low70.8Confident154 Ų15462.3 Ų62.360%0.60432%0.318SS*.Hα-helixtrans-62.2-42.7177.2179.3-97.4000112.2L349 E350 E356 C357L349-Y353 WeakPolarHBondContact O-CB 3.34Å; L349-Y353 PolarHBondContact O-N 3.09Å; E350-Y353 PolarHBondContact O-N 2.89Å; Y353-E356 PolarHBondContact O-N 3.36Å; Y353-C357 WeakPolarHBondContact CE1-SG 3.36Å; Y353-C357 WeakPolarHBondContact O-CB 3.47Å; Y353-C357 PolarHBondContact O-N 2.96Å; Y353-C357 PolarHBondContact O-SG 3.16Å
354E67.7Low70.4Confident41 Ų4166.6 Ų66.619%0.19235%0.346CS..Hα-helixtrans-60.2-45.3174-75.4178.4179.600111.8E350 E356 C357 D358 R1099E350-E354 WeakPolarHBondContact O-CG 3.34Å; E350-E354 PolarHBondContact O-N 3.1Å; E354-E356 VanDerWaalsContact C-N 3.3Å; E354-E356 PolarHBondContact O-N 3.22Å; E354-C357 PolarHBondContact O-N 2.82Å; E354-D358 PolarHBondContact O-N 3.37Å; E354-D358 VanDerWaalsContact O-N 3.09Å; E354-R1099 IonicContact OE1-CZ 3.89Å; E354-R1099 IonicContact OE1-NH1 2.73Å; E354-R1099 PolarHBondContact OE1-NH1 2.93Å; E354-R1099 IonicContact OE1-NH2 3.62Å; E354-R1099 PolarHBondContact OE1-NH2 2.93Å; E354-R1099 IonicContact OE2-CZ 3.87Å; E354-R1099 IonicContact OE2-NH1 2.87Å; E354-R1099 PolarHBondContact OE2-NH1 3.35Å
355A68.6Low69.6Low15 Ų1568.9 Ų68.912%0.12436%0.358CS..Hα-helixtrans-68.4-27178.400000113.3L351 M352 D358 H359 L362L351-A355 WeakPolarHBondContact O-CB 3.48Å; L351-A355 PolarHBondContact O-N 2.93Å; M352-A355 PolarHBondContact O-N 2.95Å; A355-D358 CarbonylContact O-C 3.31Å; A355-H359 WeakPolarHBondContact O-CA 3.35Å; A355-H359 PolarHBondContact O-N 2.85Å; A355-H359 PolarHBondContact O-ND1 2.79Å; A355-L362 HydrophobicContact CB-CD2 4.21Å
356E65.2Low69.2Low147 Ų14769.1 Ų69.169%0.68736%0.36SS*.Hα-helixtrans-76.6-39.7174.1-172.4177.8-171.500111.7M352 Y353 E354M352-E356 WeakPolarHBondContact O-CB 3.25Å; M352-E356 PolarHBondContact O-N 3.39Å; Y353-E356 PolarHBondContact O-N 3.36Å; E354-E356 VanDerWaalsContact C-N 3.3Å; E354-E356 PolarHBondContact O-N 3.22Å
357C65.4Low69.3Low84 Ų8470.9 Ų70.957%0.56836%0.357SS*.Hα-helixtrans-66.5-40.1177.4-69.40000112.6Y353 E354Y353-C357 WeakPolarHBondContact CE1-SG 3.36Å; Y353-C357 WeakPolarHBondContact O-CB 3.47Å; Y353-C357 PolarHBondContact O-N 2.96Å; Y353-C357 PolarHBondContact O-SG 3.16Å; E354-C357 PolarHBondContact O-N 2.82Å
358D62.3Low69Low53 Ų5372.9 Ų72.928%0.28336%0.364SS..  trans-146.1104.1177.9-176.80.1000109.7E354 A355 N360 Q361E354-D358 PolarHBondContact O-N 3.37Å; E354-D358 VanDerWaalsContact O-N 3.09Å; A355-D358 CarbonylContact O-C 3.31Å; D358-N360 PolarHBondContact O-N 3.15Å; D358-N360 VanDerWaalsContact OD1-CB 3.28Å; D358-N360 WeakPolarHBondContact OD1-CB 3.11Å; D358-N360 PolarHBondContact OD1-N 3.36Å; D358-N360 PolarHBondContact OD1-ND2 3.42Å; D358-Q361 HydrophobicContact CB-CB 4.26Å; D358-Q361 HydrophobicContact CB-CG 3.88Å; D358-Q361 WeakPolarHBondContact O-CA 3.39Å; D358-Q361 WeakPolarHBondContact O-CB 3.2Å; D358-Q361 PolarHBondContact O-N 3.23Å; D358-Q361 WeakPolarHBondContact OD2-CG 3.27Å; D358-Q361 PolarHBondContact OD2-NE2 3.09Å
359H60.9Low68.7Low138 Ų13873 Ų7364%0.63937%0.365SS*.G310 helixtrans-59.1-19.6178.2-68.1-39.3000113.5A355 Q361 L362A355-H359 WeakPolarHBondContact O-CA 3.35Å; A355-H359 PolarHBondContact O-N 2.85Å; A355-H359 PolarHBondContact O-ND1 2.79Å; H359-Q361 PolarHBondContact O-N 3.35Å; H359-L362 VanDerWaalsContact O-CD1 3.31Å; H359-L362 WeakPolarHBondContact O-CD1 3.44Å; H359-L362 WeakPolarHBondContact O-CG 3.33Å; H359-L362 PolarHBondContact O-N 2.82Å
360N58Low68.9Low149 Ų14970.7 Ų70.780%0.79735%0.353SS*.G310 helixtrans-77-11.4174-53-59.8000112.8D358 L362D358-N360 PolarHBondContact O-N 3.15Å; D358-N360 VanDerWaalsContact OD1-CB 3.28Å; D358-N360 WeakPolarHBondContact OD1-CB 3.11Å; D358-N360 PolarHBondContact OD1-N 3.36Å; D358-N360 PolarHBondContact OD1-ND2 3.42Å; N360-L362 VanDerWaalsContact C-N 3.32Å
361Q59.3Low69.2Low103 Ų10369.8 Ų69.848%0.48136%0.356SS..G310 helixtrans-93.416174.8-64.7-179.733.200112.9D358 H359 N363D358-Q361 HydrophobicContact CB-CB 4.26Å; D358-Q361 HydrophobicContact CB-CG 3.88Å; D358-Q361 WeakPolarHBondContact O-CA 3.39Å; D358-Q361 WeakPolarHBondContact O-CB 3.2Å; D358-Q361 PolarHBondContact O-N 3.23Å; D358-Q361 WeakPolarHBondContact OD2-CG 3.27Å; D358-Q361 PolarHBondContact OD2-NE2 3.09Å; H359-Q361 PolarHBondContact O-N 3.35Å; Q361-N363 PolarHBondContact O-N 2.77Å
362L62.8Low69.3Low97 Ų9770.3 Ų70.351%0.50836%0.359SS..  trans-48.8117.8159.1-77162.5000107.3A355 H359 N360 P364A355-L362 HydrophobicContact CB-CD2 4.21Å; H359-L362 VanDerWaalsContact O-CD1 3.31Å; H359-L362 WeakPolarHBondContact O-CD1 3.44Å; H359-L362 WeakPolarHBondContact O-CG 3.33Å; H359-L362 PolarHBondContact O-N 2.82Å; N360-L362 VanDerWaalsContact C-N 3.32Å; L362-P364 VanDerWaalsContact O-CD 3.23Å; L362-P364 WeakPolarHBondContact O-CD 3.45Å
363N67.2Low69.6Low46 Ų4666.7 Ų66.725%0.24634%0.341CS..  trans-109.385.2179.3-174.4-21.8000108.2Q361 D365 A366 W367Q361-N363 PolarHBondContact O-N 2.77Å; N363-D365 PolarHBondContact O-N 3.05Å; N363-D365 PolarHBondContact OD1-N 3.17Å; N363-A366 HydrophobicContact CB-CB 3.91Å; N363-A366 VanDerWaalsContact CG-CB 3.43Å; N363-A366 PolarHBondContact O-N 3.2Å; N363-A366 WeakPolarHBondContact OD1-CB 3.16Å; N363-A366 PolarHBondContact OD1-N 3.49Å; N363-W367 PolarHBondContact O-N 3.02Å
364P69.1Low70.4Confident94 Ų9460.3 Ų60.361%0.6132%0.318SS*.Hα-helixtrans-60.9-32.8-174.6-21.133.9000111.8L362 W367 R368L362-P364 VanDerWaalsContact O-CD 3.23Å; L362-P364 WeakPolarHBondContact O-CD 3.45Å; P364-W367 PolarHBondContact O-N 3.26Å; P364-R368 VanDerWaalsContact O-CB 3.29Å; P364-R368 WeakPolarHBondContact O-CB 3.45Å; P364-R368 PolarHBondContact O-N 2.96Å
365D68Low71Confident48 Ų4861 Ų6126%0.25732%0.324SS..Hα-helixtrans-65.9-43.3177.9-73.7-48.8000112.1N363 W367 R368 V369 L1108N363-D365 PolarHBondContact O-N 3.05Å; N363-D365 PolarHBondContact OD1-N 3.17Å; D365-W367 PolarHBondContact O-N 3.14Å; D365-R368 PolarHBondContact O-N 3.38Å; D365-R368 IonicContact OD1-CZ 3.59Å; D365-R368 VanDerWaalsContact OD1-CZ 3.28Å; D365-R368 IonicContact OD1-NH1 3.9Å; D365-R368 IonicContact OD1-NH2 3.06Å; D365-R368 PolarHBondContact OD1-NH2 3.39Å; D365-V369 WeakPolarHBondContact O-CG2 3.35Å; D365-V369 PolarHBondContact O-N 3.15Å; D365-L1108 HydrophobicContact CB-CD1 3.78Å
366A72.4Confident71.5Confident6 Ų660.8 Ų60.85%0.0532%0.322CS..Hα-helixtrans-59.2-47.6174.100000111.2M315 L351 N363 R368 V369 I370M315-A366 HydrophobicContact CE-CB 3.69Å; L351-A366 HydrophobicContact CD1-CB 4.07Å; L351-A366 HydrophobicContact CD2-CB 4.3Å; N363-A366 HydrophobicContact CB-CB 3.91Å; N363-A366 VanDerWaalsContact CG-CB 3.43Å; N363-A366 PolarHBondContact O-N 3.2Å; N363-A366 WeakPolarHBondContact OD1-CB 3.16Å; N363-A366 PolarHBondContact OD1-N 3.49Å; A366-R368 VanDerWaalsContact C-N 3.32Å; A366-R368 PolarHBondContact O-N 3.5Å; A366-V369 PolarHBondContact O-N 2.97Å; A366-I370 WeakPolarHBondContact O-CB 3.39Å; A366-I370 VanDerWaalsContact O-CG1 3.24Å; A366-I370 WeakPolarHBondContact O-CG1 3.12Å; A366-I370 PolarHBondContact O-N 3.04Å
367W77Confident72.2Confident83 Ų8354 Ų5431%0.31429%0.29SS..Hα-helixtrans-64.2-36176.1-71.6110000112.6I348 L351 M352 N363 P364 D365 S371I348-W367 HydrophobicContact CG1-CZ3 4.37Å; I348-W367 HydrophobicContact CG2-CH2 4.05Å; I348-W367 HydrophobicContact CG2-CZ3 4.23Å; L351-W367 HydrophobicContact CB-CH2 4.12Å; L351-W367 HydrophobicContact CB-CZ2 3.58Å; L351-W367 HydrophobicContact CD1-CZ2 4.45Å; M352-W367 HydrophobicContact CG-CH2 3.94Å; M352-W367 HydrophobicContact CG-CZ2 4.21Å; N363-W367 PolarHBondContact O-N 3.02Å; P364-W367 PolarHBondContact O-N 3.26Å; D365-W367 PolarHBondContact O-N 3.14Å; W367-S371 VanDerWaalsContact O-CB 3.25Å; W367-S371 WeakPolarHBondContact O-CB 3.16Å; W367-S371 PolarHBondContact O-N 3.13Å; W367-S371 PolarHBondContact O-OG 3.25Å
368R73.2Confident73.1Confident46 Ų4651.5 Ų51.517%0.17427%0.273CS..Hα-helixtrans-66.1-42.9174.6-168.7175.370.1-153.3-10.5111.4P364 D365 A366 S371 T372 E1107P364-R368 VanDerWaalsContact O-CB 3.29Å; P364-R368 WeakPolarHBondContact O-CB 3.45Å; P364-R368 PolarHBondContact O-N 2.96Å; D365-R368 PolarHBondContact O-N 3.38Å; D365-R368 IonicContact OD1-CZ 3.59Å; D365-R368 VanDerWaalsContact OD1-CZ 3.28Å; D365-R368 IonicContact OD1-NH1 3.9Å; D365-R368 IonicContact OD1-NH2 3.06Å; D365-R368 PolarHBondContact OD1-NH2 3.39Å; A366-R368 VanDerWaalsContact C-N 3.32Å; A366-R368 PolarHBondContact O-N 3.5Å; R368-S371 WeakPolarHBondContact CA-OG 3.23Å; R368-S371 PolarHBondContact O-OG 2.85Å; R368-T372 VanDerWaalsContact O-CB 3.31Å; R368-T372 WeakPolarHBondContact O-CB 3.44Å; R368-T372 PolarHBondContact O-N 3.32Å; R368-T372 VanDerWaalsContact O-N 3.07Å; R368-T372 PolarHBondContact O-OG1 3.22Å; R368-E1107 IonicContact NH1-OE2 2.77Å
369V76.2Confident73.9Confident17 Ų1753.4 Ų53.410%0.10329%0.286CS..Hα-helixtrans-60.6-57.2173.8171.40000109.1D365 A366 S371 T372 Q373D365-V369 WeakPolarHBondContact O-CG2 3.35Å; D365-V369 PolarHBondContact O-N 3.15Å; A366-V369 PolarHBondContact O-N 2.97Å; V369-S371 VanDerWaalsContact C-N 3.34Å; V369-S371 PolarHBondContact O-N 3.23Å; V369-T372 WeakPolarHBondContact O-CB 3.18Å; V369-T372 PolarHBondContact O-N 2.68Å; V369-T372 VanDerWaalsContact O-N 3.14Å; V369-Q373 HydrophobicContact CG1-CG 4.02Å; V369-Q373 VanDerWaalsContact O-CG 3.24Å; V369-Q373 WeakPolarHBondContact O-CG 3.26Å; V369-Q373 PolarHBondContact O-N 3.1Å
370I81.7Confident74.7Confident4 Ų450.5 Ų50.52%0.02127%0.273CS..Hα-helixtrans-57-45.3-176.9-68.2170.1000112.1F314 M315 I347 I348 L351 A366 Q373 I374F314-I370 HydrophobicContact CE1-CG1 3.99Å; F314-I370 HydrophobicContact CE1-CG2 4.41Å; M315-I370 HydrophobicContact CE-CD1 4.11Å; M315-I370 HydrophobicContact CE-CG1 4.25Å; M315-I370 HydrophobicContact SD-CD1 3.85Å; M315-I370 HydrophobicContact SD-CG1 3.68Å; I347-I370 HydrophobicContact CG2-CD1 3.62Å; I347-I370 HydrophobicContact CG2-CG1 4.4Å; I348-I370 HydrophobicContact CG1-CG2 4.29Å; L351-I370 HydrophobicContact CD1-CD1 3.09Å; L351-I370 HydrophobicContact CG-CD1 4.45Å; A366-I370 WeakPolarHBondContact O-CB 3.39Å; A366-I370 VanDerWaalsContact O-CG1 3.24Å; A366-I370 WeakPolarHBondContact O-CG1 3.12Å; A366-I370 PolarHBondContact O-N 3.04Å; I370-Q373 PolarHBondContact O-N 2.99Å; I370-I374 HydrophobicContact CG2-CD1 3.53Å; I370-I374 HydrophobicContact CG2-CG1 4.24Å; I370-I374 WeakPolarHBondContact O-CB 3.48Å; I370-I374 VanDerWaalsContact O-CG1 3.26Å; I370-I374 WeakPolarHBondContact O-CG1 3.49Å; I370-I374 PolarHBondContact O-N 2.9Å
371S79.5Confident75.7Confident59 Ų5948.9 Ų48.941%0.41326%0.262SS..Hα-helixtrans-62.2-46.917854.90000111.8W367 R368 V369 Q373 I374 V375W367-S371 VanDerWaalsContact O-CB 3.25Å; W367-S371 WeakPolarHBondContact O-CB 3.16Å; W367-S371 PolarHBondContact O-N 3.13Å; W367-S371 PolarHBondContact O-OG 3.25Å; R368-S371 WeakPolarHBondContact CA-OG 3.23Å; R368-S371 PolarHBondContact O-OG 2.85Å; V369-S371 VanDerWaalsContact C-N 3.34Å; V369-S371 PolarHBondContact O-N 3.23Å; S371-Q373 VanDerWaalsContact C-N 3.29Å; S371-Q373 PolarHBondContact O-N 2.77Å; S371-I374 PolarHBondContact O-N 2.81Å; S371-V375 WeakPolarHBondContact O-CB 3.36Å; S371-V375 VanDerWaalsContact O-CG2 3.25Å; S371-V375 WeakPolarHBondContact O-CG2 3.38Å; S371-V375 PolarHBondContact O-N 3.46Å
372T76.8Confident76.7Confident14 Ų1445 Ų459%0.08624%0.244CC..Hα-helixtrans-56.5-45.3173.8-56.70000110.8R368 V369 V375 C376 S578 D579R368-T372 VanDerWaalsContact O-CB 3.31Å; R368-T372 WeakPolarHBondContact O-CB 3.44Å; R368-T372 PolarHBondContact O-N 3.32Å; R368-T372 VanDerWaalsContact O-N 3.07Å; R368-T372 PolarHBondContact O-OG1 3.22Å; V369-T372 WeakPolarHBondContact O-CB 3.18Å; V369-T372 PolarHBondContact O-N 2.68Å; V369-T372 VanDerWaalsContact O-N 3.14Å; T372-V375 PolarHBondContact O-N 3.42Å; T372-C376 WeakPolarHBondContact O-CB 3.34Å; T372-C376 PolarHBondContact O-N 3.38Å; T372-C376 PolarHBondContact O-SG 3.41Å; T372-S578 WeakPolarHBondContact CG2-OG 3.47Å; T372-D579 WeakPolarHBondContact CG2-OD1 3.46Å
373Q80.7Confident77.8Confident3 Ų340.7 Ų40.71%0.01422%0.221CC..Hα-helixtrans-62.6-50.5179.6-63.9-46.6-16.300112.6F314 H316 V369 I370 S371 V375 C376 L377F314-Q373 HydrophobicContact CD2-CB 4.24Å; F314-Q373 HydrophobicContact CD2-CG 4.21Å; F314-Q373 HydrophobicContact CE1-CB 4.33Å; F314-Q373 HydrophobicContact CE1-CG 4.39Å; F314-Q373 HydrophobicContact CE2-CB 3.43Å; F314-Q373 VanDerWaalsContact CE2-CB 3.43Å; F314-Q373 HydrophobicContact CE2-CG 3.86Å; F314-Q373 HydrophobicContact CZ-CB 3.48Å; F314-Q373 VanDerWaalsContact CZ-CB 3.48Å; F314-Q373 HydrophobicContact CZ-CG 3.96Å; H316-Q373 PolarHBondContact O-NE2 3.4Å; V369-Q373 HydrophobicContact CG1-CG 4.02Å; V369-Q373 VanDerWaalsContact O-CG 3.24Å; V369-Q373 WeakPolarHBondContact O-CG 3.26Å; V369-Q373 PolarHBondContact O-N 3.1Å; I370-Q373 PolarHBondContact O-N 2.99Å; S371-Q373 VanDerWaalsContact C-N 3.29Å; S371-Q373 PolarHBondContact O-N 2.77Å; Q373-V375 VanDerWaalsContact C-N 3.31Å; Q373-V375 PolarHBondContact O-N 3.36Å; Q373-C376 PolarHBondContact O-N 2.93Å; Q373-L377 WeakPolarHBondContact O-CB 3.37Å; Q373-L377 VanDerWaalsContact O-CG 3.3Å; Q373-L377 WeakPolarHBondContact O-CG 3.46Å; Q373-L377 PolarHBondContact O-N 3.49Å
374I86Confident78.7Confident20 Ų2040.1 Ų40.110%0.10322%0.221CC..Hα-helixtrans-60.4-44.6-180-70.2168.6000109.8F314 I344 I348 I370 S371 C376 L377 C378 I383 F385 L388F314-I374 HydrophobicContact CZ-CG1 4.48Å; I344-I374 HydrophobicContact CG2-CD1 3.78Å; I344-I374 HydrophobicContact CG2-CG1 3.96Å; I348-I374 HydrophobicContact CD1-CD1 4.08Å; I370-I374 HydrophobicContact CG2-CD1 3.53Å; I370-I374 HydrophobicContact CG2-CG1 4.24Å; I370-I374 WeakPolarHBondContact O-CB 3.48Å; I370-I374 VanDerWaalsContact O-CG1 3.26Å; I370-I374 WeakPolarHBondContact O-CG1 3.49Å; I370-I374 PolarHBondContact O-N 2.9Å; S371-I374 PolarHBondContact O-N 2.81Å; I374-C376 VanDerWaalsContact C-N 3.33Å; I374-C376 PolarHBondContact O-N 3.21Å; I374-L377 PolarHBondContact O-N 2.73Å; I374-C378 VanDerWaalsContact O-CB 3.3Å; I374-C378 WeakPolarHBondContact O-CB 3.46Å; I374-C378 PolarHBondContact O-N 3.4Å; I374-C378 PolarHBondContact O-SG 2.96Å; I374-I383 HydrophobicContact CG2-CD1 4.2Å; I374-F385 HydrophobicContact CG2-CD2 4.24Å; I374-L388 HydrophobicContact CD1-CD2 4.02Å; I374-L388 HydrophobicContact CG1-CD2 4.32Å; I374-L388 HydrophobicContact CG2-CD2 4.18Å
375V81.6Confident79.4Confident55 Ų5541.6 Ų41.633%0.33322%0.218SC..Hα-helixtrans-57.4-49.1176.6168.70000110S371 T372 Q373 C378 V379S371-V375 WeakPolarHBondContact O-CB 3.36Å; S371-V375 VanDerWaalsContact O-CG2 3.25Å; S371-V375 WeakPolarHBondContact O-CG2 3.38Å; S371-V375 PolarHBondContact O-N 3.46Å; T372-V375 PolarHBondContact O-N 3.42Å; Q373-V375 VanDerWaalsContact C-N 3.31Å; Q373-V375 PolarHBondContact O-N 3.36Å; V375-C378 PolarHBondContact O-N 3.02Å; V375-V379 VanDerWaalsContact O-CG2 3.27Å; V375-V379 WeakPolarHBondContact O-CG2 3.46Å; V375-V379 PolarHBondContact O-N 3.27Å
376C77.2Confident80.1Confident11 Ų1143.7 Ų43.77%0.07423%0.233CC..Hα-helixtrans-66.9-42.9-178.7-670000113.3Y319 R320 T372 Q373 I374 C378 V379 Q380Y319-C376 WeakPolarHBondContact OH-CB 3.43Å; Y319-C376 PolarHBondContact OH-SG 2.89Å; Y319-C376 VanDerWaalsContact OH-SG 3.38Å; R320-C376 PolarHBondContact NH2-SG 2.95Å; T372-C376 WeakPolarHBondContact O-CB 3.34Å; T372-C376 PolarHBondContact O-N 3.38Å; T372-C376 PolarHBondContact O-SG 3.41Å; Q373-C376 PolarHBondContact O-N 2.93Å; I374-C376 VanDerWaalsContact C-N 3.33Å; I374-C376 PolarHBondContact O-N 3.21Å; C376-C378 VanDerWaalsContact C-N 3.3Å; C376-C378 PolarHBondContact O-N 2.68Å; C376-V379 PolarHBondContact O-N 2.87Å; C376-Q380 WeakPolarHBondContact O-CB 3.18Å; C376-Q380 VanDerWaalsContact O-CG 3.3Å; C376-Q380 WeakPolarHBondContact O-CG 3.27Å; C376-Q380 PolarHBondContact O-N 2.77Å
377L81.1Confident80.6Confident4 Ų447.1 Ų47.12%0.02124%0.244CC..Hα-helixtrans-64.4-35.7177.3-69.2177.4000111.7F314 L340 I344 Q373 I374 Q380 M381 F382 I383F314-L377 HydrophobicContact CD2-CD1 4.49Å; F314-L377 HydrophobicContact CE2-CD1 3.75Å; L340-L377 HydrophobicContact CD2-CD1 3.92Å; L340-L377 HydrophobicContact CD2-CD2 4.48Å; I344-L377 HydrophobicContact CD1-CD1 3.85Å; Q373-L377 WeakPolarHBondContact O-CB 3.37Å; Q373-L377 VanDerWaalsContact O-CG 3.3Å; Q373-L377 WeakPolarHBondContact O-CG 3.46Å; Q373-L377 PolarHBondContact O-N 3.49Å; I374-L377 PolarHBondContact O-N 2.73Å; L377-Q380 CarbonylContact O-C 3.56Å; L377-Q380 PolarHBondContact O-N 3.1Å; L377-M381 PolarHBondContact O-N 3.33Å; L377-M381 VanDerWaalsContact O-N 3.08Å; L377-F382 HydrophobicContact CD2-CB 4.15Å; L377-F382 HydrophobicContact CD2-CD2 3.78Å; L377-F382 HydrophobicContact CD2-CG 4.46Å; L377-F382 PolarHBondContact O-N 3.3Å; L377-I383 HydrophobicContact CB-CD1 3.66Å; L377-I383 HydrophobicContact CB-CG1 3.68Å; L377-I383 HydrophobicContact CB-CG2 4.34Å; L377-I383 HydrophobicContact CD1-CD1 4.08Å; L377-I383 HydrophobicContact CD1-CG2 4.28Å
378C83.6Confident80.9Confident31 Ų3143.3 Ų43.321%0.20923%0.23CC..Hα-helixtrans-65.8-46.3172.3-69.50000111.4I374 V375 C376 Q380 M381I374-C378 VanDerWaalsContact O-CB 3.3Å; I374-C378 WeakPolarHBondContact O-CB 3.46Å; I374-C378 PolarHBondContact O-N 3.4Å; I374-C378 PolarHBondContact O-SG 2.96Å; V375-C378 PolarHBondContact O-N 3.02Å; C376-C378 VanDerWaalsContact C-N 3.3Å; C376-C378 PolarHBondContact O-N 2.68Å; C378-Q380 PolarHBondContact O-N 3.45Å; C378-M381 WeakPolarHBondContact O-CA 3.5Å; C378-M381 PolarHBondContact O-N 3.5Å
379V79.4Confident81.4Confident93 Ų9344.2 Ų44.256%0.56424%0.241SC*.Hα-helixtrans-61.3-35.1177.2169.20000111.2V375 C376 M381 M582V375-V379 VanDerWaalsContact O-CG2 3.27Å; V375-V379 WeakPolarHBondContact O-CG2 3.46Å; V375-V379 PolarHBondContact O-N 3.27Å; C376-V379 PolarHBondContact O-N 2.87Å; V379-M381 VanDerWaalsContact C-N 3.27Å; V379-M381 PolarHBondContact O-N 2.89Å; V379-M582 HydrophobicContact CG2-CE 4.46Å
380Q78.1Confident81.4Confident78 Ų7848.4 Ų48.436%0.36426%0.259SS..THydrogen-bonded Turntrans-81.1-3175.2-68.6175.9-35.700113.5C376 L377 C378 F382C376-Q380 WeakPolarHBondContact O-CB 3.18Å; C376-Q380 VanDerWaalsContact O-CG 3.3Å; C376-Q380 WeakPolarHBondContact O-CG 3.27Å; C376-Q380 PolarHBondContact O-N 2.77Å; L377-Q380 CarbonylContact O-C 3.56Å; L377-Q380 PolarHBondContact O-N 3.1Å; C378-Q380 PolarHBondContact O-N 3.45Å; Q380-F382 HydrophobicContact CB-CD2 3.6Å; Q380-F382 HydrophobicContact CB-CE2 3.68Å; Q380-F382 HydrophobicContact CB-CG 4.14Å; Q380-F382 HydrophobicContact CB-CZ 4.28Å; Q380-F382 HydrophobicContact CG-CD2 4.49Å; Q380-F382 HydrophobicContact CG-CE2 4.25Å; Q380-F382 PolarHBondContact O-N 3.39Å; Q380-F382 VanDerWaalsContact OE1-CE2 3.32Å
381M79.6Confident80.9Confident115 Ų11549.5 Ų49.557%0.56727%0.265SS*.THydrogen-bonded Turntrans60.722.2-178.4-55-72.3-72.200114.2L377 C378 V379L377-M381 PolarHBondContact O-N 3.33Å; L377-M381 VanDerWaalsContact O-N 3.08Å; C378-M381 WeakPolarHBondContact O-CA 3.5Å; C378-M381 PolarHBondContact O-N 3.5Å; V379-M381 VanDerWaalsContact C-N 3.27Å; V379-M381 PolarHBondContact O-N 2.89Å
382F79.8Confident80.9Confident22 Ų2248.2 Ų48.210%0.09625%0.254CS..SBendtrans-77.1-28.9176.6-67.3-35.9000112.6L329 E333 M335 L337 L377 Q380L329-F382 HydrophobicContact CB-CZ 4.49Å; L329-F382 HydrophobicContact CD1-CD2 4.38Å; L329-F382 HydrophobicContact CD1-CE1 4.07Å; L329-F382 HydrophobicContact CD1-CE2 3.89Å; L329-F382 HydrophobicContact CD1-CZ 3.73Å; L329-F382 HydrophobicContact CD2-CE1 4.06Å; L329-F382 HydrophobicContact CD2-CZ 4.39Å; L329-F382 HydrophobicContact CG-CZ 4.41Å; E333-F382 WeakPolarHBondContact O-CE1 3.49Å; M335-F382 WeakPolarHBondContact O-CD1 3.37Å; L337-F382 PolarHBondContact N-O 2.77Å; L377-F382 HydrophobicContact CD2-CB 4.15Å; L377-F382 HydrophobicContact CD2-CD2 3.78Å; L377-F382 HydrophobicContact CD2-CG 4.46Å; L377-F382 PolarHBondContact O-N 3.3Å; Q380-F382 HydrophobicContact CB-CD2 3.6Å; Q380-F382 HydrophobicContact CB-CE2 3.68Å; Q380-F382 HydrophobicContact CB-CG 4.14Å; Q380-F382 HydrophobicContact CB-CZ 4.28Å; Q380-F382 HydrophobicContact CG-CD2 4.49Å; Q380-F382 HydrophobicContact CG-CE2 4.25Å; Q380-F382 PolarHBondContact O-N 3.39Å; Q380-F382 VanDerWaalsContact OE1-CE2 3.32Å
383I85.3Confident80.6Confident6 Ų652.6 Ų52.63%0.03127%0.273CS..SBendtrans-128.7153.3174.768178.2000110.2L340 E341 I344 I374 L377L340-I383 HydrophobicContact CD2-CG2 4.07Å; L340-I383 HydrophobicContact CG-CG2 4.32Å; E341-I383 HydrophobicContact CG-CB 3.84Å; E341-I383 HydrophobicContact CG-CG2 3.88Å; I344-I383 HydrophobicContact CD1-CD1 3.84Å; I344-I383 HydrophobicContact CD1-CG2 4.23Å; I374-I383 HydrophobicContact CG2-CD1 4.2Å; L377-I383 HydrophobicContact CB-CD1 3.66Å; L377-I383 HydrophobicContact CB-CG1 3.68Å; L377-I383 HydrophobicContact CB-CG2 4.34Å; L377-I383 HydrophobicContact CD1-CD1 4.08Å; L377-I383 HydrophobicContact CD1-CG2 4.28Å
384S86Confident79.9Confident34 Ų3459.6 Ų59.624%0.23831%0.305CS..  trans-98.4118168.7174.70000110E341 T386 R387 L388E341-S384 PolarHBondContact OE1-N 2.91Å; S384-T386 PolarHBondContact O-N 3.24Å; S384-R387 PolarHBondContact O-N 3.45Å; S384-R387 PolarHBondContact OG-N 3.26Å; S384-L388 PolarHBondContact O-N 3.41Å
385F84.3Confident79.1Confident124 Ų12463.7 Ų63.754%0.54432%0.322SS..Hα-helixtrans-56.4-40.4174.6-174.5-105.1000111.8I374 R387 L388 V389I374-F385 HydrophobicContact CG2-CD2 4.24Å; F385-R387 PolarHBondContact O-N 3.19Å; F385-L388 PolarHBondContact O-N 3.48Å; F385-V389 HydrophobicContact CD1-CG2 4.1Å; F385-V389 HydrophobicContact CE1-CG2 3.69Å; F385-V389 HydrophobicContact CE2-CG2 4.16Å; F385-V389 HydrophobicContact CZ-CG2 3.72Å; F385-V389 WeakPolarHBondContact O-CG2 3.39Å; F385-V389 PolarHBondContact O-N 3.01Å
386T83.5Confident78.4Confident93 Ų9363.8 Ų63.857%0.57132%0.323SS*.Hα-helixtrans-59.7-44.6178.7-53.50000112S384 V389 Q390S384-T386 PolarHBondContact O-N 3.24Å; T386-V389 PolarHBondContact O-N 2.95Å; T386-Q390 VanDerWaalsContact O-CG 3.31Å; T386-Q390 WeakPolarHBondContact O-CG 3.42Å; T386-Q390 PolarHBondContact O-N 3.14Å
387R81.7Confident76.7Confident77 Ų7769.7 Ų69.729%0.29135%0.351SS..Hα-helixtrans-74.5-35.7-179.7-173165.142.2-155.2-12.4112.1E341 S384 F385 V389 Q390 N391E341-R387 IonicContact OE1-CZ 3.68Å; E341-R387 IonicContact OE1-NE 2.82Å; E341-R387 PolarHBondContact OE1-NE 2.85Å; E341-R387 IonicContact OE1-NH2 3.78Å; E341-R387 PolarHBondContact OE1-NH2 2.95Å; E341-R387 WeakPolarHBondContact OE2-CB 3.32Å; E341-R387 VanDerWaalsContact OE2-CD 3.24Å; E341-R387 WeakPolarHBondContact OE2-CD 3.39Å; E341-R387 WeakPolarHBondContact OE2-CG 3.41Å; E341-R387 IonicContact OE2-CZ 3.52Å; E341-R387 IonicContact OE2-NE 3.65Å; E341-R387 PolarHBondContact OE2-NE 3.32Å; E341-R387 IonicContact OE2-NH2 3.15Å; S384-R387 PolarHBondContact O-N 3.45Å; S384-R387 PolarHBondContact OG-N 3.26Å; F385-R387 PolarHBondContact O-N 3.19Å; R387-V389 VanDerWaalsContact C-N 3.32Å; R387-V389 PolarHBondContact O-N 3.36Å; R387-Q390 WeakPolarHBondContact O-CB 3.49Å; R387-Q390 PolarHBondContact O-N 3.45Å; R387-N391 WeakPolarHBondContact O-CB 3.38Å; R387-N391 VanDerWaalsContact O-CG 3.23Å; R387-N391 PolarHBondContact O-N 2.87Å; R387-N391 PolarHBondContact O-OD1 3.29Å
388L84.5Confident74.6Confident3 Ų376 Ų762%0.01639%0.39CS..Hα-helixtrans-57.4-45.9170.8-179.468.1000111.2E341 I344 S345 I374 S384 F385 N391 L392E341-L388 HydrophobicContact CB-CD1 4.44Å; E341-L388 VanDerWaalsContact O-CD1 3.29Å; E341-L388 WeakPolarHBondContact O-CD1 3.22Å; I344-L388 HydrophobicContact CB-CD1 3.91Å; I344-L388 HydrophobicContact CG2-CD1 3.73Å; I344-L388 HydrophobicContact CG2-CD2 3.96Å; S345-L388 WeakPolarHBondContact OG-CD1 3.39Å; I374-L388 HydrophobicContact CD1-CD2 4.02Å; I374-L388 HydrophobicContact CG1-CD2 4.32Å; I374-L388 HydrophobicContact CG2-CD2 4.18Å; S384-L388 PolarHBondContact O-N 3.41Å; F385-L388 PolarHBondContact O-N 3.48Å; L388-N391 PolarHBondContact O-N 3.44Å; L388-L392 HydrophobicContact CG-CD1 4.38Å; L388-L392 WeakPolarHBondContact O-CG 3.25Å; L388-L392 PolarHBondContact O-N 3.35Å
389V81.9Confident72.1Confident66 Ų6678.5 Ų78.540%0.442%0.421SS..Hα-helixtrans-65.1-39.9175.8173.10000111.4F385 T386 R387 L392 H393F385-V389 HydrophobicContact CD1-CG2 4.1Å; F385-V389 HydrophobicContact CE1-CG2 3.69Å; F385-V389 HydrophobicContact CE2-CG2 4.16Å; F385-V389 HydrophobicContact CZ-CG2 3.72Å; F385-V389 WeakPolarHBondContact O-CG2 3.39Å; F385-V389 PolarHBondContact O-N 3.01Å; T386-V389 PolarHBondContact O-N 2.95Å; R387-V389 VanDerWaalsContact C-N 3.32Å; R387-V389 PolarHBondContact O-N 3.36Å; V389-L392 PolarHBondContact O-N 2.88Å; V389-H393 WeakPolarHBondContact O-CB 3.46Å; V389-H393 PolarHBondContact O-N 3.46Å
390Q76.1Confident69.7Low104 Ų10481.7 Ų81.749%0.48644%0.435SS..Hα-helixtrans-61.7-42.9174.3-73.8170.3-16.200112T386 R387 H393 Q394T386-Q390 VanDerWaalsContact O-CG 3.31Å; T386-Q390 WeakPolarHBondContact O-CG 3.42Å; T386-Q390 PolarHBondContact O-N 3.14Å; R387-Q390 WeakPolarHBondContact O-CB 3.49Å; R387-Q390 PolarHBondContact O-N 3.45Å; Q390-H393 PolarHBondContact O-N 3.03Å; Q390-Q394 WeakPolarHBondContact O-CB 3.28Å; Q390-Q394 VanDerWaalsContact O-CG 3.32Å; Q390-Q394 WeakPolarHBondContact O-CG 3.21Å; Q390-Q394 PolarHBondContact O-N 3.4Å
391N72.8Confident67.6Low28 Ų2886.2 Ų86.215%0.1546%0.461CS..Hα-helixtrans-63-44176.5-70.9-13000111.3S345 R387 L388 K395S345-N391 WeakPolarHBondContact OG-CB 3.4Å; R387-N391 WeakPolarHBondContact O-CB 3.38Å; R387-N391 VanDerWaalsContact O-CG 3.23Å; R387-N391 PolarHBondContact O-N 2.87Å; R387-N391 PolarHBondContact O-OD1 3.29Å; L388-N391 PolarHBondContact O-N 3.44Å; N391-K395 WeakPolarHBondContact O-CB 3.43Å; N391-K395 VanDerWaalsContact O-CG 3.25Å; N391-K395 WeakPolarHBondContact O-CG 3.08Å; N391-K395 PolarHBondContact O-N 2.72Å
392L78Confident65.2Low32 Ų3286.4 Ų86.417%0.16847%0.469CS..Hα-helixtrans-63.4-47.5174.2-74169.7000111.1I348 L349 L388 V389 Q394 K395 V396I348-L392 HydrophobicContact CB-CD2 4.06Å; I348-L392 HydrophobicContact CD1-CD1 3.9Å; I348-L392 HydrophobicContact CD1-CD2 4.42Å; I348-L392 HydrophobicContact CG2-CD1 4.37Å; I348-L392 HydrophobicContact CG2-CD2 3.77Å; L349-L392 HydrophobicContact CG-CD2 4.38Å; L388-L392 HydrophobicContact CG-CD1 4.38Å; L388-L392 WeakPolarHBondContact O-CG 3.25Å; L388-L392 PolarHBondContact O-N 3.35Å; V389-L392 PolarHBondContact O-N 2.88Å; L392-Q394 PolarHBondContact O-N 3.31Å; L392-K395 CarbonylContact O-C 3.49Å; L392-K395 PolarHBondContact O-N 2.83Å; L392-V396 VanDerWaalsContact O-CB 3.26Å; L392-V396 WeakPolarHBondContact O-CB 3.31Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 3.03Å
393H70.7Confident63.4Low106 Ų10692.6 Ų92.649%0.49150%0.496SS..Hα-helixtrans-58.3-45.5179.1176.5-86.5000112.2V389 Q390 K395 V396 M397V389-H393 WeakPolarHBondContact O-CB 3.46Å; V389-H393 PolarHBondContact O-N 3.46Å; Q390-H393 PolarHBondContact O-N 3.03Å; H393-K395 PolarHBondContact O-N 3.47Å; H393-V396 PolarHBondContact O-N 3.42Å; H393-M397 WeakPolarHBondContact NE2-CE 3.25Å; H393-M397 WeakPolarHBondContact O-CB 3.4Å; H393-M397 WeakPolarHBondContact O-CG 3.43Å; H393-M397 PolarHBondContact O-N 2.66Å
394Q67.5Low61.2Low149 Ų14999.5 Ų99.570%0.69653%0.532SS*.Hα-helixtrans-61.3-30.8175.3-74.8177.8-000112.7Q390 L392Q390-Q394 WeakPolarHBondContact O-CB 3.28Å; Q390-Q394 VanDerWaalsContact O-CG 3.32Å; Q390-Q394 WeakPolarHBondContact O-CG 3.21Å; Q390-Q394 PolarHBondContact O-N 3.4Å; L392-Q394 PolarHBondContact O-N 3.31Å
395K69.3Low59.3Low106 Ų106100.7 Ų100.746%0.46153%0.534SS..Hα-helixtrans-90.2-27.1-179.1-69.2177.7-177.3-173.70114.3L349 N391 L392 H393L349-K395 HydrophobicContact CD1-CB 3.77Å; L349-K395 HydrophobicContact CD1-CD 3.56Å; L349-K395 HydrophobicContact CD1-CG 4.26Å; N391-K395 WeakPolarHBondContact O-CB 3.43Å; N391-K395 VanDerWaalsContact O-CG 3.25Å; N391-K395 WeakPolarHBondContact O-CG 3.08Å; N391-K395 PolarHBondContact O-N 2.72Å; L392-K395 CarbonylContact O-C 3.49Å; L392-K395 PolarHBondContact O-N 2.83Å; H393-K395 PolarHBondContact O-N 3.47Å
396V66.1Low57.7Low58 Ų5897.8 Ų97.835%0.35253%0.53SS..Hα-helixtrans-97.9-14.6-171.1175.70000113L349 M352 L392 H393 T398L349-V396 HydrophobicContact CD2-CG2 3.47Å; L349-V396 VanDerWaalsContact CD2-CG2 3.47Å; M352-V396 HydrophobicContact CE-CG1 4.45Å; L392-V396 VanDerWaalsContact O-CB 3.26Å; L392-V396 WeakPolarHBondContact O-CB 3.31Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 3.03Å; H393-V396 PolarHBondContact O-N 3.42Å; V396-T398 VanDerWaalsContact C-N 3.28Å; V396-T398 PolarHBondContact O-N 3.06Å
397M40.8Very low56.5Low135 Ų13594.5 Ų94.567%0.66551%0.514SS*.  trans-59.476.8-173.8-101.2-79.4-175.400114.7H393H393-M397 WeakPolarHBondContact NE2-CE 3.25Å; H393-M397 WeakPolarHBondContact O-CB 3.4Å; H393-M397 WeakPolarHBondContact O-CG 3.43Å; H393-M397 PolarHBondContact O-N 2.66Å
398T37Very low55.5Low137 Ų13795.4 Ų95.484%0.8453%0.532SS*.  trans-165.1112.115845.80000107.6V396V396-T398 VanDerWaalsContact C-N 3.28Å; V396-T398 PolarHBondContact O-N 3.06Å
399G31.9Very low54.7Low82 Ų8298.8 Ų98.885%0.84555%0.55SS**  trans149.9116.8166.200000115.3
400N29.4Very low54.1Low161 Ų16197.1 Ų97.186%0.86154%0.542SS*.  trans-108.2125.6170-75.8-31.8000107.6
401D33.6Very low53.7Low172 Ų17293.5 Ų93.592%0.9253%0.528SS*.  trans-145.7138.9162.7-92.6-36.6000112.7
402T29.9Very low53.6Low120 Ų12092.2 Ų92.274%0.73652%0.521SS*.  trans-102.2135.5179.9420000110.3
403F40.7Very low53.4Low151 Ų15191.4 Ų91.466%0.66252%0.517SS*.  trans-146.7153.8-176.7-161.1-98.9000114.9K415F403-K415 HydrophobicContact CD1-CD 4.21Å; F403-K415 HydrophobicContact CE1-CD 4.09Å
404I40.5Very low53.3Low151 Ų15192.7 Ų92.777%0.77453%0.527SS*.  trans-107.3144.2-172.3-61.4171.4000110.8
405M46.2Very low53.4Low59 Ų5989.5 Ų89.529%0.29151%0.511SS..  trans-97.6146.1-173.1-75.2-150.268.900115.5C412 M416 F446M405-C412 HydrophobicContact CE-CB 3.5Å; M405-M416 HydrophobicContact CE-CG 3.65Å; M405-M416 HydrophobicContact CE-SD 4.3Å; M405-M416 HydrophobicContact SD-CE 4.19Å; M405-M416 HydrophobicContact SD-CG 3.56Å; M405-M416 VanDerWaalsContact SD-CG 3.56Å; M405-M416 HydrophobicContact SD-SD 3.38Å; M405-F446 HydrophobicContact SD-CE1 4.48Å
406S50.8Low53.6Low64 Ų6484.5 Ų84.545%0.44849%0.489SS..  trans-125.1146.314883.70000108.9C412S406-C412 WeakPolarHBondContact O-CB 3.38Å
407G56.6Low54.1Low24 Ų2483.9 Ų83.925%0.24749%0.49CS..SBendtrans-100.64.9-174.600000115.2N461G407-N461 PolarHBondContact O-OD1 2.89Å
408S61.9Low55.5Low96 Ų9680.3 Ų80.367%0.67148%0.482SS*.SBendtrans-87.5-5.4-172.852.40000114.5
409D66.2Low57.5Low73 Ų7373.8 Ų73.839%0.3944%0.442SS..SBendtrans-130149.2-175.4173.331.7000110.2S411 C412D409-S411 PolarHBondContact O-N 3.25Å; D409-S411 VanDerWaalsContact O-N 3.12Å; D409-S411 WeakPolarHBondContact OD2-CB 3.43Å; D409-S411 PolarHBondContact OD2-OG 3.33Å; D409-C412 WeakPolarHBondContact O-CB 3.27Å; D409-C412 PolarHBondContact O-N 3.42Å; D409-C412 VanDerWaalsContact O-N 3.08Å; D409-C412 PolarHBondContact O-SG 3.33Å
410S69.7Low60Low32 Ų3270.4 Ų70.422%0.22441%0.405CS..THydrogen-bonded Turntrans-58.3-24.1-179.959.90000112.4C412 V413S410-C412 PolarHBondContact O-N 3.37Å; S410-V413 WeakPolarHBondContact O-CB 3.5Å; S410-V413 PolarHBondContact O-N 3.01Å
411S68.5Low62.5Low28 Ų2867.4 Ų67.420%0.19639%0.392CS..Hα-helixtrans-56.4-23.717468.90000114.3D409 V413 L414 K415D409-S411 PolarHBondContact O-N 3.25Å; D409-S411 VanDerWaalsContact O-N 3.12Å; D409-S411 WeakPolarHBondContact OD2-CB 3.43Å; D409-S411 PolarHBondContact OD2-OG 3.33Å; S411-V413 PolarHBondContact O-N 2.84Å; S411-L414 PolarHBondContact O-N 3.08Å; S411-K415 WeakPolarHBondContact O-CG 3.38Å; S411-K415 PolarHBondContact O-N 3.35Å; S411-K415 VanDerWaalsContact O-N 3.08Å
412C70.9Confident64.6Low0 Ų061.8 Ų61.80%036%0.359CS..Hα-helixtrans-62.9-29.2175.4770000112.7M405 S406 D409 S410 K415 M416 Y462M405-C412 HydrophobicContact CE-CB 3.5Å; S406-C412 WeakPolarHBondContact O-CB 3.38Å; D409-C412 WeakPolarHBondContact O-CB 3.27Å; D409-C412 PolarHBondContact O-N 3.42Å; D409-C412 VanDerWaalsContact O-N 3.08Å; D409-C412 PolarHBondContact O-SG 3.33Å; S410-C412 PolarHBondContact O-N 3.37Å; C412-K415 PolarHBondContact O-N 3.15Å; C412-M416 WeakPolarHBondContact O-CB 3.48Å; C412-M416 WeakPolarHBondContact O-CG 3.32Å; C412-M416 PolarHBondContact O-N 3.22Å; C412-Y462 WeakPolarHBondContact SG-CB 3.22Å
413V74.2Confident67.2Low15 Ų1556.6 Ų56.69%0.09133%0.326CS..Hα-helixtrans-69.9-44179.3-1770000110.7S410 S411 M416 A417 Y462 A465 V466 C534S410-V413 WeakPolarHBondContact O-CB 3.5Å; S410-V413 PolarHBondContact O-N 3.01Å; S411-V413 PolarHBondContact O-N 2.84Å; V413-M416 PolarHBondContact O-N 2.81Å; V413-A417 PolarHBondContact O-N 2.88Å; V413-Y462 HydrophobicContact CG2-CD1 4.37Å; V413-A465 HydrophobicContact CG2-CB 4.07Å; V413-V466 HydrophobicContact CB-CG2 4.32Å; V413-V466 HydrophobicContact CG2-CG2 3.89Å; V413-C534 HydrophobicContact CB-CB 4.37Å; V413-C534 HydrophobicContact CG1-CB 4.15Å; V413-C534 WeakPolarHBondContact CG1-O 3.17Å; V413-C534 HydrophobicContact CG2-CB 3.93Å
414L68.5Low69.2Low134 Ų13452 Ų5270%0.70231%0.307SS*.Hα-helixtrans-61.6-46.2173.3-67.2172.7000110.9S411 M416 A417S411-L414 PolarHBondContact O-N 3.08Å; L414-M416 VanDerWaalsContact C-N 3.25Å; L414-M416 PolarHBondContact O-N 3.35Å; L414-A417 WeakPolarHBondContact O-CB 3.16Å; L414-A417 PolarHBondContact O-N 3.45Å
415K68Low71Confident82 Ų8246.5 Ų46.536%0.35728%0.283SS..Hα-helixtrans-62-30.1179.6-71.4167.3-180161.70113.4F403 S411 C412F403-K415 HydrophobicContact CD1-CD 4.21Å; F403-K415 HydrophobicContact CE1-CD 4.09Å; S411-K415 WeakPolarHBondContact O-CG 3.38Å; S411-K415 PolarHBondContact O-N 3.35Å; S411-K415 VanDerWaalsContact O-N 3.08Å; C412-K415 PolarHBondContact O-N 3.15Å
416M75.3Confident72.5Confident1 Ų147.3 Ų47.31%0.00529%0.288CS..Hα-helixtrans-99-0.7-179.1-68.2-67.9-84.600113.8M405 C412 V413 L414 A418 T419 C420 Q443 F446 L447 V466M405-M416 HydrophobicContact CE-CG 3.65Å; M405-M416 HydrophobicContact CE-SD 4.3Å; M405-M416 HydrophobicContact SD-CE 4.19Å; M405-M416 HydrophobicContact SD-CG 3.56Å; M405-M416 VanDerWaalsContact SD-CG 3.56Å; M405-M416 HydrophobicContact SD-SD 3.38Å; C412-M416 WeakPolarHBondContact O-CB 3.48Å; C412-M416 WeakPolarHBondContact O-CG 3.32Å; C412-M416 PolarHBondContact O-N 3.22Å; V413-M416 PolarHBondContact O-N 2.81Å; L414-M416 VanDerWaalsContact C-N 3.25Å; L414-M416 PolarHBondContact O-N 3.35Å; M416-A418 VanDerWaalsContact C-N 3.31Å; M416-A418 PolarHBondContact O-N 3.15Å; M416-T419 HydrophobicContact CE-CG2 4.45Å; M416-T419 PolarHBondContact O-N 3.1Å; M416-T419 VanDerWaalsContact O-N 3.13Å; M416-C420 PolarHBondContact O-N 3.09Å; M416-C420 PolarHBondContact O-SG 2.89Å; M416-Q443 HydrophobicContact CE-CB 3.82Å; M416-Q443 HydrophobicContact CE-CG 4.27Å; M416-Q443 HydrophobicContact SD-CB 3.85Å; M416-Q443 VanDerWaalsContact SD-CD 3.56Å; M416-Q443 HydrophobicContact SD-CG 3.7Å; M416-F446 HydrophobicContact CE-CD1 4.03Å; M416-L447 HydrophobicContact CE-CD1 3.83Å; M416-L447 HydrophobicContact CE-CD2 3.54Å; M416-L447 HydrophobicContact CE-CG 3.5Å; M416-V466 HydrophobicContact CB-CG1 3.5Å; M416-V466 HydrophobicContact CB-CG2 4.16Å; M416-V466 HydrophobicContact CE-CG1 4.41Å; M416-V466 HydrophobicContact CG-CG1 4.06Å
417A75.6Confident73.7Confident45 Ų4549 Ų4937%0.37229%0.288SS..Hα-helixtrans-58-43.6-176.800000111.9V413 L414 T419 C420 V421V413-A417 PolarHBondContact O-N 2.88Å; L414-A417 WeakPolarHBondContact O-CB 3.16Å; L414-A417 PolarHBondContact O-N 3.45Å; A417-T419 VanDerWaalsContact C-N 3.32Å; A417-T419 PolarHBondContact O-N 2.86Å; A417-C420 WeakPolarHBondContact O-CB 3.19Å; A417-C420 PolarHBondContact O-N 3.36Å; A417-V421 WeakPolarHBondContact O-CG2 3.19Å; A417-V421 PolarHBondContact O-N 3.29Å
418A71.1Confident74.5Confident59 Ų5956.9 Ų56.949%0.48832%0.316SS..Hα-helixtrans-59.5-41.5177.300000112.3M416 V421 W422 I440M416-A418 VanDerWaalsContact C-N 3.31Å; M416-A418 PolarHBondContact O-N 3.15Å; A418-V421 PolarHBondContact O-N 3.22Å; A418-W422 PolarHBondContact O-N 3.49Å; A418-I440 HydrophobicContact CB-CD1 4.22Å
419T78.5Confident74.9Confident0 Ų055.4 Ų55.40%030%0.3CS..Hα-helixtrans-67.4-41.1175.7-74.50000112.1M416 A417 V421 W422 I423 I440 Q443 M444 L447M416-T419 HydrophobicContact CE-CG2 4.45Å; M416-T419 PolarHBondContact O-N 3.1Å; M416-T419 VanDerWaalsContact O-N 3.13Å; A417-T419 VanDerWaalsContact C-N 3.32Å; A417-T419 PolarHBondContact O-N 2.86Å; T419-V421 VanDerWaalsContact C-N 3.32Å; T419-V421 PolarHBondContact O-N 2.97Å; T419-W422 PolarHBondContact O-N 3.36Å; T419-I423 HydrophobicContact CG2-CD1 4.11Å; T419-I423 WeakPolarHBondContact O-CG1 3.45Å; T419-I423 PolarHBondContact O-N 3.48Å; T419-I440 VanDerWaalsContact OG1-CD1 3.27Å; T419-I440 WeakPolarHBondContact OG1-CD1 3.27Å; T419-Q443 HydrophobicContact CG2-CB 3.94Å; T419-Q443 WeakPolarHBondContact OG1-CB 3.25Å; T419-Q443 PolarHBondContact OG1-OE1 2.9Å; T419-M444 HydrophobicContact CG2-CG 3.74Å; T419-L447 HydrophobicContact CG2-CD1 3.84Å
420C84.5Confident74.8Confident11 Ų1155.7 Ų55.77%0.07431%0.306CS..Hα-helixtrans-57.5-48.4173.6-61.40000110.4M416 A417 W422 I423 H424 A470M416-C420 PolarHBondContact O-N 3.09Å; M416-C420 PolarHBondContact O-SG 2.89Å; A417-C420 WeakPolarHBondContact O-CB 3.19Å; A417-C420 PolarHBondContact O-N 3.36Å; C420-W422 VanDerWaalsContact C-N 3.32Å; C420-W422 PolarHBondContact O-N 3.04Å; C420-I423 PolarHBondContact O-N 3.43Å; C420-H424 PolarHBondContact O-CD2 3.42Å; C420-H424 PolarHBondContact O-N 3.14Å; C420-A470 HydrophobicContact CB-CB 4.29Å
421V80.6Confident74.6Confident98 Ų9859.5 Ų59.559%0.59434%0.339SS*.Hα-helixtrans-59-42.8177.1172.70000111.4A417 A418 T419 I423 H424 A425A417-V421 WeakPolarHBondContact O-CG2 3.19Å; A417-V421 PolarHBondContact O-N 3.29Å; A418-V421 PolarHBondContact O-N 3.22Å; T419-V421 VanDerWaalsContact C-N 3.32Å; T419-V421 PolarHBondContact O-N 2.97Å; V421-I423 PolarHBondContact O-N 3.47Å; V421-H424 WeakPolarHBondContact O-CB 3.45Å; V421-H424 PolarHBondContact O-N 2.89Å; V421-A425 PolarHBondContact O-N 3.36Å
422W78.6Confident74.3Confident55 Ų5562.1 Ų62.121%0.20837%0.371CS..Hα-helixtrans-61.1-42.8176.9-111.7109.6000112.7A418 T419 C420 H424 A425 M426 L429 I434 I436 I440A418-W422 PolarHBondContact O-N 3.49Å; T419-W422 PolarHBondContact O-N 3.36Å; C420-W422 VanDerWaalsContact C-N 3.32Å; C420-W422 PolarHBondContact O-N 3.04Å; W422-H424 VanDerWaalsContact C-N 3.31Å; W422-H424 PolarHBondContact O-N 3.44Å; W422-A425 PolarHBondContact O-N 2.97Å; W422-A425 VanDerWaalsContact O-N 3.14Å; W422-M426 HydrophobicContact CE3-CG 3.61Å; W422-M426 HydrophobicContact CE3-SD 4.36Å; W422-M426 HydrophobicContact CZ3-CG 3.83Å; W422-M426 HydrophobicContact CZ3-SD 4.38Å; W422-M426 VanDerWaalsContact O-CG 3.29Å; W422-M426 WeakPolarHBondContact O-CG 3.49Å; W422-M426 PolarHBondContact O-N 3.34Å; W422-L429 HydrophobicContact CZ3-CD1 4.45Å; W422-I434 HydrophobicContact CH2-CB 4.19Å; W422-I434 HydrophobicContact CH2-CG2 3.63Å; W422-I434 HydrophobicContact CZ2-CG2 4.25Å; W422-I436 HydrophobicContact CZ3-CG1 4.35Å; W422-I440 HydrophobicContact CB-CG2 3.73Å; W422-I440 HydrophobicContact CD2-CG2 4.41Å; W422-I440 HydrophobicContact CG-CG2 3.74Å
423I84.2Confident73.9Confident11 Ų1169.3 Ų69.36%0.05641%0.405CS..Hα-helixtrans-58.4-44.3175.7-69.6165.5000110.7T419 C420 V421 Q427 M444 L447 A470 Y471T419-I423 HydrophobicContact CG2-CD1 4.11Å; T419-I423 WeakPolarHBondContact O-CG1 3.45Å; T419-I423 PolarHBondContact O-N 3.48Å; C420-I423 PolarHBondContact O-N 3.43Å; V421-I423 PolarHBondContact O-N 3.47Å; I423-Q427 PolarHBondContact O-N 2.68Å; I423-M444 HydrophobicContact CD1-CG 4.26Å; I423-M444 HydrophobicContact CG1-CE 4.07Å; I423-M444 HydrophobicContact CG1-CG 4.05Å; I423-M444 HydrophobicContact CG1-SD 4.38Å; I423-L447 HydrophobicContact CD1-CD1 3.77Å; I423-A470 HydrophobicContact CD1-CB 3.81Å; I423-A470 WeakPolarHBondContact CG2-O 3.32Å; I423-Y471 HydrophobicContact CG2-CE1 4.4Å
424H83.2Confident73.5Confident54 Ų5472.8 Ų72.825%0.2542%0.422CS..Hα-helixtrans-64-40.6174.9-76.5-77.2000112.7C420 V421 W422 Q427 N469 A470 S472 S473C420-H424 PolarHBondContact O-CD2 3.42Å; C420-H424 PolarHBondContact O-N 3.14Å; V421-H424 WeakPolarHBondContact O-CB 3.45Å; V421-H424 PolarHBondContact O-N 2.89Å; W422-H424 VanDerWaalsContact C-N 3.31Å; W422-H424 PolarHBondContact O-N 3.44Å; H424-Q427 PolarHBondContact O-N 3.33Å; H424-N469 PolarHBondContact NE2-O 3.37Å; H424-A470 PolarHBondContact NE2-O 3.2Å; H424-S472 PolarHBondContact CE1-OG 3.06Å; H424-S472 PolarHBondContact NE2-OG 3.47Å; H424-S473 VanDerWaalsContact CE1-CB 3.45Å; H424-S473 WeakPolarHBondContact CE1-CB 3.31Å; H424-S473 PolarHBondContact CE1-OG 2.82Å; H424-S473 VanDerWaalsContact ND1-CB 3.34Å; H424-S473 WeakPolarHBondContact ND1-CB 3.06Å; H424-S473 PolarHBondContact ND1-OG 2.97Å
425A77.7Confident73.7Confident35 Ų3574 Ų7429%0.28943%0.429SS..Hα-helixtrans-65-43.4179.400000111.5V421 W422 Q427 K428 L429V421-A425 PolarHBondContact O-N 3.36Å; W422-A425 PolarHBondContact O-N 2.97Å; W422-A425 VanDerWaalsContact O-N 3.14Å; A425-Q427 PolarHBondContact O-N 3.23Å; A425-K428 PolarHBondContact O-N 3.13Å; A425-L429 HydrophobicContact CB-CD1 4.19Å; A425-L429 WeakPolarHBondContact O-CG 3.44Å; A425-L429 PolarHBondContact O-N 3.44Å
426M78.8Confident73.8Confident77 Ų7772.7 Ų72.738%0.37943%0.425SS..Hα-helixtrans-60.1-28.7178.3-68.1-142.478.500113.3W422 K428 I436 M444W422-M426 HydrophobicContact CE3-CG 3.61Å; W422-M426 HydrophobicContact CE3-SD 4.36Å; W422-M426 HydrophobicContact CZ3-CG 3.83Å; W422-M426 HydrophobicContact CZ3-SD 4.38Å; W422-M426 VanDerWaalsContact O-CG 3.29Å; W422-M426 WeakPolarHBondContact O-CG 3.49Å; W422-M426 PolarHBondContact O-N 3.34Å; M426-K428 PolarHBondContact O-N 2.9Å; M426-I436 HydrophobicContact CE-CD1 3.75Å; M426-I436 HydrophobicContact CE-CG1 4.11Å; M426-I436 HydrophobicContact SD-CD1 3.48Å; M426-I436 WeakPolarHBondContact SD-CD1 3.35Å; M426-I436 HydrophobicContact SD-CG1 4.01Å; M426-M444 HydrophobicContact SD-CE 4.2Å
427Q76.3Confident73.6Confident98 Ų9875.2 Ų75.246%0.45844%0.442SS..THydrogen-bonded Turntrans-71.3-19.2175.8-68.6-177.3-1000113.5I423 H424 A425 S473 T474I423-Q427 PolarHBondContact O-N 2.68Å; H424-Q427 PolarHBondContact O-N 3.33Å; A425-Q427 PolarHBondContact O-N 3.23Å; Q427-S473 PolarHBondContact OE1-OG 3.06Å; Q427-T474 PolarHBondContact NE2-OG1 3.47Å
428K73.2Confident73.5Confident190 Ų19078 Ų7883%0.82646%0.456SS*.THydrogen-bonded Turntrans-106.6-19.5-178.2-65.9-175.2178.9-179.40113.4A425 M426A425-K428 PolarHBondContact O-N 3.13Å; M426-K428 PolarHBondContact O-N 2.9Å
429L70.3Confident73.3Confident66 Ų6678.4 Ų78.435%0.34645%0.453SS..SBendtrans-81144.4-178.4-74162.6000111.2W422 A425 A431 I434W422-L429 HydrophobicContact CZ3-CD1 4.45Å; A425-L429 HydrophobicContact CB-CD1 4.19Å; A425-L429 WeakPolarHBondContact O-CG 3.44Å; A425-L429 PolarHBondContact O-N 3.44Å; L429-A431 PolarHBondContact O-N 2.87Å; L429-I434 HydrophobicContact CD1-CD1 3.72Å; L429-I434 HydrophobicContact CD2-CD1 3.76Å; L429-I434 HydrophobicContact CG-CD1 4.35Å
430P64Low73.2Confident79 Ų7979.2 Ų79.251%0.51346%0.457SS..PPolyproline II helixtrans-57137167.9-17.929.7000110.3G432P430-G432 PolarHBondContact O-N 2.93Å
431A64.9Low72.8Confident111 Ų11181.8 Ų81.892%0.91747%0.47SS*.THydrogen-bonded Turntrans-62.3122.2177.800000110.4L429L429-A431 PolarHBondContact O-N 2.87Å
432G62Low72.7Confident84 Ų8481.6 Ų81.687%0.86647%0.469SS*.THydrogen-bonded Turntrans108.7-2.3168.600000117.5P430P430-G432 PolarHBondContact O-N 2.93Å
433E62.6Low72.9Confident151 Ų15180.6 Ų80.671%0.70647%0.466SS*.SBendtrans-93.6-12.3-173.7-80.2-175.316100116.3
434I66.9Low72.8Confident88 Ų8881.1 Ų81.145%0.45147%0.469SS..  trans-136.7125.3-172.7-44.9-172.8000112.5W422 L429 I436W422-I434 HydrophobicContact CH2-CB 4.19Å; W422-I434 HydrophobicContact CH2-CG2 3.63Å; W422-I434 HydrophobicContact CZ2-CG2 4.25Å; L429-I434 HydrophobicContact CD1-CD1 3.72Å; L429-I434 HydrophobicContact CD2-CD1 3.76Å; L429-I434 HydrophobicContact CG-CD1 4.35Å; I434-I436 PolarHBondContact O-N 2.67Å
435D71.1Confident72.8Confident160 Ų16084 Ų8486%0.85648%0.481SS*.PPolyproline II helixtrans-68.8121.5171.6-76.5-35.2000111P437D435-P437 WeakPolarHBondContact O-CD 3.12Å
436I70.7Confident73.1Confident53 Ų5386.4 Ų86.427%0.27249%0.485SS..PPolyproline II helixtrans-76126.3178.1-54.3167.9000108.6W422 M426 I434 I440 N441 M444W422-I436 HydrophobicContact CZ3-CG1 4.35Å; M426-I436 HydrophobicContact CE-CD1 3.75Å; M426-I436 HydrophobicContact CE-CG1 4.11Å; M426-I436 HydrophobicContact SD-CD1 3.48Å; M426-I436 WeakPolarHBondContact SD-CD1 3.35Å; M426-I436 HydrophobicContact SD-CG1 4.01Å; I434-I436 PolarHBondContact O-N 2.67Å; I436-I440 HydrophobicContact CG2-CB 4.04Å; I436-I440 HydrophobicContact CG2-CG2 3.85Å; I436-N441 HydrophobicContact CG2-CB 4.09Å; I436-M444 HydrophobicContact CG2-SD 4.4Å
437P71.9Confident73.5Confident54 Ų5482.8 Ų82.835%0.35147%0.467SS..PPolyproline II helixtrans-54.8137.7175.9-26.434.3000112D435 T439 I440 N441D435-P437 WeakPolarHBondContact O-CD 3.12Å; P437-T439 PolarHBondContact O-N 3.49Å; P437-T439 VanDerWaalsContact O-N 3.12Å; P437-I440 HydrophobicContact CB-CB 4.36Å; P437-I440 HydrophobicContact CB-CG1 4.01Å; P437-I440 HydrophobicContact CG-CG1 4.2Å; P437-I440 WeakPolarHBondContact O-CB 3.33Å; P437-I440 PolarHBondContact O-N 3Å; P437-N441 PolarHBondContact O-N 3.18Å
438P72.8Confident73.9Confident104 Ų10482.8 Ų82.868%0.67547%0.467SS*.Hα-helixtrans-54.5-37.2-175.5-28.534.6000114.4N441 T442P438-N441 PolarHBondContact O-N 3.19Å; P438-T442 PolarHBondContact O-N 3.47Å; P438-T442 PolarHBondContact O-OG1 3.37Å
439T67.8Low74.4Confident68 Ų6879.1 Ų79.142%0.41745%0.453SS..Hα-helixtrans-64.5-45177.1-52.40000111.8P437 T442 Q443P437-T439 PolarHBondContact O-N 3.49Å; P437-T439 VanDerWaalsContact O-N 3.12Å; T439-T442 PolarHBondContact O-N 2.92Å; T439-Q443 WeakPolarHBondContact O-CG 3.44Å; T439-Q443 PolarHBondContact O-N 3.11Å
440I75.4Confident74.9Confident16 Ų1676.6 Ų76.68%0.08244%0.441CS..Hα-helixtrans-63.3-45176.7-61.7-63.6000109.8A418 T419 W422 I436 P437 T442 Q443 M444A418-I440 HydrophobicContact CB-CD1 4.22Å; T419-I440 VanDerWaalsContact OG1-CD1 3.27Å; T419-I440 WeakPolarHBondContact OG1-CD1 3.27Å; W422-I440 HydrophobicContact CB-CG2 3.73Å; W422-I440 HydrophobicContact CD2-CG2 4.41Å; W422-I440 HydrophobicContact CG-CG2 3.74Å; I436-I440 HydrophobicContact CG2-CB 4.04Å; I436-I440 HydrophobicContact CG2-CG2 3.85Å; P437-I440 HydrophobicContact CB-CB 4.36Å; P437-I440 HydrophobicContact CB-CG1 4.01Å; P437-I440 HydrophobicContact CG-CG1 4.2Å; P437-I440 WeakPolarHBondContact O-CB 3.33Å; P437-I440 PolarHBondContact O-N 3Å; I440-T442 VanDerWaalsContact C-N 3.29Å; I440-T442 PolarHBondContact O-N 3.28Å; I440-Q443 PolarHBondContact O-N 3.41Å; I440-M444 HydrophobicContact CG2-CG 4.16Å; I440-M444 HydrophobicContact CG2-SD 3.86Å; I440-M444 WeakPolarHBondContact O-CB 3.47Å; I440-M444 VanDerWaalsContact O-CG 3.24Å; I440-M444 WeakPolarHBondContact O-CG 3.39Å; I440-M444 PolarHBondContact O-N 3.3Å
441N76.9Confident75.7Confident65 Ų6574 Ų7435%0.34842%0.423SS..Hα-helixtrans-59.7-40.2177.8-167.23.8000111.8I436 P437 P438 M444 K445I436-N441 HydrophobicContact CG2-CB 4.09Å; P437-N441 PolarHBondContact O-N 3.18Å; P438-N441 PolarHBondContact O-N 3.19Å; N441-M444 PolarHBondContact O-N 3.4Å; N441-K445 WeakPolarHBondContact O-CG 3.38Å; N441-K445 PolarHBondContact O-N 2.78Å
442T78Confident76.5Confident94 Ų9477 Ų7758%0.57742%0.415SS*.Hα-helixtrans-65-46.1175.7-55.50000111.8P438 T439 I440 M444 K445 F446P438-T442 PolarHBondContact O-N 3.47Å; P438-T442 PolarHBondContact O-OG1 3.37Å; T439-T442 PolarHBondContact O-N 2.92Å; I440-T442 VanDerWaalsContact C-N 3.29Å; I440-T442 PolarHBondContact O-N 3.28Å; T442-M444 VanDerWaalsContact C-N 3.34Å; T442-M444 PolarHBondContact O-N 2.85Å; T442-K445 PolarHBondContact O-N 2.98Å; T442-F446 PolarHBondContact O-N 3.14Å
443Q81.6Confident76.9Confident34 Ų3478.7 Ų78.716%0.15940%0.399CS..Hα-helixtrans-63.9-38.1176.6-73.8-180-0.700112M416 T419 T439 I440 F446 L447M416-Q443 HydrophobicContact CE-CB 3.82Å; M416-Q443 HydrophobicContact CE-CG 4.27Å; M416-Q443 HydrophobicContact SD-CB 3.85Å; M416-Q443 VanDerWaalsContact SD-CD 3.56Å; M416-Q443 HydrophobicContact SD-CG 3.7Å; T419-Q443 HydrophobicContact CG2-CB 3.94Å; T419-Q443 WeakPolarHBondContact OG1-CB 3.25Å; T419-Q443 PolarHBondContact OG1-OE1 2.9Å; T439-Q443 WeakPolarHBondContact O-CG 3.44Å; T439-Q443 PolarHBondContact O-N 3.11Å; I440-Q443 PolarHBondContact O-N 3.41Å; Q443-F446 WeakPolarHBondContact O-CB 3.03Å; Q443-F446 PolarHBondContact O-N 3.2Å; Q443-L447 WeakPolarHBondContact O-CG 3.45Å; Q443-L447 PolarHBondContact O-N 3.41Å
444M82.8Confident76.7Confident23 Ų2377 Ų7711%0.11339%0.389CS..Hα-helixtrans-62.3-45.2174.2-74.1177.166.600111.6T419 I423 M426 I436 I440 N441 T442 F446 L447 Q448T419-M444 HydrophobicContact CG2-CG 3.74Å; I423-M444 HydrophobicContact CD1-CG 4.26Å; I423-M444 HydrophobicContact CG1-CE 4.07Å; I423-M444 HydrophobicContact CG1-CG 4.05Å; I423-M444 HydrophobicContact CG1-SD 4.38Å; M426-M444 HydrophobicContact SD-CE 4.2Å; I436-M444 HydrophobicContact CG2-SD 4.4Å; I440-M444 HydrophobicContact CG2-CG 4.16Å; I440-M444 HydrophobicContact CG2-SD 3.86Å; I440-M444 WeakPolarHBondContact O-CB 3.47Å; I440-M444 VanDerWaalsContact O-CG 3.24Å; I440-M444 WeakPolarHBondContact O-CG 3.39Å; I440-M444 PolarHBondContact O-N 3.3Å; N441-M444 PolarHBondContact O-N 3.4Å; T442-M444 VanDerWaalsContact C-N 3.34Å; T442-M444 PolarHBondContact O-N 2.85Å; M444-F446 VanDerWaalsContact C-N 3.32Å; M444-F446 PolarHBondContact O-N 3Å; M444-L447 PolarHBondContact O-N 3.37Å; M444-Q448 WeakPolarHBondContact O-CG 3.38Å; M444-Q448 PolarHBondContact O-N 3.11Å
445K83.5Confident76.3Confident113 Ų11375.3 Ų75.349%0.49139%0.393SS..Hα-helixtrans-59.7-43174.6-72.4174.7-175.4178.30111.5N441 T442 L447 Q448 E449N441-K445 WeakPolarHBondContact O-CG 3.38Å; N441-K445 PolarHBondContact O-N 2.78Å; T442-K445 PolarHBondContact O-N 2.98Å; K445-L447 VanDerWaalsContact C-N 3.34Å; K445-L447 PolarHBondContact O-N 3.19Å; K445-Q448 PolarHBondContact O-N 3.03Å; K445-E449 WeakPolarHBondContact O-CG 3.5Å; K445-E449 PolarHBondContact O-N 3.27Å
446F84.4Confident75.8Confident87 Ų8776.5 Ų76.538%0.38239%0.386SS..Hα-helixtrans-58.1-44.2174170.9-95.1000112.2M405 M416 T442 Q443 M444 E449 A450M405-F446 HydrophobicContact SD-CE1 4.48Å; M416-F446 HydrophobicContact CE-CD1 4.03Å; T442-F446 PolarHBondContact O-N 3.14Å; Q443-F446 WeakPolarHBondContact O-CB 3.03Å; Q443-F446 PolarHBondContact O-N 3.2Å; M444-F446 VanDerWaalsContact C-N 3.32Å; M444-F446 PolarHBondContact O-N 3Å; F446-E449 PolarHBondContact O-N 3.04Å; F446-A450 WeakPolarHBondContact O-CB 3.19Å; F446-A450 PolarHBondContact O-N 2.96Å
447L85.9Confident75.6Confident1 Ų175 Ų751%0.00538%0.377CS..Hα-helixtrans-65.3-39.8176.6-67.5-178.8000112.6M416 T419 I423 Q443 M444 K445 E449 A450 L451 V466 L467 A470M416-L447 HydrophobicContact CE-CD1 3.83Å; M416-L447 HydrophobicContact CE-CD2 3.54Å; M416-L447 HydrophobicContact CE-CG 3.5Å; T419-L447 HydrophobicContact CG2-CD1 3.84Å; I423-L447 HydrophobicContact CD1-CD1 3.77Å; Q443-L447 WeakPolarHBondContact O-CG 3.45Å; Q443-L447 PolarHBondContact O-N 3.41Å; M444-L447 PolarHBondContact O-N 3.37Å; K445-L447 VanDerWaalsContact C-N 3.34Å; K445-L447 PolarHBondContact O-N 3.19Å; L447-E449 VanDerWaalsContact C-N 3.33Å; L447-A450 PolarHBondContact O-N 2.96Å; L447-L451 PolarHBondContact O-N 3.05Å; L447-V466 HydrophobicContact CD1-CG1 4.21Å; L447-V466 HydrophobicContact CD2-CB 4.4Å; L447-V466 HydrophobicContact CD2-CG1 3.59Å; L447-L467 HydrophobicContact CB-CD2 4.11Å; L447-L467 HydrophobicContact CD2-CD2 4.01Å; L447-L467 WeakPolarHBondContact O-CD2 3.38Å; L447-A470 HydrophobicContact CD1-CB 4.02Å
448Q84.4Confident75.6Confident97 Ų9774.5 Ų74.545%0.45337%0.372SS..Hα-helixtrans-64-38.7175.1-70.8173.5-6.500111.8M444 K445 K452M444-Q448 WeakPolarHBondContact O-CG 3.38Å; M444-Q448 PolarHBondContact O-N 3.11Å; K445-Q448 PolarHBondContact O-N 3.03Å; Q448-K452 PolarHBondContact O-N 3.34Å
449E83.7Confident75.5Confident114 Ų11470.4 Ų70.453%0.53334%0.344SS..Hα-helixtrans-68.4-39173.1-74.9-177-174.700112.7K445 F446 L447 L451 K452K445-E449 WeakPolarHBondContact O-CG 3.5Å; K445-E449 PolarHBondContact O-N 3.27Å; F446-E449 PolarHBondContact O-N 3.04Å; L447-E449 VanDerWaalsContact C-N 3.33Å; E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.36Å; E449-K452 PolarHBondContact O-N 3.18Å
450A82Confident75.9Confident12 Ų1270.8 Ų70.810%0.09934%0.344CS..Hα-helixtrans-62.3-40.9175.500000111.1F446 L447 K452 K453 F457 V463 L467F446-A450 WeakPolarHBondContact O-CB 3.19Å; F446-A450 PolarHBondContact O-N 2.96Å; L447-A450 PolarHBondContact O-N 2.96Å; A450-K452 VanDerWaalsContact C-N 3.25Å; A450-K452 PolarHBondContact O-N 3.06Å; A450-K453 WeakPolarHBondContact O-CB 3.44Å; A450-K453 PolarHBondContact O-N 2.68Å; A450-F457 WeakPolarHBondContact O-CZ 3.47Å; A450-V463 HydrophobicContact CB-CG1 4.11Å; A450-L467 HydrophobicContact CB-CD1 4.2Å; A450-L467 HydrophobicContact CB-CD2 4.38Å
451L81.2Confident76Confident25 Ų2572.5 Ų72.513%0.13135%0.353CS..Hα-helixtrans-59.6-34.4176.5-166.672.2000112.5L447 E449 K453 L467 I477 L482L447-L451 PolarHBondContact O-N 3.05Å; E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.36Å; L451-K453 PolarHBondContact O-N 2.89Å; L451-L467 HydrophobicContact CB-CD2 4.5Å; L451-I477 HydrophobicContact CD1-CG2 3.93Å; L451-I477 HydrophobicContact CD2-CD1 4.37Å; L451-I477 HydrophobicContact CD2-CG2 3.89Å; L451-L482 HydrophobicContact CD1-CD1 4.41Å; L451-L482 HydrophobicContact CD1-CD2 3.94Å; L451-L482 HydrophobicContact CD1-CG 4.27Å
452K80.5Confident76.3Confident173 Ų17370 Ų7075%0.75234%0.339SS*.Hα-helixtrans-67-20.2175.7-66.6175.3-175.7177.40113Q448 E449 A450 K454Q448-K452 PolarHBondContact O-N 3.34Å; E449-K452 PolarHBondContact O-N 3.18Å; A450-K452 VanDerWaalsContact C-N 3.25Å; A450-K452 PolarHBondContact O-N 3.06Å; K452-K454 VanDerWaalsContact C-N 3.32Å; K452-K454 PolarHBondContact O-N 3.2Å
453K70.8Confident76.6Confident121 Ų12166.2 Ų66.253%0.52632%0.315SS..  trans-90.455.7-178.5-64.7177.8-177.7169.50112.2A450 L451 G455 R456A450-K453 WeakPolarHBondContact O-CB 3.44Å; A450-K453 PolarHBondContact O-N 2.68Å; L451-K453 PolarHBondContact O-N 2.89Å; K453-G455 PolarHBondContact O-N 3.07Å; K453-R456 PolarHBondContact O-N 2.78Å
454K59.2Low76.8Confident116 Ų11664.6 Ų64.650%0.50431%0.308SS..G310 helixtrans-51.3-33.1-173.6-63.4-172.8173.9-169.80115K452 R456 E481K452-K454 VanDerWaalsContact C-N 3.32Å; K452-K454 PolarHBondContact O-N 3.2Å; K454-R456 PolarHBondContact O-N 3.04Å; K454-E481 WeakPolarHBondContact CE-OE1 3.44Å; K454-E481 WeakPolarHBondContact CE-OE2 3.29Å; K454-E481 VanDerWaalsContact NZ-CD 3.3Å; K454-E481 IonicContact NZ-OE1 3.93Å; K454-E481 PolarHBondContact NZ-OE1 2.79Å; K454-E481 IonicContact NZ-OE2 3.18Å
455G58.3Low77Confident52 Ų5263.5 Ų63.554%0.53630%0.302SS..G310 helixtrans-82.516.6-174.600000117.4K453 L501K453-G455 PolarHBondContact O-N 3.07Å; G455-L501 VanDerWaalsContact O-CD2 3.28Å; G455-L501 WeakPolarHBondContact O-CD2 3.47Å
456R60.2Low77.2Confident184 Ų18458.3 Ų58.369%0.69428%0.28SS*.G310 helixtrans-133.110.2-174.7-70.2-171.3-179.7-176.30.7116K453 K454 N458K453-R456 PolarHBondContact O-N 2.78Å; K454-R456 PolarHBondContact O-N 3.04Å; R456-N458 PolarHBondContact O-N 2.72Å; R456-N458 VanDerWaalsContact O-N 3.17Å
457F67.2Low77.4Confident21 Ų2154.1 Ų54.19%0.09226%0.262CS..  trans-80.7101.4-178.9-63.2-53.8000110.8A450 L464 L467 C485A450-F457 WeakPolarHBondContact O-CZ 3.47Å; F457-L464 HydrophobicContact CB-CD1 3.99Å; F457-L464 HydrophobicContact CB-CD2 4.15Å; F457-L464 HydrophobicContact CB-CG 4.46Å; F457-L464 HydrophobicContact CD1-CB 4.24Å; F457-L464 HydrophobicContact CD1-CD1 4.09Å; F457-L464 HydrophobicContact CG-CD1 3.97Å; F457-L467 HydrophobicContact CD1-CD1 4.27Å; F457-L467 HydrophobicContact CE1-CD1 3.23Å; F457-L467 HydrophobicContact CE2-CD1 4.44Å; F457-L467 HydrophobicContact CZ-CD1 3.34Å; F457-C485 HydrophobicContact CB-CB 4.42Å
458N70.4Confident77.6Confident45 Ų4554.1 Ų54.124%0.24126%0.261CS..  trans-105.1147.2166-179.32.4000108.2R456 D460 N461R456-N458 PolarHBondContact O-N 2.72Å; R456-N458 VanDerWaalsContact O-N 3.17Å; N458-D460 PolarHBondContact ND2-OD2 3.12Å; N458-D460 PolarHBondContact O-N 3.4Å; N458-D460 PolarHBondContact OD1-N 2.89Å; N458-N461 WeakPolarHBondContact O-CA 3.35Å; N458-N461 WeakPolarHBondContact O-CB 3.42Å; N458-N461 PolarHBondContact O-N 3.49Å
459I71.7Confident77.9Confident17 Ų1750.4 Ų50.49%0.08725%0.245CC..THydrogen-bonded Turntrans-61.4-18.3172.654.5168.7000113.5N461 N489 L527 F531I459-N461 PolarHBondContact O-N 3.43Å; I459-N489 HydrophobicContact CG2-CB 4.3Å; I459-N489 VanDerWaalsContact CG2-CG 3.5Å; I459-N489 VanDerWaalsContact CG2-ND2 3.31Å; I459-N489 WeakPolarHBondContact CG2-ND2 3.2Å; I459-L527 HydrophobicContact CB-CD2 4.37Å; I459-L527 HydrophobicContact CD1-CD2 4.21Å; I459-L527 HydrophobicContact CG2-CD2 3.62Å; I459-F531 HydrophobicContact CG2-CE1 4.39Å; I459-F531 HydrophobicContact CG2-CZ 4.37Å; I459-F531 WeakPolarHBondContact O-CD2 3.5Å; I459-F531 WeakPolarHBondContact O-CE2 3.38Å
460D75.1Confident78.1Confident77 Ų7745 Ų4541%0.41222%0.219SC..THydrogen-bonded Turntrans-76.9-8.3169.5-60.2-50.4000112.9N458 K528N458-D460 PolarHBondContact ND2-OD2 3.12Å; N458-D460 PolarHBondContact O-N 3.4Å; N458-D460 PolarHBondContact OD1-N 2.89Å; D460-K528 IonicContact OD1-NZ 2.72Å; D460-K528 PolarHBondContact OD1-NZ 3.12Å
461N79.1Confident78.4Confident51 Ų5145.3 Ų45.327%0.27322%0.218SC..  trans-104103.4175.3-176.8-5.4000110.3G407 N458 I459 V463 L464G407-N461 PolarHBondContact O-OD1 2.89Å; N458-N461 WeakPolarHBondContact O-CA 3.35Å; N458-N461 WeakPolarHBondContact O-CB 3.42Å; N458-N461 PolarHBondContact O-N 3.49Å; I459-N461 PolarHBondContact O-N 3.43Å; N461-V463 PolarHBondContact O-N 3.49Å; N461-V463 VanDerWaalsContact OD1-CB 3.24Å; N461-V463 WeakPolarHBondContact OD1-CB 3.2Å; N461-V463 VanDerWaalsContact OD1-CG2 3.24Å; N461-V463 WeakPolarHBondContact OD1-CG2 3.32Å; N461-V463 PolarHBondContact OD1-N 3.49Å; N461-L464 WeakPolarHBondContact O-CB 3.37Å; N461-L464 PolarHBondContact O-N 3.02Å
462Y82.4Confident78.7Confident14 Ų1444.4 Ų44.46%0.05521%0.214CC..THydrogen-bonded Turntrans-64.7-11.9-178-71.1-83000114.3C412 V413 L464 A465 V466 E530 F531 C534C412-Y462 WeakPolarHBondContact SG-CB 3.22Å; V413-Y462 HydrophobicContact CG2-CD1 4.37Å; Y462-L464 PolarHBondContact O-N 3.36Å; Y462-A465 WeakPolarHBondContact O-CB 3.43Å; Y462-A465 PolarHBondContact O-N 3.18Å; Y462-V466 PolarHBondContact O-N 2.63Å; Y462-V466 VanDerWaalsContact O-N 3.11Å; Y462-E530 VanDerWaalsContact OH-CG 3.28Å; Y462-E530 WeakPolarHBondContact OH-CG 3.45Å; Y462-E530 PolarHBondContact OH-OE1 2.61Å; Y462-E530 PolarHBondContact OH-OE2 3.44Å; Y462-F531 HydrophobicContact CD1-CD2 4.11Å; Y462-F531 HydrophobicContact CE1-CB 4.32Å; Y462-F531 HydrophobicContact CE1-CD2 4.06Å; Y462-C534 HydrophobicContact CD1-CB 4.31Å
463V83.5Confident78.6Confident14 Ų1438.7 Ų38.79%0.08520%0.196CC..Hα-helixtrans-58.1-31.9168.2179.10000111.3A450 N461 A465 V466 L467A450-V463 HydrophobicContact CB-CG1 4.11Å; N461-V463 PolarHBondContact O-N 3.49Å; N461-V463 VanDerWaalsContact OD1-CB 3.24Å; N461-V463 WeakPolarHBondContact OD1-CB 3.2Å; N461-V463 VanDerWaalsContact OD1-CG2 3.24Å; N461-V463 WeakPolarHBondContact OD1-CG2 3.32Å; N461-V463 PolarHBondContact OD1-N 3.49Å; V463-A465 VanDerWaalsContact C-N 3.34Å; V463-A465 PolarHBondContact O-N 3.35Å; V463-V466 WeakPolarHBondContact O-CB 3.26Å; V463-V466 PolarHBondContact O-N 2.96Å; V463-L467 HydrophobicContact CG1-CD1 4.32Å; V463-L467 HydrophobicContact CG1-CG 4.46Å; V463-L467 WeakPolarHBondContact O-CG 3.39Å; V463-L467 PolarHBondContact O-N 2.92Å
464L86.9Confident78.8Confident0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-61.6-42.5173.2178.458000111.6F457 N461 Y462 V466 L467 C468 L482 C485 L486 F531F457-L464 HydrophobicContact CB-CD1 3.99Å; F457-L464 HydrophobicContact CB-CD2 4.15Å; F457-L464 HydrophobicContact CB-CG 4.46Å; F457-L464 HydrophobicContact CD1-CB 4.24Å; F457-L464 HydrophobicContact CD1-CD1 4.09Å; F457-L464 HydrophobicContact CG-CD1 3.97Å; N461-L464 WeakPolarHBondContact O-CB 3.37Å; N461-L464 PolarHBondContact O-N 3.02Å; Y462-L464 PolarHBondContact O-N 3.36Å; L464-V466 VanDerWaalsContact C-N 3.33Å; L464-V466 PolarHBondContact O-N 3.36Å; L464-L467 PolarHBondContact O-N 2.99Å; L464-C468 WeakPolarHBondContact O-CB 3.33Å; L464-C468 PolarHBondContact O-N 3.23Å; L464-C468 PolarHBondContact O-SG 2.93Å; L464-L482 HydrophobicContact CD1-CD2 4.35Å; L464-C485 HydrophobicContact CD1-CB 4.38Å; L464-L486 HydrophobicContact CD2-CD2 3.63Å; L464-L486 HydrophobicContact CD2-CG 4.45Å; L464-L486 HydrophobicContact CG-CD2 4.02Å; L464-F531 HydrophobicContact CD2-CZ 4.23Å; L464-F531 HydrophobicContact CG-CZ 4.36Å
465A87.4Confident79.5Confident0 Ų032.6 Ų32.60%018%0.182CC..Hα-helixtrans-62.4-41.8175.700000111.2V413 Y462 V463 C468 N469 F531 C534 L535V413-A465 HydrophobicContact CG2-CB 4.07Å; Y462-A465 WeakPolarHBondContact O-CB 3.43Å; Y462-A465 PolarHBondContact O-N 3.18Å; V463-A465 VanDerWaalsContact C-N 3.34Å; V463-A465 PolarHBondContact O-N 3.35Å; A465-C468 PolarHBondContact O-N 2.84Å; A465-N469 WeakPolarHBondContact O-CB 3.35Å; A465-N469 PolarHBondContact O-N 3.26Å; A465-N469 PolarHBondContact O-ND2 3Å; A465-F531 HydrophobicContact CB-CE2 3.99Å; A465-F531 HydrophobicContact CB-CZ 4.26Å; A465-C534 HydrophobicContact CB-CB 4.02Å; A465-L535 HydrophobicContact CB-CD2 3.75Å
466V86.3Confident80.7Confident3 Ų336 Ų362%0.01818%0.184CC..Hα-helixtrans-60.2-48.4175.3-176.10000111.6V413 M416 L447 Y462 V463 L464 C468 N469 A470V413-V466 HydrophobicContact CB-CG2 4.32Å; V413-V466 HydrophobicContact CG2-CG2 3.89Å; M416-V466 HydrophobicContact CB-CG1 3.5Å; M416-V466 HydrophobicContact CB-CG2 4.16Å; M416-V466 HydrophobicContact CE-CG1 4.41Å; M416-V466 HydrophobicContact CG-CG1 4.06Å; L447-V466 HydrophobicContact CD1-CG1 4.21Å; L447-V466 HydrophobicContact CD2-CB 4.4Å; L447-V466 HydrophobicContact CD2-CG1 3.59Å; Y462-V466 PolarHBondContact O-N 2.63Å; Y462-V466 VanDerWaalsContact O-N 3.11Å; V463-V466 WeakPolarHBondContact O-CB 3.26Å; V463-V466 PolarHBondContact O-N 2.96Å; L464-V466 VanDerWaalsContact C-N 3.33Å; L464-V466 PolarHBondContact O-N 3.36Å; V466-C468 PolarHBondContact O-N 3.48Å; V466-N469 PolarHBondContact O-N 2.87Å; V466-A470 VanDerWaalsContact O-CB 3.29Å; V466-A470 WeakPolarHBondContact O-CB 3.4Å; V466-A470 PolarHBondContact O-N 2.83Å
467L89.2Confident81.8Confident0 Ų029.6 Ų29.60%016%0.163CC..Hα-helixtrans-61.9-45.2178.4-71.3170.8000111.7L447 A450 L451 F457 V463 L464 N469 A470 Y471 L482L447-L467 HydrophobicContact CB-CD2 4.11Å; L447-L467 HydrophobicContact CD2-CD2 4.01Å; L447-L467 WeakPolarHBondContact O-CD2 3.38Å; A450-L467 HydrophobicContact CB-CD1 4.2Å; A450-L467 HydrophobicContact CB-CD2 4.38Å; L451-L467 HydrophobicContact CB-CD2 4.5Å; F457-L467 HydrophobicContact CD1-CD1 4.27Å; F457-L467 HydrophobicContact CE1-CD1 3.23Å; F457-L467 HydrophobicContact CE2-CD1 4.44Å; F457-L467 HydrophobicContact CZ-CD1 3.34Å; V463-L467 HydrophobicContact CG1-CD1 4.32Å; V463-L467 HydrophobicContact CG1-CG 4.46Å; V463-L467 WeakPolarHBondContact O-CG 3.39Å; V463-L467 PolarHBondContact O-N 2.92Å; L464-L467 PolarHBondContact O-N 2.99Å; L467-N469 VanDerWaalsContact C-N 3.29Å; L467-N469 PolarHBondContact O-N 2.89Å; L467-A470 PolarHBondContact O-N 3.31Å; L467-Y471 HydrophobicContact CD2-CD2 4.28Å; L467-Y471 HydrophobicContact CD2-CE2 3.88Å; L467-Y471 WeakPolarHBondContact O-CD2 3.28Å; L467-Y471 PolarHBondContact O-N 3.34Å; L467-L482 HydrophobicContact CB-CD1 4.15Å; L467-L482 HydrophobicContact CB-CD2 3.85Å; L467-L482 HydrophobicContact CD1-CD2 4.33Å; L467-L482 WeakPolarHBondContact O-CD1 3.4Å
468C90.4Very high82.9Confident0 Ų028.6 Ų28.60%016%0.158CC..Hα-helixtrans-58.8-43.4176.4-68.30000111.2L464 A465 V466 S472 F478 L535 V539L464-C468 WeakPolarHBondContact O-CB 3.33Å; L464-C468 PolarHBondContact O-N 3.23Å; L464-C468 PolarHBondContact O-SG 2.93Å; A465-C468 PolarHBondContact O-N 2.84Å; V466-C468 PolarHBondContact O-N 3.48Å; C468-S472 WeakPolarHBondContact O-CA 3.41Å; C468-S472 WeakPolarHBondContact O-CB 3.39Å; C468-S472 PolarHBondContact O-N 3.19Å; C468-F478 HydrophobicContact CB-CE2 4.34Å; C468-L535 HydrophobicContact CB-CD2 4.36Å; C468-V539 HydrophobicContact CB-CG1 4.03Å; C468-V539 HydrophobicContact CB-CG2 3.89Å; C468-V539 WeakPolarHBondContact O-CG2 3.08Å
469N89.6Confident83.7Confident19 Ų1930.8 Ų30.810%0.10217%0.167CC..Hα-helixtrans-66.1-47.9178-70-15.6000112.2H424 A465 V466 L467 Y471 S472 C534 S536H424-N469 PolarHBondContact NE2-O 3.37Å; A465-N469 WeakPolarHBondContact O-CB 3.35Å; A465-N469 PolarHBondContact O-N 3.26Å; A465-N469 PolarHBondContact O-ND2 3Å; V466-N469 PolarHBondContact O-N 2.87Å; L467-N469 VanDerWaalsContact C-N 3.29Å; L467-N469 PolarHBondContact O-N 2.89Å; N469-Y471 PolarHBondContact O-N 2.71Å; N469-S472 PolarHBondContact O-OG 3.12Å; N469-C534 PolarHBondContact ND2-O 2.8Å; N469-S536 WeakPolarHBondContact OD1-CB 3.23Å; N469-S536 PolarHBondContact OD1-N 3.01Å; N469-S536 PolarHBondContact OD1-OG 3.17Å
470A88.1Confident84.3Confident0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-59.9-42-178.900000112.8C420 I423 H424 L447 V466 L467C420-A470 HydrophobicContact CB-CB 4.29Å; I423-A470 HydrophobicContact CD1-CB 3.81Å; I423-A470 WeakPolarHBondContact CG2-O 3.32Å; H424-A470 PolarHBondContact NE2-O 3.2Å; L447-A470 HydrophobicContact CD1-CB 4.02Å; V466-A470 VanDerWaalsContact O-CB 3.29Å; V466-A470 WeakPolarHBondContact O-CB 3.4Å; V466-A470 PolarHBondContact O-N 2.83Å; L467-A470 PolarHBondContact O-N 3.31Å
471Y89.6Confident84.7Confident19 Ų1935.2 Ų35.28%0.07519%0.185CC..Hα-helixtrans-104.74.9-173.7-64-73.8000114.1I423 L467 N469 S473 T474 I477 F478 L482I423-Y471 HydrophobicContact CG2-CE1 4.4Å; L467-Y471 HydrophobicContact CD2-CD2 4.28Å; L467-Y471 HydrophobicContact CD2-CE2 3.88Å; L467-Y471 WeakPolarHBondContact O-CD2 3.28Å; L467-Y471 PolarHBondContact O-N 3.34Å; N469-Y471 PolarHBondContact O-N 2.71Å; Y471-S473 PolarHBondContact O-N 2.82Å; Y471-T474 WeakPolarHBondContact O-CA 3.42Å; Y471-T474 WeakPolarHBondContact O-CB 3.44Å; Y471-T474 PolarHBondContact O-N 3.29Å; Y471-T474 PolarHBondContact O-OG1 2.96Å; Y471-I477 HydrophobicContact CD1-CD1 4.15Å; Y471-I477 HydrophobicContact CE1-CD1 4.39Å; Y471-I477 HydrophobicContact CG-CG2 4.3Å; Y471-F478 WeakPolarHBondContact O-CB 3.41Å; Y471-L482 HydrophobicContact CD2-CD1 4.21Å; Y471-L482 HydrophobicContact CG-CD1 4.47Å
472S86.6Confident85.1Confident7 Ų732.8 Ų32.85%0.04917%0.172CC..THydrogen-bonded Turntrans-54.5-27.6-176.452.90000115.6H424 C468 N469 H538H424-S472 PolarHBondContact CE1-OG 3.06Å; H424-S472 PolarHBondContact NE2-OG 3.47Å; C468-S472 WeakPolarHBondContact O-CA 3.41Å; C468-S472 WeakPolarHBondContact O-CB 3.39Å; C468-S472 PolarHBondContact O-N 3.19Å; N469-S472 PolarHBondContact O-OG 3.12Å; S472-H538 PolarHBondContact O-CE1 3Å; S472-H538 PolarHBondContact O-ND1 3.11Å
473S78.5Confident85.4Confident53 Ų5332.8 Ų32.837%0.37117%0.173SC..THydrogen-bonded Turntrans-82.5-19.8174.755.50000113.5H424 Q427 Y471 S475H424-S473 VanDerWaalsContact CE1-CB 3.45Å; H424-S473 WeakPolarHBondContact CE1-CB 3.31Å; H424-S473 PolarHBondContact CE1-OG 2.82Å; H424-S473 VanDerWaalsContact ND1-CB 3.34Å; H424-S473 WeakPolarHBondContact ND1-CB 3.06Å; H424-S473 PolarHBondContact ND1-OG 2.97Å; Q427-S473 PolarHBondContact OE1-OG 3.06Å; Y471-S473 PolarHBondContact O-N 2.82Å; S473-S475 PolarHBondContact O-N 3.44Å; S473-S475 VanDerWaalsContact O-N 3.16Å
474T75.2Confident85.6Confident30 Ų3033.6 Ų33.618%0.18418%0.178CC..  trans-84.190.6-179.6-430000107.6Q427 Y471 E476 I477 F478Q427-T474 PolarHBondContact NE2-OG1 3.47Å; Y471-T474 WeakPolarHBondContact O-CA 3.42Å; Y471-T474 WeakPolarHBondContact O-CB 3.44Å; Y471-T474 PolarHBondContact O-N 3.29Å; Y471-T474 PolarHBondContact O-OG1 2.96Å; T474-E476 PolarHBondContact O-N 2.96Å; T474-E476 VanDerWaalsContact O-N 3.12Å; T474-I477 HydrophobicContact CG2-CB 4.2Å; T474-I477 HydrophobicContact CG2-CD1 4.01Å; T474-I477 HydrophobicContact CG2-CG1 4Å; T474-I477 PolarHBondContact O-N 3.38Å; T474-F478 VanDerWaalsContact O-CB 3.23Å; T474-F478 WeakPolarHBondContact O-CB 3.27Å; T474-F478 PolarHBondContact O-N 3.39Å
475S74Confident85.4Confident78 Ų7834.5 Ų34.555%0.54519%0.185SC..Hα-helixtrans-51.7-40.7-172.556.40000112.6S473 H479S473-S475 PolarHBondContact O-N 3.44Å; S473-S475 VanDerWaalsContact O-N 3.16Å; S475-H479 WeakPolarHBondContact O-CB 3.35Å; S475-H479 PolarHBondContact O-CD2 3.1Å; S475-H479 PolarHBondContact O-N 2.99Å
476E83Confident85.4Confident125 Ų12534.5 Ų34.558%0.58419%0.185SC*.Hα-helixtrans-69-60.5-177.4-165168.3-160.500113.1T474 F478 H479 Q480T474-E476 PolarHBondContact O-N 2.96Å; T474-E476 VanDerWaalsContact O-N 3.12Å; E476-F478 VanDerWaalsContact C-N 3.31Å; E476-F478 PolarHBondContact O-N 3.38Å; E476-H479 PolarHBondContact O-N 2.92Å; E476-Q480 HydrophobicContact CG-CG 4.48Å; E476-Q480 WeakPolarHBondContact O-CB 3.48Å; E476-Q480 WeakPolarHBondContact O-CG 3.23Å; E476-Q480 PolarHBondContact O-N 2.9Å
477I84.5Confident85.5Confident48 Ų4834.9 Ų34.925%0.24619%0.186CC..Hα-helixtrans-59.1-44.8-179.6-59.8177.3000110.7L451 Y471 T474 E481 L482L451-I477 HydrophobicContact CD1-CG2 3.93Å; L451-I477 HydrophobicContact CD2-CD1 4.37Å; L451-I477 HydrophobicContact CD2-CG2 3.89Å; Y471-I477 HydrophobicContact CD1-CD1 4.15Å; Y471-I477 HydrophobicContact CE1-CD1 4.39Å; Y471-I477 HydrophobicContact CG-CG2 4.3Å; T474-I477 HydrophobicContact CG2-CB 4.2Å; T474-I477 HydrophobicContact CG2-CD1 4.01Å; T474-I477 HydrophobicContact CG2-CG1 4Å; T474-I477 PolarHBondContact O-N 3.38Å; I477-E481 WeakPolarHBondContact O-CA 3.04Å; I477-E481 VanDerWaalsContact O-CB 3.3Å; I477-E481 WeakPolarHBondContact O-CB 3.43Å; I477-E481 PolarHBondContact O-N 2.9Å; I477-L482 HydrophobicContact CG2-CD1 4.27Å; I477-L482 PolarHBondContact O-N 3.01Å
478F88.8Confident85.2Confident0 Ų037.1 Ų37.10%020%0.197CC..Iπ-helixtrans-67.8-50.4-177.6177.3-109.3000112.2C468 Y471 T474 E476 L482 L483 V539C468-F478 HydrophobicContact CB-CE2 4.34Å; Y471-F478 WeakPolarHBondContact O-CB 3.41Å; T474-F478 VanDerWaalsContact O-CB 3.23Å; T474-F478 WeakPolarHBondContact O-CB 3.27Å; T474-F478 PolarHBondContact O-N 3.39Å; E476-F478 VanDerWaalsContact C-N 3.31Å; E476-F478 PolarHBondContact O-N 3.38Å; F478-L482 HydrophobicContact CD2-CB 4.17Å; F478-L482 PolarHBondContact O-N 2.93Å; F478-L483 HydrophobicContact CE1-CB 4.36Å; F478-L483 HydrophobicContact CE1-CD2 4.39Å; F478-L483 HydrophobicContact CE2-CB 4.38Å; F478-L483 HydrophobicContact CZ-CB 4.18Å; F478-L483 HydrophobicContact CZ-CD1 4.2Å; F478-L483 VanDerWaalsContact O-CB 3.26Å; F478-L483 WeakPolarHBondContact O-CB 3.48Å; F478-L483 PolarHBondContact O-N 3.09Å; F478-V539 HydrophobicContact CE2-CB 4.43Å; F478-V539 HydrophobicContact CE2-CG1 4.1Å; F478-V539 HydrophobicContact CE2-CG2 3.84Å; F478-V539 HydrophobicContact CZ-CB 4.34Å; F478-V539 HydrophobicContact CZ-CG1 4.14Å; F478-V539 HydrophobicContact CZ-CG2 4.08Å
479H87.1Confident84.9Confident92 Ų9239.1 Ų39.143%0.42621%0.208SC..Iπ-helixtrans-75.3-31.9-176.3-67.9-62000113.4S475 E476 P484S475-H479 WeakPolarHBondContact O-CB 3.35Å; S475-H479 PolarHBondContact O-CD2 3.1Å; S475-H479 PolarHBondContact O-N 2.99Å; E476-H479 PolarHBondContact O-N 2.92Å; H479-P484 WeakPolarHBondContact O-CD 3.27Å
480Q84.2Confident84.6Confident124 Ų12438.3 Ų38.358%0.57920%0.203SC*.Iπ-helixtrans-89.9-30.6-177.6-62-177.70.900113.6E476E476-Q480 HydrophobicContact CG-CG 4.48Å; E476-Q480 WeakPolarHBondContact O-CB 3.48Å; E476-Q480 WeakPolarHBondContact O-CG 3.23Å; E476-Q480 PolarHBondContact O-N 2.9Å
481E84.1Confident84.3Confident62 Ų6239 Ų3929%0.2921%0.207SC..Iπ-helixtrans-112.9-51-173.6-49.5-161159.100113.3K454 I477 C485K454-E481 WeakPolarHBondContact CE-OE1 3.44Å; K454-E481 WeakPolarHBondContact CE-OE2 3.29Å; K454-E481 VanDerWaalsContact NZ-CD 3.3Å; K454-E481 IonicContact NZ-OE1 3.93Å; K454-E481 PolarHBondContact NZ-OE1 2.79Å; K454-E481 IonicContact NZ-OE2 3.18Å; I477-E481 WeakPolarHBondContact O-CA 3.04Å; I477-E481 VanDerWaalsContact O-CB 3.3Å; I477-E481 WeakPolarHBondContact O-CB 3.43Å; I477-E481 PolarHBondContact O-N 2.9Å; E481-C485 PolarHBondContact O-SG 3.33Å
482L88.5Confident83.2Confident1 Ų138.5 Ų38.51%0.00521%0.208CC..Iπ-helixtrans-87.3-44.4-168.1-65.6171.6000113.9L451 L464 L467 Y471 I477 F478 C485 L486L451-L482 HydrophobicContact CD1-CD1 4.41Å; L451-L482 HydrophobicContact CD1-CD2 3.94Å; L451-L482 HydrophobicContact CD1-CG 4.27Å; L464-L482 HydrophobicContact CD1-CD2 4.35Å; L467-L482 HydrophobicContact CB-CD1 4.15Å; L467-L482 HydrophobicContact CB-CD2 3.85Å; L467-L482 HydrophobicContact CD1-CD2 4.33Å; L467-L482 WeakPolarHBondContact O-CD1 3.4Å; Y471-L482 HydrophobicContact CD2-CD1 4.21Å; Y471-L482 HydrophobicContact CG-CD1 4.47Å; I477-L482 HydrophobicContact CG2-CD1 4.27Å; I477-L482 PolarHBondContact O-N 3.01Å; F478-L482 HydrophobicContact CD2-CB 4.17Å; F478-L482 PolarHBondContact O-N 2.93Å; L482-C485 WeakPolarHBondContact O-CB 3.35Å; L482-C485 PolarHBondContact O-N 3.06Å; L482-L486 PolarHBondContact O-N 3.03Å
483L88.2Confident82.1Confident13 Ų1343.8 Ų43.87%0.06823%0.227CC..Hα-helixtrans-60.4-45.2179179.864.1000111.5F478 C485 L486 L487 I543F478-L483 HydrophobicContact CE1-CB 4.36Å; F478-L483 HydrophobicContact CE1-CD2 4.39Å; F478-L483 HydrophobicContact CE2-CB 4.38Å; F478-L483 HydrophobicContact CZ-CB 4.18Å; F478-L483 HydrophobicContact CZ-CD1 4.2Å; F478-L483 VanDerWaalsContact O-CB 3.26Å; F478-L483 WeakPolarHBondContact O-CB 3.48Å; F478-L483 PolarHBondContact O-N 3.09Å; L483-C485 VanDerWaalsContact C-N 3.29Å; L483-C485 PolarHBondContact O-N 3.26Å; L483-L486 WeakPolarHBondContact O-CB 3.39Å; L483-L486 PolarHBondContact O-N 3.24Å; L483-L487 HydrophobicContact CD1-CD1 4.36Å; L483-L487 HydrophobicContact CD1-CD2 4.15Å; L483-L487 HydrophobicContact CD1-CG 4.12Å; L483-L487 HydrophobicContact CG-CD1 3.99Å; L483-L487 HydrophobicContact CG-CG 4.16Å; L483-L487 WeakPolarHBondContact O-CG 3.49Å; L483-L487 PolarHBondContact O-N 3.15Å; L483-I543 HydrophobicContact CD1-CG1 4.26Å
484P86.4Confident80.9Confident31 Ų3143.6 Ų43.620%0.20122%0.222CC..Hα-helixtrans-56.5-39.5175.1-27.337.6000113.5H479 L486 L487 E488H479-P484 WeakPolarHBondContact O-CD 3.27Å; P484-L486 PolarHBondContact O-N 2.96Å; P484-L487 PolarHBondContact O-N 3.05Å; P484-E488 WeakPolarHBondContact O-CB 3.45Å; P484-E488 PolarHBondContact O-N 2.96Å
485C84.2Confident79.5Confident20 Ų2046.7 Ų46.714%0.13524%0.236CC..Hα-helixtrans-58.7-35.8175.7-62.90000112.3F457 L464 E481 L482 L483 N489F457-C485 HydrophobicContact CB-CB 4.42Å; L464-C485 HydrophobicContact CD1-CB 4.38Å; E481-C485 PolarHBondContact O-SG 3.33Å; L482-C485 WeakPolarHBondContact O-CB 3.35Å; L482-C485 PolarHBondContact O-N 3.06Å; L483-C485 VanDerWaalsContact C-N 3.29Å; L483-C485 PolarHBondContact O-N 3.26Å; C485-N489 PolarHBondContact O-ND2 3.44Å
486L87.8Confident77.7Confident0 Ų047.3 Ų47.30%024%0.24CC..Hα-helixtrans-72.6-47.2175.4-66.9173.6000111.5L464 L482 L483 P484 E488 N489 F531 V539 I543L464-L486 HydrophobicContact CD2-CD2 3.63Å; L464-L486 HydrophobicContact CD2-CG 4.45Å; L464-L486 HydrophobicContact CG-CD2 4.02Å; L482-L486 PolarHBondContact O-N 3.03Å; L483-L486 WeakPolarHBondContact O-CB 3.39Å; L483-L486 PolarHBondContact O-N 3.24Å; P484-L486 PolarHBondContact O-N 2.96Å; L486-E488 VanDerWaalsContact C-N 3.32Å; L486-E488 PolarHBondContact O-N 3.33Å; L486-N489 WeakPolarHBondContact O-CB 3.32Å; L486-N489 PolarHBondContact O-N 3.11Å; L486-N489 PolarHBondContact O-ND2 2.77Å; L486-N489 VanDerWaalsContact O-ND2 3.17Å; L486-F531 HydrophobicContact CD2-CE1 3.62Å; L486-F531 HydrophobicContact CD2-CZ 3.67Å; L486-V539 HydrophobicContact CD1-CG1 3.87Å; L486-I543 HydrophobicContact CD1-CD1 3.98Å; L486-I543 HydrophobicContact CD1-CG1 4.22Å
487L87.6Confident75.4Confident10 Ų1047 Ų475%0.05225%0.252CS..Hα-helixtrans-65.3-34.9-175.9-60-177.5000112.2L483 P484 N489 F490 D491 N494 S546L483-L487 HydrophobicContact CD1-CD1 4.36Å; L483-L487 HydrophobicContact CD1-CD2 4.15Å; L483-L487 HydrophobicContact CD1-CG 4.12Å; L483-L487 HydrophobicContact CG-CD1 3.99Å; L483-L487 HydrophobicContact CG-CG 4.16Å; L483-L487 WeakPolarHBondContact O-CG 3.49Å; L483-L487 PolarHBondContact O-N 3.15Å; P484-L487 PolarHBondContact O-N 3.05Å; L487-N489 PolarHBondContact O-N 3.19Å; L487-N489 VanDerWaalsContact O-N 3.07Å; L487-F490 HydrophobicContact CD2-CE1 4.08Å; L487-F490 HydrophobicContact CD2-CE2 4.11Å; L487-F490 HydrophobicContact CD2-CZ 3.38Å; L487-F490 PolarHBondContact O-N 2.66Å; L487-D491 PolarHBondContact O-N 2.81Å; L487-N494 HydrophobicContact CB-CB 4.47Å; L487-S546 VanDerWaalsContact CD2-CB 3.5Å
488E83.8Confident73Confident47 Ų4752.5 Ų52.522%0.2228%0.276CS..THydrogen-bonded Turntrans-58.4-23.1179.2-171178.6-179.900112.9P484 L486 F490 L495 R523P484-E488 WeakPolarHBondContact O-CB 3.45Å; P484-E488 PolarHBondContact O-N 2.96Å; L486-E488 VanDerWaalsContact C-N 3.32Å; L486-E488 PolarHBondContact O-N 3.33Å; E488-F490 VanDerWaalsContact C-N 3.29Å; E488-F490 PolarHBondContact O-N 3.29Å; E488-L495 HydrophobicContact CG-CD2 4.13Å; E488-L495 WeakPolarHBondContact OE1-CD2 3.49Å; E488-R523 WeakPolarHBondContact O-CD 3.42Å; E488-R523 PolarHBondContact O-NE 3.04Å
489N82.4Confident70.5Confident43 Ų4358.5 Ų58.523%0.2331%0.312CS..THydrogen-bonded Turntrans-70.2-24.3177.9-67.7-81.8000113.5I459 C485 L486 L487 L527I459-N489 HydrophobicContact CG2-CB 4.3Å; I459-N489 VanDerWaalsContact CG2-CG 3.5Å; I459-N489 VanDerWaalsContact CG2-ND2 3.31Å; I459-N489 WeakPolarHBondContact CG2-ND2 3.2Å; C485-N489 PolarHBondContact O-ND2 3.44Å; L486-N489 WeakPolarHBondContact O-CB 3.32Å; L486-N489 PolarHBondContact O-N 3.11Å; L486-N489 PolarHBondContact O-ND2 2.77Å; L486-N489 VanDerWaalsContact O-ND2 3.17Å; L487-N489 PolarHBondContact O-N 3.19Å; L487-N489 VanDerWaalsContact O-N 3.07Å; N489-L527 HydrophobicContact CB-CD2 4.49Å
490F83.9Confident68Low1 Ų158.5 Ų58.50%0.00432%0.321CS..THydrogen-bonded Turntrans-134-18.9-174.964.2-99.2000114.4L487 E488 R523 L527 I543 A547 S564 A566 L567L487-F490 HydrophobicContact CD2-CE1 4.08Å; L487-F490 HydrophobicContact CD2-CE2 4.11Å; L487-F490 HydrophobicContact CD2-CZ 3.38Å; L487-F490 PolarHBondContact O-N 2.66Å; E488-F490 VanDerWaalsContact C-N 3.29Å; E488-F490 PolarHBondContact O-N 3.29Å; F490-R523 VanDerWaalsContact C-CD 3.47Å; F490-L527 HydrophobicContact CD1-CD1 4.02Å; F490-L527 HydrophobicContact CD1-CD2 4.47Å; F490-L527 HydrophobicContact CD1-CG 3.99Å; F490-L527 HydrophobicContact CE1-CD1 3.71Å; F490-L527 HydrophobicContact CE1-CG 4.21Å; F490-I543 HydrophobicContact CE1-CG2 3.97Å; F490-I543 HydrophobicContact CZ-CG2 3.67Å; F490-A547 HydrophobicContact CE2-CB 4.35Å; F490-S564 PolarHBondContact O-OG 3.41Å; F490-A566 HydrophobicContact CB-CB 3.68Å; F490-L567 HydrophobicContact CD2-CB 4.02Å; F490-L567 HydrophobicContact CD2-CD1 3.49Å; F490-L567 VanDerWaalsContact CD2-CD1 3.49Å; F490-L567 HydrophobicContact CD2-CG 4.34Å; F490-L567 HydrophobicContact CE2-CD1 3.59Å; F490-L567 WeakPolarHBondContact O-CB 3.22Å
491D80.9Confident65.7Low14 Ų1455.1 Ų55.18%0.07531%0.306CS..  trans-127.6106.2176.6-176.76.7000111.5L487 R493 N494 R553L487-D491 PolarHBondContact O-N 2.81Å; D491-R493 VanDerWaalsContact C-N 3.31Å; D491-R493 PolarHBondContact O-N 2.65Å; D491-R493 PolarHBondContact OD1-N 3.48Å; D491-N494 PolarHBondContact OD2-ND2 3.01Å; D491-N494 VanDerWaalsContact OD2-ND2 3.09Å; D491-R553 IonicContact OD2-NH2 3.66Å; D491-R553 PolarHBondContact OD2-NH2 3.47Å
492G66.7Low63.1Low10 Ų1060.7 Ų60.710%0.10334%0.335CS..G310 helixtrans-72.7-13.5-176.800000116.5N494 L495 R523G492-N494 VanDerWaalsContact C-N 3.33Å; G492-L495 WeakPolarHBondContact O-CD1 3.45Å; G492-L495 WeakPolarHBondContact O-CG 3.48Å; G492-R523 VanDerWaalsContact CA-NH2 3.29Å
493R65.2Low60.7Low118 Ų11864.3 Ų64.345%0.44536%0.357SS..G310 helixtrans-85.5-4.1-177.1-68.2-174.8-174.9161.49.3113.8D491 L495 S560 L561D491-R493 VanDerWaalsContact C-N 3.31Å; D491-R493 PolarHBondContact O-N 2.65Å; D491-R493 PolarHBondContact OD1-N 3.48Å; R493-L495 VanDerWaalsContact C-N 3.35Å; R493-S560 PolarHBondContact NH1-OG 2.7Å; R493-S560 VanDerWaalsContact NH1-OG 3.13Å; R493-S560 VanDerWaalsContact NH2-CB 3.32Å; R493-S560 PolarHBondContact NH2-OG 2.9Å; R493-L561 PolarHBondContact NH2-O 2.85Å
494N51.5Low58.2Low49 Ų4969.1 Ų69.126%0.26239%0.387SS..G310 helixtrans-95.419175.7-67.6-28.9000113.4L487 D491 G492 C496 R553L487-N494 HydrophobicContact CB-CB 4.47Å; D491-N494 PolarHBondContact OD2-ND2 3.01Å; D491-N494 VanDerWaalsContact OD2-ND2 3.09Å; G492-N494 VanDerWaalsContact C-N 3.33Å; N494-C496 PolarHBondContact O-N 3.39Å; N494-R553 PolarHBondContact OD1-NH1 3.32Å; N494-R553 VanDerWaalsContact OD1-NH1 3.15Å; N494-R553 PolarHBondContact OD1-NH2 2.82Å
495L46.3Very low55.8Low94 Ų9473.3 Ų73.349%0.49241%0.414SS..  trans-58.8102.6169.5-72.3164.9000108.8E488 G492 R493 S497E488-L495 HydrophobicContact CG-CD2 4.13Å; E488-L495 WeakPolarHBondContact OE1-CD2 3.49Å; G492-L495 WeakPolarHBondContact O-CD1 3.45Å; G492-L495 WeakPolarHBondContact O-CG 3.48Å; R493-L495 VanDerWaalsContact C-N 3.35Å; L495-S497 PolarHBondContact O-N 2.66Å
496C37.4Very low53.6Low92 Ų9277.4 Ų77.462%0.62244%0.443SS*.  trans-53.7132.2154.4-152.40000105.3N494 Q498N494-C496 PolarHBondContact O-N 3.39Å; C496-Q498 PolarHBondContact O-N 2.83Å
497S34.6Very low51.6Low119 Ų11981.6 Ų81.683%0.83247%0.47SS*.SBendtrans-68.340.6-164.848.80000115.2L495L495-S497 PolarHBondContact O-N 2.66Å
498Q34.2Very low49.9Very low163 Ų16387.6 Ų87.676%0.76251%0.513SS*.SBendtrans-139.6100.9-177.7-66.1-173.21.100110.3C496C496-Q498 PolarHBondContact O-N 2.83Å
499V36Very low48.8Very low125 Ų12587.5 Ų87.576%0.75852%0.52SS*.  trans60.5113.9159.5-166.40000116.7L501V499-L501 PolarHBondContact O-N 2.88Å
500P33.1Very low48.5Very low92 Ų9289.2 Ų89.260%0.59754%0.54SS*.  trans-59.9127170.9-11.123.3000110.3M502P500-M502 VanDerWaalsContact C-N 3.33Å; P500-M502 PolarHBondContact O-N 2.89Å
501L37.2Very low48.6Very low54 Ų5491.7 Ų91.728%0.28356%0.555SS.*  trans-65.893.6168.6-98.5129.1000108.9G455 V499 T503G455-L501 VanDerWaalsContact O-CD2 3.28Å; G455-L501 WeakPolarHBondContact O-CD2 3.47Å; V499-L501 PolarHBondContact O-N 2.88Å; L501-T503 VanDerWaalsContact C-N 3.31Å; L501-T503 PolarHBondContact O-N 3.46Å
502M28.9Very low49.1Very low179 Ų17992.2 Ų92.288%0.88256%0.559SS**  trans-69.181.1175.1-68.3-171.672.100111P500P500-M502 VanDerWaalsContact C-N 3.33Å; P500-M502 PolarHBondContact O-N 2.89Å
503T37.8Very low50.3Low76 Ų7695.4 Ų95.447%0.46657%0.574SS.*  trans-143.150.9165.962.20000112.6L501L501-T503 VanDerWaalsContact C-N 3.31Å; L501-T503 PolarHBondContact O-N 3.46Å
504T36Very low51.5Low115 Ų11589.8 Ų89.871%0.70655%0.552SS**SBendtrans-165.5149.2142.240.30000107.3S506T504-S506 PolarHBondContact O-N 3.39Å
505P36.8Very low53.2Low119 Ų11988.5 Ų88.577%0.77355%0.546SS*.PPolyproline II helixtrans-63126.8-169.28-0.4000109.1P507P505-P507 WeakPolarHBondContact O-CD 3.34Å; P505-P507 VanDerWaalsContact O-N 3.09Å
506S36.8Very low54.8Low106 Ų10685.1 Ų85.174%0.74153%0.534SS*.PPolyproline II helixtrans-47.2116.1169.554.60000109.7T504 S508T504-S506 PolarHBondContact O-N 3.39Å; S506-S508 PolarHBondContact O-N 3.49Å
507P47.1Very low57.1Low88 Ų8882.3 Ų82.357%0.57152%0.521SS*.PPolyproline II helixtrans-63.7126.5146.73.314.1000104.4P505 A509P505-P507 WeakPolarHBondContact O-CD 3.34Å; P505-P507 VanDerWaalsContact O-N 3.09Å; P507-A509 PolarHBondContact O-N 3.03Å
508S51.2Low59.7Low135 Ų13576.9 Ų76.994%0.94448%0.484SS*.SBendtrans-54.2-6179.2430000114.8S506S506-S508 PolarHBondContact O-N 3.49Å
509A60.8Low62.3Low46 Ų4673.3 Ų73.338%0.3847%0.469SS..  trans-103.5124.7176.200000111.7P507 T511 N522P507-A509 PolarHBondContact O-N 3.03Å; A509-T511 WeakPolarHBondContact CB-O 3.13Å; A509-T511 PolarHBondContact O-N 3.38Å; A509-N522 PolarHBondContact O-ND2 3.12Å
510A75.7Confident64.9Low78 Ų7867.4 Ų67.465%0.64543%0.433SS*.SBendtrans-67.9-9.4171.500000113.4
511T87.2Confident67.5Low53 Ų5364.4 Ų64.433%0.32541%0.413SS..EExtended strand (participates in β ladder)trans-133.9154.1-173.160.90000110.8A509 A520 L561A509-T511 WeakPolarHBondContact CB-O 3.13Å; A509-T511 PolarHBondContact O-N 3.38Å; T511-A520 CarbonylContact C-O 3.58Å; T511-A520 WeakPolarHBondContact CA-O 3.43Å; T511-A520 WeakPolarHBondContact CB-O 3.27Å; T511-L561 HydrophobicContact CG2-CD1 3.53Å; T511-L561 HydrophobicContact CG2-CD2 3.87Å; T511-L561 HydrophobicContact CG2-CG 4.39Å
512V90.3Very high69.9Low26 Ų2664 Ų6416%0.15841%0.411CS..EExtended strand (participates in β ladder)trans-121.4152.317274.40000110.2A520 D521 V524 P565 Y923V512-A520 HydrophobicContact CG1-CB 4.13Å; V512-A520 PolarHBondContact N-O 2.68Å; V512-A520 PolarHBondContact O-N 3.42Å; V512-D521 WeakPolarHBondContact CG1-O 3.14Å; V512-V524 HydrophobicContact CG1-CG1 4.26Å; V512-V524 HydrophobicContact CG2-CG1 4.35Å; V512-P565 HydrophobicContact CG1-CG 4.46Å; V512-Y923 HydrophobicContact CG2-CE1 3.94Å; V512-Y923 HydrophobicContact CG2-CE2 4.37Å; V512-Y923 WeakPolarHBondContact CG2-OH 3.43Å
513L91.3Very high72.9Confident77 Ų7757.7 Ų57.740%0.40338%0.377SS..EExtended strand (participates in β ladder)trans-86.7124.4175.5-162.574.6000109.9G517 L519 Y923 F927L513-G517 WeakPolarHBondContact CD1-O 3.39Å; L513-L519 HydrophobicContact CD1-CD2 4.07Å; L513-Y923 PolarHBondContact O-OH 3.03Å; L513-F927 HydrophobicContact CB-CE2 4.06Å; L513-F927 HydrophobicContact CB-CZ 4.36Å; L513-F927 HydrophobicContact CD2-CE2 4.18Å; L513-F927 HydrophobicContact CD2-CZ 4.39Å; L513-F927 HydrophobicContact CG-CE2 4.39Å; L513-F927 WeakPolarHBondContact O-CD2 3.23Å; L513-F927 VanDerWaalsContact O-CE2 3.29Å; L513-F927 WeakPolarHBondContact O-CE2 3.48Å
514L92.4Very high75.4Confident0 Ų055.3 Ų55.30%036%0.362CS..  trans-73.6156169.1-63.5-178.6000110.4G516 G517 A518 A520 C562 P565 Y923 P959 Y961L514-G516 PolarHBondContact O-N 2.73Å; L514-G517 PolarHBondContact O-N 3.37Å; L514-A518 HydrophobicContact CB-CB 4.4Å; L514-A518 WeakPolarHBondContact CB-O 3.28Å; L514-A518 HydrophobicContact CD1-CB 4.21Å; L514-A518 PolarHBondContact N-O 3.16Å; L514-A520 HydrophobicContact CD1-CB 3.95Å; L514-A520 HydrophobicContact CD2-CB 3.74Å; L514-A520 HydrophobicContact CG-CB 3.7Å; L514-C562 HydrophobicContact CD1-CB 4.12Å; L514-P565 HydrophobicContact CD2-CG 3.83Å; L514-Y923 HydrophobicContact CD2-CE2 4.36Å; L514-P959 HydrophobicContact CD1-CB 3.64Å; L514-Y961 HydrophobicContact CD1-CE1 3.89Å; L514-Y961 HydrophobicContact CD1-CE2 3.87Å; L514-Y961 HydrophobicContact CD2-CD1 4.05Å; L514-Y961 HydrophobicContact CD2-CE1 3.75Å
515P86.5Confident78Confident21 Ų2157.7 Ų57.714%0.13636%0.358CS..THydrogen-bonded Turntrans-44.1-35.6175.5-31.930.3000116.2G517 H926 H930 V960P515-G517 VanDerWaalsContact C-N 3.31Å; P515-G517 PolarHBondContact O-N 3.1Å; P515-H926 HydrophobicContact CG-CB 4.32Å; P515-H930 HydrophobicContact CB-CB 3.82Å; P515-H930 VanDerWaalsContact CB-CD2 3.46Å; P515-H930 WeakPolarHBondContact CB-CD2 3.34Å; P515-V960 HydrophobicContact CB-CB 4.45Å; P515-V960 HydrophobicContact CB-CG1 4.39Å; P515-V960 VanDerWaalsContact CD-O 3.23Å; P515-V960 WeakPolarHBondContact CD-O 3.29Å
516G79.9Confident80.6Confident23 Ų2352.2 Ų52.224%0.23732%0.323CS..THydrogen-bonded Turntrans-81.11177.300000115.8L514 V957L514-G516 PolarHBondContact O-N 2.73Å; G516-V957 WeakPolarHBondContact O-CG1 3.26Å
517G84.5Confident83.3Confident34 Ų3447.2 Ų47.235%0.35129%0.288SS..SBendtrans88.9-1.6-176.800000115.2L513 L514 P515L513-G517 WeakPolarHBondContact CD1-O 3.39Å; L514-G517 PolarHBondContact O-N 3.37Å; P515-G517 VanDerWaalsContact C-N 3.31Å; P515-G517 PolarHBondContact O-N 3.1Å
518A89.3Confident85.3Confident5 Ų546.1 Ų46.14%0.04127%0.274CS..  trans-72.5143.7176.700000111.1L514 V957 P959L514-A518 HydrophobicContact CB-CB 4.4Å; L514-A518 WeakPolarHBondContact CB-O 3.28Å; L514-A518 HydrophobicContact CD1-CB 4.21Å; L514-A518 PolarHBondContact N-O 3.16Å; A518-V957 HydrophobicContact CB-CB 4.35Å; A518-V957 HydrophobicContact CB-CG1 3.96Å; A518-P959 HydrophobicContact CB-CB 4.1Å
519L90.2Very high87Confident88 Ų8840 Ų4046%0.46123%0.231SC..EExtended strand (participates in β ladder)trans-85.8127175.9-69.1169.8000110.7L513 L561 C562L513-L519 HydrophobicContact CD1-CD2 4.07Å; L519-L561 VanDerWaalsContact C-CD1 3.5Å; L519-L561 HydrophobicContact CB-CD1 3.71Å; L519-L561 VanDerWaalsContact O-CD1 3.31Å; L519-L561 WeakPolarHBondContact O-CD1 3.38Å; L519-C562 WeakPolarHBondContact O-CB 3.5Å; L519-C562 PolarHBondContact O-N 3.45Å
520A90.4Very high88.2Confident0 Ų042.5 Ų42.50%023%0.234CC..EExtended strand (participates in β ladder)trans-121.2165.5176.400000111.4T511 V512 L514 L561 C562T511-A520 CarbonylContact C-O 3.58Å; T511-A520 WeakPolarHBondContact CA-O 3.43Å; T511-A520 WeakPolarHBondContact CB-O 3.27Å; V512-A520 HydrophobicContact CG1-CB 4.13Å; V512-A520 PolarHBondContact N-O 2.68Å; V512-A520 PolarHBondContact O-N 3.42Å; L514-A520 HydrophobicContact CD1-CB 3.95Å; L514-A520 HydrophobicContact CD2-CB 3.74Å; L514-A520 HydrophobicContact CG-CB 3.7Å; A520-L561 VanDerWaalsContact C-CG 3.46Å; A520-C562 WeakPolarHBondContact CA-O 3.37Å; A520-C562 HydrophobicContact CB-CB 4.01Å
521D87.8Confident88.8Confident30 Ų3038.8 Ų38.816%0.1620%0.204CC..EExtended strand (participates in β ladder)trans-61.4141.2169.8179.1-89.3000110.6V512 R523 L561 C562V512-D521 WeakPolarHBondContact CG1-O 3.14Å; D521-R523 PolarHBondContact O-N 3.19Å; D521-R523 WeakPolarHBondContact OD1-CB 3.25Å; D521-R523 VanDerWaalsContact OD1-CD 3.25Å; D521-R523 WeakPolarHBondContact OD1-CD 3.37Å; D521-R523 WeakPolarHBondContact OD1-CG 3.29Å; D521-R523 IonicContact OD1-CZ 3.22Å; D521-R523 PolarHBondContact OD1-N 3.03Å; D521-R523 IonicContact OD1-NE 3.1Å; D521-R523 IonicContact OD1-NH1 2.79Å; D521-R523 PolarHBondContact OD1-NH1 2.87Å; D521-R523 IonicContact OD2-NH1 3.48Å; D521-R523 PolarHBondContact OD2-NH1 3.24Å; D521-L561 VanDerWaalsContact CA-CD2 3.43Å; D521-L561 HydrophobicContact CB-CD2 3.82Å; D521-C562 PolarHBondContact N-O 3.33Å
522N88.2Confident88.9Confident46 Ų4636.3 Ų36.325%0.24619%0.188CC..SBendtrans-72.32.2-168.572.5-4.2000115.3A509 V524A509-N522 PolarHBondContact O-ND2 3.12Å; N522-V524 PolarHBondContact O-N 3.13Å; N522-V524 VanDerWaalsContact O-N 3.17Å
523R90.8Very high88.6Confident46 Ų4637.8 Ų37.817%0.17420%0.195CC..  trans-75.6102.8176.4-67.7167.2-179.1752.1110.8E488 F490 G492 D521 S564 P565 A566E488-R523 WeakPolarHBondContact O-CD 3.42Å; E488-R523 PolarHBondContact O-NE 3.04Å; F490-R523 VanDerWaalsContact C-CD 3.47Å; G492-R523 VanDerWaalsContact CA-NH2 3.29Å; D521-R523 PolarHBondContact O-N 3.19Å; D521-R523 WeakPolarHBondContact OD1-CB 3.25Å; D521-R523 VanDerWaalsContact OD1-CD 3.25Å; D521-R523 WeakPolarHBondContact OD1-CD 3.37Å; D521-R523 WeakPolarHBondContact OD1-CG 3.29Å; D521-R523 IonicContact OD1-CZ 3.22Å; D521-R523 PolarHBondContact OD1-N 3.03Å; D521-R523 IonicContact OD1-NE 3.1Å; D521-R523 IonicContact OD1-NH1 2.79Å; D521-R523 PolarHBondContact OD1-NH1 2.87Å; D521-R523 IonicContact OD2-NH1 3.48Å; D521-R523 PolarHBondContact OD2-NH1 3.24Å; R523-S564 WeakPolarHBondContact O-CB 3.42Å; R523-S564 PolarHBondContact O-OG 2.76Å; R523-P565 WeakPolarHBondContact O-CD 3.11Å; R523-A566 HydrophobicContact CB-CB 3.99Å; R523-A566 WeakPolarHBondContact O-CB 3.39Å; R523-A566 PolarHBondContact O-N 2.91Å
524V90.2Very high88.3Confident26 Ų2635 Ų3516%0.15818%0.182CC..  trans-99.9-20.3-177.2-62.10000113.8V512 N522 P526 P565 Y923 E924V512-V524 HydrophobicContact CG1-CG1 4.26Å; V512-V524 HydrophobicContact CG2-CG1 4.35Å; N522-V524 PolarHBondContact O-N 3.13Å; N522-V524 VanDerWaalsContact O-N 3.17Å; V524-P526 VanDerWaalsContact O-CD 3.23Å; V524-P526 WeakPolarHBondContact O-CD 3.44Å; V524-P565 HydrophobicContact CG1-CG 4.32Å; V524-Y923 HydrophobicContact CB-CD1 3.69Å; V524-Y923 HydrophobicContact CB-CE1 4.39Å; V524-Y923 HydrophobicContact CB-CG 4.16Å; V524-Y923 HydrophobicContact CG1-CD1 3.4Å; V524-Y923 HydrophobicContact CG1-CE1 3.64Å; V524-Y923 HydrophobicContact CG1-CG 3.96Å; V524-E924 WeakPolarHBondContact CG2-OE1 3.4Å
525R90.5Very high88.1Confident164 Ų16435.2 Ų35.262%0.61918%0.183SC*.  trans-93.1109.6-175.3-66.7-175.4-178.9177.80.3112.3A566R525-A566 VanDerWaalsContact O-CB 3.27Å; R525-A566 WeakPolarHBondContact O-CB 3.38Å
526P92.7Very high88.1Confident5 Ų536 Ų363%0.03219%0.189CC..PPolyproline II helixtrans-73.9165.3177.329.8-37000113.9V524 K528 E569 S570 R573 Q920V524-P526 VanDerWaalsContact O-CD 3.23Å; V524-P526 WeakPolarHBondContact O-CD 3.44Å; P526-K528 PolarHBondContact O-N 3.29Å; P526-E569 HydrophobicContact CB-CB 3.83Å; P526-E569 HydrophobicContact CB-CG 3.81Å; P526-E569 HydrophobicContact CG-CB 4.09Å; P526-E569 HydrophobicContact CG-CG 3.69Å; P526-S570 WeakPolarHBondContact CA-OG 3.09Å; P526-S570 WeakPolarHBondContact CB-OG 3.23Å; P526-R573 VanDerWaalsContact CG-CZ 3.48Å; P526-R573 VanDerWaalsContact CG-NH1 3.31Å; P526-Q920 PolarHBondContact O-OE1 3.33Å; P526-Q920 VanDerWaalsContact O-OE1 3.06Å
527L92Very high88.2Confident1 Ų136.6 Ų36.61%0.00519%0.188CC..PPolyproline II helixtrans-63.2122.3169.8-65.3-179.6000110.5I459 N489 F490 F531 L532 I543 S570 R573I459-L527 HydrophobicContact CB-CD2 4.37Å; I459-L527 HydrophobicContact CD1-CD2 4.21Å; I459-L527 HydrophobicContact CG2-CD2 3.62Å; N489-L527 HydrophobicContact CB-CD2 4.49Å; F490-L527 HydrophobicContact CD1-CD1 4.02Å; F490-L527 HydrophobicContact CD1-CD2 4.47Å; F490-L527 HydrophobicContact CD1-CG 3.99Å; F490-L527 HydrophobicContact CE1-CD1 3.71Å; F490-L527 HydrophobicContact CE1-CG 4.21Å; L527-F531 HydrophobicContact CD2-CD1 4.37Å; L527-F531 HydrophobicContact CD2-CE1 4.48Å; L527-L532 HydrophobicContact CB-CD1 4.25Å; L527-L532 HydrophobicContact CB-CD2 3.92Å; L527-L532 HydrophobicContact CB-CG 4Å; L527-L532 HydrophobicContact CD1-CD2 3.74Å; L527-L532 HydrophobicContact CG-CD2 4.5Å; L527-I543 HydrophobicContact CD1-CD1 4.26Å; L527-I543 HydrophobicContact CD1-CG2 4.2Å; L527-S570 PolarHBondContact N-OG 3.49Å; L527-R573 VanDerWaalsContact C-NH1 3.32Å; L527-R573 VanDerWaalsContact O-CD 3.24Å; L527-R573 WeakPolarHBondContact O-CD 3.4Å; L527-R573 PolarHBondContact O-NH1 3.4Å
528K89.7Confident88.3Confident64 Ų6439 Ų3928%0.27819%0.19SC..PPolyproline II helixtrans-60.5144178.8-68.4167.4-179.4170.70111.2D460 P526 E530 F531 L532 Q920D460-K528 IonicContact OD1-NZ 2.72Å; D460-K528 PolarHBondContact OD1-NZ 3.12Å; P526-K528 PolarHBondContact O-N 3.29Å; K528-E530 VanDerWaalsContact C-N 3.29Å; K528-E530 PolarHBondContact O-N 3.12Å; K528-F531 HydrophobicContact CB-CB 4.23Å; K528-F531 PolarHBondContact O-N 3.39Å; K528-F531 VanDerWaalsContact O-N 3.15Å; K528-L532 WeakPolarHBondContact O-CG 3.22Å; K528-L532 PolarHBondContact O-N 3.3Å; K528-Q920 VanDerWaalsContact CG-CD 3.41Å; K528-Q920 HydrophobicContact CG-CG 4.04Å
529F87.8Confident88.4Confident8 Ų838.8 Ų38.84%0.03519%0.188CC..Hα-helixtrans-56.9-43.1172.6-87.2-56.6000112.2F531 L532 D533 R573 S576 Y577 L918 F1110F529-F531 VanDerWaalsContact C-N 3.28Å; F529-F531 PolarHBondContact O-N 2.89Å; F529-L532 CarbonylContact O-C 3.53Å; F529-L532 PolarHBondContact O-N 2.82Å; F529-L532 VanDerWaalsContact O-N 3.12Å; F529-D533 VanDerWaalsContact O-CB 3.3Å; F529-D533 WeakPolarHBondContact O-CB 3.39Å; F529-D533 PolarHBondContact O-N 3.24Å; F529-R573 HydrophobicContact CD1-CB 4.19Å; F529-R573 HydrophobicContact CD1-CG 4.45Å; F529-R573 HydrophobicContact CD2-CG 4.37Å; F529-R573 HydrophobicContact CE1-CB 3.52Å; F529-R573 HydrophobicContact CE1-CG 3.85Å; F529-R573 WeakPolarHBondContact CE1-O 3.17Å; F529-R573 HydrophobicContact CE2-CB 4.33Å; F529-R573 HydrophobicContact CE2-CG 3.7Å; F529-R573 HydrophobicContact CZ-CB 3.59Å; F529-R573 HydrophobicContact CZ-CG 3.42Å; F529-R573 VanDerWaalsContact CZ-CG 3.42Å; F529-S576 WeakPolarHBondContact CZ-OG 3.29Å; F529-Y577 HydrophobicContact CD1-CE2 4.48Å; F529-Y577 HydrophobicContact CE1-CE2 4.4Å; F529-L918 HydrophobicContact CD2-CD2 3.68Å; F529-L918 HydrophobicContact CE2-CD2 3.9Å; F529-F1110 HydrophobicContact CD2-CE2 4.44Å; F529-F1110 AromaticContact CE2-CE2 3.51Å; F529-F1110 HydrophobicContact CE2-CE2 3.51Å; F529-F1110 AromaticContact CE2-CZ 3.63Å; F529-F1110 HydrophobicContact CE2-CZ 3.63Å; F529-F1110 AromaticContact CZ-CE2 3.79Å; F529-F1110 HydrophobicContact CZ-CE2 3.79Å; F529-F1110 AromaticContact CZ-CZ 3.52Å; F529-F1110 HydrophobicContact CZ-CZ 3.52Å
530E84.1Confident88.4Confident97 Ų9736 Ų3645%0.45317%0.171SC..Hα-helixtrans-54.9-42.4175.6-167.2-169.1153.800112.6Y462 K528 C534Y462-E530 VanDerWaalsContact OH-CG 3.28Å; Y462-E530 WeakPolarHBondContact OH-CG 3.45Å; Y462-E530 PolarHBondContact OH-OE1 2.61Å; Y462-E530 PolarHBondContact OH-OE2 3.44Å; K528-E530 VanDerWaalsContact C-N 3.29Å; K528-E530 PolarHBondContact O-N 3.12Å; E530-C534 PolarHBondContact O-N 3.3Å; E530-C534 PolarHBondContact O-SG 3.18Å
531F88.3Confident88.3Confident1 Ų137.1 Ų37.10%0.00418%0.177CC..Hα-helixtrans-69.6-45175.4-176.4-93000112I459 Y462 L464 A465 L486 L527 K528 F529 D533 C534 L535I459-F531 HydrophobicContact CG2-CE1 4.39Å; I459-F531 HydrophobicContact CG2-CZ 4.37Å; I459-F531 WeakPolarHBondContact O-CD2 3.5Å; I459-F531 WeakPolarHBondContact O-CE2 3.38Å; Y462-F531 HydrophobicContact CD1-CD2 4.11Å; Y462-F531 HydrophobicContact CE1-CB 4.32Å; Y462-F531 HydrophobicContact CE1-CD2 4.06Å; L464-F531 HydrophobicContact CD2-CZ 4.23Å; L464-F531 HydrophobicContact CG-CZ 4.36Å; A465-F531 HydrophobicContact CB-CE2 3.99Å; A465-F531 HydrophobicContact CB-CZ 4.26Å; L486-F531 HydrophobicContact CD2-CE1 3.62Å; L486-F531 HydrophobicContact CD2-CZ 3.67Å; L527-F531 HydrophobicContact CD2-CD1 4.37Å; L527-F531 HydrophobicContact CD2-CE1 4.48Å; K528-F531 HydrophobicContact CB-CB 4.23Å; K528-F531 PolarHBondContact O-N 3.39Å; K528-F531 VanDerWaalsContact O-N 3.15Å; F529-F531 VanDerWaalsContact C-N 3.28Å; F529-F531 PolarHBondContact O-N 2.89Å; F531-D533 VanDerWaalsContact C-N 3.27Å; F531-D533 PolarHBondContact O-N 2.89Å; F531-C534 VanDerWaalsContact O-CB 3.31Å; F531-C534 WeakPolarHBondContact O-CB 3.43Å; F531-C534 PolarHBondContact O-N 2.89Å; F531-C534 VanDerWaalsContact O-N 3.14Å; F531-L535 HydrophobicContact CD1-CD1 4.23Å; F531-L535 HydrophobicContact CE1-CD1 3.93Å; F531-L535 HydrophobicContact CE1-CD2 4.18Å; F531-L535 HydrophobicContact CE1-CG 4.28Å; F531-L535 HydrophobicContact CZ-CD2 4.36Å; F531-L535 WeakPolarHBondContact O-CG 3.43Å
532L89.8Confident88.5Confident0 Ų036.1 Ų36.10%017%0.173CC..Hα-helixtrans-62.8-34.3176.8-68176.4000112.2L527 K528 F529 C534 L535 R540 I543 R573 L574 Y577L527-L532 HydrophobicContact CB-CD1 4.25Å; L527-L532 HydrophobicContact CB-CD2 3.92Å; L527-L532 HydrophobicContact CB-CG 4Å; L527-L532 HydrophobicContact CD1-CD2 3.74Å; L527-L532 HydrophobicContact CG-CD2 4.5Å; K528-L532 WeakPolarHBondContact O-CG 3.22Å; K528-L532 PolarHBondContact O-N 3.3Å; F529-L532 CarbonylContact O-C 3.53Å; F529-L532 PolarHBondContact O-N 2.82Å; F529-L532 VanDerWaalsContact O-N 3.12Å; L532-C534 PolarHBondContact O-N 2.89Å; L532-L535 HydrophobicContact CD2-CD1 4.04Å; L532-L535 WeakPolarHBondContact O-CB 3.35Å; L532-L535 PolarHBondContact O-N 3.28Å; L532-L535 VanDerWaalsContact O-N 3.09Å; L532-R540 WeakPolarHBondContact O-CD 3.31Å; L532-I543 HydrophobicContact CD2-CD1 4.45Å; L532-R573 HydrophobicContact CD1-CB 3.86Å; L532-L574 HydrophobicContact CD1-CD2 4.38Å; L532-L574 HydrophobicContact CD1-CG 4.34Å; L532-L574 HydrophobicContact CD2-CD2 4.02Å; L532-L574 HydrophobicContact CD2-CG 4.48Å; L532-Y577 HydrophobicContact CB-CE2 4.39Å; L532-Y577 VanDerWaalsContact CB-OH 3.22Å; L532-Y577 WeakPolarHBondContact CB-OH 3.34Å
533D84.4Confident88.7Confident57 Ų5734 Ų3431%0.30516%0.161SC..Hα-helixtrans-67.5-26.3177-71.2-27.5000111.6F529 F531 L535 Y577 R1109F529-D533 VanDerWaalsContact O-CB 3.3Å; F529-D533 WeakPolarHBondContact O-CB 3.39Å; F529-D533 PolarHBondContact O-N 3.24Å; F531-D533 VanDerWaalsContact C-N 3.27Å; F531-D533 PolarHBondContact O-N 2.89Å; D533-L535 VanDerWaalsContact C-N 3.29Å; D533-L535 PolarHBondContact O-N 3.43Å; D533-Y577 PolarHBondContact N-OH 3Å; D533-Y577 WeakPolarHBondContact OD1-CE1 3.48Å; D533-Y577 PolarHBondContact OD1-OH 3.42Å; D533-R1109 IonicContact OD1-CZ 2.95Å; D533-R1109 IonicContact OD1-NH1 2.79Å; D533-R1109 PolarHBondContact OD1-NH1 2.71Å; D533-R1109 IonicContact OD1-NH2 3.29Å; D533-R1109 IonicContact OD2-CZ 3.06Å; D533-R1109 IonicContact OD2-NH1 3.7Å; D533-R1109 PolarHBondContact OD2-NH1 2.96Å; D533-R1109 IonicContact OD2-NH2 2.77Å; D533-R1109 PolarHBondContact OD2-NH2 3.18Å
534C84.7Confident88.7Confident19 Ų1931.8 Ų31.813%0.12815%0.153CC..THydrogen-bonded Turntrans-76.1-12.5172.2-68.10000113.9V413 Y462 A465 N469 E530 F531 L532V413-C534 HydrophobicContact CB-CB 4.37Å; V413-C534 HydrophobicContact CG1-CB 4.15Å; V413-C534 WeakPolarHBondContact CG1-O 3.17Å; V413-C534 HydrophobicContact CG2-CB 3.93Å; Y462-C534 HydrophobicContact CD1-CB 4.31Å; A465-C534 HydrophobicContact CB-CB 4.02Å; N469-C534 PolarHBondContact ND2-O 2.8Å; E530-C534 PolarHBondContact O-N 3.3Å; E530-C534 PolarHBondContact O-SG 3.18Å; F531-C534 VanDerWaalsContact O-CB 3.31Å; F531-C534 WeakPolarHBondContact O-CB 3.43Å; F531-C534 PolarHBondContact O-N 2.89Å; F531-C534 VanDerWaalsContact O-N 3.14Å; L532-C534 PolarHBondContact O-N 2.89Å
535L88.7Confident88.7Confident5 Ų537.7 Ų37.73%0.02617%0.173CC..SBendtrans-90.6137.4-176.1-61177.8000111.7A465 C468 F531 L532 D533 V539 R540 I543A465-L535 HydrophobicContact CB-CD2 3.75Å; C468-L535 HydrophobicContact CB-CD2 4.36Å; F531-L535 HydrophobicContact CD1-CD1 4.23Å; F531-L535 HydrophobicContact CE1-CD1 3.93Å; F531-L535 HydrophobicContact CE1-CD2 4.18Å; F531-L535 HydrophobicContact CE1-CG 4.28Å; F531-L535 HydrophobicContact CZ-CD2 4.36Å; F531-L535 WeakPolarHBondContact O-CG 3.43Å; L532-L535 HydrophobicContact CD2-CD1 4.04Å; L532-L535 WeakPolarHBondContact O-CB 3.35Å; L532-L535 PolarHBondContact O-N 3.28Å; L532-L535 VanDerWaalsContact O-N 3.09Å; D533-L535 VanDerWaalsContact C-N 3.29Å; D533-L535 PolarHBondContact O-N 3.43Å; L535-V539 HydrophobicContact CB-CB 4.29Å; L535-V539 HydrophobicContact CB-CG1 4.33Å; L535-V539 HydrophobicContact CD1-CG1 4Å; L535-V539 HydrophobicContact CD2-CG1 4.06Å; L535-V539 HydrophobicContact CG-CG1 4.36Å; L535-R540 HydrophobicContact CB-CG 3.83Å; L535-R540 PolarHBondContact O-NE 3.38Å; L535-I543 HydrophobicContact CD1-CD1 3.51Å
536S85.7Confident88.8Confident37 Ų3731.2 Ų31.226%0.25915%0.152SC..  trans-58.3153.8170.2650000110.9N469 H538 V539 R540N469-S536 WeakPolarHBondContact OD1-CB 3.23Å; N469-S536 PolarHBondContact OD1-N 3.01Å; N469-S536 PolarHBondContact OD1-OG 3.17Å; S536-H538 PolarHBondContact O-N 3.02Å; S536-V539 PolarHBondContact O-N 3.08Å; S536-V539 VanDerWaalsContact O-N 3.12Å; S536-V539 VanDerWaalsContact OG-CG2 3.25Å; S536-V539 WeakPolarHBondContact OG-CG2 3.2Å; S536-R540 PolarHBondContact O-N 2.95Å
537V83.6Confident88.8Confident35 Ų3531 Ų3121%0.21215%0.151CC..Hα-helixtrans-53.6-39.5177.8176.90000111.3V539 R540 I541V537-V539 PolarHBondContact O-N 3.05Å; V537-R540 PolarHBondContact O-N 3.39Å; V537-I541 HydrophobicContact CG1-CD1 3.76Å; V537-I541 HydrophobicContact CG1-CG1 4.27Å; V537-I541 VanDerWaalsContact O-CG1 3.27Å; V537-I541 WeakPolarHBondContact O-CG1 3.42Å; V537-I541 PolarHBondContact O-N 3.3Å
538H85.8Confident88.8Confident86 Ų8632.2 Ų32.240%0.39816%0.157SC..Hα-helixtrans-63-42.5179.7-171.2-94.1000113S472 S536 S542S472-H538 PolarHBondContact O-CE1 3Å; S472-H538 PolarHBondContact O-ND1 3.11Å; S536-H538 PolarHBondContact O-N 3.02Å; H538-S542 PolarHBondContact O-N 3.22Å; H538-S542 VanDerWaalsContact O-N 3.08Å; H538-S542 PolarHBondContact O-OG 3.3Å
539V90.5Very high88.8Confident0 Ų030.4 Ų30.40%016%0.156CC..Hα-helixtrans-66.3-46.7177.4179.90000109.7C468 F478 L486 L535 S536 V537 I541 S542 I543C468-V539 HydrophobicContact CB-CG1 4.03Å; C468-V539 HydrophobicContact CB-CG2 3.89Å; C468-V539 WeakPolarHBondContact O-CG2 3.08Å; F478-V539 HydrophobicContact CE2-CB 4.43Å; F478-V539 HydrophobicContact CE2-CG1 4.1Å; F478-V539 HydrophobicContact CE2-CG2 3.84Å; F478-V539 HydrophobicContact CZ-CB 4.34Å; F478-V539 HydrophobicContact CZ-CG1 4.14Å; F478-V539 HydrophobicContact CZ-CG2 4.08Å; L486-V539 HydrophobicContact CD1-CG1 3.87Å; L535-V539 HydrophobicContact CB-CB 4.29Å; L535-V539 HydrophobicContact CB-CG1 4.33Å; L535-V539 HydrophobicContact CD1-CG1 4Å; L535-V539 HydrophobicContact CD2-CG1 4.06Å; L535-V539 HydrophobicContact CG-CG1 4.36Å; S536-V539 PolarHBondContact O-N 3.08Å; S536-V539 VanDerWaalsContact O-N 3.12Å; S536-V539 VanDerWaalsContact OG-CG2 3.25Å; S536-V539 WeakPolarHBondContact OG-CG2 3.2Å; V537-V539 PolarHBondContact O-N 3.05Å; V539-I541 PolarHBondContact O-N 3.31Å; V539-S542 WeakPolarHBondContact O-CB 3.49Å; V539-S542 PolarHBondContact O-N 2.91Å; V539-I543 HydrophobicContact CG1-CD1 4.06Å; V539-I543 HydrophobicContact CG1-CG1 4.38Å; V539-I543 WeakPolarHBondContact O-CG1 3.4Å; V539-I543 PolarHBondContact O-N 3.48Å
540R91.2Very high88.8Confident28 Ų2830.4 Ų30.411%0.10616%0.158CC..Hα-helixtrans-57.2-46.6176.7-69-175.1-71.7-165.93.2112.2L532 L535 S536 V537 S542 I543 T544 L574 L583L532-R540 WeakPolarHBondContact O-CD 3.31Å; L535-R540 HydrophobicContact CB-CG 3.83Å; L535-R540 PolarHBondContact O-NE 3.38Å; S536-R540 PolarHBondContact O-N 2.95Å; V537-R540 PolarHBondContact O-N 3.39Å; R540-S542 VanDerWaalsContact C-N 3.27Å; R540-S542 PolarHBondContact O-N 3.06Å; R540-I543 PolarHBondContact O-N 2.9Å; R540-T544 PolarHBondContact O-N 3.1Å; R540-T544 PolarHBondContact O-OG1 3.44Å; R540-L574 HydrophobicContact CB-CD2 3.96Å; R540-L574 HydrophobicContact CG-CD2 4.12Å; R540-L583 HydrophobicContact CB-CD2 3.61Å
541I88.8Confident89.2Confident24 Ų2425.8 Ų25.812%0.12314%0.137CC..Hα-helixtrans-55.9-42.6174.6-70.9170.5000111.2V537 V539 T544 R545 L583V537-I541 HydrophobicContact CG1-CD1 3.76Å; V537-I541 HydrophobicContact CG1-CG1 4.27Å; V537-I541 VanDerWaalsContact O-CG1 3.27Å; V537-I541 WeakPolarHBondContact O-CG1 3.42Å; V537-I541 PolarHBondContact O-N 3.3Å; V539-I541 PolarHBondContact O-N 3.31Å; I541-T544 PolarHBondContact O-N 2.89Å; I541-R545 HydrophobicContact CG2-CG 4.44Å; I541-R545 WeakPolarHBondContact O-CB 3.48Å; I541-R545 VanDerWaalsContact O-CG 3.31Å; I541-R545 WeakPolarHBondContact O-CG 3.41Å; I541-R545 PolarHBondContact O-N 2.94Å; I541-L583 HydrophobicContact CG1-CD2 3.94Å
542S90.4Very high89.3Confident10 Ų1027.7 Ų27.77%0.0715%0.146CC..Hα-helixtrans-67.5-39.5-179.3-58.90000112.4H538 V539 R540 S546H538-S542 PolarHBondContact O-N 3.22Å; H538-S542 VanDerWaalsContact O-N 3.08Å; H538-S542 PolarHBondContact O-OG 3.3Å; V539-S542 WeakPolarHBondContact O-CB 3.49Å; V539-S542 PolarHBondContact O-N 2.91Å; R540-S542 VanDerWaalsContact C-N 3.27Å; R540-S542 PolarHBondContact O-N 3.06Å; S542-S546 WeakPolarHBondContact O-CB 3.28Å; S542-S546 PolarHBondContact O-N 2.79Å; S542-S546 VanDerWaalsContact O-N 3.12Å; S542-S546 PolarHBondContact O-OG 3.03Å
543I92.6Very high89.2Confident0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-63.7-48.7172.8-60.2169.1000109.8L483 L486 F490 L527 L532 L535 V539 R540 R545 S546 A547 L574L483-I543 HydrophobicContact CD1-CG1 4.26Å; L486-I543 HydrophobicContact CD1-CD1 3.98Å; L486-I543 HydrophobicContact CD1-CG1 4.22Å; F490-I543 HydrophobicContact CE1-CG2 3.97Å; F490-I543 HydrophobicContact CZ-CG2 3.67Å; L527-I543 HydrophobicContact CD1-CD1 4.26Å; L527-I543 HydrophobicContact CD1-CG2 4.2Å; L532-I543 HydrophobicContact CD2-CD1 4.45Å; L535-I543 HydrophobicContact CD1-CD1 3.51Å; V539-I543 HydrophobicContact CG1-CD1 4.06Å; V539-I543 HydrophobicContact CG1-CG1 4.38Å; V539-I543 WeakPolarHBondContact O-CG1 3.4Å; V539-I543 PolarHBondContact O-N 3.48Å; R540-I543 PolarHBondContact O-N 2.9Å; I543-R545 VanDerWaalsContact C-N 3.34Å; I543-R545 PolarHBondContact O-N 2.94Å; I543-S546 WeakPolarHBondContact O-CB 3.38Å; I543-S546 PolarHBondContact O-N 2.73Å; I543-S546 VanDerWaalsContact O-N 3.12Å; I543-A547 PolarHBondContact O-N 2.9Å; I543-L574 HydrophobicContact CB-CD1 4.05Å; I543-L574 HydrophobicContact CG2-CD1 3.52Å
544T92.2Very high89.4Confident1 Ų129.5 Ų29.51%0.00615%0.149CC..Hα-helixtrans-62.1-40.8-177.9-460000112.2R540 I541 S546 A547 F548 Y571 L574 L575 L583R540-T544 PolarHBondContact O-N 3.1Å; R540-T544 PolarHBondContact O-OG1 3.44Å; I541-T544 PolarHBondContact O-N 2.89Å; T544-S546 VanDerWaalsContact C-N 3.34Å; T544-S546 PolarHBondContact O-N 2.78Å; T544-A547 PolarHBondContact O-N 3.44Å; T544-F548 WeakPolarHBondContact O-CB 3.37Å; T544-F548 PolarHBondContact O-N 3.06Å; T544-Y571 HydrophobicContact CG2-CD2 3.88Å; T544-Y571 HydrophobicContact CG2-CE2 3.46Å; T544-Y571 VanDerWaalsContact CG2-CE2 3.46Å; T544-L574 HydrophobicContact CG2-CB 4.34Å; T544-L575 HydrophobicContact CG2-CD2 4.4Å; T544-L583 WeakPolarHBondContact CB-O 3.39Å; T544-L583 WeakPolarHBondContact CG2-O 3.12Å; T544-L583 PolarHBondContact OG1-O 3.49Å
545R90.4Very high89.6Confident149 Ų14929.2 Ų29.256%0.56215%0.146SC*.Hα-helixtrans-62.8-40174.7-75.9176.8-179.8176.42112.3I541 I543 F548 G549I541-R545 HydrophobicContact CG2-CG 4.44Å; I541-R545 WeakPolarHBondContact O-CB 3.48Å; I541-R545 VanDerWaalsContact O-CG 3.31Å; I541-R545 WeakPolarHBondContact O-CG 3.41Å; I541-R545 PolarHBondContact O-N 2.94Å; I543-R545 VanDerWaalsContact C-N 3.34Å; I543-R545 PolarHBondContact O-N 2.94Å; R545-F548 PolarHBondContact O-N 3.21Å; R545-G549 PolarHBondContact O-N 3.31Å
546S91.1Very high89.4Confident28 Ų2834.8 Ų34.820%0.19617%0.172CC..Hα-helixtrans-67.7-43.7178.2-56.60000111.4L487 S542 I543 T544 G549 G550L487-S546 VanDerWaalsContact CD2-CB 3.5Å; S542-S546 WeakPolarHBondContact O-CB 3.28Å; S542-S546 PolarHBondContact O-N 2.79Å; S542-S546 VanDerWaalsContact O-N 3.12Å; S542-S546 PolarHBondContact O-OG 3.03Å; I543-S546 WeakPolarHBondContact O-CB 3.38Å; I543-S546 PolarHBondContact O-N 2.73Å; I543-S546 VanDerWaalsContact O-N 3.12Å; T544-S546 VanDerWaalsContact C-N 3.34Å; T544-S546 PolarHBondContact O-N 2.78Å; S546-G549 WeakPolarHBondContact O-CA 3.44Å; S546-G549 PolarHBondContact O-N 2.96Å; S546-G549 VanDerWaalsContact O-N 3.15Å; S546-G550 PolarHBondContact O-N 3.36Å
547A92.2Very high89Confident1 Ų137.1 Ų37.11%0.00818%0.181CC..Hα-helixtrans-61-44.8174.600000111.9F490 I543 T544 G549 G550 F551 L567 Y571F490-A547 HydrophobicContact CE2-CB 4.35Å; I543-A547 PolarHBondContact O-N 2.9Å; T544-A547 PolarHBondContact O-N 3.44Å; A547-G549 VanDerWaalsContact C-N 3.31Å; A547-G549 PolarHBondContact O-N 3.45Å; A547-G550 WeakPolarHBondContact O-CA 3.26Å; A547-G550 PolarHBondContact O-N 3.18Å; A547-F551 VanDerWaalsContact O-CD2 3.28Å; A547-F551 WeakPolarHBondContact O-CD2 3.22Å; A547-F551 PolarHBondContact O-N 3.22Å; A547-F551 VanDerWaalsContact O-N 3.14Å; A547-L567 HydrophobicContact CB-CD1 3.72Å; A547-Y571 HydrophobicContact CB-CD2 3.56Å; A547-Y571 HydrophobicContact CB-CE2 4.27Å; A547-Y571 HydrophobicContact CB-CG 4.14Å
548F92.2Very high88.1Confident27 Ų2745.6 Ų45.612%0.11822%0.215CC..Hα-helixtrans-55.9-44.3171.6171.7-90.3000112T544 R545 G550 F551 M552 Y571 Q587 N591 L592T544-F548 WeakPolarHBondContact O-CB 3.37Å; T544-F548 PolarHBondContact O-N 3.06Å; R545-F548 PolarHBondContact O-N 3.21Å; F548-G550 VanDerWaalsContact C-N 3.27Å; F548-G550 PolarHBondContact O-N 3Å; F548-F551 PolarHBondContact O-N 3.42Å; F548-M552 HydrophobicContact CD1-CG 4.11Å; F548-M552 HydrophobicContact CE1-CG 3.58Å; F548-M552 HydrophobicContact CE1-SD 4.37Å; F548-M552 HydrophobicContact CE2-CG 4.31Å; F548-M552 HydrophobicContact CE2-SD 4.42Å; F548-M552 HydrophobicContact CZ-CG 3.69Å; F548-M552 HydrophobicContact CZ-SD 3.89Å; F548-M552 WeakPolarHBondContact O-CG 3.37Å; F548-M552 PolarHBondContact O-N 3.21Å; F548-Y571 HydrophobicContact CB-CE2 4.27Å; F548-Q587 HydrophobicContact CD2-CB 4.19Å; F548-Q587 HydrophobicContact CE2-CB 4.04Å; F548-Q587 WeakPolarHBondContact CE2-O 3.47Å; F548-Q587 HydrophobicContact CZ-CB 4.47Å; F548-N591 HydrophobicContact CE2-CB 4.11Å; F548-N591 HydrophobicContact CZ-CB 3.78Å; F548-L592 HydrophobicContact CD2-CB 4.3Å; F548-L592 HydrophobicContact CE2-CB 3.76Å
549G89.8Confident87.1Confident25 Ų2544.5 Ų44.526%0.25823%0.227SC..Hα-helixtrans-60.8-33.6173.800000113.4R545 S546 A547 M552 R553R545-G549 PolarHBondContact O-N 3.31Å; S546-G549 WeakPolarHBondContact O-CA 3.44Å; S546-G549 PolarHBondContact O-N 2.96Å; S546-G549 VanDerWaalsContact O-N 3.15Å; A547-G549 VanDerWaalsContact C-N 3.31Å; A547-G549 PolarHBondContact O-N 3.45Å; G549-M552 PolarHBondContact O-N 3.15Å; G549-R553 WeakPolarHBondContact O-CG 3.37Å; G549-R553 PolarHBondContact O-N 3.24Å; G549-R553 PolarHBondContact O-NE 3.01Å
550G88.9Confident86.1Confident8 Ų845.7 Ų45.78%0.08224%0.236CC..Hα-helixtrans-58.9-50170.200000112.7S546 A547 F548 M552 R553 F554S546-G550 PolarHBondContact O-N 3.36Å; A547-G550 WeakPolarHBondContact O-CA 3.26Å; A547-G550 PolarHBondContact O-N 3.18Å; F548-G550 VanDerWaalsContact C-N 3.27Å; F548-G550 PolarHBondContact O-N 3Å; G550-M552 PolarHBondContact O-N 3.47Å; G550-R553 PolarHBondContact O-N 3.44Å; G550-F554 PolarHBondContact O-N 2.95Å
551F91.2Very high85.8Confident1 Ų146.8 Ų46.80%0.00424%0.243CC..Hα-helixtrans-62.4-41.9176.6-75.7-75000113A547 F548 R553 F554 M555 P563 L567 V568 Y571 L592 I607 I611A547-F551 VanDerWaalsContact O-CD2 3.28Å; A547-F551 WeakPolarHBondContact O-CD2 3.22Å; A547-F551 PolarHBondContact O-N 3.22Å; A547-F551 VanDerWaalsContact O-N 3.14Å; F548-F551 PolarHBondContact O-N 3.42Å; F551-R553 PolarHBondContact O-N 2.73Å; F551-F554 PolarHBondContact O-N 3.5Å; F551-M555 PolarHBondContact O-N 3.42Å; F551-P563 HydrophobicContact CD1-CG 4.3Å; F551-P563 HydrophobicContact CE1-CB 4.34Å; F551-P563 HydrophobicContact CE1-CG 4.12Å; F551-L567 HydrophobicContact CE2-CG 4.47Å; F551-V568 HydrophobicContact CE1-CG2 4.23Å; F551-V568 HydrophobicContact CZ-CB 4.43Å; F551-V568 HydrophobicContact CZ-CG2 3.99Å; F551-Y571 HydrophobicContact CD2-CD1 4.03Å; F551-Y571 HydrophobicContact CD2-CE1 4.16Å; F551-Y571 HydrophobicContact CD2-CG 4.49Å; F551-Y571 AromaticContact CE2-CD1 3.42Å; F551-Y571 HydrophobicContact CE2-CD1 3.42Å; F551-Y571 VanDerWaalsContact CE2-CD1 3.42Å; F551-Y571 AromaticContact CE2-CE1 4Å; F551-Y571 HydrophobicContact CE2-CE1 4Å; F551-Y571 AromaticContact CE2-CG 3.82Å; F551-Y571 HydrophobicContact CE2-CG 3.82Å; F551-Y571 HydrophobicContact CZ-CD1 4.18Å; F551-L592 HydrophobicContact CB-CD1 3.93Å; F551-L592 HydrophobicContact CB-CD2 3.82Å; F551-L592 HydrophobicContact CG-CD2 4.06Å; F551-I607 HydrophobicContact CE1-CG2 3.92Å; F551-I611 HydrophobicContact CZ-CD1 4.39Å
552M90.4Very high85.9Confident40 Ų4046.2 Ų46.220%0.19724%0.241CC..Hα-helixtrans-62.9-41177.7-70.2-62.6-65.500112.1F548 G549 G550 M555 Q556 L592F548-M552 HydrophobicContact CD1-CG 4.11Å; F548-M552 HydrophobicContact CE1-CG 3.58Å; F548-M552 HydrophobicContact CE1-SD 4.37Å; F548-M552 HydrophobicContact CE2-CG 4.31Å; F548-M552 HydrophobicContact CE2-SD 4.42Å; F548-M552 HydrophobicContact CZ-CG 3.69Å; F548-M552 HydrophobicContact CZ-SD 3.89Å; F548-M552 WeakPolarHBondContact O-CG 3.37Å; F548-M552 PolarHBondContact O-N 3.21Å; G549-M552 PolarHBondContact O-N 3.15Å; G550-M552 PolarHBondContact O-N 3.47Å; M552-M555 HydrophobicContact CE-CE 3.64Å; M552-M555 PolarHBondContact O-N 3Å; M552-M555 HydrophobicContact SD-CE 3.71Å; M552-Q556 WeakPolarHBondContact O-CG 3.41Å; M552-Q556 PolarHBondContact O-N 3.39Å; M552-L592 HydrophobicContact SD-CD1 3.96Å
553R88.3Confident86Confident77 Ų7746.2 Ų46.229%0.29124%0.241SC..Hα-helixtrans-65.6-42.9174.9-74.3-179.6-66.2167.73.2112.2D491 N494 G549 G550 F551 M555 Q556 N557D491-R553 IonicContact OD2-NH2 3.66Å; D491-R553 PolarHBondContact OD2-NH2 3.47Å; N494-R553 PolarHBondContact OD1-NH1 3.32Å; N494-R553 VanDerWaalsContact OD1-NH1 3.15Å; N494-R553 PolarHBondContact OD1-NH2 2.82Å; G549-R553 WeakPolarHBondContact O-CG 3.37Å; G549-R553 PolarHBondContact O-N 3.24Å; G549-R553 PolarHBondContact O-NE 3.01Å; G550-R553 PolarHBondContact O-N 3.44Å; F551-R553 PolarHBondContact O-N 2.73Å; R553-M555 VanDerWaalsContact C-N 3.3Å; R553-M555 PolarHBondContact O-N 3.19Å; R553-Q556 PolarHBondContact O-N 2.91Å; R553-N557 PolarHBondContact O-N 3.46Å
554F88.2Confident86Confident18 Ų1846.3 Ų46.38%0.07924%0.242CC..Hα-helixtrans-58.6-42.9176.3170.4-109.6000111.7G550 F551 Q556 C562 P563 N603 I607G550-F554 PolarHBondContact O-N 2.95Å; F551-F554 PolarHBondContact O-N 3.5Å; F554-Q556 VanDerWaalsContact C-N 3.31Å; F554-Q556 PolarHBondContact O-N 3.14Å; F554-C562 HydrophobicContact CE2-CB 4.41Å; F554-P563 HydrophobicContact CB-CG 4.29Å; F554-P563 HydrophobicContact CD1-CG 4Å; F554-P563 HydrophobicContact CD2-CG 4.37Å; F554-P563 HydrophobicContact CE1-CG 4.44Å; F554-P563 HydrophobicContact CG-CG 3.95Å; F554-N603 HydrophobicContact CE1-CB 3.99Å; F554-N603 HydrophobicContact CZ-CB 3.86Å; F554-I607 HydrophobicContact CE1-CD1 3.95Å
555M88.5Confident86.1Confident13 Ų1346.7 Ų46.76%0.06424%0.244CC..Hα-helixtrans-63-35.6177.3-173.7-179.962.300112.9F551 M552 R553 A595 A596 C601 T604F551-M555 PolarHBondContact O-N 3.42Å; M552-M555 HydrophobicContact CE-CE 3.64Å; M552-M555 PolarHBondContact O-N 3Å; M552-M555 HydrophobicContact SD-CE 3.71Å; R553-M555 VanDerWaalsContact C-N 3.3Å; R553-M555 PolarHBondContact O-N 3.19Å; M555-A595 HydrophobicContact CE-CB 3.8Å; M555-A595 HydrophobicContact SD-CB 4.14Å; M555-A596 HydrophobicContact SD-CB 4.1Å; M555-C601 HydrophobicContact CG-CB 4.03Å; M555-C601 WeakPolarHBondContact CG-SG 2.87Å; M555-T604 HydrophobicContact SD-CG2 4.49Å
556Q84.9Confident86.3Confident122 Ų12239.6 Ų39.657%0.5722%0.218SC*.Hα-helixtrans-80-33.4-178.4-71.2172.4-12.700113.5M552 R553 F554 K558M552-Q556 WeakPolarHBondContact O-CG 3.41Å; M552-Q556 PolarHBondContact O-N 3.39Å; R553-Q556 PolarHBondContact O-N 2.91Å; F554-Q556 VanDerWaalsContact C-N 3.31Å; F554-Q556 PolarHBondContact O-N 3.14Å; Q556-K558 PolarHBondContact O-N 2.56Å
557N77.8Confident86.5Confident86 Ų8638.6 Ų38.646%0.4621%0.21SC..SBendtrans-93.390.7-175.1-68.8-13.5000111.5R553 G559 S560R553-N557 PolarHBondContact O-N 3.46Å; N557-G559 PolarHBondContact O-N 2.71Å; N557-S560 WeakPolarHBondContact O-CB 3.4Å; N557-S560 PolarHBondContact O-N 3.36Å
558K64.8Low86.6Confident213 Ų21338.5 Ų38.593%0.92621%0.209SC*.THydrogen-bonded Turntrans-57.7131.7172.2-63.8-175.3178.2-176.40110.4Q556Q556-K558 PolarHBondContact O-N 2.56Å
559G63.9Low86.7Confident63 Ų6338 Ų3865%0.64921%0.207SC*.THydrogen-bonded Turntrans836.6-177.800000115.5N557N557-G559 PolarHBondContact O-N 2.71Å
560S71.2Confident86.9Confident26 Ų2636.8 Ų36.818%0.18220%0.195CC..PPolyproline II helixtrans-82.8147.5179103.60000112.5R493 N557 C562R493-S560 PolarHBondContact NH1-OG 2.7Å; R493-S560 VanDerWaalsContact NH1-OG 3.13Å; R493-S560 VanDerWaalsContact NH2-CB 3.32Å; R493-S560 PolarHBondContact NH2-OG 2.9Å; N557-S560 WeakPolarHBondContact O-CB 3.4Å; N557-S560 PolarHBondContact O-N 3.36Å; S560-C562 PolarHBondContact O-N 3.17Å
561L84.8Confident87.2Confident51 Ų5136.4 Ų36.427%0.26719%0.191SC..PPolyproline II helixtrans-48.7137.2172.5-162.671.5000111.5R493 T511 L519 A520 D521R493-L561 PolarHBondContact NH2-O 2.85Å; T511-L561 HydrophobicContact CG2-CD1 3.53Å; T511-L561 HydrophobicContact CG2-CD2 3.87Å; T511-L561 HydrophobicContact CG2-CG 4.39Å; L519-L561 VanDerWaalsContact C-CD1 3.5Å; L519-L561 HydrophobicContact CB-CD1 3.71Å; L519-L561 VanDerWaalsContact O-CD1 3.31Å; L519-L561 WeakPolarHBondContact O-CD1 3.38Å; A520-L561 VanDerWaalsContact C-CG 3.46Å; D521-L561 VanDerWaalsContact CA-CD2 3.43Å; D521-L561 HydrophobicContact CB-CD2 3.82Å
562C89.9Confident87.2Confident11 Ų1136.6 Ų36.67%0.07419%0.192CC..BIsolated β-bridgetrans-62.8153.2179.6-73.80000111.9L514 L519 A520 D521 F554 S560 S564 P959L514-C562 HydrophobicContact CD1-CB 4.12Å; L519-C562 WeakPolarHBondContact O-CB 3.5Å; L519-C562 PolarHBondContact O-N 3.45Å; A520-C562 WeakPolarHBondContact CA-O 3.37Å; A520-C562 HydrophobicContact CB-CB 4.01Å; D521-C562 PolarHBondContact N-O 3.33Å; F554-C562 HydrophobicContact CE2-CB 4.41Å; S560-C562 PolarHBondContact O-N 3.17Å; C562-S564 PolarHBondContact O-N 2.98Å; C562-P959 HydrophobicContact CB-CB 4.4Å
563P92.2Very high87.3Confident10 Ų1034.8 Ų34.87%0.06518%0.183CC..PPolyproline II helixtrans-47.5140.8171.2-30.238.3000111.6F551 F554 L567 V568 I607 Y961F551-P563 HydrophobicContact CD1-CG 4.3Å; F551-P563 HydrophobicContact CE1-CB 4.34Å; F551-P563 HydrophobicContact CE1-CG 4.12Å; F554-P563 HydrophobicContact CB-CG 4.29Å; F554-P563 HydrophobicContact CD1-CG 4Å; F554-P563 HydrophobicContact CD2-CG 4.37Å; F554-P563 HydrophobicContact CE1-CG 4.44Å; F554-P563 HydrophobicContact CG-CG 3.95Å; P563-L567 HydrophobicContact CB-CD2 3.98Å; P563-V568 HydrophobicContact CB-CG2 3.79Å; P563-I607 HydrophobicContact CG-CD1 4.27Å; P563-Y961 PolarHBondContact O-OH 2.92Å
564S93.4Very high87.5Confident2 Ų231.1 Ų31.11%0.01417%0.17CC..PPolyproline II helixtrans-64.9149.4176.580.90000110.2F490 R523 C562 A566 L567 V568F490-S564 PolarHBondContact O-OG 3.41Å; R523-S564 WeakPolarHBondContact O-CB 3.42Å; R523-S564 PolarHBondContact O-OG 2.76Å; C562-S564 PolarHBondContact O-N 2.98Å; S564-A566 PolarHBondContact O-N 3.44Å; S564-A566 PolarHBondContact OG-N 3.24Å; S564-L567 PolarHBondContact O-N 3.04Å; S564-L567 WeakPolarHBondContact OG-CB 3.44Å; S564-L567 PolarHBondContact OG-N 2.85Å; S564-V568 PolarHBondContact O-N 3.35Å; S564-V568 VanDerWaalsContact O-N 3.13Å
565P94.7Very high87.6Confident10 Ų1030.4 Ų30.47%0.06517%0.167CC..Hα-helixtrans-54.5-35.5171.1-26.134.1000112.7V512 L514 R523 V524 L567 E569 Y923 Y961V512-P565 HydrophobicContact CG1-CG 4.46Å; L514-P565 HydrophobicContact CD2-CG 3.83Å; R523-P565 WeakPolarHBondContact O-CD 3.11Å; V524-P565 HydrophobicContact CG1-CG 4.32Å; P565-L567 PolarHBondContact O-N 3.23Å; P565-E569 VanDerWaalsContact O-CB 3.28Å; P565-E569 WeakPolarHBondContact O-CB 3.27Å; P565-E569 PolarHBondContact O-N 3.44Å; P565-Y923 HydrophobicContact CB-CD2 3.98Å; P565-Y923 HydrophobicContact CB-CG 4.08Å; P565-Y923 HydrophobicContact CG-CD2 3.53Å; P565-Y923 HydrophobicContact CG-CE2 4.11Å; P565-Y923 HydrophobicContact CG-CG 3.98Å; P565-Y961 HydrophobicContact CG-CE1 4.43Å
566A93.7Very high87.5Confident0 Ų030.9 Ų30.90%017%0.171CC..Hα-helixtrans-62.4-40.517500000112.7F490 R523 R525 S564 S570F490-A566 HydrophobicContact CB-CB 3.68Å; R523-A566 HydrophobicContact CB-CB 3.99Å; R523-A566 WeakPolarHBondContact O-CB 3.39Å; R523-A566 PolarHBondContact O-N 2.91Å; R525-A566 VanDerWaalsContact O-CB 3.27Å; R525-A566 WeakPolarHBondContact O-CB 3.38Å; S564-A566 PolarHBondContact O-N 3.44Å; S564-A566 PolarHBondContact OG-N 3.24Å; A566-S570 WeakPolarHBondContact O-CB 3.42Å; A566-S570 PolarHBondContact O-N 3.45Å; A566-S570 PolarHBondContact O-OG 3.41Å
567L94.8Very high87.4Confident6 Ų625.4 Ų25.43%0.03115%0.145CC..Hα-helixtrans-66.7-48.6179.3170.660.7000110.6F490 A547 F551 P563 S564 P565 Y571F490-L567 HydrophobicContact CD2-CB 4.02Å; F490-L567 HydrophobicContact CD2-CD1 3.49Å; F490-L567 VanDerWaalsContact CD2-CD1 3.49Å; F490-L567 HydrophobicContact CD2-CG 4.34Å; F490-L567 HydrophobicContact CE2-CD1 3.59Å; F490-L567 WeakPolarHBondContact O-CB 3.22Å; A547-L567 HydrophobicContact CB-CD1 3.72Å; F551-L567 HydrophobicContact CE2-CG 4.47Å; P563-L567 HydrophobicContact CB-CD2 3.98Å; S564-L567 PolarHBondContact O-N 3.04Å; S564-L567 WeakPolarHBondContact OG-CB 3.44Å; S564-L567 PolarHBondContact OG-N 2.85Å; P565-L567 PolarHBondContact O-N 3.23Å; L567-Y571 VanDerWaalsContact O-CB 3.29Å; L567-Y571 WeakPolarHBondContact O-CB 3.28Å; L567-Y571 PolarHBondContact O-N 3.26Å
568V94.8Very high87Confident0 Ų024.7 Ų24.70%015%0.147CC..Hα-helixtrans-61-50.1-179.8-176.90000110.3F551 P563 S564 Y571 C572 I607 I611 Y961 Y962F551-V568 HydrophobicContact CE1-CG2 4.23Å; F551-V568 HydrophobicContact CZ-CB 4.43Å; F551-V568 HydrophobicContact CZ-CG2 3.99Å; P563-V568 HydrophobicContact CB-CG2 3.79Å; S564-V568 PolarHBondContact O-N 3.35Å; S564-V568 VanDerWaalsContact O-N 3.13Å; V568-Y571 PolarHBondContact O-N 2.6Å; V568-C572 PolarHBondContact O-N 2.96Å; V568-C572 PolarHBondContact O-SG 2.92Å; V568-I607 HydrophobicContact CG1-CG2 4.4Å; V568-I611 HydrophobicContact CG1-CD1 4.1Å; V568-I611 HydrophobicContact CG1-CG1 4.07Å; V568-Y961 HydrophobicContact CB-CD1 4.35Å; V568-Y961 HydrophobicContact CB-CE1 4.32Å; V568-Y961 HydrophobicContact CG2-CD1 4.11Å; V568-Y961 HydrophobicContact CG2-CE1 3.62Å; V568-Y961 HydrophobicContact CG2-CE2 4.37Å; V568-Y962 HydrophobicContact CG1-CE2 4.19Å; V568-Y962 WeakPolarHBondContact CG1-OH 3.23Å
569E94.5Very high87.2Confident15 Ų1514.9 Ų14.97%0.0711%0.105CC..Hα-helixtrans-69.2-41.2-177.6-173.663.2-147.300112.2P526 P565 Y571 C572 R573 R615 Y962P526-E569 HydrophobicContact CB-CB 3.83Å; P526-E569 HydrophobicContact CB-CG 3.81Å; P526-E569 HydrophobicContact CG-CB 4.09Å; P526-E569 HydrophobicContact CG-CG 3.69Å; P565-E569 VanDerWaalsContact O-CB 3.28Å; P565-E569 WeakPolarHBondContact O-CB 3.27Å; P565-E569 PolarHBondContact O-N 3.44Å; E569-Y571 VanDerWaalsContact C-N 3.29Å; E569-Y571 PolarHBondContact O-N 3.08Å; E569-C572 WeakPolarHBondContact O-CB 3.47Å; E569-C572 PolarHBondContact O-N 3.47Å; E569-R573 VanDerWaalsContact O-CG 3.31Å; E569-R573 WeakPolarHBondContact O-CG 3.31Å; E569-R573 PolarHBondContact O-N 3.42Å; E569-R573 IonicContact OE1-NE 3.56Å; E569-R615 IonicContact OE1-NE 2.67Å; E569-R615 IonicContact OE2-CZ 3.06Å; E569-R615 IonicContact OE2-NE 3.17Å; E569-R615 PolarHBondContact OE2-NE 3.02Å; E569-R615 IonicContact OE2-NH2 2.77Å; E569-Y962 WeakPolarHBondContact OE2-CE1 3.13Å; E569-Y962 PolarHBondContact OE2-OH 3.09Å
570S93.8Very high87.2Confident1 Ų112.5 Ų12.51%0.0078%0.078CC..Hα-helixtrans-62.1-37.7175.9-57.70000112P526 L527 A566 R573 L574P526-S570 WeakPolarHBondContact CA-OG 3.09Å; P526-S570 WeakPolarHBondContact CB-OG 3.23Å; L527-S570 PolarHBondContact N-OG 3.49Å; A566-S570 WeakPolarHBondContact O-CB 3.42Å; A566-S570 PolarHBondContact O-N 3.45Å; A566-S570 PolarHBondContact O-OG 3.41Å; S570-R573 PolarHBondContact O-N 2.94Å; S570-L574 WeakPolarHBondContact O-CG 2.96Å; S570-L574 PolarHBondContact O-N 3.03Å; S570-L574 VanDerWaalsContact O-N 3.1Å
571Y94.5Very high86.9Confident0 Ų015.9 Ų15.90%09%0.091CC..Hα-helixtrans-66.4-43.9175.3-172.7-122.5000111.7T544 A547 F548 F551 L567 V568 E569 R573 L574 L575 F588T544-Y571 HydrophobicContact CG2-CD2 3.88Å; T544-Y571 HydrophobicContact CG2-CE2 3.46Å; T544-Y571 VanDerWaalsContact CG2-CE2 3.46Å; A547-Y571 HydrophobicContact CB-CD2 3.56Å; A547-Y571 HydrophobicContact CB-CE2 4.27Å; A547-Y571 HydrophobicContact CB-CG 4.14Å; F548-Y571 HydrophobicContact CB-CE2 4.27Å; F551-Y571 HydrophobicContact CD2-CD1 4.03Å; F551-Y571 HydrophobicContact CD2-CE1 4.16Å; F551-Y571 HydrophobicContact CD2-CG 4.49Å; F551-Y571 AromaticContact CE2-CD1 3.42Å; F551-Y571 HydrophobicContact CE2-CD1 3.42Å; F551-Y571 VanDerWaalsContact CE2-CD1 3.42Å; F551-Y571 AromaticContact CE2-CE1 4Å; F551-Y571 HydrophobicContact CE2-CE1 4Å; F551-Y571 AromaticContact CE2-CG 3.82Å; F551-Y571 HydrophobicContact CE2-CG 3.82Å; F551-Y571 HydrophobicContact CZ-CD1 4.18Å; L567-Y571 VanDerWaalsContact O-CB 3.29Å; L567-Y571 WeakPolarHBondContact O-CB 3.28Å; L567-Y571 PolarHBondContact O-N 3.26Å; V568-Y571 PolarHBondContact O-N 2.6Å; E569-Y571 VanDerWaalsContact C-N 3.29Å; E569-Y571 PolarHBondContact O-N 3.08Å; Y571-R573 VanDerWaalsContact C-N 3.33Å; Y571-R573 PolarHBondContact O-N 2.94Å; Y571-L574 PolarHBondContact O-N 3.49Å; Y571-L575 HydrophobicContact CD1-CD1 3.94Å; Y571-L575 HydrophobicContact CE1-CD1 3.58Å; Y571-L575 HydrophobicContact CE1-CG 4.43Å; Y571-L575 HydrophobicContact CE2-CD1 4.38Å; Y571-L575 HydrophobicContact CE2-CG 4.42Å; Y571-L575 HydrophobicContact CG-CD1 4.48Å; Y571-L575 WeakPolarHBondContact O-CG 3.04Å; Y571-L575 PolarHBondContact O-N 3.5Å; Y571-F588 AromaticContact CE1-CD2 3.7Å; Y571-F588 HydrophobicContact CE1-CD2 3.7Å; Y571-F588 HydrophobicContact CE1-CE2 4.22Å
572C93.1Very high85.7Confident4 Ų417.7 Ų17.73%0.02710%0.099CC..Hα-helixtrans-56.7-44.4173.2-70.20000112.4V568 E569 L574 L575 S576 R615V568-C572 PolarHBondContact O-N 2.96Å; V568-C572 PolarHBondContact O-SG 2.92Å; E569-C572 WeakPolarHBondContact O-CB 3.47Å; E569-C572 PolarHBondContact O-N 3.47Å; C572-L574 VanDerWaalsContact C-N 3.34Å; C572-L574 PolarHBondContact O-N 3.02Å; C572-L575 CarbonylContact O-C 3.59Å; C572-L575 PolarHBondContact O-N 3.31Å; C572-S576 PolarHBondContact O-N 2.96Å; C572-S576 VanDerWaalsContact O-N 3.15Å; C572-R615 HydrophobicContact CB-CB 3.81Å; C572-R615 HydrophobicContact CB-CG 4.04Å
573R92.3Very high84.8Confident2 Ų217.4 Ų17.41%0.00810%0.096CC..Hα-helixtrans-62.6-38.6177-68.6-178.1179.6169.72.7112.7P526 L527 F529 L532 E569 S570 Y571 L575 S576 Y577 C919 Q920P526-R573 VanDerWaalsContact CG-CZ 3.48Å; P526-R573 VanDerWaalsContact CG-NH1 3.31Å; L527-R573 VanDerWaalsContact C-NH1 3.32Å; L527-R573 VanDerWaalsContact O-CD 3.24Å; L527-R573 WeakPolarHBondContact O-CD 3.4Å; L527-R573 PolarHBondContact O-NH1 3.4Å; F529-R573 HydrophobicContact CD1-CB 4.19Å; F529-R573 HydrophobicContact CD1-CG 4.45Å; F529-R573 HydrophobicContact CD2-CG 4.37Å; F529-R573 HydrophobicContact CE1-CB 3.52Å; F529-R573 HydrophobicContact CE1-CG 3.85Å; F529-R573 WeakPolarHBondContact CE1-O 3.17Å; F529-R573 HydrophobicContact CE2-CB 4.33Å; F529-R573 HydrophobicContact CE2-CG 3.7Å; F529-R573 HydrophobicContact CZ-CB 3.59Å; F529-R573 HydrophobicContact CZ-CG 3.42Å; F529-R573 VanDerWaalsContact CZ-CG 3.42Å; L532-R573 HydrophobicContact CD1-CB 3.86Å; E569-R573 VanDerWaalsContact O-CG 3.31Å; E569-R573 WeakPolarHBondContact O-CG 3.31Å; E569-R573 PolarHBondContact O-N 3.42Å; E569-R573 IonicContact OE1-NE 3.56Å; S570-R573 PolarHBondContact O-N 2.94Å; Y571-R573 VanDerWaalsContact C-N 3.33Å; Y571-R573 PolarHBondContact O-N 2.94Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-S576 PolarHBondContact O-N 2.87Å; R573-S576 PolarHBondContact O-OG 3.42Å; R573-Y577 VanDerWaalsContact O-CD2 3.3Å; R573-Y577 WeakPolarHBondContact O-CD2 3.08Å; R573-Y577 WeakPolarHBondContact O-CE2 3.42Å; R573-C919 PolarHBondContact NH2-O 3.28Å; R573-Q920 VanDerWaalsContact NH1-OE1 3.07Å
574L91.8Very high84.3Confident1 Ų117.2 Ų17.21%0.00510%0.096CC..Hα-helixtrans-68.5-33.9175.1-73.6161.9000112.2L532 R540 I543 T544 S570 Y571 C572 S576L532-L574 HydrophobicContact CD1-CD2 4.38Å; L532-L574 HydrophobicContact CD1-CG 4.34Å; L532-L574 HydrophobicContact CD2-CD2 4.02Å; L532-L574 HydrophobicContact CD2-CG 4.48Å; R540-L574 HydrophobicContact CB-CD2 3.96Å; R540-L574 HydrophobicContact CG-CD2 4.12Å; I543-L574 HydrophobicContact CB-CD1 4.05Å; I543-L574 HydrophobicContact CG2-CD1 3.52Å; T544-L574 HydrophobicContact CG2-CB 4.34Å; S570-L574 WeakPolarHBondContact O-CG 2.96Å; S570-L574 PolarHBondContact O-N 3.03Å; S570-L574 VanDerWaalsContact O-N 3.1Å; Y571-L574 PolarHBondContact O-N 3.49Å; C572-L574 VanDerWaalsContact C-N 3.34Å; C572-L574 PolarHBondContact O-N 3.02Å; L574-S576 VanDerWaalsContact C-N 3.28Å; L574-S576 PolarHBondContact O-N 3.46Å
575L90.5Very high83.9Confident3 Ų317.1 Ų17.12%0.01610%0.096CC..THydrogen-bonded Turntrans-78.3-4.8176.6-67.9-178.9000114.2T544 Y571 C572 R573 T580 L585 F588 L616T544-L575 HydrophobicContact CG2-CD2 4.4Å; Y571-L575 HydrophobicContact CD1-CD1 3.94Å; Y571-L575 HydrophobicContact CE1-CD1 3.58Å; Y571-L575 HydrophobicContact CE1-CG 4.43Å; Y571-L575 HydrophobicContact CE2-CD1 4.38Å; Y571-L575 HydrophobicContact CE2-CG 4.42Å; Y571-L575 HydrophobicContact CG-CD1 4.48Å; Y571-L575 WeakPolarHBondContact O-CG 3.04Å; Y571-L575 PolarHBondContact O-N 3.5Å; C572-L575 CarbonylContact O-C 3.59Å; C572-L575 PolarHBondContact O-N 3.31Å; R573-L575 VanDerWaalsContact C-N 3.33Å; L575-T580 WeakPolarHBondContact O-CG2 3.38Å; L575-L585 HydrophobicContact CD2-CB 4.34Å; L575-F588 HydrophobicContact CD1-CB 4.25Å; L575-F588 HydrophobicContact CD1-CD1 4.41Å; L575-F588 HydrophobicContact CD1-CD2 4.17Å; L575-F588 HydrophobicContact CD1-CG 4.02Å; L575-L616 HydrophobicContact CB-CD2 3.8Å; L575-L616 HydrophobicContact CD1-CD1 4.33Å
576S86.2Confident83.6Confident22 Ų2222.4 Ų22.415%0.15412%0.118CC..THydrogen-bonded Turntrans-95.1-6.2177.8730000114.6F529 C572 R573 L574F529-S576 WeakPolarHBondContact CZ-OG 3.29Å; C572-S576 PolarHBondContact O-N 2.96Å; C572-S576 VanDerWaalsContact O-N 3.15Å; R573-S576 PolarHBondContact O-N 2.87Å; R573-S576 PolarHBondContact O-OG 3.42Å; L574-S576 VanDerWaalsContact C-N 3.28Å; L574-S576 PolarHBondContact O-N 3.46Å
577Y83Confident83.3Confident7 Ų725.4 Ų25.43%0.02713%0.132CC..SBendtrans-68.2145.3174.2-80.2-90.8000111.5F529 L532 D533 R573 D579 T580 L583 R1109F529-Y577 HydrophobicContact CD1-CE2 4.48Å; F529-Y577 HydrophobicContact CE1-CE2 4.4Å; L532-Y577 HydrophobicContact CB-CE2 4.39Å; L532-Y577 VanDerWaalsContact CB-OH 3.22Å; L532-Y577 WeakPolarHBondContact CB-OH 3.34Å; D533-Y577 PolarHBondContact N-OH 3Å; D533-Y577 WeakPolarHBondContact OD1-CE1 3.48Å; D533-Y577 PolarHBondContact OD1-OH 3.42Å; R573-Y577 VanDerWaalsContact O-CD2 3.3Å; R573-Y577 WeakPolarHBondContact O-CD2 3.08Å; R573-Y577 WeakPolarHBondContact O-CE2 3.42Å; Y577-D579 PolarHBondContact O-N 3.11Å; Y577-T580 WeakPolarHBondContact O-CG2 3.39Å; Y577-T580 PolarHBondContact O-N 3.09Å; Y577-L583 HydrophobicContact CD2-CD1 4.21Å; Y577-L583 HydrophobicContact CG-CD1 3.93Å; Y577-R1109 PolarHBondContact OH-NH1 3.46Å
578S68.8Low83.2Confident72 Ų7225.1 Ų25.150%0.50313%0.13SC..THydrogen-bonded Turntrans-51.7-32.7175.943.40000113.8T372 T580T372-S578 WeakPolarHBondContact CG2-OG 3.47Å; S578-T580 PolarHBondContact O-N 2.92Å
579D69.7Low83Confident7 Ų725.1 Ų25.14%0.03713%0.13CC..THydrogen-bonded Turntrans-78.528.6174.8-63.7-37000113.9R320 T372 Y577 E581 M582 L583R320-D579 IonicContact NH2-OD1 3.61Å; T372-D579 WeakPolarHBondContact CG2-OD1 3.46Å; Y577-D579 PolarHBondContact O-N 3.11Å; D579-E581 PolarHBondContact O-N 3.47Å; D579-M582 HydrophobicContact CB-CB 4.41Å; D579-M582 WeakPolarHBondContact O-CB 3.21Å; D579-M582 PolarHBondContact O-N 3.39Å; D579-L583 HydrophobicContact CB-CD1 4.22Å; D579-L583 HydrophobicContact CB-CG 4.5Å; D579-L583 PolarHBondContact O-N 3.17Å
580T63.6Low82.7Confident13 Ų1326.3 Ų26.38%0.0814%0.14CC..Hα-helixtrans-43-44.1-178.550.90000113.9L575 Y577 S578 L583 G584 L585L575-T580 WeakPolarHBondContact O-CG2 3.38Å; Y577-T580 WeakPolarHBondContact O-CG2 3.39Å; Y577-T580 PolarHBondContact O-N 3.09Å; S578-T580 PolarHBondContact O-N 2.92Å; T580-L583 PolarHBondContact O-N 3.5Å; T580-G584 PolarHBondContact O-N 3.16Å; T580-L585 HydrophobicContact CG2-CD2 4.27Å; T580-L585 WeakPolarHBondContact O-CB 3.34Å; T580-L585 PolarHBondContact O-N 3.39Å
581E65.2Low82.6Confident97 Ų9730.1 Ų30.145%0.45316%0.16SC..Hα-helixtrans-64.2-43.6-178.5-177.6166.7-148.300112.4D579 Y623D579-E581 PolarHBondContact O-N 3.47Å; E581-Y623 HydrophobicContact CB-CE2 4.49Å; E581-Y623 HydrophobicContact CG-CE2 4.5Å; E581-Y623 PolarHBondContact OE1-OH 3.44Å
582M59.8Low82.5Confident89 Ų8930.2 Ų30.244%0.43816%0.161SC..Hα-helixtrans-68.4-37.4175.5-71.9-82.3-81.600111.3V379 D579 G584V379-M582 HydrophobicContact CG2-CE 4.46Å; D579-M582 HydrophobicContact CB-CB 4.41Å; D579-M582 WeakPolarHBondContact O-CB 3.21Å; D579-M582 PolarHBondContact O-N 3.39Å; M582-G584 VanDerWaalsContact C-N 3.3Å; M582-G584 PolarHBondContact O-N 3.15Å
583L70.3Confident82.5Confident4 Ų430 Ų302%0.02116%0.16CC..Hα-helixtrans-77.1-13.2-176.4-72.3167.1000113.6R540 I541 T544 Y577 D579 T580R540-L583 HydrophobicContact CB-CD2 3.61Å; I541-L583 HydrophobicContact CG1-CD2 3.94Å; T544-L583 WeakPolarHBondContact CB-O 3.39Å; T544-L583 WeakPolarHBondContact CG2-O 3.12Å; T544-L583 PolarHBondContact OG1-O 3.49Å; Y577-L583 HydrophobicContact CD2-CD1 4.21Å; Y577-L583 HydrophobicContact CG-CD1 3.93Å; D579-L583 HydrophobicContact CB-CD1 4.22Å; D579-L583 HydrophobicContact CB-CG 4.5Å; D579-L583 PolarHBondContact O-N 3.17Å; T580-L583 PolarHBondContact O-N 3.5Å
584G80.8Confident82.5Confident6 Ų632.6 Ų32.66%0.06218%0.176CC..THydrogen-bonded Turntrans119.613.5170.200000115.4T580 M582 K586 Q587 F588T580-G584 PolarHBondContact O-N 3.16Å; M582-G584 VanDerWaalsContact C-N 3.3Å; M582-G584 PolarHBondContact O-N 3.15Å; G584-K586 PolarHBondContact O-N 3.43Å; G584-Q587 WeakPolarHBondContact O-CA 3.48Å; G584-Q587 WeakPolarHBondContact O-CB 3.41Å; G584-Q587 PolarHBondContact O-N 3.18Å; G584-F588 PolarHBondContact O-N 3.28Å
585L85.8Confident82.5Confident1 Ų133.5 Ų33.51%0.00518%0.183CC..Hα-helixtrans-53.6-38172.2178.567.1000111.6L575 T580 Q587 F588 V589 V619 P620 Y623L575-L585 HydrophobicContact CD2-CB 4.34Å; T580-L585 HydrophobicContact CG2-CD2 4.27Å; T580-L585 WeakPolarHBondContact O-CB 3.34Å; T580-L585 PolarHBondContact O-N 3.39Å; L585-Q587 VanDerWaalsContact C-N 3.3Å; L585-Q587 PolarHBondContact O-N 3.23Å; L585-F588 HydrophobicContact CD1-CD1 4.28Å; L585-F588 WeakPolarHBondContact O-CB 3.31Å; L585-F588 PolarHBondContact O-N 3.01Å; L585-V589 HydrophobicContact CD1-CG2 4.05Å; L585-V589 HydrophobicContact CG-CG2 4.37Å; L585-V589 WeakPolarHBondContact O-CG2 3.36Å; L585-V589 PolarHBondContact O-N 3.14Å; L585-V619 HydrophobicContact CD1-CG1 4.38Å; L585-V619 HydrophobicContact CD2-CG1 4Å; L585-P620 HydrophobicContact CD2-CG 4.44Å; L585-Y623 HydrophobicContact CD2-CD2 3.65Å; L585-Y623 HydrophobicContact CD2-CE2 4.38Å; L585-Y623 HydrophobicContact CD2-CG 3.86Å; L585-Y623 HydrophobicContact CG-CD2 4.36Å; L585-Y623 HydrophobicContact CG-CG 4.21Å
586K87.7Confident82.6Confident121 Ų12133.3 Ų33.353%0.52618%0.182SC..Hα-helixtrans-59.1-40.1173.4-177.1177.2178.2178.90112.3G584 S590 Y623G584-K586 PolarHBondContact O-N 3.43Å; K586-S590 WeakPolarHBondContact O-CA 3.43Å; K586-S590 WeakPolarHBondContact O-CB 3.34Å; K586-S590 PolarHBondContact O-N 3.14Å; K586-S590 PolarHBondContact O-OG 2.73Å; K586-Y623 HydrophobicContact CB-CE1 3.98Å; K586-Y623 HydrophobicContact CG-CE1 4.24Å
587Q89.1Confident82.8Confident62 Ų6233.1 Ų33.129%0.2918%0.18SC..Hα-helixtrans-70.4-41.3177.4-64179.3-35.300111.1F548 G584 L585 N591 L592F548-Q587 HydrophobicContact CD2-CB 4.19Å; F548-Q587 HydrophobicContact CE2-CB 4.04Å; F548-Q587 WeakPolarHBondContact CE2-O 3.47Å; F548-Q587 HydrophobicContact CZ-CB 4.47Å; G584-Q587 WeakPolarHBondContact O-CA 3.48Å; G584-Q587 WeakPolarHBondContact O-CB 3.41Å; G584-Q587 PolarHBondContact O-N 3.18Å; L585-Q587 VanDerWaalsContact C-N 3.3Å; L585-Q587 PolarHBondContact O-N 3.23Å; Q587-N591 WeakPolarHBondContact O-CA 3.16Å; Q587-N591 VanDerWaalsContact O-CB 3.25Å; Q587-N591 WeakPolarHBondContact O-CB 3.42Å; Q587-N591 PolarHBondContact O-N 3.21Å; Q587-L592 PolarHBondContact O-N 3.33Å; Q587-L592 VanDerWaalsContact O-N 3.1Å
588F92.7Very high83.2Confident0 Ų041.3 Ų41.30%022%0.216CC..Iπ-helixtrans-53.8-58172.6177.3-108.4000110.6Y571 L575 G584 L585 L592 V593 I608 I611 L616 L627Y571-F588 AromaticContact CE1-CD2 3.7Å; Y571-F588 HydrophobicContact CE1-CD2 3.7Å; Y571-F588 HydrophobicContact CE1-CE2 4.22Å; L575-F588 HydrophobicContact CD1-CB 4.25Å; L575-F588 HydrophobicContact CD1-CD1 4.41Å; L575-F588 HydrophobicContact CD1-CD2 4.17Å; L575-F588 HydrophobicContact CD1-CG 4.02Å; G584-F588 PolarHBondContact O-N 3.28Å; L585-F588 HydrophobicContact CD1-CD1 4.28Å; L585-F588 WeakPolarHBondContact O-CB 3.31Å; L585-F588 PolarHBondContact O-N 3.01Å; F588-L592 HydrophobicContact CD2-CD2 3.86Å; F588-L592 HydrophobicContact CE2-CD2 4.02Å; F588-L592 WeakPolarHBondContact O-CB 3.31Å; F588-L592 PolarHBondContact O-N 2.93Å; F588-V593 HydrophobicContact CD1-CG2 4.46Å; F588-V593 HydrophobicContact CE1-CG2 4.19Å; F588-V593 HydrophobicContact CZ-CG2 4.26Å; F588-V593 WeakPolarHBondContact O-CG2 3.41Å; F588-V593 PolarHBondContact O-N 3.46Å; F588-I608 HydrophobicContact CE2-CG1 4.4Å; F588-I608 HydrophobicContact CZ-CG1 4.48Å; F588-I608 HydrophobicContact CZ-CG2 4.36Å; F588-I611 HydrophobicContact CE2-CD1 4.4Å; F588-I611 HydrophobicContact CE2-CG2 4.41Å; F588-I611 HydrophobicContact CZ-CB 4.5Å; F588-I611 HydrophobicContact CZ-CG2 3.93Å; F588-L616 HydrophobicContact CD1-CD1 4.37Å; F588-L616 HydrophobicContact CE1-CD1 3.85Å; F588-L616 HydrophobicContact CZ-CD1 4.33Å; F588-L627 HydrophobicContact CE1-CD1 4.28Å
589V90.6Very high84.2Confident0 Ų042.8 Ų42.80%021%0.214CC..Iπ-helixtrans-74.1-45.5-174.6-168.20000112.5L585 H626 L627L585-V589 HydrophobicContact CD1-CG2 4.05Å; L585-V589 HydrophobicContact CG-CG2 4.37Å; L585-V589 WeakPolarHBondContact O-CG2 3.36Å; L585-V589 PolarHBondContact O-N 3.14Å; V589-H626 HydrophobicContact CG1-CB 3.99Å; V589-H626 WeakPolarHBondContact CG1-ND1 3.21Å; V589-L627 HydrophobicContact CG1-CB 3.98Å
590S87.3Confident85.2Confident41 Ų4146.4 Ų46.429%0.28723%0.231SC..Iπ-helixtrans-83.2-23.7-171.1-43.60000113.5K586 V594K586-S590 WeakPolarHBondContact O-CA 3.43Å; K586-S590 WeakPolarHBondContact O-CB 3.34Å; K586-S590 PolarHBondContact O-N 3.14Å; K586-S590 PolarHBondContact O-OG 2.73Å; S590-V594 WeakPolarHBondContact O-CB 3.34Å; S590-V594 WeakPolarHBondContact O-CG2 2.92Å
591N91.6Very high86.6Confident80 Ų8047 Ų4743%0.42824%0.236SC..Iπ-helixtrans-113.3-57.9-177.1-57.8-9.6000111.4F548 Q587 A595F548-N591 HydrophobicContact CE2-CB 4.11Å; F548-N591 HydrophobicContact CZ-CB 3.78Å; Q587-N591 WeakPolarHBondContact O-CA 3.16Å; Q587-N591 VanDerWaalsContact O-CB 3.25Å; Q587-N591 WeakPolarHBondContact O-CB 3.42Å; Q587-N591 PolarHBondContact O-N 3.21Å; N591-A595 WeakPolarHBondContact O-CB 3.24Å; N591-A595 PolarHBondContact O-N 2.72Å
592L93.2Very high87.8Confident2 Ų244.5 Ų44.51%0.0123%0.225CC..Iπ-helixtrans-67.1-51.4-174.2179.262.4000111.4F548 F551 M552 Q587 F588 A595 A596 T604 I608F548-L592 HydrophobicContact CD2-CB 4.3Å; F548-L592 HydrophobicContact CE2-CB 3.76Å; F551-L592 HydrophobicContact CB-CD1 3.93Å; F551-L592 HydrophobicContact CB-CD2 3.82Å; F551-L592 HydrophobicContact CG-CD2 4.06Å; M552-L592 HydrophobicContact SD-CD1 3.96Å; Q587-L592 PolarHBondContact O-N 3.33Å; Q587-L592 VanDerWaalsContact O-N 3.1Å; F588-L592 HydrophobicContact CD2-CD2 3.86Å; F588-L592 HydrophobicContact CE2-CD2 4.02Å; F588-L592 WeakPolarHBondContact O-CB 3.31Å; F588-L592 PolarHBondContact O-N 2.93Å; L592-A595 PolarHBondContact O-N 3.47Å; L592-A596 VanDerWaalsContact O-CB 3.28Å; L592-A596 WeakPolarHBondContact O-CB 3.4Å; L592-A596 PolarHBondContact O-N 3.39Å; L592-T604 HydrophobicContact CD1-CG2 4.02Å; L592-I608 HydrophobicContact CG-CD1 4.37Å
593V93.1Very high89.3Confident1 Ų142.2 Ų42.21%0.00622%0.215CC..Iπ-helixtrans-63.6-48.7-179.1179.30000111.2F588 A595 A596 T597 I608 L627F588-V593 HydrophobicContact CD1-CG2 4.46Å; F588-V593 HydrophobicContact CE1-CG2 4.19Å; F588-V593 HydrophobicContact CZ-CG2 4.26Å; F588-V593 WeakPolarHBondContact O-CG2 3.41Å; F588-V593 PolarHBondContact O-N 3.46Å; V593-A595 VanDerWaalsContact C-N 3.34Å; V593-A595 PolarHBondContact O-N 2.99Å; V593-A596 PolarHBondContact O-N 3.05Å; V593-T597 PolarHBondContact O-N 3.12Å; V593-T597 PolarHBondContact O-OG1 3.16Å; V593-I608 HydrophobicContact CB-CD1 4.39Å; V593-I608 HydrophobicContact CG1-CG2 4.34Å; V593-I608 HydrophobicContact CG2-CD1 4.07Å; V593-I608 HydrophobicContact CG2-CG1 4.25Å; V593-I608 HydrophobicContact CG2-CG2 3.75Å; V593-L627 HydrophobicContact CB-CD1 4.42Å; V593-L627 HydrophobicContact CG1-CD1 4.04Å; V593-L627 HydrophobicContact CG2-CD1 3.66Å
594V91.1Very high90.4Very high56 Ų5642.2 Ų42.234%0.33922%0.215SC..Hα-helixtrans-61.3-42.7179.3175.70000111.4S590 K598S590-V594 WeakPolarHBondContact O-CB 3.34Å; S590-V594 WeakPolarHBondContact O-CG2 2.92Å; V594-K598 VanDerWaalsContact O-CB 3.27Å; V594-K598 WeakPolarHBondContact O-CB 3.31Å; V594-K598 PolarHBondContact O-N 2.96Å
595A92.9Very high91.1Very high19 Ų1942.1 Ų42.116%0.15721%0.213CC..Hα-helixtrans-66.6-43.6177.900000111.9M555 N591 L592 V593 T597 K598 Q599M555-A595 HydrophobicContact CE-CB 3.8Å; M555-A595 HydrophobicContact SD-CB 4.14Å; N591-A595 WeakPolarHBondContact O-CB 3.24Å; N591-A595 PolarHBondContact O-N 2.72Å; L592-A595 PolarHBondContact O-N 3.47Å; V593-A595 VanDerWaalsContact C-N 3.34Å; V593-A595 PolarHBondContact O-N 2.99Å; A595-T597 PolarHBondContact O-N 3.27Å; A595-K598 PolarHBondContact O-N 3.35Å; A595-Q599 VanDerWaalsContact O-CB 3.31Å; A595-Q599 WeakPolarHBondContact O-CB 3.39Å; A595-Q599 WeakPolarHBondContact O-CG 3.13Å; A595-Q599 PolarHBondContact O-N 2.98Å
596A92.5Very high91.5Very high0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-61.5-44178.500000111.6M555 L592 V593 Q600 C601 T604 I605 I608M555-A596 HydrophobicContact SD-CB 4.1Å; L592-A596 VanDerWaalsContact O-CB 3.28Å; L592-A596 WeakPolarHBondContact O-CB 3.4Å; L592-A596 PolarHBondContact O-N 3.39Å; V593-A596 PolarHBondContact O-N 3.05Å; A596-Q600 WeakPolarHBondContact O-CA 3.2Å; A596-Q600 PolarHBondContact O-N 3.33Å; A596-C601 PolarHBondContact O-N 3.34Å; A596-T604 HydrophobicContact CB-CG2 3.76Å; A596-I605 HydrophobicContact CB-CG1 3.95Å; A596-I608 HydrophobicContact CB-CD1 3.64Å
597T90.8Very high91.9Very high17 Ų1736.6 Ų36.610%0.10419%0.189CC..Hα-helixtrans-63.1-47.3174.3-61.30000111.5V593 A595 Q599 Q600 S630 L633 A634V593-T597 PolarHBondContact O-N 3.12Å; V593-T597 PolarHBondContact O-OG1 3.16Å; A595-T597 PolarHBondContact O-N 3.27Å; T597-Q599 PolarHBondContact O-N 3.04Å; T597-Q600 PolarHBondContact O-N 3.26Å; T597-Q600 VanDerWaalsContact O-N 3.16Å; T597-S630 PolarHBondContact OG1-O 3.46Å; T597-L633 HydrophobicContact CG2-CB 4.28Å; T597-L633 HydrophobicContact CG2-CD2 4.24Å; T597-L633 HydrophobicContact CG2-CG 4.18Å; T597-A634 HydrophobicContact CG2-CB 3.91Å
598K90.3Very high92.2Very high180 Ų18033.9 Ų33.978%0.78318%0.176SC*.Hα-helixtrans-64.1-38.8-179.1-175.8178.7179.6-179.60112.7V594 A595 Q600V594-K598 VanDerWaalsContact O-CB 3.27Å; V594-K598 WeakPolarHBondContact O-CB 3.31Å; V594-K598 PolarHBondContact O-N 2.96Å; A595-K598 PolarHBondContact O-N 3.35Å; K598-Q600 VanDerWaalsContact C-N 3.28Å
599Q90.8Very high92.4Very high102 Ų10233.9 Ų33.948%0.47718%0.177SC..THydrogen-bonded Turntrans-85.9-1.7178.2-64.2-179.59.900112.8A595 T597 C601A595-Q599 VanDerWaalsContact O-CB 3.31Å; A595-Q599 WeakPolarHBondContact O-CB 3.39Å; A595-Q599 WeakPolarHBondContact O-CG 3.13Å; A595-Q599 PolarHBondContact O-N 2.98Å; T597-Q599 PolarHBondContact O-N 3.04Å; Q599-C601 VanDerWaalsContact C-N 3.26Å; Q599-C601 VanDerWaalsContact CB-SG 3.51Å; Q599-C601 PolarHBondContact O-N 2.83Å
600Q90.9Very high92.7Very high83 Ų8334 Ų3439%0.38818%0.177SC..THydrogen-bonded Turntrans52.642.3-179.7-58.4175.4-24.900112.3A596 T597 K598 L602 S637A596-Q600 WeakPolarHBondContact O-CA 3.2Å; A596-Q600 PolarHBondContact O-N 3.33Å; T597-Q600 PolarHBondContact O-N 3.26Å; T597-Q600 VanDerWaalsContact O-N 3.16Å; K598-Q600 VanDerWaalsContact C-N 3.28Å; Q600-L602 WeakPolarHBondContact O-CD1 3.41Å; Q600-L602 PolarHBondContact O-N 3.1Å; Q600-S637 PolarHBondContact NE2-OG 3Å
601C91.2Very high93Very high27 Ų2732.1 Ų32.118%0.18216%0.164CC..  trans-81.993.8-176.6-650000111.4M555 A596 Q599 N603 T604 I605M555-C601 HydrophobicContact CG-CB 4.03Å; M555-C601 WeakPolarHBondContact CG-SG 2.87Å; A596-C601 PolarHBondContact O-N 3.34Å; Q599-C601 VanDerWaalsContact C-N 3.26Å; Q599-C601 VanDerWaalsContact CB-SG 3.51Å; Q599-C601 PolarHBondContact O-N 2.83Å; C601-N603 PolarHBondContact O-N 3.04Å; C601-T604 PolarHBondContact O-N 3.23Å; C601-I605 WeakPolarHBondContact O-CB 3.29Å; C601-I605 WeakPolarHBondContact O-CG1 3.16Å; C601-I605 PolarHBondContact O-N 3.12Å
602L91.4Very high93.1Very high44 Ų4428.9 Ų28.923%0.2315%0.147CC..Hα-helixtrans-47-53.4-176.2-75.275.8000113Q600 T604 I605 H606 V639 L640 N643 V646 I958Q600-L602 WeakPolarHBondContact O-CD1 3.41Å; Q600-L602 PolarHBondContact O-N 3.1Å; L602-T604 PolarHBondContact O-N 2.89Å; L602-I605 PolarHBondContact O-N 3.06Å; L602-H606 WeakPolarHBondContact O-CB 3.42Å; L602-H606 PolarHBondContact O-N 3.17Å; L602-V639 HydrophobicContact CD1-CG1 3.95Å; L602-L640 HydrophobicContact CB-CD2 4.47Å; L602-L640 HydrophobicContact CD1-CD2 3.88Å; L602-L640 HydrophobicContact CG-CD2 3.75Å; L602-N643 HydrophobicContact CD2-CB 3.74Å; L602-V646 HydrophobicContact CB-CG2 4.19Å; L602-V646 HydrophobicContact CD2-CG2 4.45Å; L602-V646 HydrophobicContact CG-CG2 4.44Å; L602-I958 HydrophobicContact CB-CD1 3.98Å; L602-I958 HydrophobicContact CD2-CD1 4.26Å
603N91.8Very high93.2Very high41 Ų4129 Ų2922%0.21915%0.148CC..Hα-helixtrans-62.9-45.3-175.6-65.4-12.2000112F554 C601 H606 I607 I958 P959F554-N603 HydrophobicContact CE1-CB 3.99Å; F554-N603 HydrophobicContact CZ-CB 3.86Å; C601-N603 PolarHBondContact O-N 3.04Å; N603-H606 PolarHBondContact O-N 3.35Å; N603-I607 VanDerWaalsContact O-CG1 3.27Å; N603-I607 WeakPolarHBondContact O-CG1 3.3Å; N603-I607 PolarHBondContact O-N 2.72Å; N603-I607 VanDerWaalsContact O-N 3.07Å; N603-I958 WeakPolarHBondContact OD1-CD1 3.32Å; N603-P959 HydrophobicContact CB-CG 3.96Å; N603-P959 WeakPolarHBondContact OD1-CD 3.29Å
604T93.4Very high93.2Very high3 Ų329.8 Ų29.82%0.01815%0.151CC..Hα-helixtrans-67.4-40.1179.3-520000111.3M555 L592 A596 C601 L602 I607 I608M555-T604 HydrophobicContact SD-CG2 4.49Å; L592-T604 HydrophobicContact CD1-CG2 4.02Å; A596-T604 HydrophobicContact CB-CG2 3.76Å; C601-T604 PolarHBondContact O-N 3.23Å; L602-T604 PolarHBondContact O-N 2.89Å; T604-I607 PolarHBondContact O-N 3.48Å; T604-I608 HydrophobicContact CG2-CD1 4.03Å; T604-I608 WeakPolarHBondContact O-CD1 3.38Å; T604-I608 VanDerWaalsContact O-CG1 3.26Å; T604-I608 WeakPolarHBondContact O-CG1 3.35Å; T604-I608 PolarHBondContact O-N 2.98Å
605I94.7Very high93.2Very high5 Ų527.9 Ų27.93%0.02614%0.138CC..Hα-helixtrans-62.8-43.5176.1-69.9174.2000110.7A596 C601 L602 I607 I608 C609 A634 L640 V646 L650A596-I605 HydrophobicContact CB-CG1 3.95Å; C601-I605 WeakPolarHBondContact O-CB 3.29Å; C601-I605 WeakPolarHBondContact O-CG1 3.16Å; C601-I605 PolarHBondContact O-N 3.12Å; L602-I605 PolarHBondContact O-N 3.06Å; I605-I607 PolarHBondContact O-N 2.92Å; I605-I608 WeakPolarHBondContact O-CB 3.31Å; I605-I608 PolarHBondContact O-N 3.06Å; I605-C609 PolarHBondContact O-N 3.23Å; I605-C609 PolarHBondContact O-SG 3.46Å; I605-A634 HydrophobicContact CD1-CB 4.48Å; I605-L640 HydrophobicContact CD1-CD1 3.34Å; I605-L640 HydrophobicContact CD1-CD2 3.89Å; I605-L640 HydrophobicContact CD1-CG 4.28Å; I605-V646 HydrophobicContact CG2-CG1 4.28Å; I605-L650 HydrophobicContact CG2-CD2 3.74Å; I605-L650 HydrophobicContact CG2-CG 4.36Å
606H94.6Very high93Very high4 Ų427.6 Ų27.62%0.01913%0.134CC..Hα-helixtrans-59.6-47.3176.2-170.6-92.6000111.5L602 N603 I608 C609 E610 I958 P959L602-H606 WeakPolarHBondContact O-CB 3.42Å; L602-H606 PolarHBondContact O-N 3.17Å; N603-H606 PolarHBondContact O-N 3.35Å; H606-I608 VanDerWaalsContact C-N 3.33Å; H606-I608 PolarHBondContact O-N 2.92Å; H606-C609 WeakPolarHBondContact O-CB 3.45Å; H606-C609 PolarHBondContact O-N 3.05Å; H606-C609 VanDerWaalsContact O-N 3.14Å; H606-E610 IonicContact CE1-OE1 2.74Å; H606-E610 PolarHBondContact CE1-OE1 3.3Å; H606-E610 IonicContact ND1-OE1 3.95Å; H606-E610 PolarHBondContact ND1-OE1 2.92Å; H606-E610 WeakPolarHBondContact O-CG 3.48Å; H606-E610 PolarHBondContact O-N 3.4Å; H606-I958 HydrophobicContact CB-CG2 3.62Å; H606-I958 VanDerWaalsContact CD2-CG2 3.46Å; H606-I958 WeakPolarHBondContact CD2-CG2 3.49Å; H606-P959 PolarHBondContact CE1-O 3.15Å; H606-P959 PolarHBondContact ND1-O 3.41Å
607I95.4Very high92.6Very high2 Ų229 Ų291%0.0114%0.143CC..Hα-helixtrans-59.1-44.4176.2-64.6167000111.3F551 F554 P563 V568 N603 T604 I605 C609 E610 I611 P959 Y961F551-I607 HydrophobicContact CE1-CG2 3.92Å; F554-I607 HydrophobicContact CE1-CD1 3.95Å; P563-I607 HydrophobicContact CG-CD1 4.27Å; V568-I607 HydrophobicContact CG1-CG2 4.4Å; N603-I607 VanDerWaalsContact O-CG1 3.27Å; N603-I607 WeakPolarHBondContact O-CG1 3.3Å; N603-I607 PolarHBondContact O-N 2.72Å; N603-I607 VanDerWaalsContact O-N 3.07Å; T604-I607 PolarHBondContact O-N 3.48Å; I605-I607 PolarHBondContact O-N 2.92Å; I607-C609 VanDerWaalsContact C-N 3.31Å; I607-C609 PolarHBondContact O-N 3.15Å; I607-E610 PolarHBondContact O-N 3.39Å; I607-I611 HydrophobicContact CG2-CD1 3.73Å; I607-I611 HydrophobicContact CG2-CG1 4.18Å; I607-I611 WeakPolarHBondContact O-CB 3.36Å; I607-I611 VanDerWaalsContact O-CG1 3.27Å; I607-I611 WeakPolarHBondContact O-CG1 3.18Å; I607-I611 PolarHBondContact O-N 3.32Å; I607-P959 HydrophobicContact CD1-CG 3.91Å; I607-P959 HydrophobicContact CG1-CG 3.96Å; I607-Y961 HydrophobicContact CD1-CE2 3.96Å; I607-Y961 HydrophobicContact CG1-CD2 4.27Å; I607-Y961 HydrophobicContact CG1-CE2 3.71Å
608I96.1Very high92.1Very high4 Ų432.1 Ų32.12%0.02115%0.154CC..Hα-helixtrans-57.7-45.2176.2-73.6158.9000110.8F588 L592 V593 A596 T604 I605 H606 E610 I611 T612 L627F588-I608 HydrophobicContact CE2-CG1 4.4Å; F588-I608 HydrophobicContact CZ-CG1 4.48Å; F588-I608 HydrophobicContact CZ-CG2 4.36Å; L592-I608 HydrophobicContact CG-CD1 4.37Å; V593-I608 HydrophobicContact CB-CD1 4.39Å; V593-I608 HydrophobicContact CG1-CG2 4.34Å; V593-I608 HydrophobicContact CG2-CD1 4.07Å; V593-I608 HydrophobicContact CG2-CG1 4.25Å; V593-I608 HydrophobicContact CG2-CG2 3.75Å; A596-I608 HydrophobicContact CB-CD1 3.64Å; T604-I608 HydrophobicContact CG2-CD1 4.03Å; T604-I608 WeakPolarHBondContact O-CD1 3.38Å; T604-I608 VanDerWaalsContact O-CG1 3.26Å; T604-I608 WeakPolarHBondContact O-CG1 3.35Å; T604-I608 PolarHBondContact O-N 2.98Å; I605-I608 WeakPolarHBondContact O-CB 3.31Å; I605-I608 PolarHBondContact O-N 3.06Å; H606-I608 VanDerWaalsContact C-N 3.33Å; H606-I608 PolarHBondContact O-N 2.92Å; I608-E610 VanDerWaalsContact C-N 3.34Å; I608-E610 PolarHBondContact O-N 3.11Å; I608-I611 PolarHBondContact O-N 2.87Å; I608-T612 VanDerWaalsContact O-CB 3.27Å; I608-T612 WeakPolarHBondContact O-CB 3.42Å; I608-T612 PolarHBondContact O-N 3.23Å; I608-T612 PolarHBondContact O-OG1 3.1Å; I608-L627 HydrophobicContact CG2-CD1 4.22Å
609C96.7Very high91.8Very high1 Ų124.3 Ų24.31%0.00712%0.121CC..Hα-helixtrans-62.9-40178.1-76.30000112.2I605 H606 I607 T612 S613 M649 T653I605-C609 PolarHBondContact O-N 3.23Å; I605-C609 PolarHBondContact O-SG 3.46Å; H606-C609 WeakPolarHBondContact O-CB 3.45Å; H606-C609 PolarHBondContact O-N 3.05Å; H606-C609 VanDerWaalsContact O-N 3.14Å; I607-C609 VanDerWaalsContact C-N 3.31Å; I607-C609 PolarHBondContact O-N 3.15Å; C609-T612 PolarHBondContact O-N 3Å; C609-S613 WeakPolarHBondContact O-CB 3.39Å; C609-S613 PolarHBondContact O-N 2.95Å; C609-S613 PolarHBondContact O-OG 3.05Å; C609-M649 VanDerWaalsContact C-CE 3.43Å; C609-M649 HydrophobicContact CB-CE 3.8Å; C609-M649 HydrophobicContact CB-CG 3.61Å; C609-M649 WeakPolarHBondContact O-CE 3.41Å; C609-T653 HydrophobicContact CB-CG2 4.49Å; C609-T653 WeakPolarHBondContact CB-OG1 3.26Å
610E95.9Very high91.5Very high1 Ų122.2 Ų22.21%0.00512%0.116CC..Hα-helixtrans-66.3-47.1176.2-70.8-158.3-99.100112.3H606 I607 I608 T612 S613 Y614 M649 V960 Y961 Y962 S963H606-E610 IonicContact CE1-OE1 2.74Å; H606-E610 PolarHBondContact CE1-OE1 3.3Å; H606-E610 IonicContact ND1-OE1 3.95Å; H606-E610 PolarHBondContact ND1-OE1 2.92Å; H606-E610 WeakPolarHBondContact O-CG 3.48Å; H606-E610 PolarHBondContact O-N 3.4Å; I607-E610 PolarHBondContact O-N 3.39Å; I608-E610 VanDerWaalsContact C-N 3.34Å; I608-E610 PolarHBondContact O-N 3.11Å; E610-T612 VanDerWaalsContact C-N 3.3Å; E610-T612 PolarHBondContact O-N 3.48Å; E610-S613 PolarHBondContact O-N 2.81Å; E610-Y614 HydrophobicContact CB-CD2 4.16Å; E610-Y614 HydrophobicContact CB-CE2 4.38Å; E610-Y614 HydrophobicContact CG-CD2 4.49Å; E610-Y614 HydrophobicContact CG-CE2 4.25Å; E610-Y614 WeakPolarHBondContact O-CD2 3.47Å; E610-Y614 PolarHBondContact O-N 3.2Å; E610-M649 HydrophobicContact CB-CE 4.38Å; E610-M649 HydrophobicContact CG-CE 3.83Å; E610-V960 VanDerWaalsContact OE1-CA 3.24Å; E610-V960 WeakPolarHBondContact OE1-CA 3.46Å; E610-Y961 PolarHBondContact OE1-N 3.16Å; E610-Y961 PolarHBondContact OE2-N 3.1Å; E610-Y961 VanDerWaalsContact OE2-N 3.16Å; E610-Y962 HydrophobicContact CB-CD2 4.02Å; E610-Y962 WeakPolarHBondContact OE2-CA 3.3Å; E610-Y962 PolarHBondContact OE2-N 3.09Å; E610-S963 PolarHBondContact OE2-N 3.32Å
611I95.5Very high91.2Very high2 Ų219.7 Ų19.71%0.0111%0.106CC..Hα-helixtrans-56.8-48175-69.1175.1000110F551 V568 F588 I607 I608 S613 R615 L616F551-I611 HydrophobicContact CZ-CD1 4.39Å; V568-I611 HydrophobicContact CG1-CD1 4.1Å; V568-I611 HydrophobicContact CG1-CG1 4.07Å; F588-I611 HydrophobicContact CE2-CD1 4.4Å; F588-I611 HydrophobicContact CE2-CG2 4.41Å; F588-I611 HydrophobicContact CZ-CB 4.5Å; F588-I611 HydrophobicContact CZ-CG2 3.93Å; I607-I611 HydrophobicContact CG2-CD1 3.73Å; I607-I611 HydrophobicContact CG2-CG1 4.18Å; I607-I611 WeakPolarHBondContact O-CB 3.36Å; I607-I611 VanDerWaalsContact O-CG1 3.27Å; I607-I611 WeakPolarHBondContact O-CG1 3.18Å; I607-I611 PolarHBondContact O-N 3.32Å; I608-I611 PolarHBondContact O-N 2.87Å; I611-S613 PolarHBondContact O-N 3.07Å; I611-R615 PolarHBondContact O-N 3.13Å; I611-L616 HydrophobicContact CG2-CD1 3.53Å; I611-L616 HydrophobicContact CG2-CG 3.69Å; I611-L616 PolarHBondContact O-N 3.29Å
612T93.8Very high90.9Very high12 Ų1222.6 Ų22.67%0.07412%0.12CC..Hα-helixtrans-61.7-43.5179.8-57.60000111.8I608 C609 E610 L627 I631 T653I608-T612 VanDerWaalsContact O-CB 3.27Å; I608-T612 WeakPolarHBondContact O-CB 3.42Å; I608-T612 PolarHBondContact O-N 3.23Å; I608-T612 PolarHBondContact O-OG1 3.1Å; C609-T612 PolarHBondContact O-N 3Å; E610-T612 VanDerWaalsContact C-N 3.3Å; E610-T612 PolarHBondContact O-N 3.48Å; T612-L627 HydrophobicContact CG2-CD2 3.4Å; T612-L627 VanDerWaalsContact CG2-CD2 3.4Å; T612-L627 HydrophobicContact CG2-CG 4.19Å; T612-I631 HydrophobicContact CG2-CD1 4.44Å; T612-T653 HydrophobicContact CG2-CG2 3.81Å
613S94.2Very high90.8Very high5 Ų521.6 Ų21.64%0.03511%0.113CC..Hα-helixtrans-79.7-31.9-172.3-66.40000114.2C609 E610 I611 T653 R656C609-S613 WeakPolarHBondContact O-CB 3.39Å; C609-S613 PolarHBondContact O-N 2.95Å; C609-S613 PolarHBondContact O-OG 3.05Å; E610-S613 PolarHBondContact O-N 2.81Å; I611-S613 PolarHBondContact O-N 3.07Å; S613-T653 WeakPolarHBondContact OG-CG2 3.23Å; S613-T653 PolarHBondContact OG-OG1 3.32Å; S613-T653 VanDerWaalsContact OG-OG1 3.13Å; S613-R656 WeakPolarHBondContact O-CD 3.37Å
614Y93.8Very high90.7Very high17 Ų1721 Ų217%0.06711%0.108CC..Hα-helixtrans-123.7-12.1-166.3-50.3-60.3000114.9E610 M649 Y962 S963 L967 R968E610-Y614 HydrophobicContact CB-CD2 4.16Å; E610-Y614 HydrophobicContact CB-CE2 4.38Å; E610-Y614 HydrophobicContact CG-CD2 4.49Å; E610-Y614 HydrophobicContact CG-CE2 4.25Å; E610-Y614 WeakPolarHBondContact O-CD2 3.47Å; E610-Y614 PolarHBondContact O-N 3.2Å; Y614-M649 HydrophobicContact CE2-CE 3.64Å; Y614-Y962 HydrophobicContact CD2-CD2 4.36Å; Y614-S963 PolarHBondContact OH-OG 2.83Å; Y614-L967 HydrophobicContact CD1-CB 4.28Å; Y614-L967 HydrophobicContact CD1-CD1 4.05Å; Y614-L967 HydrophobicContact CE1-CB 3.7Å; Y614-L967 HydrophobicContact CE1-CD1 4.16Å; Y614-R968 VanDerWaalsContact OH-CG 3.24Å; Y614-R968 WeakPolarHBondContact OH-CG 3.32Å
615R91.7Very high90.5Very high16 Ų1620.9 Ų20.96%0.0611%0.107CC..THydrogen-bonded Turntrans-124.8-26.5-178.8-63.3-63.7179.4-104.3-0.5114.1E569 C572 I611 N917 Y962E569-R615 IonicContact OE1-NE 2.67Å; E569-R615 IonicContact OE2-CZ 3.06Å; E569-R615 IonicContact OE2-NE 3.17Å; E569-R615 PolarHBondContact OE2-NE 3.02Å; E569-R615 IonicContact OE2-NH2 2.77Å; C572-R615 HydrophobicContact CB-CB 3.81Å; C572-R615 HydrophobicContact CB-CG 4.04Å; I611-R615 PolarHBondContact O-N 3.13Å; R615-N917 WeakPolarHBondContact CD-OD1 3.16Å; R615-N917 PolarHBondContact NH1-OD1 2.85Å; R615-N917 VanDerWaalsContact NH1-OD1 3.12Å; R615-Y962 HydrophobicContact CG-CD2 4.2Å; R615-Y962 HydrophobicContact CG-CE2 3.7Å
616L88.6Confident90.3Very high14 Ų1423.6 Ų23.67%0.07312%0.12CC..  trans-110.254.2-175.4-61.4-172.2000113.9L575 F588 I611 Y618 V619L575-L616 HydrophobicContact CB-CD2 3.8Å; L575-L616 HydrophobicContact CD1-CD1 4.33Å; F588-L616 HydrophobicContact CD1-CD1 4.37Å; F588-L616 HydrophobicContact CE1-CD1 3.85Å; F588-L616 HydrophobicContact CZ-CD1 4.33Å; I611-L616 HydrophobicContact CG2-CD1 3.53Å; I611-L616 HydrophobicContact CG2-CG 3.69Å; I611-L616 PolarHBondContact O-N 3.29Å; L616-Y618 VanDerWaalsContact C-N 3.31Å; L616-Y618 PolarHBondContact O-N 3.24Å; L616-V619 HydrophobicContact CB-CG2 3.69Å; L616-V619 HydrophobicContact CD1-CG2 4.38Å; L616-V619 WeakPolarHBondContact O-CG2 3.09Å
617S83.1Confident90.1Very high29 Ų2923.6 Ų23.620%0.20312%0.12CC..THydrogen-bonded Turntrans-65.4-31.1178.9-54.80000113.6
618Y79.8Confident90Very high83 Ų8323.5 Ų23.533%0.32512%0.119SC..THydrogen-bonded Turntrans-110.851.8-170.3-56.3-80.1000112.8L616 P1006 F1007 R1109 F1110 C1111 E1112L616-Y618 VanDerWaalsContact C-N 3.31Å; L616-Y618 PolarHBondContact O-N 3.24Å; Y618-P1006 PolarHBondContact OH-O 3.12Å; Y618-F1007 HydrophobicContact CD1-CE1 4.18Å; Y618-F1007 HydrophobicContact CE1-CD1 4.33Å; Y618-F1007 AromaticContact CE1-CE1 3.55Å; Y618-F1007 HydrophobicContact CE1-CE1 3.55Å; Y618-F1007 HydrophobicContact CE1-CZ 4.45Å; Y618-F1007 AromaticContact CZ-CE1 3.98Å; Y618-R1109 WeakPolarHBondContact CD2-O 3.5Å; Y618-F1110 VanDerWaalsContact CE2-C 3.48Å; Y618-F1110 HydrophobicContact CE2-CB 4.49Å; Y618-F1110 WeakPolarHBondContact CE2-O 3.48Å; Y618-F1110 PolarHBondContact OH-O 3.45Å; Y618-C1111 WeakPolarHBondContact CE1-O 3.35Å; Y618-C1111 PolarHBondContact OH-O 2.69Å; Y618-E1112 VanDerWaalsContact OH-CA 3.23Å; Y618-E1112 WeakPolarHBondContact OH-CA 3.31Å; Y618-E1112 PolarHBondContact OH-N 2.85Å; Y618-E1112 VanDerWaalsContact OH-N 3.07Å
619V83.7Confident89.8Confident16 Ų1624.1 Ų24.110%0.09712%0.123CC..  trans-86.7134.9177176.80000110.4L585 L616 V621 R624L585-V619 HydrophobicContact CD1-CG1 4.38Å; L585-V619 HydrophobicContact CD2-CG1 4Å; L616-V619 HydrophobicContact CB-CG2 3.69Å; L616-V619 HydrophobicContact CD1-CG2 4.38Å; L616-V619 WeakPolarHBondContact O-CG2 3.09Å; V619-V621 PolarHBondContact O-N 2.92Å; V619-R624 HydrophobicContact CB-CB 4.37Å; V619-R624 HydrophobicContact CG1-CB 4.14Å
620P84.9Confident89.5Confident58 Ų5824.6 Ų24.638%0.37713%0.127SC..  trans-53.9139.7174.4-24.932.3000112.5L585 L622 Y623 R624L585-P620 HydrophobicContact CD2-CG 4.44Å; P620-L622 VanDerWaalsContact C-N 3.27Å; P620-L622 PolarHBondContact O-N 3.36Å; P620-L622 VanDerWaalsContact O-N 3.1Å; P620-Y623 HydrophobicContact CB-CD2 4.14Å; P620-Y623 HydrophobicContact CG-CD2 4.33Å; P620-Y623 PolarHBondContact O-N 2.88Å; P620-R624 PolarHBondContact O-N 2.83Å
621V85.3Confident89.3Confident29 Ų2924.7 Ų24.718%0.17613%0.127CC..Hα-helixtrans-50.8-42.2-170174.40000113.3V619 Y623 R624 V625 F661 E665V619-V621 PolarHBondContact O-N 2.92Å; V621-Y623 PolarHBondContact O-N 3.44Å; V621-R624 PolarHBondContact O-N 3.05Å; V621-V625 HydrophobicContact CG1-CG2 4.48Å; V621-V625 WeakPolarHBondContact O-CB 3.36Å; V621-V625 WeakPolarHBondContact O-CG2 3.3Å; V621-V625 PolarHBondContact O-N 3.1Å; V621-F661 HydrophobicContact CG1-CE1 4.4Å; V621-F661 HydrophobicContact CG1-CZ 3.9Å; V621-E665 HydrophobicContact CG2-CB 4.24Å; V621-E665 HydrophobicContact CG2-CG 3.76Å
622L85.1Confident89Confident89 Ų8925.4 Ų25.447%0.46613%0.131SC..Hα-helixtrans-57.5-48.3178.3176.764.2000112.4P620 H626 T670P620-L622 VanDerWaalsContact C-N 3.27Å; P620-L622 PolarHBondContact O-N 3.36Å; P620-L622 VanDerWaalsContact O-N 3.1Å; L622-H626 PolarHBondContact O-N 3.28Å; L622-T670 HydrophobicContact CD1-CG2 4.46Å
623Y88.2Confident88.8Confident23 Ų2328.9 Ų28.99%0.0915%0.148CC..Hα-helixtrans-73.5-38-178.9-68.8-63.5000111.2E581 L585 K586 P620 V621 H626 L627E581-Y623 HydrophobicContact CB-CE2 4.49Å; E581-Y623 HydrophobicContact CG-CE2 4.5Å; E581-Y623 PolarHBondContact OE1-OH 3.44Å; L585-Y623 HydrophobicContact CD2-CD2 3.65Å; L585-Y623 HydrophobicContact CD2-CE2 4.38Å; L585-Y623 HydrophobicContact CD2-CG 3.86Å; L585-Y623 HydrophobicContact CG-CD2 4.36Å; L585-Y623 HydrophobicContact CG-CG 4.21Å; K586-Y623 HydrophobicContact CB-CE1 3.98Å; K586-Y623 HydrophobicContact CG-CE1 4.24Å; P620-Y623 HydrophobicContact CB-CD2 4.14Å; P620-Y623 HydrophobicContact CG-CD2 4.33Å; P620-Y623 PolarHBondContact O-N 2.88Å; V621-Y623 PolarHBondContact O-N 3.44Å; Y623-H626 PolarHBondContact O-N 3.27Å; Y623-L627 WeakPolarHBondContact O-CB 3.21Å; Y623-L627 PolarHBondContact O-N 3.16Å
624R89.6Confident88.6Confident28 Ų2828.7 Ų28.711%0.10615%0.147CC..Hα-helixtrans-58.9-46.6173.9-170.3173.8179.4174.8-6.4111.2V619 P620 V621 H626 L627 L628 S657 W660 F661V619-R624 HydrophobicContact CB-CB 4.37Å; V619-R624 HydrophobicContact CG1-CB 4.14Å; P620-R624 PolarHBondContact O-N 2.83Å; V621-R624 PolarHBondContact O-N 3.05Å; R624-H626 PolarHBondContact O-N 2.9Å; R624-L627 WeakPolarHBondContact O-CB 3.43Å; R624-L627 PolarHBondContact O-N 3.13Å; R624-L628 HydrophobicContact CG-CD1 4.31Å; R624-L628 VanDerWaalsContact O-CG 3.25Å; R624-L628 WeakPolarHBondContact O-CG 3.45Å; R624-L628 PolarHBondContact O-N 3Å; R624-S657 PolarHBondContact NH2-O 3.45Å; R624-W660 PolarHBondContact NH2-O 2.99Å; R624-F661 HydrophobicContact CG-CE2 4.44Å
625V90.6Very high88.3Confident0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-60.8-45.7175.3163.60000111.8V621 L627 L628 C629 F661 T670 L674V621-V625 HydrophobicContact CG1-CG2 4.48Å; V621-V625 WeakPolarHBondContact O-CB 3.36Å; V621-V625 WeakPolarHBondContact O-CG2 3.3Å; V621-V625 PolarHBondContact O-N 3.1Å; V625-L627 VanDerWaalsContact C-N 3.33Å; V625-L627 PolarHBondContact O-N 3.27Å; V625-L628 PolarHBondContact O-N 2.9Å; V625-C629 PolarHBondContact O-N 3.05Å; V625-C629 PolarHBondContact O-SG 3.34Å; V625-F661 HydrophobicContact CG2-CE2 4.35Å; V625-F661 HydrophobicContact CG2-CZ 4.17Å; V625-T670 WeakPolarHBondContact CG1-O 3.17Å; V625-L674 HydrophobicContact CG1-CB 4.08Å; V625-L674 HydrophobicContact CG2-CB 4.4Å
626H89.7Confident88Confident63 Ų6330.7 Ų30.729%0.29216%0.163SC..Hα-helixtrans-64.9-38.2-178.5-173.1-103.8000112.4V589 L622 Y623 R624 S630V589-H626 HydrophobicContact CG1-CB 3.99Å; V589-H626 WeakPolarHBondContact CG1-ND1 3.21Å; L622-H626 PolarHBondContact O-N 3.28Å; Y623-H626 PolarHBondContact O-N 3.27Å; R624-H626 PolarHBondContact O-N 2.9Å; H626-S630 PolarHBondContact O-N 2.75Å; H626-S630 VanDerWaalsContact O-N 3.15Å; H626-S630 PolarHBondContact O-OG 3.19Å
627L91.5Very high88Confident4 Ų430.5 Ų30.52%0.02116%0.163CC..Hα-helixtrans-58.6-50.3171.5-179.764.2000111.1F588 V589 V593 I608 T612 Y623 R624 V625 C629 S630 I631F588-L627 HydrophobicContact CE1-CD1 4.28Å; V589-L627 HydrophobicContact CG1-CB 3.98Å; V593-L627 HydrophobicContact CB-CD1 4.42Å; V593-L627 HydrophobicContact CG1-CD1 4.04Å; V593-L627 HydrophobicContact CG2-CD1 3.66Å; I608-L627 HydrophobicContact CG2-CD1 4.22Å; T612-L627 HydrophobicContact CG2-CD2 3.4Å; T612-L627 VanDerWaalsContact CG2-CD2 3.4Å; T612-L627 HydrophobicContact CG2-CG 4.19Å; Y623-L627 WeakPolarHBondContact O-CB 3.21Å; Y623-L627 PolarHBondContact O-N 3.16Å; R624-L627 WeakPolarHBondContact O-CB 3.43Å; R624-L627 PolarHBondContact O-N 3.13Å; V625-L627 VanDerWaalsContact C-N 3.33Å; V625-L627 PolarHBondContact O-N 3.27Å; L627-C629 PolarHBondContact O-N 2.75Å; L627-S630 WeakPolarHBondContact O-CB 3.21Å; L627-S630 PolarHBondContact O-N 3.22Å; L627-S630 VanDerWaalsContact O-N 3.13Å; L627-I631 HydrophobicContact CD1-CD1 4.17Å; L627-I631 HydrophobicContact CG-CD1 4.02Å; L627-I631 WeakPolarHBondContact O-CG1 3.35Å; L627-I631 PolarHBondContact O-N 3.29Å
628L92.3Very high88.2Confident0 Ų032.6 Ų32.60%018%0.182CC..Hα-helixtrans-66.1-37.8-179.4-64.6173.9000113.1R624 V625 S630 I631 Q632 L654 L674R624-L628 HydrophobicContact CG-CD1 4.31Å; R624-L628 VanDerWaalsContact O-CG 3.25Å; R624-L628 WeakPolarHBondContact O-CG 3.45Å; R624-L628 PolarHBondContact O-N 3Å; V625-L628 PolarHBondContact O-N 2.9Å; L628-S630 VanDerWaalsContact C-N 3.26Å; L628-S630 PolarHBondContact O-N 2.89Å; L628-I631 PolarHBondContact O-N 2.99Å; L628-Q632 VanDerWaalsContact O-CB 3.32Å; L628-Q632 WeakPolarHBondContact O-CB 3.26Å; L628-Q632 PolarHBondContact O-N 3.25Å; L628-L654 HydrophobicContact CB-CD2 4.42Å; L628-L654 HydrophobicContact CD2-CD2 4.1Å; L628-L674 HydrophobicContact CB-CD1 3.67Å; L628-L674 HydrophobicContact CB-CD2 4.34Å; L628-L674 HydrophobicContact CD1-CD2 3.8Å
629C91.3Very high88.5Confident16 Ų1632 Ų3211%0.10819%0.187CC..Hα-helixtrans-60.2-38.7172.4-68.60000111.7V625 L627 L633V625-C629 PolarHBondContact O-N 3.05Å; V625-C629 PolarHBondContact O-SG 3.34Å; L627-C629 PolarHBondContact O-N 2.75Å; C629-L633 WeakPolarHBondContact O-CB 3.37Å; C629-L633 PolarHBondContact O-N 3.3Å
630S90.6Very high88.7Confident11 Ų1131.3 Ų31.38%0.07718%0.183CC..Hα-helixtrans-73-36.6179.6-55.40000112.5T597 H626 L627 L628 L633 A634T597-S630 PolarHBondContact OG1-O 3.46Å; H626-S630 PolarHBondContact O-N 2.75Å; H626-S630 VanDerWaalsContact O-N 3.15Å; H626-S630 PolarHBondContact O-OG 3.19Å; L627-S630 WeakPolarHBondContact O-CB 3.21Å; L627-S630 PolarHBondContact O-N 3.22Å; L627-S630 VanDerWaalsContact O-N 3.13Å; L628-S630 VanDerWaalsContact C-N 3.26Å; L628-S630 PolarHBondContact O-N 2.89Å; S630-L633 PolarHBondContact O-N 3.41Å; S630-A634 PolarHBondContact O-N 3.47Å
631I91.7Very high88.8Confident4 Ų430.5 Ų30.52%0.02117%0.174CC..Hα-helixtrans-67.4-42.3173.3-68.1172.8000110.2T612 L627 L628 L633 A634 T635 L650 T653 L654T612-I631 HydrophobicContact CG2-CD1 4.44Å; L627-I631 HydrophobicContact CD1-CD1 4.17Å; L627-I631 HydrophobicContact CG-CD1 4.02Å; L627-I631 WeakPolarHBondContact O-CG1 3.35Å; L627-I631 PolarHBondContact O-N 3.29Å; L628-I631 PolarHBondContact O-N 2.99Å; I631-L633 VanDerWaalsContact C-N 3.3Å; I631-L633 PolarHBondContact O-N 2.8Å; I631-A634 WeakPolarHBondContact O-CA 3.42Å; I631-A634 VanDerWaalsContact O-CB 3.31Å; I631-A634 WeakPolarHBondContact O-CB 3.29Å; I631-A634 PolarHBondContact O-N 2.8Å; I631-A634 VanDerWaalsContact O-N 3.08Å; I631-T635 PolarHBondContact O-N 3.05Å; I631-T635 VanDerWaalsContact O-N 3.13Å; I631-L650 HydrophobicContact CG2-CD2 3.71Å; I631-T653 HydrophobicContact CD1-CG2 3.77Å; I631-L654 HydrophobicContact CB-CD2 4.18Å; I631-L654 HydrophobicContact CG2-CD1 4.13Å; I631-L654 HydrophobicContact CG2-CD2 3.8Å; I631-L654 HydrophobicContact CG2-CG 3.66Å
632Q90.6Very high89Confident16 Ų1634 Ų348%0.07519%0.188CC..Hα-helixtrans-64.4-34.3174178.961.516.400112.1L628 A634 T635 L654 L678L628-Q632 VanDerWaalsContact O-CB 3.32Å; L628-Q632 WeakPolarHBondContact O-CB 3.26Å; L628-Q632 PolarHBondContact O-N 3.25Å; Q632-A634 VanDerWaalsContact C-N 3.31Å; Q632-T635 PolarHBondContact O-N 3.36Å; Q632-T635 PolarHBondContact O-OG1 2.99Å; Q632-L654 HydrophobicContact CB-CD2 4.26Å; Q632-L678 HydrophobicContact CB-CD2 4.18Å; Q632-L678 HydrophobicContact CG-CD2 3.68Å
633L88.9Confident89.2Confident86 Ų8631.6 Ų31.645%0.4518%0.176SC..Hα-helixtrans-65.9-38.4172.1-175.963000110.8T597 C629 S630 I631 T635 T636T597-L633 HydrophobicContact CG2-CB 4.28Å; T597-L633 HydrophobicContact CG2-CD2 4.24Å; T597-L633 HydrophobicContact CG2-CG 4.18Å; C629-L633 WeakPolarHBondContact O-CB 3.37Å; C629-L633 PolarHBondContact O-N 3.3Å; S630-L633 PolarHBondContact O-N 3.41Å; I631-L633 VanDerWaalsContact C-N 3.3Å; I631-L633 PolarHBondContact O-N 2.8Å; L633-T635 VanDerWaalsContact C-N 3.3Å; L633-T635 PolarHBondContact O-N 3.4Å; L633-T636 PolarHBondContact O-N 2.98Å; L633-T636 VanDerWaalsContact O-N 3.14Å; L633-T636 PolarHBondContact O-OG1 2.92Å
634A90.4Very high89.4Confident1 Ų131.1 Ų31.11%0.00818%0.177CC..Hα-helixtrans-62.2-33.4177.200000112.9T597 I605 S630 I631 Q632 T636 S637 L640 L650T597-A634 HydrophobicContact CG2-CB 3.91Å; I605-A634 HydrophobicContact CD1-CB 4.48Å; S630-A634 PolarHBondContact O-N 3.47Å; I631-A634 WeakPolarHBondContact O-CA 3.42Å; I631-A634 VanDerWaalsContact O-CB 3.31Å; I631-A634 WeakPolarHBondContact O-CB 3.29Å; I631-A634 PolarHBondContact O-N 2.8Å; I631-A634 VanDerWaalsContact O-N 3.08Å; Q632-A634 VanDerWaalsContact C-N 3.31Å; A634-T636 PolarHBondContact O-N 3.12Å; A634-T636 VanDerWaalsContact O-N 3.15Å; A634-S637 WeakPolarHBondContact O-CB 3.34Å; A634-S637 PolarHBondContact O-N 3.45Å; A634-S637 VanDerWaalsContact O-N 3.11Å; A634-L640 HydrophobicContact CB-CD1 3.78Å; A634-L640 WeakPolarHBondContact O-CD1 3.34Å; A634-L650 HydrophobicContact CB-CD1 4.29Å; A634-L650 HydrophobicContact CB-CD2 3.93Å
635T87.5Confident89.5Confident13 Ų1332 Ų328%0.0819%0.185CC..THydrogen-bonded Turntrans-65-17.3176.960.70000113.4I631 Q632 L633 Q641 L650 L654I631-T635 PolarHBondContact O-N 3.05Å; I631-T635 VanDerWaalsContact O-N 3.13Å; Q632-T635 PolarHBondContact O-N 3.36Å; Q632-T635 PolarHBondContact O-OG1 2.99Å; L633-T635 VanDerWaalsContact C-N 3.3Å; L633-T635 PolarHBondContact O-N 3.4Å; T635-Q641 WeakPolarHBondContact O-CG 3.35Å; T635-Q641 PolarHBondContact O-NE2 3.5Å; T635-L650 HydrophobicContact CG2-CB 3.77Å; T635-L650 HydrophobicContact CG2-CD1 4.23Å; T635-L650 HydrophobicContact CG2-CG 4.47Å; T635-L654 HydrophobicContact CG2-CD1 3.78Å
636T85.1Confident89.6Confident61 Ų6132.1 Ų32.137%0.37419%0.185SC..THydrogen-bonded Turntrans-85.3-10.6176.569.90000113.9L633 A634 A638 N681L633-T636 PolarHBondContact O-N 2.98Å; L633-T636 VanDerWaalsContact O-N 3.14Å; L633-T636 PolarHBondContact O-OG1 2.92Å; A634-T636 PolarHBondContact O-N 3.12Å; A634-T636 VanDerWaalsContact O-N 3.15Å; T636-A638 PolarHBondContact O-N 3.07Å; T636-N681 HydrophobicContact CG2-CB 4.16Å
637S88Confident89.8Confident11 Ų1129.5 Ų29.58%0.07717%0.173CC..  trans-73.9119.9-178.6173.60000111.6Q600 A634 V639 L640 Q641Q600-S637 PolarHBondContact NE2-OG 3Å; A634-S637 WeakPolarHBondContact O-CB 3.34Å; A634-S637 PolarHBondContact O-N 3.45Å; A634-S637 VanDerWaalsContact O-N 3.11Å; S637-V639 PolarHBondContact O-N 3.26Å; S637-L640 PolarHBondContact O-N 2.92Å; S637-L640 VanDerWaalsContact O-N 3.08Å; S637-Q641 WeakPolarHBondContact O-CB 3.37Å; S637-Q641 VanDerWaalsContact O-CG 3.28Å; S637-Q641 WeakPolarHBondContact O-CG 3.17Å; S637-Q641 PolarHBondContact O-N 3.33Å
638A86.7Confident89.8Confident72 Ų7231 Ų3160%0.59518%0.179SC*.Hα-helixtrans-55.3-38.6176.600000112.9T636 L640 Q641 Q642T636-A638 PolarHBondContact O-N 3.07Å; A638-L640 PolarHBondContact O-N 3Å; A638-Q641 PolarHBondContact O-N 3.44Å; A638-Q642 PolarHBondContact O-N 3.4Å; A638-Q642 VanDerWaalsContact O-N 3.16Å
639V87.7Confident90Very high72 Ų7231.2 Ų31.244%0.43618%0.18SC..Hα-helixtrans-64-41.5178.4176.70000111.4L602 S637L602-V639 HydrophobicContact CD1-CG1 3.95Å; S637-V639 PolarHBondContact O-N 3.26Å
640L88Confident90.1Very high1 Ų130.5 Ų30.51%0.00518%0.175CC..Hα-helixtrans-77-34.5-179.7-58.5177.7000111.4L602 I605 A634 S637 A638 Q642 N643 V646 L650L602-L640 HydrophobicContact CB-CD2 4.47Å; L602-L640 HydrophobicContact CD1-CD2 3.88Å; L602-L640 HydrophobicContact CG-CD2 3.75Å; I605-L640 HydrophobicContact CD1-CD1 3.34Å; I605-L640 HydrophobicContact CD1-CD2 3.89Å; I605-L640 HydrophobicContact CD1-CG 4.28Å; A634-L640 HydrophobicContact CB-CD1 3.78Å; A634-L640 WeakPolarHBondContact O-CD1 3.34Å; S637-L640 PolarHBondContact O-N 2.92Å; S637-L640 VanDerWaalsContact O-N 3.08Å; A638-L640 PolarHBondContact O-N 3Å; L640-Q642 PolarHBondContact O-N 2.93Å; L640-N643 PolarHBondContact O-N 3.37Å; L640-V646 HydrophobicContact CD2-CG1 4.35Å; L640-L650 HydrophobicContact CB-CD1 4.45Å
641Q85.9Confident90.2Very high40 Ų4030.6 Ų30.619%0.18717%0.174CC..Hα-helixtrans-63.4-25.8174.8-74.4174.8-1.600112.8T635 S637 A638 N643 Y647 P825 R826T635-Q641 WeakPolarHBondContact O-CG 3.35Å; T635-Q641 PolarHBondContact O-NE2 3.5Å; S637-Q641 WeakPolarHBondContact O-CB 3.37Å; S637-Q641 VanDerWaalsContact O-CG 3.28Å; S637-Q641 WeakPolarHBondContact O-CG 3.17Å; S637-Q641 PolarHBondContact O-N 3.33Å; A638-Q641 PolarHBondContact O-N 3.44Å; Q641-N643 VanDerWaalsContact C-N 3.34Å; Q641-Y647 HydrophobicContact CB-CD2 4.42Å; Q641-Y647 HydrophobicContact CG-CD2 4.02Å; Q641-Y647 HydrophobicContact CG-CE2 3.99Å; Q641-P825 WeakPolarHBondContact O-CD 3.41Å; Q641-P825 WeakPolarHBondContact O-CG 3.47Å; Q641-R826 VanDerWaalsContact NE2-NH1 3.15Å
642Q88.6Confident90.3Very high104 Ų10430.9 Ų30.949%0.48618%0.175SC..Hα-helixtrans-72.6-27.8176.6-162.264.431.500112.5A638 L640 A644 E821A638-Q642 PolarHBondContact O-N 3.4Å; A638-Q642 VanDerWaalsContact O-N 3.16Å; L640-Q642 PolarHBondContact O-N 2.93Å; Q642-A644 PolarHBondContact O-N 3.15Å; Q642-E821 PolarHBondContact NE2-O 3.2Å
643N90.9Very high90.6Very high38 Ų3830.1 Ų30.120%0.20317%0.172CC..  trans-91.4105.4-179.2-171.2-63.5000110.9L602 L640 Q641 V645 V646 Y647L602-N643 HydrophobicContact CD2-CB 3.74Å; L640-N643 PolarHBondContact O-N 3.37Å; Q641-N643 VanDerWaalsContact C-N 3.34Å; N643-V645 VanDerWaalsContact C-N 3.34Å; N643-V645 PolarHBondContact O-N 3.01Å; N643-V645 PolarHBondContact OD1-N 3.25Å; N643-V646 HydrophobicContact CB-CB 4.25Å; N643-V646 HydrophobicContact CB-CG2 4.31Å; N643-V646 PolarHBondContact O-N 3.35Å; N643-V646 PolarHBondContact OD1-N 3Å; N643-V646 VanDerWaalsContact OD1-N 3.08Å; N643-Y647 WeakPolarHBondContact O-CB 3.29Å; N643-Y647 PolarHBondContact O-N 3.49Å
644A91.6Very high90.9Very high13 Ų1326 Ų2611%0.10715%0.15CC..Hα-helixtrans-54.3-45.8-177.600000113.3Q642 V646 Y647 W648 P825 W938Q642-A644 PolarHBondContact O-N 3.15Å; A644-V646 PolarHBondContact O-N 3.22Å; A644-Y647 PolarHBondContact O-N 3.2Å; A644-W648 WeakPolarHBondContact O-CB 3.25Å; A644-W648 PolarHBondContact O-N 3.07Å; A644-W648 PolarHBondContact O-NE1 3.48Å; A644-P825 HydrophobicContact CB-CB 4.39Å; A644-P825 HydrophobicContact CB-CG 4.47Å; A644-W938 HydrophobicContact CB-CE3 4.14Å; A644-W938 HydrophobicContact CB-CH2 3.9Å; A644-W938 HydrophobicContact CB-CZ2 4.42Å; A644-W938 HydrophobicContact CB-CZ3 3.74Å
645V91.8Very high91.1Very high47 Ų4726.1 Ų26.129%0.28515%0.151SC..Hα-helixtrans-61.2-48.6-177.6179.50000111.2N643 M649 N937 I958N643-V645 VanDerWaalsContact C-N 3.34Å; N643-V645 PolarHBondContact O-N 3.01Å; N643-V645 PolarHBondContact OD1-N 3.25Å; V645-M649 WeakPolarHBondContact O-CB 3.4Å; V645-M649 PolarHBondContact O-N 2.86Å; V645-M649 VanDerWaalsContact O-N 3.09Å; V645-N937 HydrophobicContact CG2-CB 4.04Å; V645-I958 HydrophobicContact CG1-CB 4.48Å; V645-I958 HydrophobicContact CG1-CG2 4.35Å
646V93.3Very high91.4Very high1 Ų126 Ų261%0.00615%0.149CC..Hα-helixtrans-65-43.5178.5176.50000110.8L602 I605 L640 N643 A644 M649 L650 I958L602-V646 HydrophobicContact CB-CG2 4.19Å; L602-V646 HydrophobicContact CD2-CG2 4.45Å; L602-V646 HydrophobicContact CG-CG2 4.44Å; I605-V646 HydrophobicContact CG2-CG1 4.28Å; L640-V646 HydrophobicContact CD2-CG1 4.35Å; N643-V646 HydrophobicContact CB-CB 4.25Å; N643-V646 HydrophobicContact CB-CG2 4.31Å; N643-V646 PolarHBondContact O-N 3.35Å; N643-V646 PolarHBondContact OD1-N 3Å; N643-V646 VanDerWaalsContact OD1-N 3.08Å; A644-V646 PolarHBondContact O-N 3.22Å; V646-M649 PolarHBondContact O-N 3.48Å; V646-L650 HydrophobicContact CG1-CD1 4.06Å; V646-L650 HydrophobicContact CG1-CG 4.35Å; V646-L650 WeakPolarHBondContact O-CG 3.48Å; V646-L650 PolarHBondContact O-N 3.14Å; V646-I958 HydrophobicContact CG2-CD1 3.71Å; V646-I958 HydrophobicContact CG2-CG1 4.07Å; V646-I958 HydrophobicContact CG2-CG2 4.38Å
647Y92.8Very high91.8Very high9 Ų923.6 Ų23.64%0.03513%0.134CC..Hα-helixtrans-62.5-47.2179.6-174.1-90.6000112.3Q641 N643 A644 M649 L650 E651 P825 L829Q641-Y647 HydrophobicContact CB-CD2 4.42Å; Q641-Y647 HydrophobicContact CG-CD2 4.02Å; Q641-Y647 HydrophobicContact CG-CE2 3.99Å; N643-Y647 WeakPolarHBondContact O-CB 3.29Å; N643-Y647 PolarHBondContact O-N 3.49Å; A644-Y647 PolarHBondContact O-N 3.2Å; Y647-M649 VanDerWaalsContact C-N 3.26Å; Y647-M649 PolarHBondContact O-N 3.09Å; Y647-L650 PolarHBondContact O-N 3.39Å; Y647-E651 HydrophobicContact CD1-CG 4.25Å; Y647-E651 HydrophobicContact CE1-CG 3.72Å; Y647-E651 WeakPolarHBondContact CE1-OE1 3.3Å; Y647-E651 VanDerWaalsContact CZ-OE1 3.29Å; Y647-E651 PolarHBondContact O-N 3.31Å; Y647-E651 PolarHBondContact OH-OE1 3.17Å; Y647-P825 HydrophobicContact CD1-CB 3.53Å; Y647-P825 HydrophobicContact CD1-CG 3.69Å; Y647-P825 HydrophobicContact CD2-CG 4.33Å; Y647-P825 HydrophobicContact CE1-CB 4.2Å; Y647-P825 HydrophobicContact CE1-CG 4.49Å; Y647-P825 HydrophobicContact CG-CB 3.99Å; Y647-P825 HydrophobicContact CG-CG 3.6Å; Y647-L829 HydrophobicContact CE1-CD1 4.18Å
648W93Very high92.1Very high35 Ų3523.1 Ų23.113%0.13313%0.131CC..Hα-helixtrans-59.3-38.8175.4-58.9140.8000112A644 N652 P825 L829 I865 R869A644-W648 WeakPolarHBondContact O-CB 3.25Å; A644-W648 PolarHBondContact O-N 3.07Å; A644-W648 PolarHBondContact O-NE1 3.48Å; W648-N652 VanDerWaalsContact O-CB 3.28Å; W648-N652 WeakPolarHBondContact O-CB 3.46Å; W648-N652 PolarHBondContact O-N 2.76Å; W648-P825 HydrophobicContact CD2-CB 4.35Å; W648-P825 HydrophobicContact CE3-CB 4.33Å; W648-P825 HydrophobicContact CH2-CB 3.39Å; W648-P825 HydrophobicContact CZ2-CB 3.41Å; W648-P825 VanDerWaalsContact CZ2-CB 3.41Å; W648-P825 HydrophobicContact CZ3-CB 3.87Å; W648-L829 HydrophobicContact CH2-CD1 4.44Å; W648-L829 HydrophobicContact CH2-CD2 3.66Å; W648-L829 HydrophobicContact CH2-CG 3.83Å; W648-L829 HydrophobicContact CZ3-CD1 3.93Å; W648-L829 HydrophobicContact CZ3-CD2 3.61Å; W648-L829 HydrophobicContact CZ3-CG 3.79Å; W648-I865 HydrophobicContact CH2-CD1 4.29Å; W648-I865 HydrophobicContact CZ2-CD1 4.23Å; W648-R869 HydrophobicContact CZ3-CG 4.21Å
649M94.9Very high92.5Very high5 Ų519.9 Ų19.93%0.02510%0.104CC..Hα-helixtrans-69.8-38.9178.1-170.460.6-16700112.3C609 E610 Y614 V645 V646 Y647 T653C609-M649 VanDerWaalsContact C-CE 3.43Å; C609-M649 HydrophobicContact CB-CE 3.8Å; C609-M649 HydrophobicContact CB-CG 3.61Å; C609-M649 WeakPolarHBondContact O-CE 3.41Å; E610-M649 HydrophobicContact CB-CE 4.38Å; E610-M649 HydrophobicContact CG-CE 3.83Å; Y614-M649 HydrophobicContact CE2-CE 3.64Å; V645-M649 WeakPolarHBondContact O-CB 3.4Å; V645-M649 PolarHBondContact O-N 2.86Å; V645-M649 VanDerWaalsContact O-N 3.09Å; V646-M649 PolarHBondContact O-N 3.48Å; Y647-M649 VanDerWaalsContact C-N 3.26Å; Y647-M649 PolarHBondContact O-N 3.09Å; M649-T653 VanDerWaalsContact O-CB 3.29Å; M649-T653 WeakPolarHBondContact O-CB 3.28Å; M649-T653 PolarHBondContact O-N 2.54Å; M649-T653 PolarHBondContact O-OG1 2.75Å
650L94.7Very high92.7Very high1 Ų117.6 Ų17.61%0.0059%0.087CC..Hα-helixtrans-60.5-51.3173-73.7167.7000111I605 I631 A634 T635 L640 V646 Y647 N652 T653 L654I605-L650 HydrophobicContact CG2-CD2 3.74Å; I605-L650 HydrophobicContact CG2-CG 4.36Å; I631-L650 HydrophobicContact CG2-CD2 3.71Å; A634-L650 HydrophobicContact CB-CD1 4.29Å; A634-L650 HydrophobicContact CB-CD2 3.93Å; T635-L650 HydrophobicContact CG2-CB 3.77Å; T635-L650 HydrophobicContact CG2-CD1 4.23Å; T635-L650 HydrophobicContact CG2-CG 4.47Å; L640-L650 HydrophobicContact CB-CD1 4.45Å; V646-L650 HydrophobicContact CG1-CD1 4.06Å; V646-L650 HydrophobicContact CG1-CG 4.35Å; V646-L650 WeakPolarHBondContact O-CG 3.48Å; V646-L650 PolarHBondContact O-N 3.14Å; Y647-L650 PolarHBondContact O-N 3.39Å; L650-N652 PolarHBondContact O-N 2.76Å; L650-T653 PolarHBondContact O-N 3.36Å; L650-L654 WeakPolarHBondContact O-CG 3.4Å; L650-L654 PolarHBondContact O-N 3.3Å
651E91.9Very high92.9Very high12 Ų1218 Ų186%0.0569%0.089CC..Hα-helixtrans-59.9-46.5177.6-72.4-163153.100111.3Y647 T653 L654 L655 I695 R869Y647-E651 HydrophobicContact CD1-CG 4.25Å; Y647-E651 HydrophobicContact CE1-CG 3.72Å; Y647-E651 WeakPolarHBondContact CE1-OE1 3.3Å; Y647-E651 VanDerWaalsContact CZ-OE1 3.29Å; Y647-E651 PolarHBondContact O-N 3.31Å; Y647-E651 PolarHBondContact OH-OE1 3.17Å; E651-T653 VanDerWaalsContact C-N 3.34Å; E651-T653 PolarHBondContact O-N 3.41Å; E651-L654 PolarHBondContact O-N 3.12Å; E651-L655 VanDerWaalsContact O-CB 3.3Å; E651-L655 WeakPolarHBondContact O-CB 3.27Å; E651-L655 PolarHBondContact O-N 3.25Å; E651-I695 HydrophobicContact CB-CD1 4.22Å; E651-I695 HydrophobicContact CG-CD1 4.07Å; E651-R869 IonicContact OE2-CZ 2.81Å; E651-R869 IonicContact OE2-NE 3.84Å; E651-R869 PolarHBondContact OE2-NE 3.01Å; E651-R869 IonicContact OE2-NH2 2.99Å
652N94.9Very high93.1Very high10 Ų1018.5 Ų18.55%0.05310%0.096CC..Hα-helixtrans-64.1-38.6180-168.4-96.5000112.1W648 L650 L655 R656 R968W648-N652 VanDerWaalsContact O-CB 3.28Å; W648-N652 WeakPolarHBondContact O-CB 3.46Å; W648-N652 PolarHBondContact O-N 2.76Å; L650-N652 PolarHBondContact O-N 2.76Å; N652-L655 PolarHBondContact O-N 2.87Å; N652-R656 WeakPolarHBondContact O-CB 3.47Å; N652-R656 PolarHBondContact O-N 3.27Å; N652-R968 PolarHBondContact ND2-O 2.95Å
653T95.9Very high93Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-64.3-43.3177.3-57.30000111C609 T612 S613 I631 M649 L650 E651 S657C609-T653 HydrophobicContact CB-CG2 4.49Å; C609-T653 WeakPolarHBondContact CB-OG1 3.26Å; T612-T653 HydrophobicContact CG2-CG2 3.81Å; S613-T653 WeakPolarHBondContact OG-CG2 3.23Å; S613-T653 PolarHBondContact OG-OG1 3.32Å; S613-T653 VanDerWaalsContact OG-OG1 3.13Å; I631-T653 HydrophobicContact CD1-CG2 3.77Å; M649-T653 VanDerWaalsContact O-CB 3.29Å; M649-T653 WeakPolarHBondContact O-CB 3.28Å; M649-T653 PolarHBondContact O-N 2.54Å; M649-T653 PolarHBondContact O-OG1 2.75Å; L650-T653 PolarHBondContact O-N 3.36Å; E651-T653 VanDerWaalsContact C-N 3.34Å; E651-T653 PolarHBondContact O-N 3.41Å; T653-S657 WeakPolarHBondContact O-CB 3.41Å; T653-S657 PolarHBondContact O-N 3.48Å; T653-S657 PolarHBondContact O-OG 3.38Å
654L94.8Very high92.5Very high0 Ų016.1 Ų16.10%09%0.087CC..Hα-helixtrans-63.7-51175-71.9167000111.1L628 I631 Q632 T635 L650 E651 R656 S657 I658 I695L628-L654 HydrophobicContact CB-CD2 4.42Å; L628-L654 HydrophobicContact CD2-CD2 4.1Å; I631-L654 HydrophobicContact CB-CD2 4.18Å; I631-L654 HydrophobicContact CG2-CD1 4.13Å; I631-L654 HydrophobicContact CG2-CD2 3.8Å; I631-L654 HydrophobicContact CG2-CG 3.66Å; Q632-L654 HydrophobicContact CB-CD2 4.26Å; T635-L654 HydrophobicContact CG2-CD1 3.78Å; L650-L654 WeakPolarHBondContact O-CG 3.4Å; L650-L654 PolarHBondContact O-N 3.3Å; E651-L654 PolarHBondContact O-N 3.12Å; L654-R656 PolarHBondContact O-N 3.3Å; L654-S657 PolarHBondContact O-N 3.49Å; L654-I658 HydrophobicContact CB-CD1 4.47Å; L654-I658 WeakPolarHBondContact O-CB 3.4Å; L654-I658 WeakPolarHBondContact O-CD1 3.37Å; L654-I658 VanDerWaalsContact O-CG1 3.25Å; L654-I658 WeakPolarHBondContact O-CG1 3.26Å; L654-I658 PolarHBondContact O-N 2.89Å; L654-I695 HydrophobicContact CB-CD1 4.13Å; L654-I695 HydrophobicContact CB-CG2 4.46Å; L654-I695 HydrophobicContact CD1-CD1 3.92Å
655L95Very high92.2Very high4 Ų418.6 Ų18.62%0.02110%0.097CC..Hα-helixtrans-55.6-52.7-179.9-171.974.5000111.4E651 N652 S657 I658 H659 L872 I972 M975E651-L655 VanDerWaalsContact O-CB 3.3Å; E651-L655 WeakPolarHBondContact O-CB 3.27Å; E651-L655 PolarHBondContact O-N 3.25Å; N652-L655 PolarHBondContact O-N 2.87Å; L655-S657 PolarHBondContact O-N 2.9Å; L655-I658 PolarHBondContact O-N 3.21Å; L655-H659 WeakPolarHBondContact O-CB 3.49Å; L655-H659 PolarHBondContact O-N 3Å; L655-L872 HydrophobicContact CD1-CD1 4.44Å; L655-L872 HydrophobicContact CD2-CD1 3.9Å; L655-L872 HydrophobicContact CD2-CD2 3.75Å; L655-L872 HydrophobicContact CD2-CG 4.49Å; L655-I972 HydrophobicContact CD2-CD1 4.28Å; L655-I972 HydrophobicContact CD2-CG1 3.81Å; L655-M975 HydrophobicContact CD1-CE 3.7Å; L655-M975 HydrophobicContact CD1-SD 4.42Å; L655-M975 HydrophobicContact CD2-CE 4.5Å; L655-M975 HydrophobicContact CG-CE 4.02Å
656R94.5Very high92Very high11 Ų1116.3 Ų16.34%0.0428%0.083CC..Hα-helixtrans-54.8-52.1175.9175.8-174.7-65.1-92.4-22.1111.4S613 N652 L654 I658 H659 W660 L967 P971S613-R656 WeakPolarHBondContact O-CD 3.37Å; N652-R656 WeakPolarHBondContact O-CB 3.47Å; N652-R656 PolarHBondContact O-N 3.27Å; L654-R656 PolarHBondContact O-N 3.3Å; R656-I658 VanDerWaalsContact C-N 3.31Å; R656-I658 PolarHBondContact O-N 2.68Å; R656-H659 PolarHBondContact O-N 2.92Å; R656-W660 HydrophobicContact CG-CD2 4.19Å; R656-W660 HydrophobicContact CG-CE3 3.47Å; R656-W660 VanDerWaalsContact CG-CE3 3.47Å; R656-W660 HydrophobicContact CG-CH2 4.25Å; R656-W660 HydrophobicContact CG-CZ3 3.52Å; R656-W660 VanDerWaalsContact NH1-CH2 3.29Å; R656-W660 WeakPolarHBondContact O-CB 3.45Å; R656-W660 PolarHBondContact O-N 2.83Å; R656-L967 PolarHBondContact NH2-O 2.72Å; R656-P971 HydrophobicContact CB-CG 4.14Å
657S94.1Very high91.6Very high9 Ų917.6 Ų17.66%0.0639%0.089CC..Hα-helixtrans-69.2-31.3-171.9-61.30000112.8R624 T653 L654 L655R624-S657 PolarHBondContact NH2-O 3.45Å; T653-S657 WeakPolarHBondContact O-CB 3.41Å; T653-S657 PolarHBondContact O-N 3.48Å; T653-S657 PolarHBondContact O-OG 3.38Å; L654-S657 PolarHBondContact O-N 3.49Å; L655-S657 PolarHBondContact O-N 2.9Å
658I93.1Very high91.1Very high1 Ų121.4 Ų21.41%0.00511%0.107CC..Hα-helixtrans-79-47.7175.8-69.6165.9000110.4L654 L655 R656 W660 F661 L678 I695 V699 V702L654-I658 HydrophobicContact CB-CD1 4.47Å; L654-I658 WeakPolarHBondContact O-CB 3.4Å; L654-I658 WeakPolarHBondContact O-CD1 3.37Å; L654-I658 VanDerWaalsContact O-CG1 3.25Å; L654-I658 WeakPolarHBondContact O-CG1 3.26Å; L654-I658 PolarHBondContact O-N 2.89Å; L655-I658 PolarHBondContact O-N 3.21Å; R656-I658 VanDerWaalsContact C-N 3.31Å; R656-I658 PolarHBondContact O-N 2.68Å; I658-W660 VanDerWaalsContact C-N 3.28Å; I658-W660 PolarHBondContact O-N 2.71Å; I658-F661 VanDerWaalsContact O-CB 3.22Å; I658-F661 WeakPolarHBondContact O-CB 3.22Å; I658-F661 PolarHBondContact O-N 2.93Å; I658-F661 VanDerWaalsContact O-N 3.08Å; I658-L678 HydrophobicContact CD1-CD1 3.99Å; I658-I695 HydrophobicContact CD1-CG2 3.85Å; I658-V699 HydrophobicContact CD1-CG2 3.92Å; I658-V699 HydrophobicContact CG2-CB 4.35Å; I658-V699 HydrophobicContact CG2-CG2 3.6Å; I658-V702 HydrophobicContact CG2-CG2 4.34Å; I658-V702 WeakPolarHBondContact O-CG2 3.49Å
659H94.2Very high90.6Very high5 Ų524.9 Ų24.92%0.02313%0.133CC..Hα-helixtrans-61.7-38.2-178-170.177.3000112.3L655 R656 F661 R705 P971 D974 M975L655-H659 WeakPolarHBondContact O-CB 3.49Å; L655-H659 PolarHBondContact O-N 3Å; R656-H659 PolarHBondContact O-N 2.92Å; H659-F661 VanDerWaalsContact C-N 3.33Å; H659-R705 PolarHBondContact CE1-NH2 3.21Å; H659-P971 HydrophobicContact CB-CB 4.48Å; H659-D974 IonicContact CD2-OD2 3.28Å; H659-D974 VanDerWaalsContact NE2-CB 3.26Å; H659-D974 WeakPolarHBondContact NE2-CB 3.41Å; H659-D974 IonicContact NE2-OD2 2.78Å; H659-M975 HydrophobicContact CB-CE 3.82Å; H659-M975 WeakPolarHBondContact ND1-CE 3.04Å
660W93.8Very high90.1Very high23 Ų2326.3 Ų26.39%0.08714%0.143CC..THydrogen-bonded Turntrans-96.928.3175.9-58.5-23.8000113R624 R656 I658 L970 P971 D974 H1005 P1006 F1007R624-W660 PolarHBondContact NH2-O 2.99Å; R656-W660 HydrophobicContact CG-CD2 4.19Å; R656-W660 HydrophobicContact CG-CE3 3.47Å; R656-W660 VanDerWaalsContact CG-CE3 3.47Å; R656-W660 HydrophobicContact CG-CH2 4.25Å; R656-W660 HydrophobicContact CG-CZ3 3.52Å; R656-W660 VanDerWaalsContact NH1-CH2 3.29Å; R656-W660 WeakPolarHBondContact O-CB 3.45Å; R656-W660 PolarHBondContact O-N 2.83Å; I658-W660 VanDerWaalsContact C-N 3.28Å; I658-W660 PolarHBondContact O-N 2.71Å; W660-L970 HydrophobicContact CH2-CB 3.84Å; W660-L970 HydrophobicContact CH2-CD1 4.29Å; W660-L970 HydrophobicContact CZ2-CB 3.83Å; W660-P971 HydrophobicContact CZ2-CB 4.1Å; W660-D974 PolarHBondContact NE1-OD2 3.48Å; W660-H1005 AromaticContact CD1-NE2 3.98Å; W660-H1005 AromaticContact CE2-CD2 3.92Å; W660-H1005 AromaticContact CE2-CE1 3.88Å; W660-H1005 AromaticContact CE2-NE2 3.29Å; W660-H1005 VanDerWaalsContact CE2-NE2 3.29Å; W660-H1005 AromaticContact CZ2-CD2 3.47Å; W660-H1005 VanDerWaalsContact CZ2-CD2 3.47Å; W660-H1005 WeakPolarHBondContact CZ2-CD2 3.3Å; W660-H1005 AromaticContact CZ2-NE2 3.37Å; W660-H1005 WeakPolarHBondContact CZ2-NE2 3.45Å; W660-H1005 AromaticContact NE1-CE1 3.78Å; W660-H1005 AromaticContact NE1-NE2 3.11Å; W660-H1005 PolarHBondContact NE1-NE2 2.92Å; W660-H1005 VanDerWaalsContact NE1-NE2 3.11Å; W660-P1006 HydrophobicContact CD2-CG 4.39Å; W660-P1006 HydrophobicContact CE3-CG 3.51Å; W660-P1006 VanDerWaalsContact CH2-CD 3.49Å; W660-P1006 HydrophobicContact CH2-CG 4.04Å; W660-P1006 HydrophobicContact CZ3-CG 3.28Å; W660-F1007 HydrophobicContact CB-CD2 3.79Å; W660-F1007 HydrophobicContact CB-CE2 3.97Å; W660-F1007 HydrophobicContact CD2-CD2 4.3Å; W660-F1007 HydrophobicContact CE3-CD2 4.25Å; W660-F1007 HydrophobicContact CE3-CE2 4.29Å; W660-F1007 HydrophobicContact CG-CD2 4.13Å
661F92.2Very high89.8Confident10 Ų1026.3 Ų26.34%0.04414%0.143CC..SBendtrans-74.4133171.3-152.1-86.7000109.3V621 R624 V625 I658 H659 Y663 E665 V666 F671V621-F661 HydrophobicContact CG1-CE1 4.4Å; V621-F661 HydrophobicContact CG1-CZ 3.9Å; R624-F661 HydrophobicContact CG-CE2 4.44Å; V625-F661 HydrophobicContact CG2-CE2 4.35Å; V625-F661 HydrophobicContact CG2-CZ 4.17Å; I658-F661 VanDerWaalsContact O-CB 3.22Å; I658-F661 WeakPolarHBondContact O-CB 3.22Å; I658-F661 PolarHBondContact O-N 2.93Å; I658-F661 VanDerWaalsContact O-N 3.08Å; H659-F661 VanDerWaalsContact C-N 3.33Å; F661-Y663 PolarHBondContact O-N 3.36Å; F661-E665 HydrophobicContact CD1-CB 4.18Å; F661-E665 HydrophobicContact CE1-CB 3.64Å; F661-V666 HydrophobicContact CD1-CG2 3.98Å; F661-F671 HydrophobicContact CB-CE2 4.31Å; F661-F671 AromaticContact CD1-CD2 3.67Å; F661-F671 HydrophobicContact CD1-CD2 3.67Å; F661-F671 AromaticContact CD1-CE2 3.91Å; F661-F671 HydrophobicContact CD1-CE2 3.91Å; F661-F671 HydrophobicContact CD2-CD2 4.14Å; F661-F671 HydrophobicContact CD2-CE2 4.1Å; F661-F671 HydrophobicContact CE1-CB 4.35Å; F661-F671 AromaticContact CE1-CD2 3.48Å; F661-F671 HydrophobicContact CE1-CD2 3.48Å; F661-F671 VanDerWaalsContact CE1-CD2 3.48Å; F661-F671 HydrophobicContact CE1-CE2 4.19Å; F661-F671 HydrophobicContact CE1-CG 4.28Å; F661-F671 AromaticContact CE2-CD2 3.98Å; F661-F671 HydrophobicContact CE2-CD2 3.98Å; F661-F671 HydrophobicContact CE2-CE2 4.37Å; F661-F671 AromaticContact CG-CD2 3.98Å; F661-F671 HydrophobicContact CG-CD2 3.98Å; F661-F671 AromaticContact CG-CE2 3.85Å; F661-F671 HydrophobicContact CG-CE2 3.85Å; F661-F671 AromaticContact CZ-CD2 3.63Å; F661-F671 HydrophobicContact CZ-CD2 3.63Å; F661-F671 HydrophobicContact CZ-CE2 4.39Å
662P89Confident89.4Confident51 Ų5126 Ų2633%0.33114%0.143SC..  trans-58.6125.6-178.2-23.733.3000111.5C664 E665 V666P662-C664 PolarHBondContact O-N 3.24Å; P662-C664 VanDerWaalsContact O-N 3.14Å; P662-E665 HydrophobicContact CB-CB 4.27Å; P662-E665 HydrophobicContact CB-CG 4.05Å; P662-E665 HydrophobicContact CG-CG 4.49Å; P662-E665 WeakPolarHBondContact O-CB 3.48Å; P662-E665 PolarHBondContact O-N 3.08Å; P662-V666 PolarHBondContact O-N 2.77Å
663Y86.4Confident89Confident37 Ų3730.6 Ų30.615%0.14516%0.159CC..G310 helixtrans-59.4-29.8-174.567.8-91.5000113.2F661 E665 I709 Y1013 T1014F661-Y663 PolarHBondContact O-N 3.36Å; Y663-E665 VanDerWaalsContact C-N 3.26Å; Y663-E665 PolarHBondContact O-N 3.25Å; Y663-I709 HydrophobicContact CD2-CB 4.39Å; Y663-I709 HydrophobicContact CD2-CG2 3.72Å; Y663-I709 HydrophobicContact CE2-CG2 3.69Å; Y663-I709 HydrophobicContact CG-CG2 4.31Å; Y663-Y1013 HydrophobicContact CE1-CE1 4.49Å; Y663-T1014 HydrophobicContact CD1-CG2 3.78Å; Y663-T1014 HydrophobicContact CE1-CG2 4.31Å; Y663-T1014 HydrophobicContact CG-CG2 4.48Å
664C81.8Confident88.6Confident54 Ų5430.6 Ų30.637%0.36516%0.159SC..G310 helixtrans-70.8-17.7176.153.60000113.9P662P662-C664 PolarHBondContact O-N 3.24Å; P662-C664 VanDerWaalsContact O-N 3.14Å
665E84.9Confident88.2Confident65 Ų6530.8 Ų30.830%0.30416%0.16SC..G310 helixtrans-100.8-8.5-178-66.2-71.5167.300112.7V621 F661 P662 Y663 F667 Q668V621-E665 HydrophobicContact CG2-CB 4.24Å; V621-E665 HydrophobicContact CG2-CG 3.76Å; F661-E665 HydrophobicContact CD1-CB 4.18Å; F661-E665 HydrophobicContact CE1-CB 3.64Å; P662-E665 HydrophobicContact CB-CB 4.27Å; P662-E665 HydrophobicContact CB-CG 4.05Å; P662-E665 HydrophobicContact CG-CG 4.49Å; P662-E665 WeakPolarHBondContact O-CB 3.48Å; P662-E665 PolarHBondContact O-N 3.08Å; Y663-E665 VanDerWaalsContact C-N 3.26Å; Y663-E665 PolarHBondContact O-N 3.25Å; E665-F667 PolarHBondContact O-N 3.37Å; E665-Q668 WeakPolarHBondContact O-CB 3.48Å; E665-Q668 PolarHBondContact O-N 3.23Å
666V87.9Confident87.8Confident0 Ų033 Ų330%018%0.176CC..THydrogen-bonded Turntrans-67.6-33.8-174.1168.40000112.9F661 P662 Q668 F671 V702 L703 S706 Y721F661-V666 HydrophobicContact CD1-CG2 3.98Å; P662-V666 PolarHBondContact O-N 2.77Å; V666-Q668 VanDerWaalsContact C-N 3.3Å; V666-Q668 PolarHBondContact O-N 2.9Å; V666-F671 HydrophobicContact CG1-CD1 4.06Å; V666-F671 HydrophobicContact CG1-CE1 3.89Å; V666-F671 HydrophobicContact CG1-CZ 4.35Å; V666-F671 WeakPolarHBondContact O-CB 3.48Å; V666-F671 WeakPolarHBondContact O-CD1 3.23Å; V666-F671 WeakPolarHBondContact O-CG 3.41Å; V666-V702 HydrophobicContact CG2-CG1 3.78Å; V666-L703 HydrophobicContact CG1-CD2 3.63Å; V666-S706 WeakPolarHBondContact CG2-OG 3.42Å; V666-Y721 PolarHBondContact O-OH 3.38Å
667F84Confident87.2Confident28 Ų2835.7 Ų35.712%0.12319%0.19CC..THydrogen-bonded Turntrans-92.519177.6-63.1-68.4000113.7E665 L703 A707 N715 V716 Y721E665-F667 PolarHBondContact O-N 3.37Å; F667-L703 HydrophobicContact CE1-CD2 4.19Å; F667-A707 HydrophobicContact CE2-CB 4.21Å; F667-A707 HydrophobicContact CZ-CB 3.75Å; F667-N715 HydrophobicContact CD1-CB 3.58Å; F667-N715 HydrophobicContact CE1-CB 4Å; F667-N715 HydrophobicContact CG-CB 4.18Å; F667-V716 HydrophobicContact CE1-CG2 3.77Å; F667-V716 HydrophobicContact CZ-CG2 4.01Å; F667-Y721 WeakPolarHBondContact CA-OH 3.38Å; F667-Y721 HydrophobicContact CD1-CD2 4.21Å; F667-Y721 HydrophobicContact CD1-CE2 4.08Å
668Q83.3Confident86.8Confident89 Ų8935.3 Ų35.342%0.41619%0.187SC..SBendtrans-88.7149.9174.6-63-62.3-2900111.7E665 V666 T670 F671 G672 Y721E665-Q668 WeakPolarHBondContact O-CB 3.48Å; E665-Q668 PolarHBondContact O-N 3.23Å; V666-Q668 VanDerWaalsContact C-N 3.3Å; V666-Q668 PolarHBondContact O-N 2.9Å; Q668-T670 PolarHBondContact O-N 3.1Å; Q668-F671 PolarHBondContact O-N 2.64Å; Q668-G672 PolarHBondContact O-N 3.1Å; Q668-G672 VanDerWaalsContact O-N 3.15Å; Q668-Y721 PolarHBondContact O-OH 3.1Å; Q668-Y721 VanDerWaalsContact O-OH 3.06Å
669P81.5Confident86.2Confident107 Ų10736 Ų3670%0.69519%0.191SC*.Hα-helixtrans-54.7-30.5-180-26.934.2000114.4G672 R673P669-G672 PolarHBondContact O-N 3.08Å; P669-R673 PolarHBondContact O-N 3.4Å
670T84.7Confident85.5Confident36 Ų3639 Ų3922%0.22122%0.216CC..Hα-helixtrans-61.6-43.7175.847.10000111.9L622 V625 Q668 R673 L674L622-T670 HydrophobicContact CD1-CG2 4.46Å; V625-T670 WeakPolarHBondContact CG1-O 3.17Å; Q668-T670 PolarHBondContact O-N 3.1Å; T670-R673 WeakPolarHBondContact O-CB 3.13Å; T670-R673 PolarHBondContact O-N 2.93Å; T670-L674 PolarHBondContact O-N 3.33Å
671F87.3Confident84.4Confident1 Ų140.4 Ų40.40%0.00423%0.225CC..Hα-helixtrans-72-37.3176-170.3-90.5000111.5F661 V666 Q668 R673 L674 L675 V699 L703 Y721F661-F671 HydrophobicContact CB-CE2 4.31Å; F661-F671 AromaticContact CD1-CD2 3.67Å; F661-F671 HydrophobicContact CD1-CD2 3.67Å; F661-F671 AromaticContact CD1-CE2 3.91Å; F661-F671 HydrophobicContact CD1-CE2 3.91Å; F661-F671 HydrophobicContact CD2-CD2 4.14Å; F661-F671 HydrophobicContact CD2-CE2 4.1Å; F661-F671 HydrophobicContact CE1-CB 4.35Å; F661-F671 AromaticContact CE1-CD2 3.48Å; F661-F671 HydrophobicContact CE1-CD2 3.48Å; F661-F671 VanDerWaalsContact CE1-CD2 3.48Å; F661-F671 HydrophobicContact CE1-CE2 4.19Å; F661-F671 HydrophobicContact CE1-CG 4.28Å; F661-F671 AromaticContact CE2-CD2 3.98Å; F661-F671 HydrophobicContact CE2-CD2 3.98Å; F661-F671 HydrophobicContact CE2-CE2 4.37Å; F661-F671 AromaticContact CG-CD2 3.98Å; F661-F671 HydrophobicContact CG-CD2 3.98Å; F661-F671 AromaticContact CG-CE2 3.85Å; F661-F671 HydrophobicContact CG-CE2 3.85Å; F661-F671 AromaticContact CZ-CD2 3.63Å; F661-F671 HydrophobicContact CZ-CD2 3.63Å; F661-F671 HydrophobicContact CZ-CE2 4.39Å; V666-F671 HydrophobicContact CG1-CD1 4.06Å; V666-F671 HydrophobicContact CG1-CE1 3.89Å; V666-F671 HydrophobicContact CG1-CZ 4.35Å; V666-F671 WeakPolarHBondContact O-CB 3.48Å; V666-F671 WeakPolarHBondContact O-CD1 3.23Å; V666-F671 WeakPolarHBondContact O-CG 3.41Å; Q668-F671 PolarHBondContact O-N 2.64Å; F671-R673 PolarHBondContact O-N 2.81Å; F671-L674 HydrophobicContact CD2-CD2 4.26Å; F671-L674 HydrophobicContact CE2-CD2 4.19Å; F671-L674 WeakPolarHBondContact O-CA 3.4Å; F671-L674 WeakPolarHBondContact O-CB 3.23Å; F671-L674 PolarHBondContact O-N 2.9Å; F671-L675 PolarHBondContact O-N 3.27Å; F671-V699 HydrophobicContact CZ-CG1 4.49Å; F671-L703 HydrophobicContact CE1-CD2 4.15Å; F671-Y721 HydrophobicContact CD1-CE1 4.12Å
672G85.1Confident83.1Confident5 Ų542.1 Ų42.15%0.05223%0.234CC..Hα-helixtrans-55.6-36.5171.800000113.3Q668 P669 S676 Y721Q668-G672 PolarHBondContact O-N 3.1Å; Q668-G672 VanDerWaalsContact O-N 3.15Å; P669-G672 PolarHBondContact O-N 3.08Å; G672-S676 WeakPolarHBondContact O-CB 3.39Å; G672-S676 PolarHBondContact O-N 3Å; G672-S676 PolarHBondContact O-OG 2.95Å; G672-Y721 PolarHBondContact N-OH 3.28Å
673R85.1Confident81.4Confident106 Ų10641.7 Ų41.740%0.424%0.239SC..Hα-helixtrans-65.9-42.9172.2-177.8-179.464.9-179.8-0.1112.7P669 T670 F671 L675 S676 M677P669-R673 PolarHBondContact O-N 3.4Å; T670-R673 WeakPolarHBondContact O-CB 3.13Å; T670-R673 PolarHBondContact O-N 2.93Å; F671-R673 PolarHBondContact O-N 2.81Å; R673-L675 VanDerWaalsContact C-N 3.34Å; R673-S676 PolarHBondContact O-N 3.03Å; R673-M677 WeakPolarHBondContact O-CG 3.34Å; R673-M677 PolarHBondContact O-N 3.1Å; R673-M677 VanDerWaalsContact O-N 3.07Å
674L87.8Confident79.3Confident1 Ų149.6 Ų49.61%0.00528%0.278CS..Hα-helixtrans-59.3-48.4175.2178.360.5000110.5V625 L628 T670 F671 S676 M677 L678V625-L674 HydrophobicContact CG1-CB 4.08Å; V625-L674 HydrophobicContact CG2-CB 4.4Å; L628-L674 HydrophobicContact CB-CD1 3.67Å; L628-L674 HydrophobicContact CB-CD2 4.34Å; L628-L674 HydrophobicContact CD1-CD2 3.8Å; T670-L674 PolarHBondContact O-N 3.33Å; F671-L674 HydrophobicContact CD2-CD2 4.26Å; F671-L674 HydrophobicContact CE2-CD2 4.19Å; F671-L674 WeakPolarHBondContact O-CA 3.4Å; F671-L674 WeakPolarHBondContact O-CB 3.23Å; F671-L674 PolarHBondContact O-N 2.9Å; L674-S676 PolarHBondContact O-N 2.91Å; L674-M677 PolarHBondContact O-N 3.28Å; L674-L678 HydrophobicContact CD1-CD1 4.22Å; L674-L678 HydrophobicContact CD1-CG 4.31Å; L674-L678 HydrophobicContact CG-CD1 3.91Å; L674-L678 HydrophobicContact CG-CG 4.45Å; L674-L678 WeakPolarHBondContact O-CG 3.36Å; L674-L678 PolarHBondContact O-N 3.04Å
675L87.1Confident77.4Confident3 Ų350.2 Ų50.22%0.01629%0.293CS..Hα-helixtrans-58.9-46.6178.6-177.667.5000111.6F671 R673 M677 L678 I679 V699 L703 Y721 I724F671-L675 PolarHBondContact O-N 3.27Å; R673-L675 VanDerWaalsContact C-N 3.34Å; L675-M677 VanDerWaalsContact C-N 3.31Å; L675-M677 PolarHBondContact O-N 3.01Å; L675-L678 PolarHBondContact O-N 2.68Å; L675-I679 HydrophobicContact CD1-CD1 3.86Å; L675-I679 HydrophobicContact CG-CD1 3.85Å; L675-I679 WeakPolarHBondContact O-CD1 3.48Å; L675-I679 WeakPolarHBondContact O-CG1 3.27Å; L675-I679 PolarHBondContact O-N 3.34Å; L675-V699 HydrophobicContact CD1-CG1 3.39Å; L675-L703 HydrophobicContact CD1-CD1 4.46Å; L675-L703 HydrophobicContact CD2-CD1 4.23Å; L675-Y721 HydrophobicContact CD2-CD1 3.72Å; L675-Y721 HydrophobicContact CD2-CE1 4.1Å; L675-I724 HydrophobicContact CB-CG2 4.45Å; L675-I724 HydrophobicContact CD2-CB 4.16Å; L675-I724 HydrophobicContact CD2-CD1 4.35Å; L675-I724 HydrophobicContact CD2-CG2 3.51Å; L675-I724 HydrophobicContact CG-CG2 3.53Å
676S85.1Confident75.4Confident50 Ų5049 Ų4935%0.3529%0.294SS..Hα-helixtrans-59.1-41.9177.5-59.30000112.2G672 R673 L674 I679 A680 I724G672-S676 WeakPolarHBondContact O-CB 3.39Å; G672-S676 PolarHBondContact O-N 3Å; G672-S676 PolarHBondContact O-OG 2.95Å; R673-S676 PolarHBondContact O-N 3.03Å; L674-S676 PolarHBondContact O-N 2.91Å; S676-I679 PolarHBondContact O-N 3.31Å; S676-A680 VanDerWaalsContact O-CB 3.29Å; S676-A680 WeakPolarHBondContact O-CB 3.43Å; S676-A680 PolarHBondContact O-N 3.11Å; S676-I724 VanDerWaalsContact OG-CD1 3.25Å; S676-I724 WeakPolarHBondContact OG-CD1 3.34Å
677M83.7Confident73.2Confident68 Ų6859.4 Ų59.434%0.33533%0.333SS..Hα-helixtrans-68-42.3177.1-77.4-65.7-53.700112.7R673 L674 L675 I679 A680 N681R673-M677 WeakPolarHBondContact O-CG 3.34Å; R673-M677 PolarHBondContact O-N 3.1Å; R673-M677 VanDerWaalsContact O-N 3.07Å; L674-M677 PolarHBondContact O-N 3.28Å; L675-M677 VanDerWaalsContact C-N 3.31Å; L675-M677 PolarHBondContact O-N 3.01Å; M677-I679 PolarHBondContact O-N 2.95Å; M677-A680 PolarHBondContact O-N 3.45Å; M677-N681 PolarHBondContact O-N 2.84Å
678L84.9Confident71.4Confident1 Ų165.4 Ų65.41%0.00536%0.362CS..Hα-helixtrans-57.6-42.6176.1-75.1165.9000110.7Q632 I658 L674 L675 I695 I696 V699Q632-L678 HydrophobicContact CB-CD2 4.18Å; Q632-L678 HydrophobicContact CG-CD2 3.68Å; I658-L678 HydrophobicContact CD1-CD1 3.99Å; L674-L678 HydrophobicContact CD1-CD1 4.22Å; L674-L678 HydrophobicContact CD1-CG 4.31Å; L674-L678 HydrophobicContact CG-CD1 3.91Å; L674-L678 HydrophobicContact CG-CG 4.45Å; L674-L678 WeakPolarHBondContact O-CG 3.36Å; L674-L678 PolarHBondContact O-N 3.04Å; L675-L678 PolarHBondContact O-N 2.68Å; L678-I695 HydrophobicContact CD2-CG2 4.43Å; L678-I696 HydrophobicContact CB-CD1 3.91Å; L678-V699 HydrophobicContact CD1-CG2 3.89Å
679I80Confident69.7Low16 Ų1668.6 Ų68.68%0.08238%0.377CS..Hα-helixtrans-76.3-41.7-178.6-66.6163.5000111.9L675 S676 M677 N681 M682 I724 K727 V728L675-I679 HydrophobicContact CD1-CD1 3.86Å; L675-I679 HydrophobicContact CG-CD1 3.85Å; L675-I679 WeakPolarHBondContact O-CD1 3.48Å; L675-I679 WeakPolarHBondContact O-CG1 3.27Å; L675-I679 PolarHBondContact O-N 3.34Å; S676-I679 PolarHBondContact O-N 3.31Å; M677-I679 PolarHBondContact O-N 2.95Å; I679-N681 PolarHBondContact O-N 3.14Å; I679-M682 WeakPolarHBondContact O-CB 3.35Å; I679-M682 PolarHBondContact O-N 2.74Å; I679-M682 VanDerWaalsContact O-N 3.07Å; I679-I724 HydrophobicContact CD1-CG2 3.19Å; I679-K727 HydrophobicContact CG2-CB 3.86Å; I679-V728 HydrophobicContact CD1-CG2 3.37Å; I679-V728 HydrophobicContact CG1-CG2 3.79Å
680A79.2Confident68.3Low68 Ų6868.1 Ų68.156%0.56237%0.365SS*.Hα-helixtrans-58.1-36177.700000112.4S676 M677 M682 G683S676-A680 VanDerWaalsContact O-CB 3.29Å; S676-A680 WeakPolarHBondContact O-CB 3.43Å; S676-A680 PolarHBondContact O-N 3.11Å; M677-A680 PolarHBondContact O-N 3.45Å; A680-M682 VanDerWaalsContact C-N 3.29Å; A680-M682 PolarHBondContact O-N 3.4Å; A680-G683 PolarHBondContact O-N 3.27Å
681N72Confident67.1Low52 Ų5266.5 Ų66.528%0.27836%0.356SS..THydrogen-bonded Turntrans-77.4-10.1179.8-73.7-6.4000114.3T636 M677 I679T636-N681 HydrophobicContact CG2-CB 4.16Å; M677-N681 PolarHBondContact O-N 2.84Å; I679-N681 PolarHBondContact O-N 3.14Å
682M64.8Low66.1Low46 Ų4667.1 Ų67.123%0.22736%0.363CS..THydrogen-bonded Turntrans-74.2-17.8170.8-65-73.8-71.800111.5I679 A680 A686 D693 I696I679-M682 WeakPolarHBondContact O-CB 3.35Å; I679-M682 PolarHBondContact O-N 2.74Å; I679-M682 VanDerWaalsContact O-N 3.07Å; A680-M682 VanDerWaalsContact C-N 3.29Å; A680-M682 PolarHBondContact O-N 3.4Å; M682-A686 WeakPolarHBondContact O-CB 3.4Å; M682-D693 WeakPolarHBondContact CE-OD1 3.43Å; M682-I696 HydrophobicContact CE-CG1 4.48Å; M682-I696 HydrophobicContact CG-CG1 4.5Å; M682-I696 HydrophobicContact SD-CG1 4.24Å
683G52.4Low65.8Low43 Ų4368.3 Ų68.344%0.44337%0.368SS..  trans80.3136.8-174.400000112.3A680 G685 A686A680-G683 PolarHBondContact O-N 3.27Å; G683-G685 PolarHBondContact O-N 3.13Å; G683-A686 PolarHBondContact O-N 2.91Å
684E42.6Very low65.9Low203 Ų20363.6 Ų63.695%0.94935%0.35SS*.THydrogen-bonded Turntrans-65.1106.4170.6-70.1-176.116600108.5
685G42.5Very low65.9Low67 Ų6764.3 Ų64.369%0.69135%0.354SS*.THydrogen-bonded Turntrans91.919.517700000115.8G683 R687G683-G685 PolarHBondContact O-N 3.13Å; G685-R687 VanDerWaalsContact C-N 3.3Å; G685-R687 PolarHBondContact O-N 3.35Å
686A42.4Very low65.9Low40 Ų4064.4 Ų64.433%0.33136%0.355SS..  trans-57.3101.6159.600000108.4M682 G683M682-A686 WeakPolarHBondContact O-CB 3.4Å; G683-A686 PolarHBondContact O-N 2.91Å
687R41.1Very low66.2Low217 Ų21763.2 Ų63.282%0.81934%0.343SS*.  trans-53.1149.3172.5-66.3176.4178.6178.9-1.4107.6G685 Q689G685-R687 VanDerWaalsContact C-N 3.3Å; G685-R687 PolarHBondContact O-N 3.35Å; R687-Q689 PolarHBondContact O-N 3.06Å
688Q47Very low66.5Low154 Ų15460 Ų6072%0.7233%0.327SS*.THydrogen-bonded Turntrans-51.215.2-177.7-65172.9-35.900117.1
689Q46.8Very low66.8Low157 Ų15760 Ų6073%0.73433%0.327SS*.THydrogen-bonded Turntrans-107.4-1.1-168.6-67.8-167.8-700114.8R687 I830R687-Q689 PolarHBondContact O-N 3.06Å; Q689-I830 WeakPolarHBondContact O-CD1 3.39Å
690E53.5Low67.3Low96 Ų9659.3 Ų59.345%0.44932%0.324SS..SBendtrans-99115.8176.9-62.7-168.7169.800110.6R826E690-R826 IonicContact OE2-CZ 4Å; E690-R826 IonicContact OE2-NE 2.62Å; E690-R826 IonicContact OE2-NH2 3.82Å; E690-R826 PolarHBondContact OE2-NH2 3.08Å
691G58.6Low67.9Low3 Ų356.8 Ų56.83%0.03130%0.301CS..SBendtrans-60.5151.6175.800000112I830G691-I830 VanDerWaalsContact N-CG1 3.33Å
692G66.1Low68.9Low14 Ų1454.5 Ų54.514%0.14429%0.289CS..  trans120.52.8-178.900000115.6E694G692-E694 VanDerWaalsContact CA-OE2 3.29Å; G692-E694 WeakPolarHBondContact CA-OE2 3.25Å; G692-E694 PolarHBondContact O-N 3.31Å
693D78.4Confident70.1Confident29 Ų2952.3 Ų52.316%0.15528%0.278CS..THydrogen-bonded Turntrans-63.1-11.5-178.2-64.1-26.1000114.8M682 I695 I696 K697 Y731M682-D693 WeakPolarHBondContact CE-OD1 3.43Å; D693-I695 PolarHBondContact O-N 3.44Å; D693-I696 PolarHBondContact O-N 2.94Å; D693-I696 VanDerWaalsContact O-N 3.09Å; D693-K697 PolarHBondContact O-N 3.34Å; D693-Y731 HydrophobicContact CB-CD1 4.47Å; D693-Y731 HydrophobicContact CB-CE1 3.61Å; D693-Y731 VanDerWaalsContact CG-CE1 3.46Å; D693-Y731 PolarHBondContact OD1-OH 3.25Å; D693-Y731 WeakPolarHBondContact OD2-CE1 3.5Å
694E87.8Confident71.9Confident7 Ų750.3 Ų50.33%0.03326%0.257CS..Hα-helixtrans-61.1-29.6-176.4-62.892.7152.400112.8G692 S698 R869 L872 F876G692-E694 VanDerWaalsContact CA-OE2 3.29Å; G692-E694 WeakPolarHBondContact CA-OE2 3.25Å; G692-E694 PolarHBondContact O-N 3.31Å; E694-S698 WeakPolarHBondContact O-CB 3.28Å; E694-S698 PolarHBondContact O-N 3.26Å; E694-R869 IonicContact OE1-CZ 2.71Å; E694-R869 IonicContact OE1-NH1 3.58Å; E694-R869 PolarHBondContact OE1-NH1 2.97Å; E694-R869 IonicContact OE1-NH2 3.38Å; E694-R869 PolarHBondContact OE1-NH2 2.8Å; E694-R869 IonicContact OE2-CZ 2.68Å; E694-R869 IonicContact OE2-NH1 3.59Å; E694-R869 IonicContact OE2-NH2 3.19Å; E694-R869 PolarHBondContact OE2-NH2 3Å; E694-L872 HydrophobicContact CB-CD2 4.21Å; E694-L872 HydrophobicContact CB-CG 4.21Å; E694-L872 HydrophobicContact CG-CG 4.29Å; E694-F876 HydrophobicContact CB-CD2 3.77Å; E694-F876 HydrophobicContact CB-CE2 4.18Å; E694-F876 HydrophobicContact CB-CG 4.43Å; E694-F876 HydrophobicContact CG-CB 3.96Å; E694-F876 HydrophobicContact CG-CD2 3.75Å; E694-F876 HydrophobicContact CG-CG 4.15Å
695I88.4Confident74.3Confident16 Ų1641.5 Ų41.58%0.08222%0.215CC..Hα-helixtrans-64.5-47.8174.6-62.7177.1000110E651 L654 I658 L678 D693 S698 V699E651-I695 HydrophobicContact CB-CD1 4.22Å; E651-I695 HydrophobicContact CG-CD1 4.07Å; L654-I695 HydrophobicContact CB-CD1 4.13Å; L654-I695 HydrophobicContact CB-CG2 4.46Å; L654-I695 HydrophobicContact CD1-CD1 3.92Å; I658-I695 HydrophobicContact CD1-CG2 3.85Å; L678-I695 HydrophobicContact CD2-CG2 4.43Å; D693-I695 PolarHBondContact O-N 3.44Å; I695-S698 WeakPolarHBondContact O-CB 3.1Å; I695-S698 PolarHBondContact O-N 3.49Å; I695-V699 WeakPolarHBondContact O-CG2 3.24Å; I695-V699 PolarHBondContact O-N 2.85Å
696I87.7Confident76.6Confident6 Ų638.5 Ų38.53%0.03118%0.183CC..Hα-helixtrans-68.9-38.8179.6-57.6-61.3000110.9L678 M682 D693 S698 V699 I700 V728 Y731L678-I696 HydrophobicContact CB-CD1 3.91Å; M682-I696 HydrophobicContact CE-CG1 4.48Å; M682-I696 HydrophobicContact CG-CG1 4.5Å; M682-I696 HydrophobicContact SD-CG1 4.24Å; D693-I696 PolarHBondContact O-N 2.94Å; D693-I696 VanDerWaalsContact O-N 3.09Å; I696-S698 VanDerWaalsContact C-N 3.3Å; I696-S698 PolarHBondContact O-N 2.87Å; I696-V699 WeakPolarHBondContact O-CB 3.32Å; I696-V699 PolarHBondContact O-N 3.44Å; I696-V699 VanDerWaalsContact O-N 3.08Å; I696-I700 HydrophobicContact CG2-CD1 4.15Å; I696-I700 WeakPolarHBondContact O-CG1 3.49Å; I696-I700 PolarHBondContact O-N 3.39Å; I696-V728 HydrophobicContact CG2-CG1 3.78Å; I696-Y731 HydrophobicContact CB-CE2 4.14Å; I696-Y731 HydrophobicContact CG2-CE2 3.62Å
697K90.2Very high78.7Confident24 Ų2436.6 Ų36.610%0.10417%0.168CC..Hα-helixtrans-59.1-42.1171.8-72.9-177.7169.7-179.50111.7D693 V699 I700 L701 Y731 W733 F876D693-K697 PolarHBondContact O-N 3.34Å; K697-V699 VanDerWaalsContact C-N 3.31Å; K697-V699 PolarHBondContact O-N 2.81Å; K697-I700 PolarHBondContact O-N 3.14Å; K697-L701 PolarHBondContact O-N 3.37Å; K697-Y731 HydrophobicContact CG-CD2 4.46Å; K697-Y731 HydrophobicContact CG-CG 4.41Å; K697-W733 HydrophobicContact CB-CH2 3.7Å; K697-W733 HydrophobicContact CB-CZ2 4.12Å; K697-W733 HydrophobicContact CD-CH2 4.49Å; K697-W733 HydrophobicContact CG-CH2 3.95Å; K697-W733 HydrophobicContact CG-CZ2 3.97Å; K697-F876 HydrophobicContact CB-CD1 3.62Å; K697-F876 HydrophobicContact CB-CE1 3.57Å; K697-F876 HydrophobicContact CB-CG 4.33Å; K697-F876 HydrophobicContact CB-CZ 4.24Å; K697-F876 HydrophobicContact CD-CB 4.03Å; K697-F876 HydrophobicContact CD-CD1 3.81Å; K697-F876 HydrophobicContact CD-CG 4.15Å; K697-F876 HydrophobicContact CG-CD1 4.35Å; K697-F876 PolarHBondContact NZ-O 3.33Å
698S91.4Very high80.9Confident0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-61-39.2173-178.80000112.1E694 I695 I696 L701 V702 M975E694-S698 WeakPolarHBondContact O-CB 3.28Å; E694-S698 PolarHBondContact O-N 3.26Å; I695-S698 WeakPolarHBondContact O-CB 3.1Å; I695-S698 PolarHBondContact O-N 3.49Å; I696-S698 VanDerWaalsContact C-N 3.3Å; I696-S698 PolarHBondContact O-N 2.87Å; S698-L701 PolarHBondContact O-N 3.27Å; S698-V702 VanDerWaalsContact O-CG2 3.28Å; S698-V702 WeakPolarHBondContact O-CG2 3.14Å; S698-V702 PolarHBondContact O-N 3.49Å; S698-M975 WeakPolarHBondContact OG-CE 3.43Å
699V90.3Very high82.7Confident1 Ų121 Ų211%0.00611%0.109CC..Hα-helixtrans-61.9-43.7174.6176.90000111.3I658 F671 L675 L678 I695 I696 K697 L701 V702 L703I658-V699 HydrophobicContact CD1-CG2 3.92Å; I658-V699 HydrophobicContact CG2-CB 4.35Å; I658-V699 HydrophobicContact CG2-CG2 3.6Å; F671-V699 HydrophobicContact CZ-CG1 4.49Å; L675-V699 HydrophobicContact CD1-CG1 3.39Å; L678-V699 HydrophobicContact CD1-CG2 3.89Å; I695-V699 WeakPolarHBondContact O-CG2 3.24Å; I695-V699 PolarHBondContact O-N 2.85Å; I696-V699 WeakPolarHBondContact O-CB 3.32Å; I696-V699 PolarHBondContact O-N 3.44Å; I696-V699 VanDerWaalsContact O-N 3.08Å; K697-V699 VanDerWaalsContact C-N 3.31Å; K697-V699 PolarHBondContact O-N 2.81Å; V699-L701 VanDerWaalsContact C-N 3.35Å; V699-L701 PolarHBondContact O-N 2.94Å; V699-V702 PolarHBondContact O-N 3.15Å; V699-L703 HydrophobicContact CG1-CD1 4.13Å; V699-L703 HydrophobicContact CG1-CG 4.48Å; V699-L703 WeakPolarHBondContact O-CG 2.85Å; V699-L703 PolarHBondContact O-N 3.36Å
700I90.2Very high84.2Confident2 Ų215 Ų151%0.019%0.085CC..Hα-helixtrans-62.6-42.5177.5-65.4158.1000110.7I696 K697 V702 L703 A704 V728 Y731 W733 F741 Y749I696-I700 HydrophobicContact CG2-CD1 4.15Å; I696-I700 WeakPolarHBondContact O-CG1 3.49Å; I696-I700 PolarHBondContact O-N 3.39Å; K697-I700 PolarHBondContact O-N 3.14Å; I700-V702 VanDerWaalsContact C-N 3.34Å; I700-V702 PolarHBondContact O-N 3.37Å; I700-L703 PolarHBondContact O-N 3.48Å; I700-A704 WeakPolarHBondContact O-CB 2.92Å; I700-A704 PolarHBondContact O-N 3.05Å; I700-V728 HydrophobicContact CD1-CG1 4.4Å; I700-Y731 HydrophobicContact CD1-CD2 3.71Å; I700-Y731 HydrophobicContact CD1-CE2 4.09Å; I700-W733 HydrophobicContact CB-CH2 4.4Å; I700-W733 HydrophobicContact CB-CZ2 3.87Å; I700-W733 HydrophobicContact CD1-CZ2 3.92Å; I700-W733 HydrophobicContact CG2-CH2 4.37Å; I700-W733 HydrophobicContact CG2-CZ2 3.68Å; I700-F741 HydrophobicContact CG2-CE2 3.79Å; I700-F741 HydrophobicContact CG2-CZ 4.11Å; I700-Y749 WeakPolarHBondContact CD1-OH 3.28Å; I700-Y749 HydrophobicContact CG2-CE2 3.92Å
701L91.6Very high85Confident15 Ų1516.4 Ų16.48%0.07910%0.095CC..Hα-helixtrans-61.2-41.9174.3-72.3-177.8000112.2K697 S698 V699 A704 R705 W733 T737 F741 F876K697-L701 PolarHBondContact O-N 3.37Å; S698-L701 PolarHBondContact O-N 3.27Å; V699-L701 VanDerWaalsContact C-N 3.35Å; V699-L701 PolarHBondContact O-N 2.94Å; L701-A704 PolarHBondContact O-N 3.37Å; L701-R705 VanDerWaalsContact O-CB 3.27Å; L701-R705 WeakPolarHBondContact O-CB 3.48Å; L701-R705 PolarHBondContact O-N 2.91Å; L701-W733 HydrophobicContact CD2-CH2 4.17Å; L701-W733 HydrophobicContact CD2-CZ3 3.92Å; L701-W733 HydrophobicContact CG-CH2 4.06Å; L701-W733 HydrophobicContact CG-CZ3 4.18Å; L701-T737 HydrophobicContact CD2-CG2 4.21Å; L701-F741 HydrophobicContact CD2-CE1 3.62Å; L701-F741 HydrophobicContact CD2-CZ 3.8Å; L701-F876 HydrophobicContact CD1-CE1 3.52Å; L701-F876 HydrophobicContact CD1-CZ 3.81Å; L701-F876 HydrophobicContact CG-CE1 4.29Å
702V92.6Very high85.7Confident4 Ų417.7 Ų17.72%0.02410%0.104CC..Hα-helixtrans-65.3-40.3177.21700000111.1I658 V666 S698 V699 I700 S706I658-V702 HydrophobicContact CG2-CG2 4.34Å; I658-V702 WeakPolarHBondContact O-CG2 3.49Å; V666-V702 HydrophobicContact CG2-CG1 3.78Å; S698-V702 VanDerWaalsContact O-CG2 3.28Å; S698-V702 WeakPolarHBondContact O-CG2 3.14Å; S698-V702 PolarHBondContact O-N 3.49Å; V699-V702 PolarHBondContact O-N 3.15Å; I700-V702 VanDerWaalsContact C-N 3.34Å; I700-V702 PolarHBondContact O-N 3.37Å; V702-S706 WeakPolarHBondContact O-CB 3.4Å; V702-S706 PolarHBondContact O-N 2.89Å; V702-S706 PolarHBondContact O-OG 2.97Å
703L90.5Very high85.7Confident1 Ų121 Ų211%0.00512%0.116CC..Hα-helixtrans-63.4-47.9174.4-74.4169.4000111.7V666 F667 F671 L675 V699 I700 R705 S706 A707 Y721 L725V666-L703 HydrophobicContact CG1-CD2 3.63Å; F667-L703 HydrophobicContact CE1-CD2 4.19Å; F671-L703 HydrophobicContact CE1-CD2 4.15Å; L675-L703 HydrophobicContact CD1-CD1 4.46Å; L675-L703 HydrophobicContact CD2-CD1 4.23Å; V699-L703 HydrophobicContact CG1-CD1 4.13Å; V699-L703 HydrophobicContact CG1-CG 4.48Å; V699-L703 WeakPolarHBondContact O-CG 2.85Å; V699-L703 PolarHBondContact O-N 3.36Å; I700-L703 PolarHBondContact O-N 3.48Å; L703-R705 PolarHBondContact O-N 2.98Å; L703-S706 PolarHBondContact O-N 3.24Å; L703-A707 VanDerWaalsContact O-CB 3.31Å; L703-A707 WeakPolarHBondContact O-CB 3.27Å; L703-A707 PolarHBondContact O-N 3.23Å; L703-Y721 HydrophobicContact CD2-CD1 3.85Å; L703-Y721 HydrophobicContact CD2-CE1 3.95Å; L703-L725 HydrophobicContact CD1-CD2 4.01Å
704A90.8Very high85.3Confident0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-59-48.7178.300000111.3I700 L701 A707 A708 F741 P742 L745 F1018I700-A704 WeakPolarHBondContact O-CB 2.92Å; I700-A704 PolarHBondContact O-N 3.05Å; L701-A704 PolarHBondContact O-N 3.37Å; A704-A707 PolarHBondContact O-N 3.12Å; A704-A708 PolarHBondContact O-N 2.91Å; A704-A708 VanDerWaalsContact O-N 3.12Å; A704-F741 HydrophobicContact CB-CD1 3.92Å; A704-F741 HydrophobicContact CB-CE1 4.13Å; A704-F741 HydrophobicContact CB-CG 4.16Å; A704-P742 VanDerWaalsContact O-CG 3.28Å; A704-P742 WeakPolarHBondContact O-CG 3.35Å; A704-L745 HydrophobicContact CB-CD1 3.73Å; A704-F1018 HydrophobicContact CB-CZ 4.32Å
705R92Very high84.3Confident19 Ų1927.9 Ų27.97%0.07215%0.147CC..Hα-helixtrans-62.1-47178.4-163.6-170.1-43.6169.29.8111.8H659 L701 L703 A708 I709 F1018H659-R705 PolarHBondContact CE1-NH2 3.21Å; L701-R705 VanDerWaalsContact O-CB 3.27Å; L701-R705 WeakPolarHBondContact O-CB 3.48Å; L701-R705 PolarHBondContact O-N 2.91Å; L703-R705 PolarHBondContact O-N 2.98Å; R705-A708 PolarHBondContact O-N 3.36Å; R705-I709 HydrophobicContact CG-CD1 3.79Å; R705-I709 VanDerWaalsContact O-CG1 3.23Å; R705-I709 WeakPolarHBondContact O-CG1 3.49Å; R705-I709 PolarHBondContact O-N 2.71Å; R705-F1018 HydrophobicContact CB-CD2 4.23Å; R705-F1018 HydrophobicContact CB-CE2 4.43Å; R705-F1018 HydrophobicContact CB-CG 4.3Å; R705-F1018 HydrophobicContact CG-CB 3.82Å; R705-F1018 HydrophobicContact CG-CD1 4.2Å; R705-F1018 HydrophobicContact CG-CD2 4.08Å; R705-F1018 HydrophobicContact CG-CG 3.77Å
706S91Very high83.5Confident3 Ų327.5 Ų27.52%0.02115%0.145CC..Hα-helixtrans-66.6-40.2-178.3-56.40000111.5V666 V702 L703 I709 S710V666-S706 WeakPolarHBondContact CG2-OG 3.42Å; V702-S706 WeakPolarHBondContact O-CB 3.4Å; V702-S706 PolarHBondContact O-N 2.89Å; V702-S706 PolarHBondContact O-OG 2.97Å; L703-S706 PolarHBondContact O-N 3.24Å; S706-I709 PolarHBondContact O-N 3.05Å; S706-S710 WeakPolarHBondContact O-CB 3.32Å; S706-S710 PolarHBondContact O-N 2.79Å; S706-S710 PolarHBondContact O-OG 3.16Å
707A88Confident82.6Confident0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-60.3-45.7176.300000111.7F667 L703 A704 N711 S712 V716 P742F667-A707 HydrophobicContact CE2-CB 4.21Å; F667-A707 HydrophobicContact CZ-CB 3.75Å; L703-A707 VanDerWaalsContact O-CB 3.31Å; L703-A707 WeakPolarHBondContact O-CB 3.27Å; L703-A707 PolarHBondContact O-N 3.23Å; A704-A707 PolarHBondContact O-N 3.12Å; A707-N711 WeakPolarHBondContact O-CA 3.42Å; A707-N711 PolarHBondContact O-N 2.95Å; A707-N711 VanDerWaalsContact O-N 3.13Å; A707-S712 PolarHBondContact O-N 3.08Å; A707-V716 HydrophobicContact CB-CG2 4.01Å; A707-P742 HydrophobicContact CB-CB 4.47Å; A707-P742 HydrophobicContact CB-CG 3.83Å
708A86Confident81.3Confident27 Ų2736.4 Ų36.422%0.22319%0.185CC..Hα-helixtrans-65.1-40.2178.800000112.7A704 R705 P742 F1018A704-A708 PolarHBondContact O-N 2.91Å; A704-A708 VanDerWaalsContact O-N 3.12Å; R705-A708 PolarHBondContact O-N 3.36Å; A708-P742 HydrophobicContact CB-CG 4.33Å; A708-F1018 HydrophobicContact CB-CD2 3.66Å; A708-F1018 HydrophobicContact CB-CE2 3.9Å
709I84.4Confident80.2Confident16 Ų1638.5 Ų38.58%0.08221%0.207CC..Hα-helixtrans-75.6-42.8-177.4-65.6171.7000111.7Y663 R705 S706 N711 Y1013 T1014 R1017Y663-I709 HydrophobicContact CD2-CB 4.39Å; Y663-I709 HydrophobicContact CD2-CG2 3.72Å; Y663-I709 HydrophobicContact CE2-CG2 3.69Å; Y663-I709 HydrophobicContact CG-CG2 4.31Å; R705-I709 HydrophobicContact CG-CD1 3.79Å; R705-I709 VanDerWaalsContact O-CG1 3.23Å; R705-I709 WeakPolarHBondContact O-CG1 3.49Å; R705-I709 PolarHBondContact O-N 2.71Å; S706-I709 PolarHBondContact O-N 3.05Å; I709-N711 VanDerWaalsContact C-N 3.3Å; I709-N711 PolarHBondContact O-N 3.22Å; I709-Y1013 HydrophobicContact CG2-CE1 4.32Å; I709-T1014 HydrophobicContact CD1-CG2 3.65Å; I709-R1017 HydrophobicContact CB-CG 4.45Å; I709-R1017 HydrophobicContact CG1-CB 4.16Å; I709-R1017 HydrophobicContact CG1-CG 3.84Å; I709-R1017 HydrophobicContact CG2-CG 4.39Å
710S78.4Confident79.2Confident32 Ų3244.2 Ų44.222%0.22424%0.236CC..THydrogen-bonded Turntrans-87.54.8-176.963.60000113.7S706 S712S706-S710 WeakPolarHBondContact O-CB 3.32Å; S706-S710 PolarHBondContact O-N 2.79Å; S706-S710 PolarHBondContact O-OG 3.16Å; S710-S712 PolarHBondContact O-N 3.25Å; S710-S712 VanDerWaalsContact O-N 3.08Å; S710-S712 PolarHBondContact O-OG 3.48Å; S710-S712 WeakPolarHBondContact OG-CB 3.43Å; S710-S712 PolarHBondContact OG-OG 2.71Å
711N72Confident78.5Confident126 Ų12644.8 Ų44.867%0.67424%0.238SC*.THydrogen-bonded Turntrans48.332.6-171.1-65.7-29.6000112.9A707 I709 E713A707-N711 WeakPolarHBondContact O-CA 3.42Å; A707-N711 PolarHBondContact O-N 2.95Å; A707-N711 VanDerWaalsContact O-N 3.13Å; I709-N711 VanDerWaalsContact C-N 3.3Å; I709-N711 PolarHBondContact O-N 3.22Å; N711-E713 VanDerWaalsContact C-N 3.33Å; N711-E713 PolarHBondContact O-N 3.5Å
712S71.7Confident77.8Confident30 Ų3051.3 Ų51.321%0.2126%0.261CS..  trans-97.435-175.1-67.40000112.4A707 S710 F714 N715A707-S712 PolarHBondContact O-N 3.08Å; S710-S712 PolarHBondContact O-N 3.25Å; S710-S712 VanDerWaalsContact O-N 3.08Å; S710-S712 PolarHBondContact O-OG 3.48Å; S710-S712 WeakPolarHBondContact OG-CB 3.43Å; S710-S712 PolarHBondContact OG-OG 2.71Å; S712-F714 PolarHBondContact O-N 3.24Å; S712-F714 VanDerWaalsContact O-N 3.16Å; S712-N715 PolarHBondContact O-N 2.93Å; S712-N715 VanDerWaalsContact O-N 3.1Å
713E67.3Low77Confident84 Ų8456 Ų5639%0.39329%0.286SS..Hα-helixtrans-58.4-28.9178.4-60.9-167.2160.900112.2N711 N715 V716 K717 P742N711-E713 VanDerWaalsContact C-N 3.33Å; N711-E713 PolarHBondContact O-N 3.5Å; E713-N715 VanDerWaalsContact C-N 3.32Å; E713-N715 PolarHBondContact O-N 2.95Å; E713-V716 PolarHBondContact O-N 3.3Å; E713-V716 VanDerWaalsContact O-N 3.14Å; E713-K717 WeakPolarHBondContact O-CB 3.37Å; E713-K717 PolarHBondContact O-N 3.32Å; E713-P742 HydrophobicContact CG-CB 4.26Å
714F69.8Low76.2Confident126 Ų12656.6 Ų56.655%0.55329%0.289SS*.Hα-helixtrans-54.8-44.1174.8-178.7-96.5000112.5S712 V716 K717 E718S712-F714 PolarHBondContact O-N 3.24Å; S712-F714 VanDerWaalsContact O-N 3.16Å; F714-V716 PolarHBondContact O-N 2.85Å; F714-K717 PolarHBondContact O-N 2.89Å; F714-E718 HydrophobicContact CD2-CB 4.49Å; F714-E718 HydrophobicContact CE1-CB 4.35Å; F714-E718 HydrophobicContact CE2-CB 4.03Å; F714-E718 HydrophobicContact CE2-CG 4.22Å; F714-E718 WeakPolarHBondContact CE2-OE2 3.43Å; F714-E718 HydrophobicContact CZ-CB 3.94Å; F714-E718 VanDerWaalsContact CZ-OE2 3.29Å; F714-E718 WeakPolarHBondContact CZ-OE2 3.34Å; F714-E718 PolarHBondContact O-N 2.67Å; F714-E718 VanDerWaalsContact O-O 3.1Å
715N67.2Low75.6Confident54 Ų5457 Ų5729%0.28929%0.292SS..Hα-helixtrans-65.3-23.8-178.4-70.8-37.8000113.1F667 S712 E713 E718 Y721F667-N715 HydrophobicContact CD1-CB 3.58Å; F667-N715 HydrophobicContact CE1-CB 4Å; F667-N715 HydrophobicContact CG-CB 4.18Å; S712-N715 PolarHBondContact O-N 2.93Å; S712-N715 VanDerWaalsContact O-N 3.1Å; E713-N715 VanDerWaalsContact C-N 3.32Å; E713-N715 PolarHBondContact O-N 2.95Å; N715-E718 CarbonylContact C-O 3.59Å; N715-E718 VanDerWaalsContact C-O 3.31Å; N715-E718 WeakPolarHBondContact CA-O 3.34Å; N715-Y721 WeakPolarHBondContact O-CB 3.15Å
716V70.7Confident74.9Confident8 Ų859.3 Ų59.35%0.04832%0.315CS..Hα-helixtrans-89.9-33.5178.1-172.60000111F667 A707 E713 F714 L725 P744 L745F667-V716 HydrophobicContact CE1-CG2 3.77Å; F667-V716 HydrophobicContact CZ-CG2 4.01Å; A707-V716 HydrophobicContact CB-CG2 4.01Å; E713-V716 PolarHBondContact O-N 3.3Å; E713-V716 VanDerWaalsContact O-N 3.14Å; F714-V716 PolarHBondContact O-N 2.85Å; V716-L725 HydrophobicContact CG1-CD1 4.08Å; V716-P744 HydrophobicContact CG1-CB 4.31Å; V716-L745 HydrophobicContact CG1-CD1 4.28Å; V716-L745 HydrophobicContact CG1-CD2 3.5Å; V716-L745 HydrophobicContact CG1-CG 3.64Å
717K68.3Low74.3Confident127 Ų12766.3 Ų66.355%0.55235%0.345SS*.Hα-helixtrans-73.6-39.6176.5-169.5-174.6175.6-170.40112.1E713 F714 R722 P744E713-K717 WeakPolarHBondContact O-CB 3.37Å; E713-K717 PolarHBondContact O-N 3.32Å; F714-K717 PolarHBondContact O-N 2.89Å; K717-R722 WeakPolarHBondContact O-CD 3.39Å; K717-P744 HydrophobicContact CB-CB 4.21Å; K717-P744 HydrophobicContact CB-CG 3.93Å; K717-P744 HydrophobicContact CG-CG 4.43Å
718E62.9Low73.8Confident90 Ų9066.7 Ų66.742%0.42135%0.347SS..SBendtrans-135145.3-173.7-66.2-178.4-15900110.4F714 N715F714-E718 HydrophobicContact CD2-CB 4.49Å; F714-E718 HydrophobicContact CE1-CB 4.35Å; F714-E718 HydrophobicContact CE2-CB 4.03Å; F714-E718 HydrophobicContact CE2-CG 4.22Å; F714-E718 WeakPolarHBondContact CE2-OE2 3.43Å; F714-E718 HydrophobicContact CZ-CB 3.94Å; F714-E718 VanDerWaalsContact CZ-OE2 3.29Å; F714-E718 WeakPolarHBondContact CZ-OE2 3.34Å; F714-E718 PolarHBondContact O-N 2.67Å; F714-E718 VanDerWaalsContact O-O 3.1Å; N715-E718 CarbonylContact C-O 3.59Å; N715-E718 VanDerWaalsContact C-O 3.31Å; N715-E718 WeakPolarHBondContact CA-O 3.34Å
719G68.7Low73Confident44 Ų4467.4 Ų67.445%0.45435%0.349SS..SBendtrans93.9-165.9176.100000115.3Y721 R722G719-Y721 VanDerWaalsContact C-N 3.26Å; G719-Y721 PolarHBondContact O-N 3.46Å; G719-Y721 VanDerWaalsContact O-N 3.13Å; G719-R722 WeakPolarHBondContact O-CB 3.45Å; G719-R722 PolarHBondContact O-N 3.2Å
720I70Confident72.4Confident120 Ų12068.6 Ų68.662%0.61536%0.362SS*.Hα-helixtrans-56.6-36.2-164.5-65.4171.3000112.7R722 D723 I724I720-R722 PolarHBondContact O-N 2.94Å; I720-D723 PolarHBondContact O-N 3.5Å; I720-I724 HydrophobicContact CG2-CD1 3.42Å; I720-I724 VanDerWaalsContact CG2-CD1 3.42Å; I720-I724 HydrophobicContact CG2-CG1 4.13Å; I720-I724 WeakPolarHBondContact O-CB 3.44Å; I720-I724 WeakPolarHBondContact O-CD1 3.35Å; I720-I724 WeakPolarHBondContact O-CG1 3.4Å; I720-I724 PolarHBondContact O-N 3.07Å
721Y75.8Confident72.4Confident14 Ų1467.9 Ų67.96%0.05535%0.354CS..Hα-helixtrans-70.3-32.8-178.2-69.9-94000112.8V666 F667 Q668 F671 G672 L675 L703 N715 G719 I724 L725V666-Y721 PolarHBondContact O-OH 3.38Å; F667-Y721 WeakPolarHBondContact CA-OH 3.38Å; F667-Y721 HydrophobicContact CD1-CD2 4.21Å; F667-Y721 HydrophobicContact CD1-CE2 4.08Å; Q668-Y721 PolarHBondContact O-OH 3.1Å; Q668-Y721 VanDerWaalsContact O-OH 3.06Å; F671-Y721 HydrophobicContact CD1-CE1 4.12Å; G672-Y721 PolarHBondContact N-OH 3.28Å; L675-Y721 HydrophobicContact CD2-CD1 3.72Å; L675-Y721 HydrophobicContact CD2-CE1 4.1Å; L703-Y721 HydrophobicContact CD2-CD1 3.85Å; L703-Y721 HydrophobicContact CD2-CE1 3.95Å; N715-Y721 WeakPolarHBondContact O-CB 3.15Å; G719-Y721 VanDerWaalsContact C-N 3.26Å; G719-Y721 PolarHBondContact O-N 3.46Å; G719-Y721 VanDerWaalsContact O-N 3.13Å; Y721-I724 PolarHBondContact O-N 3.32Å; Y721-L725 VanDerWaalsContact O-CB 3.26Å; Y721-L725 WeakPolarHBondContact O-CB 3.36Å; Y721-L725 WeakPolarHBondContact O-CG 3.1Å; Y721-L725 PolarHBondContact O-N 3.4Å
722R76.7Confident72.9Confident153 Ų15364.9 Ų64.958%0.57734%0.337SS*.Hα-helixtrans-62.4-49174.1-175.5-158.4175.5-174.4-3.9110.5K717 G719 I720 I724 L725 A726K717-R722 WeakPolarHBondContact O-CD 3.39Å; G719-R722 WeakPolarHBondContact O-CB 3.45Å; G719-R722 PolarHBondContact O-N 3.2Å; I720-R722 PolarHBondContact O-N 2.94Å; R722-I724 VanDerWaalsContact C-N 3.27Å; R722-I724 PolarHBondContact O-N 2.95Å; R722-L725 PolarHBondContact O-N 3.26Å; R722-A726 WeakPolarHBondContact O-CB 3.45Å; R722-A726 PolarHBondContact O-N 3.25Å
723D75.5Confident73.6Confident102 Ų10264 Ų6455%0.54533%0.329SS..Hα-helixtrans-64.5-35.3-178.6-62.3-27000111.6I720I720-D723 PolarHBondContact O-N 3.5Å
724I74.2Confident74.7Confident14 Ų1460.3 Ų60.37%0.07231%0.312CS..Hα-helixtrans-70.5-46.1174.5-67167.9000111L675 S676 I679 I720 Y721 R722 A726 K727L675-I724 HydrophobicContact CB-CG2 4.45Å; L675-I724 HydrophobicContact CD2-CB 4.16Å; L675-I724 HydrophobicContact CD2-CD1 4.35Å; L675-I724 HydrophobicContact CD2-CG2 3.51Å; L675-I724 HydrophobicContact CG-CG2 3.53Å; S676-I724 VanDerWaalsContact OG-CD1 3.25Å; S676-I724 WeakPolarHBondContact OG-CD1 3.34Å; I679-I724 HydrophobicContact CD1-CG2 3.19Å; I720-I724 HydrophobicContact CG2-CD1 3.42Å; I720-I724 VanDerWaalsContact CG2-CD1 3.42Å; I720-I724 HydrophobicContact CG2-CG1 4.13Å; I720-I724 WeakPolarHBondContact O-CB 3.44Å; I720-I724 WeakPolarHBondContact O-CD1 3.35Å; I720-I724 WeakPolarHBondContact O-CG1 3.4Å; I720-I724 PolarHBondContact O-N 3.07Å; Y721-I724 PolarHBondContact O-N 3.32Å; R722-I724 VanDerWaalsContact C-N 3.27Å; R722-I724 PolarHBondContact O-N 2.95Å; I724-A726 VanDerWaalsContact C-N 3.27Å; I724-A726 PolarHBondContact O-N 3.18Å; I724-K727 WeakPolarHBondContact O-CB 3.25Å; I724-K727 PolarHBondContact O-N 3.43Å; I724-K727 VanDerWaalsContact O-N 3.08Å
725L76.3Confident75.6Confident9 Ų959.3 Ų59.35%0.04731%0.309CS..Hα-helixtrans-64.5-30.8179.4-75.4171000112.6L703 V716 Y721 R722 K727 V728 L745L703-L725 HydrophobicContact CD1-CD2 4.01Å; V716-L725 HydrophobicContact CG1-CD1 4.08Å; Y721-L725 VanDerWaalsContact O-CB 3.26Å; Y721-L725 WeakPolarHBondContact O-CB 3.36Å; Y721-L725 WeakPolarHBondContact O-CG 3.1Å; Y721-L725 PolarHBondContact O-N 3.4Å; R722-L725 PolarHBondContact O-N 3.26Å; L725-K727 PolarHBondContact O-N 2.86Å; L725-K727 VanDerWaalsContact O-N 3.15Å; L725-V728 HydrophobicContact CD2-CG2 4.33Å; L725-V728 WeakPolarHBondContact O-CB 3.43Å; L725-V728 PolarHBondContact O-N 3.14Å; L725-L745 HydrophobicContact CD1-CD2 3.71Å
726A78.2Confident76.7Confident67 Ų6757.4 Ų57.455%0.55430%0.3SS*.THydrogen-bonded Turntrans-62.3-18.1174.300000113.5R722 I724R722-A726 WeakPolarHBondContact O-CB 3.45Å; R722-A726 PolarHBondContact O-N 3.25Å; I724-A726 VanDerWaalsContact C-N 3.27Å; I724-A726 PolarHBondContact O-N 3.18Å
727K79.3Confident77.8Confident149 Ų14957.3 Ų57.365%0.64830%0.3SS*.THydrogen-bonded Turntrans-90.6-9.8175.9-60-179.9-178.3-171.20113.4I679 I724 L725I679-K727 HydrophobicContact CG2-CB 3.86Å; I724-K727 WeakPolarHBondContact O-CB 3.25Å; I724-K727 PolarHBondContact O-N 3.43Å; I724-K727 VanDerWaalsContact O-N 3.08Å; L725-K727 PolarHBondContact O-N 2.86Å; L725-K727 VanDerWaalsContact O-N 3.15Å
728V76.2Confident78.8Confident9 Ų951.4 Ų51.46%0.05527%0.274CS..SBendtrans-77.5140.3179.3-176.80000109.2I679 I696 I700 L725 Y731I679-V728 HydrophobicContact CD1-CG2 3.37Å; I679-V728 HydrophobicContact CG1-CG2 3.79Å; I696-V728 HydrophobicContact CG2-CG1 3.78Å; I700-V728 HydrophobicContact CD1-CG1 4.4Å; L725-V728 HydrophobicContact CD2-CG2 4.33Å; L725-V728 WeakPolarHBondContact O-CB 3.43Å; L725-V728 PolarHBondContact O-N 3.14Å; V728-Y731 HydrophobicContact CG1-CD2 3.93Å; V728-Y731 HydrophobicContact CG1-CE2 3.4Å; V728-Y731 VanDerWaalsContact CG1-CE2 3.4Å
729P69.7Low80.2Confident41 Ų4152.2 Ų52.227%0.26628%0.278SS..  trans-52.7147.3172-26.935000112.7Y731P729-Y731 HydrophobicContact CB-CE1 4.29Å; P729-Y731 WeakPolarHBondContact O-CD2 3.36Å; P729-Y731 PolarHBondContact O-N 2.85Å
730A71.3Confident81.3Confident42 Ų4251.5 Ų51.535%0.34726%0.262SS..  trans-67.391.1175.100000110.4Q752A730-Q752 HydrophobicContact CB-CB 4.31Å; A730-Q752 HydrophobicContact CB-CG 4.48Å
731Y79Confident82.3Confident16 Ų1646.1 Ų46.16%0.06324%0.235CC..  trans-78.5135.1175.2-65.1-58000111.1D693 I696 K697 I700 V728 P729D693-Y731 HydrophobicContact CB-CD1 4.47Å; D693-Y731 HydrophobicContact CB-CE1 3.61Å; D693-Y731 VanDerWaalsContact CG-CE1 3.46Å; D693-Y731 PolarHBondContact OD1-OH 3.25Å; D693-Y731 WeakPolarHBondContact OD2-CE1 3.5Å; I696-Y731 HydrophobicContact CB-CE2 4.14Å; I696-Y731 HydrophobicContact CG2-CE2 3.62Å; K697-Y731 HydrophobicContact CG-CD2 4.46Å; K697-Y731 HydrophobicContact CG-CG 4.41Å; I700-Y731 HydrophobicContact CD1-CD2 3.71Å; I700-Y731 HydrophobicContact CD1-CE2 4.09Å; V728-Y731 HydrophobicContact CG1-CD2 3.93Å; V728-Y731 HydrophobicContact CG1-CE2 3.4Å; V728-Y731 VanDerWaalsContact CG1-CE2 3.4Å; P729-Y731 HydrophobicContact CB-CE1 4.29Å; P729-Y731 WeakPolarHBondContact O-CD2 3.36Å; P729-Y731 PolarHBondContact O-N 2.85Å
732M81.4Confident83Confident63 Ų6345.8 Ų45.831%0.3123%0.234SC..  trans-76.7132.2166.9-67.7175.75300110.2P757 H878M732-P757 HydrophobicContact CE-CB 3.82Å; M732-P757 HydrophobicContact CE-CG 3.75Å; M732-H878 HydrophobicContact CB-CB 4.1Å; M732-H878 HydrophobicContact CE-CB 4.46Å; M732-H878 VanDerWaalsContact CE-CD2 3.43Å; M732-H878 WeakPolarHBondContact CE-CD2 3.35Å
733W87.9Confident83.4Confident13 Ų1345.2 Ų45.25%0.04924%0.238CC..  trans-120.4137.1176.9-69.394.9000109.4K697 I700 L701 Q735 T737 L738 F741 Y749 Q753 F876K697-W733 HydrophobicContact CB-CH2 3.7Å; K697-W733 HydrophobicContact CB-CZ2 4.12Å; K697-W733 HydrophobicContact CD-CH2 4.49Å; K697-W733 HydrophobicContact CG-CH2 3.95Å; K697-W733 HydrophobicContact CG-CZ2 3.97Å; I700-W733 HydrophobicContact CB-CH2 4.4Å; I700-W733 HydrophobicContact CB-CZ2 3.87Å; I700-W733 HydrophobicContact CD1-CZ2 3.92Å; I700-W733 HydrophobicContact CG2-CH2 4.37Å; I700-W733 HydrophobicContact CG2-CZ2 3.68Å; L701-W733 HydrophobicContact CD2-CH2 4.17Å; L701-W733 HydrophobicContact CD2-CZ3 3.92Å; L701-W733 HydrophobicContact CG-CH2 4.06Å; L701-W733 HydrophobicContact CG-CZ3 4.18Å; W733-Q735 PolarHBondContact O-N 3.11Å; W733-T737 HydrophobicContact CE3-CG2 3.89Å; W733-T737 HydrophobicContact CZ3-CG2 4.24Å; W733-L738 HydrophobicContact CB-CD1 4.47Å; W733-F741 HydrophobicContact CD2-CE2 4.12Å; W733-F741 AromaticContact CD2-CZ 3.99Å; W733-F741 HydrophobicContact CD2-CZ 3.99Å; W733-F741 AromaticContact CE3-CZ 3.95Å; W733-F741 HydrophobicContact CE3-CZ 3.95Å; W733-F741 HydrophobicContact CG-CE2 4.43Å; W733-F741 HydrophobicContact CH2-CZ 4.15Å; W733-F741 HydrophobicContact CZ2-CE2 4.41Å; W733-F741 HydrophobicContact CZ2-CZ 4.2Å; W733-F741 HydrophobicContact CZ3-CZ 4.02Å; W733-Y749 AromaticContact CD1-CD1 3.73Å; W733-Y749 AromaticContact CD1-CG 3.69Å; W733-Y749 AromaticContact NE1-CD1 3.75Å; W733-Y749 AromaticContact NE1-CE1 3.77Å; W733-Y749 AromaticContact NE1-CG 3.89Å; W733-Y749 AromaticContact NE1-CZ 3.93Å; W733-Q753 PolarHBondContact O-NE2 3.14Å; W733-F876 HydrophobicContact CH2-CE1 4.45Å; W733-F876 HydrophobicContact CZ3-CD1 4.47Å; W733-F876 HydrophobicContact CZ3-CE1 4.45Å
734P89.3Confident83.8Confident6 Ų641.8 Ų41.84%0.03922%0.221CC..  trans-51.8136.2165.2-22.632.6000110.5S736 T737 L738 E880 R979P734-S736 VanDerWaalsContact CB-OG 3.26Å; P734-S736 WeakPolarHBondContact CB-OG 3.31Å; P734-S736 PolarHBondContact O-N 2.78Å; P734-T737 WeakPolarHBondContact O-CA 3.3Å; P734-T737 WeakPolarHBondContact O-CB 3.4Å; P734-T737 PolarHBondContact O-N 3.22Å; P734-L738 WeakPolarHBondContact O-CB 3.3Å; P734-L738 PolarHBondContact O-N 2.94Å; P734-E880 WeakPolarHBondContact CA-OE1 3.45Å; P734-E880 HydrophobicContact CB-CG 4.31Å; P734-E880 WeakPolarHBondContact CB-OE1 3.28Å; P734-R979 VanDerWaalsContact CG-NH2 3.32Å
735Q89.3Confident84.3Confident105 Ų10541.2 Ų41.249%0.49122%0.218SC..Hα-helixtrans-54.2-34.8167.9-68.4-61.4-34.900111.9W733 T737 L738 Q739 E880W733-Q735 PolarHBondContact O-N 3.11Å; Q735-T737 PolarHBondContact O-N 3.12Å; Q735-L738 PolarHBondContact O-N 3.25Å; Q735-Q739 PolarHBondContact O-N 3.4Å; Q735-Q739 VanDerWaalsContact O-N 3.1Å; Q735-E880 WeakPolarHBondContact CA-OE1 3.27Å; Q735-E880 PolarHBondContact N-OE1 3.07Å
736S90.9Very high84.8Confident14 Ų1442.2 Ų42.210%0.09823%0.225CC..Hα-helixtrans-59.1-29.5173.648.60000113.3P734 Q739 F740 E880 R979P734-S736 VanDerWaalsContact CB-OG 3.26Å; P734-S736 WeakPolarHBondContact CB-OG 3.31Å; P734-S736 PolarHBondContact O-N 2.78Å; S736-Q739 PolarHBondContact O-NE2 2.98Å; S736-F740 VanDerWaalsContact O-CD2 3.27Å; S736-F740 WeakPolarHBondContact O-CD2 3.27Å; S736-F740 WeakPolarHBondContact O-CE2 3.15Å; S736-E880 PolarHBondContact N-OE1 3.09Å; S736-E880 PolarHBondContact OG-OE1 3.08Å; S736-R979 PolarHBondContact OG-NH1 3.4Å; S736-R979 VanDerWaalsContact OG-NH1 3.09Å
737T92.8Very high85Confident6 Ų641 Ų414%0.03722%0.216CC..Hα-helixtrans-89.5-46172.3-540000111.5L701 W733 P734 Q735 Q739 F740 F741 R979 E982L701-T737 HydrophobicContact CD2-CG2 4.21Å; W733-T737 HydrophobicContact CE3-CG2 3.89Å; W733-T737 HydrophobicContact CZ3-CG2 4.24Å; P734-T737 WeakPolarHBondContact O-CA 3.3Å; P734-T737 WeakPolarHBondContact O-CB 3.4Å; P734-T737 PolarHBondContact O-N 3.22Å; Q735-T737 PolarHBondContact O-N 3.12Å; T737-Q739 PolarHBondContact O-N 2.95Å; T737-F740 PolarHBondContact O-N 3.34Å; T737-F741 HydrophobicContact CG2-CD1 4.43Å; T737-F741 HydrophobicContact CG2-CE1 3.65Å; T737-F741 HydrophobicContact CG2-CZ 4.09Å; T737-R979 PolarHBondContact OG1-NH1 3.03Å; T737-E982 WeakPolarHBondContact CB-OE2 3.5Å; T737-E982 PolarHBondContact OG1-OE2 2.96Å
738L90.6Very high85.1Confident3 Ų336.9 Ų36.92%0.01620%0.198CC..Hα-helixtrans-60.3-32.5-172.4-169.266.9000112.7W733 P734 Q735 F740 F741W733-L738 HydrophobicContact CB-CD1 4.47Å; P734-L738 WeakPolarHBondContact O-CB 3.3Å; P734-L738 PolarHBondContact O-N 2.94Å; Q735-L738 PolarHBondContact O-N 3.25Å; L738-F740 PolarHBondContact O-N 3.08Å; L738-F740 VanDerWaalsContact O-N 3.16Å; L738-F741 HydrophobicContact CD1-CD2 3.97Å; L738-F741 HydrophobicContact CD1-CG 4.45Å; L738-F741 WeakPolarHBondContact O-CB 3.45Å; L738-F741 PolarHBondContact O-N 2.89Å
739Q91.2Very high85.4Confident106 Ų10636.5 Ų36.550%0.49520%0.195SC..THydrogen-bonded Turntrans-60.3-22.4176.670.5-175.2-34.400114.3Q735 S736 T737Q735-Q739 PolarHBondContact O-N 3.4Å; Q735-Q739 VanDerWaalsContact O-N 3.1Å; S736-Q739 PolarHBondContact O-NE2 2.98Å; T737-Q739 PolarHBondContact O-N 2.95Å
740F92.4Very high85.7Confident30 Ų3036 Ų3613%0.13220%0.198CC..THydrogen-bonded Turntrans-92.6-11.7178.1-63.4-73.1000112.9S736 T737 L738 E982 F1018 Y1019 R1022S736-F740 VanDerWaalsContact O-CD2 3.27Å; S736-F740 WeakPolarHBondContact O-CD2 3.27Å; S736-F740 WeakPolarHBondContact O-CE2 3.15Å; T737-F740 PolarHBondContact O-N 3.34Å; L738-F740 PolarHBondContact O-N 3.08Å; L738-F740 VanDerWaalsContact O-N 3.16Å; F740-E982 HydrophobicContact CD2-CG 3.89Å; F740-E982 HydrophobicContact CE2-CB 4.23Å; F740-E982 HydrophobicContact CE2-CG 3.83Å; F740-F1018 HydrophobicContact CB-CE1 4.18Å; F740-F1018 HydrophobicContact CB-CZ 4.1Å; F740-F1018 WeakPolarHBondContact O-CE2 2.82Å; F740-F1018 WeakPolarHBondContact O-CZ 3.38Å; F740-Y1019 HydrophobicContact CB-CE1 4.23Å; F740-Y1019 AromaticContact CD1-CD1 3.78Å; F740-Y1019 HydrophobicContact CD1-CD1 3.78Å; F740-Y1019 HydrophobicContact CD1-CE1 4.21Å; F740-Y1019 HydrophobicContact CD2-CD1 4.16Å; F740-Y1019 AromaticContact CD2-CE1 3.87Å; F740-Y1019 HydrophobicContact CD2-CE1 3.87Å; F740-Y1019 AromaticContact CE1-CD1 3.96Å; F740-Y1019 HydrophobicContact CE1-CD1 3.96Å; F740-Y1019 HydrophobicContact CE2-CD1 4.31Å; F740-Y1019 HydrophobicContact CE2-CE1 4.28Å; F740-Y1019 AromaticContact CG-CD1 3.89Å; F740-Y1019 HydrophobicContact CG-CD1 3.89Å; F740-Y1019 AromaticContact CG-CE1 3.83Å; F740-Y1019 HydrophobicContact CG-CE1 3.83Å; F740-Y1019 HydrophobicContact CZ-CD1 4.22Å; F740-R1022 HydrophobicContact CE1-CB 3.7Å; F740-R1022 HydrophobicContact CZ-CB 3.75Å; F740-R1022 HydrophobicContact CZ-CG 4.15Å
741F91.3Very high85.5Confident7 Ų741.8 Ų41.83%0.03122%0.217CC..SBendtrans-68.6142.9178.6-78.417.7000109.9I700 L701 A704 W733 T737 L738 L745 C746 Y749I700-F741 HydrophobicContact CG2-CE2 3.79Å; I700-F741 HydrophobicContact CG2-CZ 4.11Å; L701-F741 HydrophobicContact CD2-CE1 3.62Å; L701-F741 HydrophobicContact CD2-CZ 3.8Å; A704-F741 HydrophobicContact CB-CD1 3.92Å; A704-F741 HydrophobicContact CB-CE1 4.13Å; A704-F741 HydrophobicContact CB-CG 4.16Å; W733-F741 HydrophobicContact CD2-CE2 4.12Å; W733-F741 AromaticContact CD2-CZ 3.99Å; W733-F741 HydrophobicContact CD2-CZ 3.99Å; W733-F741 AromaticContact CE3-CZ 3.95Å; W733-F741 HydrophobicContact CE3-CZ 3.95Å; W733-F741 HydrophobicContact CG-CE2 4.43Å; W733-F741 HydrophobicContact CH2-CZ 4.15Å; W733-F741 HydrophobicContact CZ2-CE2 4.41Å; W733-F741 HydrophobicContact CZ2-CZ 4.2Å; W733-F741 HydrophobicContact CZ3-CZ 4.02Å; T737-F741 HydrophobicContact CG2-CD1 4.43Å; T737-F741 HydrophobicContact CG2-CE1 3.65Å; T737-F741 HydrophobicContact CG2-CZ 4.09Å; L738-F741 HydrophobicContact CD1-CD2 3.97Å; L738-F741 HydrophobicContact CD1-CG 4.45Å; L738-F741 WeakPolarHBondContact O-CB 3.45Å; L738-F741 PolarHBondContact O-N 2.89Å; F741-L745 HydrophobicContact CB-CB 4.14Å; F741-L745 HydrophobicContact CD2-CB 3.95Å; F741-L745 HydrophobicContact CG-CB 4.45Å; F741-C746 HydrophobicContact CB-CB 4.24Å; F741-Y749 HydrophobicContact CD2-CD2 4.4Å; F741-Y749 HydrophobicContact CE2-CD2 4.33Å
742P88.8Confident84.7Confident7 Ų744.2 Ų44.25%0.04523%0.229CC..  trans-50.3145.4167.5-24.331000111.2A704 A707 A708 E713 P744 L745 C746A704-P742 VanDerWaalsContact O-CG 3.28Å; A704-P742 WeakPolarHBondContact O-CG 3.35Å; A707-P742 HydrophobicContact CB-CB 4.47Å; A707-P742 HydrophobicContact CB-CG 3.83Å; A708-P742 HydrophobicContact CB-CG 4.33Å; E713-P742 HydrophobicContact CG-CB 4.26Å; P742-P744 VanDerWaalsContact C-CD 3.41Å; P742-P744 VanDerWaalsContact C-N 3.32Å; P742-P744 VanDerWaalsContact O-N 3.11Å; P742-L745 PolarHBondContact O-N 3.41Å; P742-C746 PolarHBondContact O-N 3.39Å
743Q86.3Confident83.9Confident141 Ų14143.4 Ų43.466%0.65923%0.225SC*.Hα-helixtrans-48.1-43.1-173.2-75.6-69.6-36.600114.4L745 C746 A747Q743-L745 PolarHBondContact O-N 3.43Å; Q743-C746 PolarHBondContact O-N 3.4Å; Q743-A747 WeakPolarHBondContact O-CB 3.39Å; Q743-A747 PolarHBondContact O-N 3.14Å
744P83.4Confident82.2Confident29 Ų2946.1 Ų46.119%0.18826%0.257CS..Hα-helixtrans-61.4-39.9178-24.134.8000114.2V716 K717 P742 F748V716-P744 HydrophobicContact CG1-CB 4.31Å; K717-P744 HydrophobicContact CB-CB 4.21Å; K717-P744 HydrophobicContact CB-CG 3.93Å; K717-P744 HydrophobicContact CG-CG 4.43Å; P742-P744 VanDerWaalsContact C-CD 3.41Å; P742-P744 VanDerWaalsContact C-N 3.32Å; P742-P744 VanDerWaalsContact O-N 3.11Å; P744-F748 WeakPolarHBondContact O-CB 3.31Å; P744-F748 PolarHBondContact O-N 2.97Å; P744-F748 VanDerWaalsContact O-N 3.09Å
745L85.3Confident80.3Confident3 Ų352.2 Ų52.22%0.01629%0.288CS..Hα-helixtrans-75.1-40.4177.7-68.1175.2000111.2A704 V716 L725 F741 P742 Q743 A747 F748 Y749A704-L745 HydrophobicContact CB-CD1 3.73Å; V716-L745 HydrophobicContact CG1-CD1 4.28Å; V716-L745 HydrophobicContact CG1-CD2 3.5Å; V716-L745 HydrophobicContact CG1-CG 3.64Å; L725-L745 HydrophobicContact CD1-CD2 3.71Å; F741-L745 HydrophobicContact CB-CB 4.14Å; F741-L745 HydrophobicContact CD2-CB 3.95Å; F741-L745 HydrophobicContact CG-CB 4.45Å; P742-L745 PolarHBondContact O-N 3.41Å; Q743-L745 PolarHBondContact O-N 3.43Å; L745-A747 VanDerWaalsContact C-N 3.33Å; L745-A747 PolarHBondContact O-N 2.96Å; L745-F748 PolarHBondContact O-N 3.42Å; L745-Y749 HydrophobicContact CD2-CE2 4.37Å; L745-Y749 WeakPolarHBondContact O-CD2 3.28Å; L745-Y749 PolarHBondContact O-N 3.46Å
746C86.9Confident78.3Confident29 Ų2952.8 Ų52.820%0.19630%0.298CS..Hα-helixtrans-58-46.6176-175.30000110.8F741 P742 Q743 G750F741-C746 HydrophobicContact CB-CB 4.24Å; P742-C746 PolarHBondContact O-N 3.39Å; Q743-C746 PolarHBondContact O-N 3.4Å; C746-G750 WeakPolarHBondContact O-CA 3.03Å; C746-G750 PolarHBondContact O-N 2.89Å
747A83Confident76.3Confident43 Ų4355.5 Ų55.536%0.35532%0.315SS..Hα-helixtrans-65.3-43.117600000112.8Q743 L745 G750 H751Q743-A747 WeakPolarHBondContact O-CB 3.39Å; Q743-A747 PolarHBondContact O-N 3.14Å; L745-A747 VanDerWaalsContact C-N 3.33Å; L745-A747 PolarHBondContact O-N 2.96Å; A747-G750 PolarHBondContact O-N 3.07Å; A747-H751 WeakPolarHBondContact O-CB 3.36Å; A747-H751 PolarHBondContact O-CD2 2.76Å; A747-H751 VanDerWaalsContact O-CD2 3.27Å; A747-H751 PolarHBondContact O-N 3.3Å
748F80.5Confident74.2Confident61 Ų6161.1 Ų61.127%0.26835%0.35SS..Hα-helixtrans-59-51.9179.3179.4-96.1000112.1P744 L745 Q752P744-F748 WeakPolarHBondContact O-CB 3.31Å; P744-F748 PolarHBondContact O-N 2.97Å; P744-F748 VanDerWaalsContact O-N 3.09Å; L745-F748 PolarHBondContact O-N 3.42Å; F748-Q752 VanDerWaalsContact CZ-NE2 3.34Å; F748-Q752 WeakPolarHBondContact O-CG 3.27Å
749Y81.7Confident72.4Confident1 Ų166.1 Ų66.10%0.00438%0.382CS..Hα-helixtrans-78.1-30.1179.5-69.8-69.1000112.5I700 W733 F741 L745 Q752 Q753I700-Y749 WeakPolarHBondContact CD1-OH 3.28Å; I700-Y749 HydrophobicContact CG2-CE2 3.92Å; W733-Y749 AromaticContact CD1-CD1 3.73Å; W733-Y749 AromaticContact CD1-CG 3.69Å; W733-Y749 AromaticContact NE1-CD1 3.75Å; W733-Y749 AromaticContact NE1-CE1 3.77Å; W733-Y749 AromaticContact NE1-CG 3.89Å; W733-Y749 AromaticContact NE1-CZ 3.93Å; F741-Y749 HydrophobicContact CD2-CD2 4.4Å; F741-Y749 HydrophobicContact CE2-CD2 4.33Å; L745-Y749 HydrophobicContact CD2-CE2 4.37Å; L745-Y749 WeakPolarHBondContact O-CD2 3.28Å; L745-Y749 PolarHBondContact O-N 3.46Å; Y749-Q752 PolarHBondContact O-N 2.8Å; Y749-Q753 WeakPolarHBondContact O-CG 3.46Å; Y749-Q753 PolarHBondContact O-N 3.41Å
750G76.1Confident70.8Confident31 Ų3164.9 Ų64.932%0.3238%0.376SS..Hα-helixtrans-63.9-41.8176.300000113C746 A747 Q752 Q753C746-G750 WeakPolarHBondContact O-CA 3.03Å; C746-G750 PolarHBondContact O-N 2.89Å; A747-G750 PolarHBondContact O-N 3.07Å; G750-Q752 VanDerWaalsContact C-N 3.32Å; G750-Q752 PolarHBondContact O-N 3.22Å; G750-Q753 PolarHBondContact O-N 3.27Å
751H67.4Low69.7Low163 Ų16368.3 Ų68.376%0.75540%0.396SS*.Hα-helixtrans-67.2-31.3175.1-73.2-36.4000113.2A747A747-H751 WeakPolarHBondContact O-CB 3.36Å; A747-H751 PolarHBondContact O-CD2 2.76Å; A747-H751 VanDerWaalsContact O-CD2 3.27Å; A747-H751 PolarHBondContact O-N 3.3Å
752Q62.9Low69.1Low67 Ų6769.4 Ų69.431%0.31340%0.4SS..Hα-helixtrans-76.6-21.5178.9-69.9-176.8-2.900113.2A730 F748 Y749 G750 G754A730-Q752 HydrophobicContact CB-CB 4.31Å; A730-Q752 HydrophobicContact CB-CG 4.48Å; F748-Q752 VanDerWaalsContact CZ-NE2 3.34Å; F748-Q752 WeakPolarHBondContact O-CG 3.27Å; Y749-Q752 PolarHBondContact O-N 2.8Å; G750-Q752 VanDerWaalsContact C-N 3.32Å; G750-Q752 PolarHBondContact O-N 3.22Å; Q752-G754 PolarHBondContact O-N 3.44Å
753Q63.4Low68.9Low47 Ų4774.5 Ų74.522%0.2243%0.427CS..THydrogen-bonded Turntrans-751.2178-74.8-17618.900114.9W733 Y749 G750 I755W733-Q753 PolarHBondContact O-NE2 3.14Å; Y749-Q753 WeakPolarHBondContact O-CG 3.46Å; Y749-Q753 PolarHBondContact O-N 3.41Å; G750-Q753 PolarHBondContact O-N 3.27Å; Q753-I755 CarbonylContact O-C 3.45Å; Q753-I755 PolarHBondContact O-N 2.91Å
754G52.2Low68.9Low69 Ų6971.8 Ų71.871%0.71142%0.416SS*.THydrogen-bonded Turntrans-60.2-9.9172.100000114.4Q752 V756Q752-G754 PolarHBondContact O-N 3.44Å; G754-V756 PolarHBondContact O-N 3.08Å
755I50.8Low69.2Low135 Ų13571.3 Ų71.369%0.69241%0.412SS*.SBendtrans-80.3101166.3-56170000107Q753Q753-I755 CarbonylContact O-C 3.45Å; Q753-I755 PolarHBondContact O-N 2.91Å
756V46.3Very low69.3Low116 Ų11677.1 Ų77.170%0.70343%0.434SS*.  trans-46.4126.1174.8179.10000108.5G754 T758G754-V756 PolarHBondContact O-N 3.08Å; V756-T758 PolarHBondContact O-N 2.82Å
757P50.1Low69.5Low72 Ų7280.9 Ų80.947%0.46845%0.448SS..  trans-52.1116.6170.6-19.428.4000106.6M732 P759M732-P757 HydrophobicContact CE-CB 3.82Å; M732-P757 HydrophobicContact CE-CG 3.75Å; P757-P759 WeakPolarHBondContact O-CD 3.46Å
758T48.9Very low70Confident124 Ų12481.4 Ų81.476%0.76144%0.443SS*.  trans-53113166.86.10000105V756 H760V756-T758 PolarHBondContact O-N 2.82Å; T758-H760 PolarHBondContact O-N 3.19Å
759P51.1Low70.6Confident108 Ų10878.6 Ų78.670%0.70143%0.431SS*.  trans-53119.8177.619.2-29000105.1P757 N761P757-P759 WeakPolarHBondContact O-CD 3.46Å; P759-N761 PolarHBondContact O-N 2.99Å
760H58.3Low71.1Confident79 Ų7982 Ų8237%0.36645%0.447SS..  trans-55.1112.2176.1-90.4-13.6000105.1T758 Y762 D837 Y841 R877T758-H760 PolarHBondContact O-N 3.19Å; H760-Y762 PolarHBondContact O-N 2.85Å; H760-D837 IonicContact CD2-OD1 2.71Å; H760-D837 IonicContact CD2-OD2 3.58Å; H760-D837 PolarHBondContact CD2-OD2 2.94Å; H760-D837 IonicContact NE2-OD2 3.64Å; H760-D837 PolarHBondContact NE2-OD2 3.49Å; H760-Y841 HydrophobicContact CB-CE2 3.94Å; H760-R877 PolarHBondContact NE2-NH2 3Å
761N70.1Confident71.8Confident103 Ų10385.5 Ų85.555%0.55146%0.455SS*.  trans-7581.2-173.8-160.7-6.6000105.2P759 L763 L764 L765P759-N761 PolarHBondContact O-N 2.99Å; N761-L763 PolarHBondContact O-N 2.83Å; N761-L763 VanDerWaalsContact O-N 3.11Å; N761-L764 HydrophobicContact CB-CB 4.01Å; N761-L764 WeakPolarHBondContact O-CA 3.43Å; N761-L764 VanDerWaalsContact O-CB 3.24Å; N761-L764 WeakPolarHBondContact O-CB 3.37Å; N761-L764 PolarHBondContact O-N 2.88Å; N761-L765 PolarHBondContact O-N 3.28Å
762Y78.4Confident73Confident29 Ų2977.7 Ų77.711%0.11442%0.419CS..Hα-helixtrans-53.3-35.5-172.9158.8-106.1000111H760 L764 L765 R766 Y841 E842H760-Y762 PolarHBondContact O-N 2.85Å; Y762-L764 VanDerWaalsContact C-N 3.32Å; Y762-L764 PolarHBondContact O-N 3.24Å; Y762-L765 PolarHBondContact O-N 2.82Å; Y762-R766 HydrophobicContact CE2-CB 4.33Å; Y762-R766 WeakPolarHBondContact O-CB 3.15Å; Y762-R766 PolarHBondContact O-N 3.5Å; Y762-R766 WeakPolarHBondContact OH-CD 3.5Å; Y762-R766 PolarHBondContact OH-NH1 3.23Å; Y762-Y841 HydrophobicContact CD2-CD2 4.01Å; Y762-Y841 AromaticContact CD2-CG 3.69Å; Y762-Y841 HydrophobicContact CD2-CG 3.69Å; Y762-Y841 VanDerWaalsContact CE2-CB 3.43Å; Y762-Y841 HydrophobicContact CE2-CG 4.44Å; Y762-Y841 HydrophobicContact CG-CD1 4.35Å; Y762-Y841 HydrophobicContact CG-CD2 4.33Å; Y762-Y841 AromaticContact CG-CG 3.9Å; Y762-Y841 HydrophobicContact CG-CG 3.9Å; Y762-E842 WeakPolarHBondContact CE2-OE1 3.49Å; Y762-E842 PolarHBondContact OH-OE1 3.47Å
763L83.6Confident74.3Confident115 Ų11575 Ų7560%0.60241%0.406SS*.Hα-helixtrans-55.7-45.7172-72.4163.2000111.9N761 Q767N761-L763 PolarHBondContact O-N 2.83Å; N761-L763 VanDerWaalsContact O-N 3.11Å; L763-Q767 WeakPolarHBondContact O-CB 3.37Å; L763-Q767 WeakPolarHBondContact O-CG 3.37Å; L763-Q767 PolarHBondContact O-N 2.83Å
764L87.3Confident75.6Confident83 Ų8377.3 Ų77.344%0.43542%0.419SS..Hα-helixtrans-65.9-44.5175.5-178.767.4000111.4N761 Y762 R766 Q767 Q768N761-L764 HydrophobicContact CB-CB 4.01Å; N761-L764 WeakPolarHBondContact O-CA 3.43Å; N761-L764 VanDerWaalsContact O-CB 3.24Å; N761-L764 WeakPolarHBondContact O-CB 3.37Å; N761-L764 PolarHBondContact O-N 2.88Å; Y762-L764 VanDerWaalsContact C-N 3.32Å; Y762-L764 PolarHBondContact O-N 3.24Å; L764-R766 VanDerWaalsContact C-N 3.33Å; L764-R766 PolarHBondContact O-N 3.46Å; L764-Q767 WeakPolarHBondContact O-CB 3.45Å; L764-Q767 PolarHBondContact O-N 3.16Å; L764-Q768 VanDerWaalsContact O-CG 3.3Å; L764-Q768 WeakPolarHBondContact O-CG 3.43Å; L764-Q768 PolarHBondContact O-N 3.33Å
765L88.9Confident77.3Confident19 Ų1977.5 Ų77.510%0.09940%0.4CS..Hα-helixtrans-61.6-43.8179179.459.1000111.2N761 Y762 Q768 V769 V797 T834 F838N761-L765 PolarHBondContact O-N 3.28Å; Y762-L765 PolarHBondContact O-N 2.82Å; L765-Q768 PolarHBondContact O-N 2.97Å; L765-V769 VanDerWaalsContact O-CG2 3.32Å; L765-V769 WeakPolarHBondContact O-CG2 3.21Å; L765-V769 PolarHBondContact O-N 3.21Å; L765-V797 HydrophobicContact CD1-CG1 3.63Å; L765-T834 HydrophobicContact CD1-CG2 3.51Å; L765-T834 HydrophobicContact CD2-CG2 4.33Å; L765-F838 HydrophobicContact CD2-CB 3.92Å; L765-F838 HydrophobicContact CD2-CD2 4.23Å; L765-F838 HydrophobicContact CG-CD2 4.19Å
766R88.5Confident79.1Confident126 Ų12671.9 Ų71.948%0.47537%0.371SS..Hα-helixtrans-65.5-39.6176.5-175.7170.1175.3167.10.5112Y762 L764 V769 E770 E842Y762-R766 HydrophobicContact CE2-CB 4.33Å; Y762-R766 WeakPolarHBondContact O-CB 3.15Å; Y762-R766 PolarHBondContact O-N 3.5Å; Y762-R766 WeakPolarHBondContact OH-CD 3.5Å; Y762-R766 PolarHBondContact OH-NH1 3.23Å; L764-R766 VanDerWaalsContact C-N 3.33Å; L764-R766 PolarHBondContact O-N 3.46Å; R766-V769 PolarHBondContact O-N 3.29Å; R766-E770 WeakPolarHBondContact O-CB 3.25Å; R766-E770 PolarHBondContact O-N 2.98Å; R766-E842 IonicContact NE-OE1 2.66Å; R766-E842 IonicContact NH1-OE1 2.86Å
767Q91.1Very high80.9Confident108 Ų10874 Ų7451%0.50537%0.367SS..Hα-helixtrans-61-45.8172.3-77.2169.7-5.300111.6L763 L764 V769 E770 E771L763-Q767 WeakPolarHBondContact O-CB 3.37Å; L763-Q767 WeakPolarHBondContact O-CG 3.37Å; L763-Q767 PolarHBondContact O-N 2.83Å; L764-Q767 WeakPolarHBondContact O-CB 3.45Å; L764-Q767 PolarHBondContact O-N 3.16Å; Q767-V769 VanDerWaalsContact C-N 3.34Å; Q767-V769 PolarHBondContact O-N 3.44Å; Q767-E770 PolarHBondContact O-N 3.3Å; Q767-E770 VanDerWaalsContact O-N 3.16Å; Q767-E771 WeakPolarHBondContact O-CG 3.31Å; Q767-E771 PolarHBondContact O-N 3.32Å
768Q92.7Very high82.6Confident53 Ų5375.8 Ų75.825%0.24838%0.376CS..Hα-helixtrans-60.6-42.2176.6-73.5173.6-18.700112L764 L765 E770 E771 E772 V797L764-Q768 VanDerWaalsContact O-CG 3.3Å; L764-Q768 WeakPolarHBondContact O-CG 3.43Å; L764-Q768 PolarHBondContact O-N 3.33Å; L765-Q768 PolarHBondContact O-N 2.97Å; Q768-E770 VanDerWaalsContact C-N 3.33Å; Q768-E771 PolarHBondContact O-N 3.42Å; Q768-E772 WeakPolarHBondContact O-CB 3.45Å; Q768-E772 WeakPolarHBondContact O-CG 3.41Å; Q768-E772 PolarHBondContact O-N 3.33Å; Q768-V797 HydrophobicContact CB-CG1 4.22Å
769V93Very high84.3Confident3 Ų372.6 Ų72.62%0.01835%0.352CS..Hα-helixtrans-62.8-41.8175.5173.80000111L765 R766 Q767 Y773 V797 C800 R804 F838L765-V769 VanDerWaalsContact O-CG2 3.32Å; L765-V769 WeakPolarHBondContact O-CG2 3.21Å; L765-V769 PolarHBondContact O-N 3.21Å; R766-V769 PolarHBondContact O-N 3.29Å; Q767-V769 VanDerWaalsContact C-N 3.34Å; Q767-V769 PolarHBondContact O-N 3.44Å; V769-Y773 VanDerWaalsContact O-CB 3.23Å; V769-Y773 WeakPolarHBondContact O-CB 3.29Å; V769-Y773 PolarHBondContact O-N 2.72Å; V769-V797 HydrophobicContact CG2-CB 4.03Å; V769-V797 HydrophobicContact CG2-CG1 4.35Å; V769-C800 HydrophobicContact CG1-CB 4.42Å; V769-C800 HydrophobicContact CG2-CB 3.52Å; V769-R804 HydrophobicContact CG1-CB 4.21Å; V769-R804 HydrophobicContact CG1-CG 4.36Å; V769-F838 HydrophobicContact CB-CE2 4.46Å; V769-F838 HydrophobicContact CG1-CZ 4.4Å; V769-F838 HydrophobicContact CG2-CD2 4.26Å; V769-F838 HydrophobicContact CG2-CE2 4.11Å
770E91.9Very high85.6Confident73 Ų7371.7 Ų71.734%0.34136%0.362SS..Hα-helixtrans-67.7-42.1178.7-168.960.5-151.300112.1R766 Q767 Q768 Y773 I774 R804R766-E770 WeakPolarHBondContact O-CB 3.25Å; R766-E770 PolarHBondContact O-N 2.98Å; Q767-E770 PolarHBondContact O-N 3.3Å; Q767-E770 VanDerWaalsContact O-N 3.16Å; Q768-E770 VanDerWaalsContact C-N 3.33Å; E770-Y773 WeakPolarHBondContact O-CB 3.48Å; E770-Y773 PolarHBondContact O-N 2.73Å; E770-I774 HydrophobicContact CG-CD1 4.27Å; E770-I774 WeakPolarHBondContact O-CG1 3.16Å; E770-I774 PolarHBondContact O-N 3.15Å; E770-R804 IonicContact OE2-NE 2.83Å; E770-R804 IonicContact OE2-NH2 2.92Å
771E91.8Very high86.9Confident103 Ų10370.5 Ų70.548%0.48137%0.366SS..Hα-helixtrans-60.4-47174.6-74.7177.5-168.400111.7Q767 Q768 Y773 I774 K775Q767-E771 WeakPolarHBondContact O-CG 3.31Å; Q767-E771 PolarHBondContact O-N 3.32Å; Q768-E771 PolarHBondContact O-N 3.42Å; E771-Y773 VanDerWaalsContact C-N 3.3Å; E771-Y773 PolarHBondContact O-N 3.38Å; E771-I774 PolarHBondContact O-N 2.94Å; E771-K775 VanDerWaalsContact O-CG 3.29Å; E771-K775 WeakPolarHBondContact O-CG 3.39Å; E771-K775 PolarHBondContact O-N 3.1Å
772E91.5Very high87.8Confident0 Ų069.5 Ų69.50%036%0.36CS..Hα-helixtrans-67.2-31.5176.9-67.1-54.1143.300112.1Q768 K775 H776 Y788 N795 V797Q768-E772 WeakPolarHBondContact O-CB 3.45Å; Q768-E772 WeakPolarHBondContact O-CG 3.41Å; Q768-E772 PolarHBondContact O-N 3.33Å; E772-K775 IonicContact OE1-NZ 2.91Å; E772-K775 PolarHBondContact OE1-NZ 3.34Å; E772-H776 WeakPolarHBondContact O-CB 3.19Å; E772-H776 PolarHBondContact O-N 3.37Å; E772-Y788 VanDerWaalsContact CD-OH 3.31Å; E772-Y788 PolarHBondContact OE1-OH 3.28Å; E772-Y788 WeakPolarHBondContact OE2-CE1 3.37Å; E772-Y788 PolarHBondContact OE2-OH 2.86Å; E772-N795 PolarHBondContact OE1-ND2 3.41Å; E772-V797 HydrophobicContact CB-CG2 4.23Å; E772-V797 HydrophobicContact CG-CG2 3.72Å
773Y91.2Very high88.3Confident9 Ų975 Ų754%0.03539%0.391CS..Hα-helixtrans-66.7-42.7174-178.1-109.5000112.6V769 E770 E771 R777 L801 R804 L805 E808V769-Y773 VanDerWaalsContact O-CB 3.23Å; V769-Y773 WeakPolarHBondContact O-CB 3.29Å; V769-Y773 PolarHBondContact O-N 2.72Å; E770-Y773 WeakPolarHBondContact O-CB 3.48Å; E770-Y773 PolarHBondContact O-N 2.73Å; E771-Y773 VanDerWaalsContact C-N 3.3Å; E771-Y773 PolarHBondContact O-N 3.38Å; Y773-R777 WeakPolarHBondContact O-CG 3.5Å; Y773-R777 PolarHBondContact O-N 3.36Å; Y773-R777 PolarHBondContact OH-NH2 3.08Å; Y773-L801 HydrophobicContact CD2-CD1 3.82Å; Y773-L801 HydrophobicContact CG-CD1 4.36Å; Y773-R804 HydrophobicContact CD2-CG 3.95Å; Y773-R804 HydrophobicContact CE2-CG 4.16Å; Y773-R804 HydrophobicContact CG-CG 4.29Å; Y773-L805 HydrophobicContact CD2-CD2 4.15Å; Y773-L805 HydrophobicContact CD2-CG 4.37Å; Y773-L805 HydrophobicContact CE2-CD2 3.71Å; Y773-L805 HydrophobicContact CE2-CG 4.19Å; Y773-E808 WeakPolarHBondContact OH-CB 3.47Å
774I90.7Very high88.5Confident96 Ų9671.7 Ų71.749%0.49238%0.378SS..Hα-helixtrans-64.7-48.2174.7-66.4165.5000110E770 E771 H776 R777 T778E770-I774 HydrophobicContact CG-CD1 4.27Å; E770-I774 WeakPolarHBondContact O-CG1 3.16Å; E770-I774 PolarHBondContact O-N 3.15Å; E771-I774 PolarHBondContact O-N 2.94Å; I774-H776 PolarHBondContact O-N 2.92Å; I774-R777 PolarHBondContact O-N 3.49Å; I774-T778 PolarHBondContact O-N 2.8Å
775K88.1Confident88.6Confident74 Ų7468.2 Ų68.232%0.32236%0.359SS..Hα-helixtrans-60.2-43.6177-70.4174.6-164.8167.70112.2E771 E772 R777 T778 F779 Y788E771-K775 VanDerWaalsContact O-CG 3.29Å; E771-K775 WeakPolarHBondContact O-CG 3.39Å; E771-K775 PolarHBondContact O-N 3.1Å; E772-K775 IonicContact OE1-NZ 2.91Å; E772-K775 PolarHBondContact OE1-NZ 3.34Å; K775-R777 PolarHBondContact O-N 2.98Å; K775-R777 VanDerWaalsContact O-N 3.1Å; K775-T778 PolarHBondContact O-N 3.49Å; K775-T778 PolarHBondContact O-OG1 2.84Å; K775-F779 HydrophobicContact CB-CE2 4.43Å; K775-F779 WeakPolarHBondContact O-CD2 3.37Å; K775-F779 WeakPolarHBondContact O-CE2 3.42Å; K775-Y788 WeakPolarHBondContact CD-OH 3.35Å; K775-Y788 PolarHBondContact NZ-OH 3.4Å
776H86.8Confident88.7Confident17 Ų1769 Ų698%0.07936%0.363CS..Hα-helixtrans-54.8-33.9178.4179.8-76.4000111.9E772 I774 F789 L801E772-H776 WeakPolarHBondContact O-CB 3.19Å; E772-H776 PolarHBondContact O-N 3.37Å; I774-H776 PolarHBondContact O-N 2.92Å; H776-F789 AromaticContact CD2-CE2 3.92Å; H776-L801 HydrophobicContact CB-CD1 4.38Å; H776-L801 HydrophobicContact CB-CD2 4.14Å
777R84.8Confident88.8Confident161 Ų16167 Ų6761%0.60836%0.362SS*.Hα-helixtrans-78.4-16.9179.2-70.2173.4165.1-156-9.4114.4Y773 I774 K775Y773-R777 WeakPolarHBondContact O-CG 3.5Å; Y773-R777 PolarHBondContact O-N 3.36Å; Y773-R777 PolarHBondContact OH-NH2 3.08Å; I774-R777 PolarHBondContact O-N 3.49Å; K775-R777 PolarHBondContact O-N 2.98Å; K775-R777 VanDerWaalsContact O-N 3.1Å
778T86.3Confident88.9Confident109 Ų10963.5 Ų63.567%0.66934%0.344SS*.Hα-helixtrans-88.1-16.2-179.562.50000113.4I774 K775I774-T778 PolarHBondContact O-N 2.8Å; K775-T778 PolarHBondContact O-N 3.49Å; K775-T778 PolarHBondContact O-OG1 2.84Å
779F84.9Confident88.8Confident57 Ų5761.6 Ų61.625%0.2534%0.335CS..  trans-73.2130.5176.7-67.3-76.9000111.7K775 S784 I785 Y788K775-F779 HydrophobicContact CB-CE2 4.43Å; K775-F779 WeakPolarHBondContact O-CD2 3.37Å; K775-F779 WeakPolarHBondContact O-CE2 3.42Å; F779-S784 WeakPolarHBondContact CD1-OG 3.24Å; F779-I785 HydrophobicContact CB-CD1 3.66Å; F779-I785 HydrophobicContact CB-CG1 3.37Å; F779-I785 HydrophobicContact CD1-CG1 4.36Å; F779-I785 HydrophobicContact CD2-CD1 4.44Å; F779-I785 HydrophobicContact CD2-CG1 3.61Å; F779-I785 HydrophobicContact CE2-CG1 4.48Å; F779-I785 HydrophobicContact CG-CD1 4.34Å; F779-I785 HydrophobicContact CG-CG1 3.55Å; F779-Y788 HydrophobicContact CE1-CG 4.38Å; F779-Y788 HydrophobicContact CE2-CD1 4.05Å; F779-Y788 HydrophobicContact CE2-CE1 4.5Å; F779-Y788 HydrophobicContact CE2-CG 4.22Å; F779-Y788 AromaticContact CZ-CD1 3.85Å; F779-Y788 HydrophobicContact CZ-CD1 3.85Å; F779-Y788 AromaticContact CZ-CD2 3.93Å; F779-Y788 HydrophobicContact CZ-CD2 3.93Å; F779-Y788 HydrophobicContact CZ-CE1 4.44Å; F779-Y788 AromaticContact CZ-CG 3.55Å; F779-Y788 HydrophobicContact CZ-CG 3.55Å
780G78.2Confident88.6Confident88 Ų8862.4 Ų62.491%0.90734%0.34SS*.  trans-91.7-23.5178.100000115.1
781A86.1Confident88.5Confident54 Ų5464.3 Ų64.345%0.44635%0.353SS..SBendtrans-126.6134.5-173.800000112.4L783 S784 I785A781-L783 VanDerWaalsContact C-N 3.26Å; A781-L783 PolarHBondContact O-N 3.02Å; A781-L783 VanDerWaalsContact O-N 3.17Å; A781-S784 PolarHBondContact O-N 2.98Å; A781-S784 PolarHBondContact O-OG 2.67Å; A781-I785 PolarHBondContact O-N 3.34Å
782D87Confident88.3Confident82 Ų8263.4 Ų63.444%0.43935%0.354SS..Hα-helixtrans-52.2-40-179.6-75.9-1.1000113.5S784 I785 I786 V815D782-S784 VanDerWaalsContact C-N 3.31Å; D782-S784 PolarHBondContact O-N 3.3Å; D782-I785 WeakPolarHBondContact O-CB 3.4Å; D782-I785 PolarHBondContact O-N 2.99Å; D782-I786 VanDerWaalsContact O-CG1 3.3Å; D782-I786 WeakPolarHBondContact O-CG1 3.37Å; D782-I786 PolarHBondContact O-N 2.81Å; D782-V815 HydrophobicContact CB-CB 4.42Å; D782-V815 HydrophobicContact CB-CG2 3.77Å
783L88.8Confident88Confident144 Ų14464.6 Ų64.675%0.75436%0.363SS*.Hα-helixtrans-60.7-38.9179.7-75.3165.7000112.6A781 I786 D787A781-L783 VanDerWaalsContact C-N 3.26Å; A781-L783 PolarHBondContact O-N 3.02Å; A781-L783 VanDerWaalsContact O-N 3.17Å; L783-I786 PolarHBondContact O-N 3.06Å; L783-D787 WeakPolarHBondContact O-CB 3.29Å; L783-D787 PolarHBondContact O-N 3.23Å
784S89.5Confident87.5Confident47 Ų4770.5 Ų70.533%0.32940%0.4SS..Hα-helixtrans-70.8-36.2178.7640000112.4F779 A781 D782 Y788F779-S784 WeakPolarHBondContact CD1-OG 3.24Å; A781-S784 PolarHBondContact O-N 2.98Å; A781-S784 PolarHBondContact O-OG 2.67Å; D782-S784 VanDerWaalsContact C-N 3.31Å; D782-S784 PolarHBondContact O-N 3.3Å; S784-Y788 VanDerWaalsContact O-CB 3.28Å; S784-Y788 WeakPolarHBondContact O-CB 3.5Å; S784-Y788 PolarHBondContact O-N 2.61Å
785I89.8Confident87.4Confident10 Ų1067.9 Ų67.95%0.05139%0.387CS..Hα-helixtrans-62-46.9172.7-88.4167.1000110.5F779 A781 D782 Y788 F789 V815 I819F779-I785 HydrophobicContact CB-CD1 3.66Å; F779-I785 HydrophobicContact CB-CG1 3.37Å; F779-I785 HydrophobicContact CD1-CG1 4.36Å; F779-I785 HydrophobicContact CD2-CD1 4.44Å; F779-I785 HydrophobicContact CD2-CG1 3.61Å; F779-I785 HydrophobicContact CE2-CG1 4.48Å; F779-I785 HydrophobicContact CG-CD1 4.34Å; F779-I785 HydrophobicContact CG-CG1 3.55Å; A781-I785 PolarHBondContact O-N 3.34Å; D782-I785 WeakPolarHBondContact O-CB 3.4Å; D782-I785 PolarHBondContact O-N 2.99Å; I785-Y788 PolarHBondContact O-N 2.97Å; I785-F789 HydrophobicContact CG2-CD2 4.33Å; I785-F789 WeakPolarHBondContact O-CD2 3.24Å; I785-F789 PolarHBondContact O-N 3.49Å; I785-F789 VanDerWaalsContact O-N 3.12Å; I785-V815 HydrophobicContact CG2-CG1 4.24Å; I785-V815 HydrophobicContact CG2-CG2 4.13Å; I785-I819 HydrophobicContact CG2-CD1 3.36Å; I785-I819 HydrophobicContact CG2-CG1 4.49Å
786I90.1Very high87.5Confident35 Ų3567 Ų6718%0.17939%0.388CS..Hα-helixtrans-63-51.7-179.2-65.3163.5000110.5D782 L783 Y788 F789 V790 V815 K818 I819D782-I786 VanDerWaalsContact O-CG1 3.3Å; D782-I786 WeakPolarHBondContact O-CG1 3.37Å; D782-I786 PolarHBondContact O-N 2.81Å; L783-I786 PolarHBondContact O-N 3.06Å; I786-Y788 VanDerWaalsContact C-N 3.27Å; I786-Y788 PolarHBondContact O-N 3.38Å; I786-F789 PolarHBondContact O-N 3.32Å; I786-V790 HydrophobicContact CG2-CG2 4.04Å; I786-V790 VanDerWaalsContact O-CB 3.27Å; I786-V790 WeakPolarHBondContact O-CB 3.49Å; I786-V790 WeakPolarHBondContact O-CG2 3.43Å; I786-V790 PolarHBondContact O-N 3.38Å; I786-V815 HydrophobicContact CD1-CG2 3.88Å; I786-V815 HydrophobicContact CG1-CG2 3.75Å; I786-K818 HydrophobicContact CD1-CB 4.04Å; I786-K818 HydrophobicContact CD1-CD 4.18Å; I786-I819 HydrophobicContact CB-CG1 4.29Å; I786-I819 HydrophobicContact CG1-CD1 4.41Å; I786-I819 HydrophobicContact CG1-CG1 3.78Å
787D90.8Very high87.9Confident83 Ų8366.3 Ų66.344%0.44439%0.385SS..Hα-helixtrans-60.2-39.1-179.4-173.858.1000111.9L783 N791 T792L783-D787 WeakPolarHBondContact O-CB 3.29Å; L783-D787 PolarHBondContact O-N 3.23Å; D787-N791 WeakPolarHBondContact O-CA 3.4Å; D787-N791 WeakPolarHBondContact O-CB 3.48Å; D787-N791 PolarHBondContact O-N 2.5Å; D787-N791 PolarHBondContact OD1-ND2 3.4Å; D787-T792 PolarHBondContact O-N 3.25Å
788Y92.6Very high88.4Confident36 Ų3658.8 Ų58.814%0.14136%0.356CS..Iπ-helixtrans-62.2-52.8177.6176.7-97.5000112.3E772 K775 F779 S784 I785 I786 V790 T792 S793E772-Y788 VanDerWaalsContact CD-OH 3.31Å; E772-Y788 PolarHBondContact OE1-OH 3.28Å; E772-Y788 WeakPolarHBondContact OE2-CE1 3.37Å; E772-Y788 PolarHBondContact OE2-OH 2.86Å; K775-Y788 WeakPolarHBondContact CD-OH 3.35Å; K775-Y788 PolarHBondContact NZ-OH 3.4Å; F779-Y788 HydrophobicContact CE1-CG 4.38Å; F779-Y788 HydrophobicContact CE2-CD1 4.05Å; F779-Y788 HydrophobicContact CE2-CE1 4.5Å; F779-Y788 HydrophobicContact CE2-CG 4.22Å; F779-Y788 AromaticContact CZ-CD1 3.85Å; F779-Y788 HydrophobicContact CZ-CD1 3.85Å; F779-Y788 AromaticContact CZ-CD2 3.93Å; F779-Y788 HydrophobicContact CZ-CD2 3.93Å; F779-Y788 HydrophobicContact CZ-CE1 4.44Å; F779-Y788 AromaticContact CZ-CG 3.55Å; F779-Y788 HydrophobicContact CZ-CG 3.55Å; S784-Y788 VanDerWaalsContact O-CB 3.28Å; S784-Y788 WeakPolarHBondContact O-CB 3.5Å; S784-Y788 PolarHBondContact O-N 2.61Å; I785-Y788 PolarHBondContact O-N 2.97Å; I786-Y788 VanDerWaalsContact C-N 3.27Å; I786-Y788 PolarHBondContact O-N 3.38Å; Y788-V790 PolarHBondContact O-N 3.5Å; Y788-T792 HydrophobicContact CD2-CG2 3.86Å; Y788-T792 HydrophobicContact CE2-CG2 4.16Å; Y788-T792 CarbonylContact O-C 3.58Å; Y788-T792 WeakPolarHBondContact O-CA 3.3Å; Y788-T792 WeakPolarHBondContact O-CB 3.25Å; Y788-T792 PolarHBondContact O-N 2.88Å; Y788-S793 WeakPolarHBondContact O-CB 3.5Å; Y788-S793 PolarHBondContact O-N 3.49Å
789F90.6Very high88.9Confident12 Ų1253.6 Ų53.65%0.05333%0.325CS..Iπ-helixtrans-75.6-22.8-177-74.8-68.6000114.3H776 I785 I786 Y798 L801 I819H776-F789 AromaticContact CD2-CE2 3.92Å; I785-F789 HydrophobicContact CG2-CD2 4.33Å; I785-F789 WeakPolarHBondContact O-CD2 3.24Å; I785-F789 PolarHBondContact O-N 3.49Å; I785-F789 VanDerWaalsContact O-N 3.12Å; I786-F789 PolarHBondContact O-N 3.32Å; F789-Y798 HydrophobicContact CB-CD2 4.19Å; F789-Y798 HydrophobicContact CB-CE2 4.26Å; F789-Y798 AromaticContact CD1-CD2 3.46Å; F789-Y798 HydrophobicContact CD1-CD2 3.46Å; F789-Y798 VanDerWaalsContact CD1-CD2 3.46Å; F789-Y798 HydrophobicContact CD1-CE2 4.03Å; F789-Y798 HydrophobicContact CD1-CG 4.36Å; F789-Y798 HydrophobicContact CD2-CD2 4.12Å; F789-Y798 AromaticContact CD2-CE2 3.8Å; F789-Y798 HydrophobicContact CD2-CE2 3.8Å; F789-Y798 AromaticContact CE1-CD2 3.8Å; F789-Y798 HydrophobicContact CE1-CD2 3.8Å; F789-Y798 HydrophobicContact CE1-CE2 4.35Å; F789-Y798 HydrophobicContact CE2-CD2 4.41Å; F789-Y798 HydrophobicContact CE2-CE2 4.15Å; F789-Y798 AromaticContact CG-CD2 3.64Å; F789-Y798 HydrophobicContact CG-CD2 3.64Å; F789-Y798 AromaticContact CG-CE2 3.75Å; F789-Y798 HydrophobicContact CG-CE2 3.75Å; F789-Y798 HydrophobicContact CZ-CD2 4.27Å; F789-Y798 HydrophobicContact CZ-CE2 4.41Å; F789-L801 HydrophobicContact CE1-CD2 3.84Å; F789-L801 HydrophobicContact CE2-CD2 4.11Å; F789-L801 HydrophobicContact CZ-CD2 3.38Å; F789-I819 HydrophobicContact CB-CD1 4.23Å; F789-I819 HydrophobicContact CB-CG2 3.92Å; F789-I819 HydrophobicContact CD2-CD1 3.9Å; F789-I819 HydrophobicContact CG-CD1 4.44Å
790V89.7Confident89.5Confident20 Ų2050.9 Ų50.912%0.12131%0.313CS..Iπ-helixtrans-89.7-38.6-178.9178.30000112.1I786 Y788 I819 A822 L823 R827I786-V790 HydrophobicContact CG2-CG2 4.04Å; I786-V790 VanDerWaalsContact O-CB 3.27Å; I786-V790 WeakPolarHBondContact O-CB 3.49Å; I786-V790 WeakPolarHBondContact O-CG2 3.43Å; I786-V790 PolarHBondContact O-N 3.38Å; Y788-V790 PolarHBondContact O-N 3.5Å; V790-I819 HydrophobicContact CG2-CG2 4.22Å; V790-A822 HydrophobicContact CG1-CB 4.2Å; V790-A822 HydrophobicContact CG2-CB 3.59Å; V790-L823 HydrophobicContact CG2-CG 4.48Å; V790-R827 PolarHBondContact O-NH1 3.07Å
791N88.8Confident90.3Very high113 Ų11346.7 Ų46.760%0.60427%0.27SS*.Iπ-helixtrans-119.4-32.5-169.9-61.1-42.2000114.4D787D787-N791 WeakPolarHBondContact O-CA 3.4Å; D787-N791 WeakPolarHBondContact O-CB 3.48Å; D787-N791 PolarHBondContact O-N 2.5Å; D787-N791 PolarHBondContact OD1-ND2 3.4Å
792T87.8Confident90.9Very high84 Ų8444.1 Ų44.152%0.51525%0.248SC..Iπ-helixtrans-95.4-43.4-171.4-54.20000113.1D787 Y788D787-T792 PolarHBondContact O-N 3.25Å; Y788-T792 HydrophobicContact CD2-CG2 3.86Å; Y788-T792 HydrophobicContact CE2-CG2 4.16Å; Y788-T792 CarbonylContact O-C 3.58Å; Y788-T792 WeakPolarHBondContact O-CA 3.3Å; Y788-T792 WeakPolarHBondContact O-CB 3.25Å; Y788-T792 PolarHBondContact O-N 2.88Å
793S84.9Confident91.3Very high26 Ų2640.2 Ų40.218%0.18223%0.228CC..  trans-75.1127.9-174.9-172.10000110.9Y788 N795Y788-S793 WeakPolarHBondContact O-CB 3.5Å; Y788-S793 PolarHBondContact O-N 3.49Å; S793-N795 PolarHBondContact OG-N 3.4Å
794T82Confident91.6Very high133 Ų13335.7 Ų35.782%0.81620%0.2SC*.  trans-92.1-1.5171.857.20000112.5
795N88Confident91.9Very high41 Ų4133.9 Ų33.922%0.21919%0.187CC..  trans-82.5135.9-175.4-68.9-28000111.2E772 S793 V797 H831E772-N795 PolarHBondContact OE1-ND2 3.41Å; S793-N795 PolarHBondContact OG-N 3.4Å; N795-V797 HydrophobicContact CB-CG2 4.06Å; N795-V797 PolarHBondContact O-N 3.48Å; N795-H831 PolarHBondContact O-CE1 2.99Å
796T90.6Very high92.1Very high56 Ų5633.6 Ų33.634%0.34419%0.185SC..SBendtrans-89.521.9178.861.60000113.1I830 H831 T834T796-I830 HydrophobicContact CG2-CG2 3.54Å; T796-H831 WeakPolarHBondContact CA-ND1 3.34Å; T796-H831 WeakPolarHBondContact O-CA 3.44Å; T796-H831 PolarHBondContact O-ND1 2.77Å; T796-T834 WeakPolarHBondContact O-CB 3.46Å; T796-T834 PolarHBondContact O-OG1 3.18Å; T796-T834 PolarHBondContact OG1-OG1 2.91Å
797V93.9Very high92.3Very high2 Ų233.9 Ų33.91%0.01219%0.185CC..  trans-96.75.8-170.2-54.10000115.1L765 Q768 V769 E772 N795 L799 C800 L801 T834L765-V797 HydrophobicContact CD1-CG1 3.63Å; Q768-V797 HydrophobicContact CB-CG1 4.22Å; V769-V797 HydrophobicContact CG2-CB 4.03Å; V769-V797 HydrophobicContact CG2-CG1 4.35Å; E772-V797 HydrophobicContact CB-CG2 4.23Å; E772-V797 HydrophobicContact CG-CG2 3.72Å; N795-V797 HydrophobicContact CB-CG2 4.06Å; N795-V797 PolarHBondContact O-N 3.48Å; V797-L799 PolarHBondContact O-N 3.31Å; V797-C800 HydrophobicContact CB-CB 4.4Å; V797-C800 CarbonylContact O-C 3.55Å; V797-C800 WeakPolarHBondContact O-CA 3.29Å; V797-C800 VanDerWaalsContact O-CB 3.22Å; V797-C800 WeakPolarHBondContact O-CB 3.41Å; V797-C800 PolarHBondContact O-N 3.45Å; V797-L801 PolarHBondContact O-N 3.02Å; V797-T834 HydrophobicContact CG1-CG2 4.13Å
798Y95.9Very high92.4Very high2 Ų234 Ų341%0.00818%0.183CC..Hα-helixtrans-57.1-42.1-172.8-172.9-113.1000114F789 C800 L801 L802 S816 I819 L820 L823 H831F789-Y798 HydrophobicContact CB-CD2 4.19Å; F789-Y798 HydrophobicContact CB-CE2 4.26Å; F789-Y798 AromaticContact CD1-CD2 3.46Å; F789-Y798 HydrophobicContact CD1-CD2 3.46Å; F789-Y798 VanDerWaalsContact CD1-CD2 3.46Å; F789-Y798 HydrophobicContact CD1-CE2 4.03Å; F789-Y798 HydrophobicContact CD1-CG 4.36Å; F789-Y798 HydrophobicContact CD2-CD2 4.12Å; F789-Y798 AromaticContact CD2-CE2 3.8Å; F789-Y798 HydrophobicContact CD2-CE2 3.8Å; F789-Y798 AromaticContact CE1-CD2 3.8Å; F789-Y798 HydrophobicContact CE1-CD2 3.8Å; F789-Y798 HydrophobicContact CE1-CE2 4.35Å; F789-Y798 HydrophobicContact CE2-CD2 4.41Å; F789-Y798 HydrophobicContact CE2-CE2 4.15Å; F789-Y798 AromaticContact CG-CD2 3.64Å; F789-Y798 HydrophobicContact CG-CD2 3.64Å; F789-Y798 AromaticContact CG-CE2 3.75Å; F789-Y798 HydrophobicContact CG-CE2 3.75Å; F789-Y798 HydrophobicContact CZ-CD2 4.27Å; F789-Y798 HydrophobicContact CZ-CE2 4.41Å; Y798-C800 VanDerWaalsContact C-N 3.32Å; Y798-C800 PolarHBondContact O-N 2.98Å; Y798-L801 HydrophobicContact CD2-CD2 4.12Å; Y798-L801 HydrophobicContact CE2-CD2 4.26Å; Y798-L801 WeakPolarHBondContact O-CB 3.3Å; Y798-L801 PolarHBondContact O-N 3.3Å; Y798-L802 HydrophobicContact CD1-CD1 4.4Å; Y798-L802 HydrophobicContact CD1-CG 4.38Å; Y798-L802 HydrophobicContact CE1-CD1 3.92Å; Y798-L802 HydrophobicContact CE1-CD2 4Å; Y798-L802 HydrophobicContact CE1-CG 4.05Å; Y798-L802 HydrophobicContact CE2-CD2 4.1Å; Y798-L802 WeakPolarHBondContact O-CG 3.24Å; Y798-L802 PolarHBondContact O-N 3.43Å; Y798-S816 WeakPolarHBondContact OH-CA 3.25Å; Y798-I819 HydrophobicContact CD1-CG2 4.06Å; Y798-I819 HydrophobicContact CE1-CB 3.9Å; Y798-I819 HydrophobicContact CE1-CG2 3.43Å; Y798-I819 VanDerWaalsContact CE1-CG2 3.43Å; Y798-I819 HydrophobicContact CE2-CD1 3.93Å; Y798-I819 HydrophobicContact CE2-CG2 4.05Å; Y798-I819 VanDerWaalsContact CZ-CG2 3.44Å; Y798-I819 VanDerWaalsContact OH-CB 3.3Å; Y798-I819 WeakPolarHBondContact OH-CB 3.43Å; Y798-I819 WeakPolarHBondContact OH-CD1 3.29Å; Y798-L820 HydrophobicContact CD1-CD2 4.27Å; Y798-L820 HydrophobicContact CE1-CD2 4.05Å; Y798-L820 HydrophobicContact CE1-CG 4.4Å; Y798-L823 HydrophobicContact CD1-CD1 3.9Å; Y798-L823 HydrophobicContact CE1-CD1 4.42Å; Y798-H831 PolarHBondContact N-ND1 3.25Å
799L97.1Very high92.4Very high1 Ų136 Ų361%0.00520%0.199CC..Hα-helixtrans-67.8-31.4175.2-68.9-169.1000113.1V797 L801 L802 W803 L820 V828 H831 L832 L835 V864V797-L799 PolarHBondContact O-N 3.31Å; L799-L801 VanDerWaalsContact C-N 3.34Å; L799-L802 HydrophobicContact CD2-CD1 3.94Å; L799-L802 PolarHBondContact O-N 3.03Å; L799-W803 PolarHBondContact O-N 3.18Å; L799-L820 HydrophobicContact CD2-CD2 3.73Å; L799-V828 HydrophobicContact CD1-CG1 4.12Å; L799-H831 HydrophobicContact CB-CB 4.11Å; L799-H831 HydrophobicContact CD1-CB 4.02Å; L799-H831 HydrophobicContact CG-CB 3.64Å; L799-L832 HydrophobicContact CD1-CB 3.97Å; L799-L832 HydrophobicContact CD1-CD1 4.23Å; L799-L835 HydrophobicContact CB-CB 4.03Å; L799-L835 HydrophobicContact CB-CD2 4.05Å; L799-L835 HydrophobicContact CD1-CD2 4.5Å; L799-V864 HydrophobicContact CD2-CG1 3.51Å
800C96.5Very high92.4Very high0 Ų036.5 Ų36.50%021%0.207CC..Hα-helixtrans-64.5-40.6171-49.10000111V769 V797 Y798 W803 R804 L835 F838V769-C800 HydrophobicContact CG1-CB 4.42Å; V769-C800 HydrophobicContact CG2-CB 3.52Å; V797-C800 HydrophobicContact CB-CB 4.4Å; V797-C800 CarbonylContact O-C 3.55Å; V797-C800 WeakPolarHBondContact O-CA 3.29Å; V797-C800 VanDerWaalsContact O-CB 3.22Å; V797-C800 WeakPolarHBondContact O-CB 3.41Å; V797-C800 PolarHBondContact O-N 3.45Å; Y798-C800 VanDerWaalsContact C-N 3.32Å; Y798-C800 PolarHBondContact O-N 2.98Å; C800-W803 PolarHBondContact O-N 3.49Å; C800-R804 WeakPolarHBondContact O-CB 3.42Å; C800-R804 PolarHBondContact O-N 3.23Å; C800-L835 VanDerWaalsContact SG-CA 3.54Å; C800-F838 HydrophobicContact CB-CD1 4.1Å; C800-F838 HydrophobicContact CB-CG 4.18Å
801L96.1Very high92.5Very high0 Ų042 Ų420%023%0.231CC..Hα-helixtrans-61.6-44.9173.3171.165.4000111.5Y773 H776 F789 V797 Y798 L799 W803 R804 L805Y773-L801 HydrophobicContact CD2-CD1 3.82Å; Y773-L801 HydrophobicContact CG-CD1 4.36Å; H776-L801 HydrophobicContact CB-CD1 4.38Å; H776-L801 HydrophobicContact CB-CD2 4.14Å; F789-L801 HydrophobicContact CE1-CD2 3.84Å; F789-L801 HydrophobicContact CE2-CD2 4.11Å; F789-L801 HydrophobicContact CZ-CD2 3.38Å; V797-L801 PolarHBondContact O-N 3.02Å; Y798-L801 HydrophobicContact CD2-CD2 4.12Å; Y798-L801 HydrophobicContact CE2-CD2 4.26Å; Y798-L801 WeakPolarHBondContact O-CB 3.3Å; Y798-L801 PolarHBondContact O-N 3.3Å; L799-L801 VanDerWaalsContact C-N 3.34Å; L801-W803 VanDerWaalsContact C-N 3.33Å; L801-W803 PolarHBondContact O-N 3.02Å; L801-R804 WeakPolarHBondContact O-CB 3.48Å; L801-R804 PolarHBondContact O-N 3.4Å; L801-R804 VanDerWaalsContact O-N 3.17Å; L801-L805 HydrophobicContact CD1-CD1 4.29Å; L801-L805 HydrophobicContact CD1-CG 4.3Å; L801-L805 HydrophobicContact CG-CD1 4.15Å; L801-L805 WeakPolarHBondContact O-CG 3.28Å; L801-L805 PolarHBondContact O-N 2.9Å
802L97.4Very high92.8Very high0 Ų037.2 Ų37.20%021%0.206CC..Hα-helixtrans-60.2-44.3175.6-62.3-166.5000111.4Y798 L799 R804 L805 V806 L812 S816 L820 M858 V864Y798-L802 HydrophobicContact CD1-CD1 4.4Å; Y798-L802 HydrophobicContact CD1-CG 4.38Å; Y798-L802 HydrophobicContact CE1-CD1 3.92Å; Y798-L802 HydrophobicContact CE1-CD2 4Å; Y798-L802 HydrophobicContact CE1-CG 4.05Å; Y798-L802 HydrophobicContact CE2-CD2 4.1Å; Y798-L802 WeakPolarHBondContact O-CG 3.24Å; Y798-L802 PolarHBondContact O-N 3.43Å; L799-L802 HydrophobicContact CD2-CD1 3.94Å; L799-L802 PolarHBondContact O-N 3.03Å; L802-R804 VanDerWaalsContact C-N 3.32Å; L802-R804 PolarHBondContact O-N 2.79Å; L802-L805 HydrophobicContact CD2-CD1 4.37Å; L802-L805 PolarHBondContact O-N 3.14Å; L802-V806 WeakPolarHBondContact O-CG2 3.44Å; L802-V806 PolarHBondContact O-N 2.91Å; L802-V806 VanDerWaalsContact O-N 3.09Å; L802-L812 HydrophobicContact CB-CD1 3.99Å; L802-L812 HydrophobicContact CD2-CD1 3.82Å; L802-L812 HydrophobicContact CG-CD1 4.34Å; L802-S816 WeakPolarHBondContact CD2-OG 3.31Å; L802-L820 HydrophobicContact CD1-CD1 4.25Å; L802-L820 HydrophobicContact CD1-CD2 4.27Å; L802-L820 HydrophobicContact CD1-CG 4.44Å; L802-M858 HydrophobicContact CB-CE 3.89Å; L802-V864 HydrophobicContact CD1-CG1 4.11Å; L802-V864 HydrophobicContact CD1-CG2 4.43Å
803W96.4Very high93Very high0 Ų035.3 Ų35.30%020%0.195CC..Hα-helixtrans-59.1-45.1174.2-177.595.4000111.3L799 C800 L801 L805 V806 Y807 L835 F838 L839 C851 V854 M858L799-W803 PolarHBondContact O-N 3.18Å; C800-W803 PolarHBondContact O-N 3.49Å; L801-W803 VanDerWaalsContact C-N 3.33Å; L801-W803 PolarHBondContact O-N 3.02Å; W803-L805 PolarHBondContact O-N 3.45Å; W803-V806 PolarHBondContact O-N 2.95Å; W803-Y807 AromaticContact CH2-CD2 3.26Å; W803-Y807 HydrophobicContact CH2-CD2 3.26Å; W803-Y807 AromaticContact CH2-CE2 3.68Å; W803-Y807 HydrophobicContact CH2-CE2 3.68Å; W803-Y807 AromaticContact CH2-CG 3.84Å; W803-Y807 HydrophobicContact CH2-CG 3.84Å; W803-Y807 AromaticContact CZ2-CD2 3.53Å; W803-Y807 HydrophobicContact CZ2-CD2 3.53Å; W803-Y807 HydrophobicContact CZ2-CE2 4.06Å; W803-Y807 HydrophobicContact CZ2-CG 4.37Å; W803-Y807 AromaticContact CZ3-CD2 3.83Å; W803-Y807 HydrophobicContact CZ3-CD2 3.83Å; W803-Y807 AromaticContact CZ3-CG 3.92Å; W803-Y807 HydrophobicContact CZ3-CG 3.92Å; W803-Y807 VanDerWaalsContact O-CB 3.28Å; W803-Y807 WeakPolarHBondContact O-CB 3.24Å; W803-Y807 PolarHBondContact O-N 3.19Å; W803-L835 HydrophobicContact CB-CD1 3.95Å; W803-L835 HydrophobicContact CG-CD1 4.31Å; W803-F838 HydrophobicContact CD2-CE1 4.35Å; W803-F838 AromaticContact CE3-CE1 3.64Å; W803-F838 HydrophobicContact CE3-CE1 3.64Å; W803-F838 HydrophobicContact CE3-CZ 4.46Å; W803-F838 AromaticContact CZ3-CE1 3.76Å; W803-F838 HydrophobicContact CZ3-CE1 3.76Å; W803-F838 HydrophobicContact CZ3-CZ 4.3Å; W803-L839 HydrophobicContact CD2-CD2 4.22Å; W803-L839 HydrophobicContact CG-CD2 4.25Å; W803-L839 HydrophobicContact CZ2-CD2 4.13Å; W803-C851 HydrophobicContact CZ2-CB 3.99Å; W803-C851 PolarHBondContact NE1-O 2.94Å; W803-V854 VanDerWaalsContact CD1-CG1 3.48Å; W803-V854 HydrophobicContact CD2-CG1 4.16Å; W803-V854 HydrophobicContact CG-CG1 3.93Å; W803-M858 WeakPolarHBondContact CA-SD 3.33Å; W803-M858 HydrophobicContact CB-CE 4.26Å; W803-M858 HydrophobicContact CB-SD 3.59Å; W803-M858 VanDerWaalsContact CB-SD 3.59Å; W803-M858 HydrophobicContact CG-SD 4.06Å
804R94.6Very high93.4Very high49 Ų4935.2 Ų35.219%0.18519%0.194CC..Hα-helixtrans-61.6-42.5178.7-173.267.6174139.513.6112.1V769 E770 Y773 C800 L801 L802 Y807 E808V769-R804 HydrophobicContact CG1-CB 4.21Å; V769-R804 HydrophobicContact CG1-CG 4.36Å; E770-R804 IonicContact OE2-NE 2.83Å; E770-R804 IonicContact OE2-NH2 2.92Å; Y773-R804 HydrophobicContact CD2-CG 3.95Å; Y773-R804 HydrophobicContact CE2-CG 4.16Å; Y773-R804 HydrophobicContact CG-CG 4.29Å; C800-R804 WeakPolarHBondContact O-CB 3.42Å; C800-R804 PolarHBondContact O-N 3.23Å; L801-R804 WeakPolarHBondContact O-CB 3.48Å; L801-R804 PolarHBondContact O-N 3.4Å; L801-R804 VanDerWaalsContact O-N 3.17Å; L802-R804 VanDerWaalsContact C-N 3.32Å; L802-R804 PolarHBondContact O-N 2.79Å; R804-Y807 PolarHBondContact O-N 2.97Å; R804-E808 IonicContact CZ-OE1 3.99Å; R804-E808 IonicContact NH1-OE1 3Å; R804-E808 PolarHBondContact NH1-OE1 3.22Å; R804-E808 IonicContact NH2-OE1 3.94Å; R804-E808 PolarHBondContact NH2-OE1 2.92Å; R804-E808 WeakPolarHBondContact O-CB 3.49Å; R804-E808 WeakPolarHBondContact O-CG 3.17Å; R804-E808 PolarHBondContact O-N 3.41Å
805L95.4Very high93.9Very high9 Ų929 Ų295%0.04716%0.156CC..Hα-helixtrans-60-47.5175.9-76.3164.2000111.4Y773 L801 L802 W803 Y807 E808 T809 L812 P813Y773-L805 HydrophobicContact CD2-CD2 4.15Å; Y773-L805 HydrophobicContact CD2-CG 4.37Å; Y773-L805 HydrophobicContact CE2-CD2 3.71Å; Y773-L805 HydrophobicContact CE2-CG 4.19Å; L801-L805 HydrophobicContact CD1-CD1 4.29Å; L801-L805 HydrophobicContact CD1-CG 4.3Å; L801-L805 HydrophobicContact CG-CD1 4.15Å; L801-L805 WeakPolarHBondContact O-CG 3.28Å; L801-L805 PolarHBondContact O-N 2.9Å; L802-L805 HydrophobicContact CD2-CD1 4.37Å; L802-L805 PolarHBondContact O-N 3.14Å; W803-L805 PolarHBondContact O-N 3.45Å; L805-Y807 VanDerWaalsContact C-N 3.33Å; L805-E808 PolarHBondContact O-N 3.38Å; L805-T809 WeakPolarHBondContact O-CB 3.27Å; L805-T809 PolarHBondContact O-N 2.93Å; L805-T809 PolarHBondContact O-OG1 3.13Å; L805-L812 HydrophobicContact CB-CD1 4.4Å; L805-P813 HydrophobicContact CD1-CG 4.46Å
806V95.5Very high94.3Very high3 Ų327.1 Ų27.12%0.01815%0.146CC..Hα-helixtrans-68.1-35.7177.4-178.40000111.2L802 W803 G810 L812 V854 R857 M858 Y862L802-V806 WeakPolarHBondContact O-CG2 3.44Å; L802-V806 PolarHBondContact O-N 2.91Å; L802-V806 VanDerWaalsContact O-N 3.09Å; W803-V806 PolarHBondContact O-N 2.95Å; V806-G810 WeakPolarHBondContact O-CA 3.45Å; V806-G810 PolarHBondContact O-N 3.02Å; V806-L812 HydrophobicContact CG2-CB 4.1Å; V806-L812 HydrophobicContact CG2-CD1 3.95Å; V806-V854 HydrophobicContact CB-CG1 3.85Å; V806-V854 HydrophobicContact CG1-CG1 3.83Å; V806-R857 HydrophobicContact CG1-CB 4.49Å; V806-M858 HydrophobicContact CG2-CG 4.37Å; V806-Y862 HydrophobicContact CG1-CE2 4.27Å; V806-Y862 HydrophobicContact CG2-CD2 4.2Å; V806-Y862 HydrophobicContact CG2-CE2 3.85Å
807Y93.5Very high94.5Very high41 Ų4124.4 Ų24.416%0.16113%0.13CC..Hα-helixtrans-63.2-43178-174-83.1000112.5W803 R804 L805 R850 V854W803-Y807 AromaticContact CH2-CD2 3.26Å; W803-Y807 HydrophobicContact CH2-CD2 3.26Å; W803-Y807 AromaticContact CH2-CE2 3.68Å; W803-Y807 HydrophobicContact CH2-CE2 3.68Å; W803-Y807 AromaticContact CH2-CG 3.84Å; W803-Y807 HydrophobicContact CH2-CG 3.84Å; W803-Y807 AromaticContact CZ2-CD2 3.53Å; W803-Y807 HydrophobicContact CZ2-CD2 3.53Å; W803-Y807 HydrophobicContact CZ2-CE2 4.06Å; W803-Y807 HydrophobicContact CZ2-CG 4.37Å; W803-Y807 AromaticContact CZ3-CD2 3.83Å; W803-Y807 HydrophobicContact CZ3-CD2 3.83Å; W803-Y807 AromaticContact CZ3-CG 3.92Å; W803-Y807 HydrophobicContact CZ3-CG 3.92Å; W803-Y807 VanDerWaalsContact O-CB 3.28Å; W803-Y807 WeakPolarHBondContact O-CB 3.24Å; W803-Y807 PolarHBondContact O-N 3.19Å; R804-Y807 PolarHBondContact O-N 2.97Å; L805-Y807 VanDerWaalsContact C-N 3.33Å; Y807-R850 HydrophobicContact CD2-CG 4.22Å; Y807-R850 HydrophobicContact CE2-CB 4.37Å; Y807-R850 HydrophobicContact CE2-CG 3.66Å; Y807-R850 PolarHBondContact O-NH2 3Å; Y807-V854 HydrophobicContact CD2-CG2 3.95Å; Y807-V854 HydrophobicContact CG-CG2 4.46Å
808E92.5Very high94.5Very high87 Ų8728 Ų2841%0.40715%0.145SC..Hα-helixtrans-85.9-41.9-176.8-71.3-64.7158.900113.1Y773 R804 L805Y773-E808 WeakPolarHBondContact OH-CB 3.47Å; R804-E808 IonicContact CZ-OE1 3.99Å; R804-E808 IonicContact NH1-OE1 3Å; R804-E808 PolarHBondContact NH1-OE1 3.22Å; R804-E808 IonicContact NH2-OE1 3.94Å; R804-E808 PolarHBondContact NH2-OE1 2.92Å; R804-E808 WeakPolarHBondContact O-CB 3.49Å; R804-E808 WeakPolarHBondContact O-CG 3.17Å; R804-E808 PolarHBondContact O-N 3.41Å; L805-E808 PolarHBondContact O-N 3.38Å
809T92.5Very high94.5Very high78 Ų7827.9 Ų27.948%0.47915%0.145SC..Hα-helixtrans-103.8-16.8-172.572.60000113.8L805 E811L805-T809 WeakPolarHBondContact O-CB 3.27Å; L805-T809 PolarHBondContact O-N 2.93Å; L805-T809 PolarHBondContact O-OG1 3.13Å; T809-E811 PolarHBondContact O-N 3.27Å; T809-E811 PolarHBondContact OG1-N 3.39Å; T809-E811 PolarHBondContact OG1-O 3.34Å
810G91.8Very high94.4Very high22 Ų2227.9 Ų27.923%0.22714%0.144CC..SBendtrans77.4-12.3-172.800000114.7V806 Y862V806-G810 WeakPolarHBondContact O-CA 3.45Å; V806-G810 PolarHBondContact O-N 3.02Å; G810-Y862 PolarHBondContact O-OH 3.47Å
811E92.3Very high94.2Very high134 Ų13432 Ų3263%0.62616%0.163SC*.  trans-124.7161.6-175.1-63.4-165.6160.200112.2T809 Y862T809-E811 PolarHBondContact O-N 3.27Å; T809-E811 PolarHBondContact OG1-N 3.39Å; T809-E811 PolarHBondContact OG1-O 3.34Å; E811-Y862 WeakPolarHBondContact CA-OH 3.16Å
812L94.1Very high94.1Very high13 Ų1333.8 Ų33.87%0.06818%0.179CC..  trans-120.1128.2177-165.965000108.9L802 L805 V806 S814 M817 Y862 V864L802-L812 HydrophobicContact CB-CD1 3.99Å; L802-L812 HydrophobicContact CD2-CD1 3.82Å; L802-L812 HydrophobicContact CG-CD1 4.34Å; L805-L812 HydrophobicContact CB-CD1 4.4Å; V806-L812 HydrophobicContact CG2-CB 4.1Å; V806-L812 HydrophobicContact CG2-CD1 3.95Å; L812-S814 PolarHBondContact O-N 3.36Å; L812-M817 HydrophobicContact CD2-CE 3.61Å; L812-Y862 HydrophobicContact CB-CD1 4.31Å; L812-Y862 HydrophobicContact CB-CD2 4Å; L812-Y862 HydrophobicContact CB-CE1 4.15Å; L812-Y862 HydrophobicContact CB-CE2 3.86Å; L812-Y862 HydrophobicContact CB-CG 4.23Å; L812-Y862 HydrophobicContact CD2-CD2 4.15Å; L812-Y862 HydrophobicContact CD2-CG 4.05Å; L812-V864 HydrophobicContact CD2-CG2 4.04Å
813P92.5Very high93.8Very high44 Ų4434.3 Ų34.329%0.28618%0.181SC..  trans-57.1137.4173.6-25.535.6000111.4L805 V815 S816L805-P813 HydrophobicContact CD1-CG 4.46Å; P813-V815 VanDerWaalsContact C-N 3.26Å; P813-V815 HydrophobicContact CB-CG1 3.92Å; P813-V815 PolarHBondContact O-N 3.05Å; P813-S816 WeakPolarHBondContact O-CB 3.18Å; P813-S816 PolarHBondContact O-N 3.35Å; P813-S816 PolarHBondContact O-OG 3.31Å
814S92.3Very high93.6Very high24 Ų2434.5 Ų34.517%0.16818%0.183CC..THydrogen-bonded Turntrans-64.1-33.2-177.566.60000112.3L812 S816 M817 Y942 N946L812-S814 PolarHBondContact O-N 3.36Å; S814-S816 PolarHBondContact O-N 3.44Å; S814-M817 PolarHBondContact O-N 3.22Å; S814-Y942 WeakPolarHBondContact O-CD2 3.29Å; S814-N946 WeakPolarHBondContact CB-ND2 3.45Å; S814-N946 WeakPolarHBondContact CB-OD1 3.03Å; S814-N946 PolarHBondContact OG-ND2 3.39Å; S814-N946 PolarHBondContact OG-OD1 2.98Å
815V93.4Very high93.4Very high4 Ų432.1 Ų32.12%0.02417%0.174CC..Hα-helixtrans-51.4-26.417369.70000113.1D782 I785 I786 P813 M817 K818 I819D782-V815 HydrophobicContact CB-CB 4.42Å; D782-V815 HydrophobicContact CB-CG2 3.77Å; I785-V815 HydrophobicContact CG2-CG1 4.24Å; I785-V815 HydrophobicContact CG2-CG2 4.13Å; I786-V815 HydrophobicContact CD1-CG2 3.88Å; I786-V815 HydrophobicContact CG1-CG2 3.75Å; P813-V815 VanDerWaalsContact C-N 3.26Å; P813-V815 HydrophobicContact CB-CG1 3.92Å; P813-V815 PolarHBondContact O-N 3.05Å; V815-M817 PolarHBondContact O-N 3.08Å; V815-K818 WeakPolarHBondContact O-CB 3.32Å; V815-K818 PolarHBondContact O-N 2.96Å; V815-I819 PolarHBondContact O-N 3.2Å; V815-I819 VanDerWaalsContact O-N 3.17Å
816S95.7Very high93.1Very high0 Ų035.1 Ų35.10%019%0.185CC..Hα-helixtrans-58.6-34.8178.1-57.80000113Y798 L802 P813 S814 I819 L820Y798-S816 WeakPolarHBondContact OH-CA 3.25Å; L802-S816 WeakPolarHBondContact CD2-OG 3.31Å; P813-S816 WeakPolarHBondContact O-CB 3.18Å; P813-S816 PolarHBondContact O-N 3.35Å; P813-S816 PolarHBondContact O-OG 3.31Å; S814-S816 PolarHBondContact O-N 3.44Å; S816-I819 PolarHBondContact O-N 2.86Å; S816-L820 WeakPolarHBondContact O-CG 3.11Å; S816-L820 PolarHBondContact O-N 2.98Å; S816-L820 VanDerWaalsContact O-N 3.07Å
817M95.2Very high92.9Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-66.9-37.9177-63.6-56.899.800112L812 S814 V815 I819 L820 E821 V864 W938 V941 Y942 M945L812-M817 HydrophobicContact CD2-CE 3.61Å; S814-M817 PolarHBondContact O-N 3.22Å; V815-M817 PolarHBondContact O-N 3.08Å; M817-I819 VanDerWaalsContact C-N 3.33Å; M817-I819 PolarHBondContact O-N 2.65Å; M817-L820 HydrophobicContact CE-CD1 3.67Å; M817-L820 PolarHBondContact O-N 3.3Å; M817-L820 HydrophobicContact SD-CD1 4.28Å; M817-E821 WeakPolarHBondContact O-CB 3.36Å; M817-E821 PolarHBondContact O-N 3.45Å; M817-V864 HydrophobicContact CE-CG2 4.21Å; M817-W938 HydrophobicContact CB-CB 4.31Å; M817-W938 HydrophobicContact SD-CB 4.37Å; M817-V941 HydrophobicContact CG-CB 4.19Å; M817-V941 HydrophobicContact CG-CG1 3.92Å; M817-V941 HydrophobicContact SD-CB 4.02Å; M817-V941 HydrophobicContact SD-CG1 3.74Å; M817-Y942 HydrophobicContact CB-CD2 4.36Å; M817-M945 HydrophobicContact CG-CE 4.5Å; M817-M945 HydrophobicContact CG-SD 4.19Å
818K93.8Very high92.9Very high77 Ų7739.1 Ų39.134%0.33520%0.199SC..Hα-helixtrans-65.7-36.2175.6-74.8179.6163171.40112I786 V815 A822 Y942I786-K818 HydrophobicContact CD1-CB 4.04Å; I786-K818 HydrophobicContact CD1-CD 4.18Å; V815-K818 WeakPolarHBondContact O-CB 3.32Å; V815-K818 PolarHBondContact O-N 2.96Å; K818-A822 VanDerWaalsContact O-CB 3.3Å; K818-A822 WeakPolarHBondContact O-CB 3.45Å; K818-A822 PolarHBondContact O-N 3.18Å; K818-Y942 HydrophobicContact CD-CD2 4.43Å; K818-Y942 HydrophobicContact CD-CE2 3.83Å; K818-Y942 WeakPolarHBondContact CE-OH 3.26Å; K818-Y942 HydrophobicContact CG-CD2 4.08Å; K818-Y942 HydrophobicContact CG-CE2 3.98Å; K818-Y942 PolarHBondContact NZ-OH 3.04Å
819I95.8Very high92.9Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-66.8-45.8174.8-64175.9000110.6I785 I786 F789 V790 Y798 V815 S816 M817 E821 A822 L823I785-I819 HydrophobicContact CG2-CD1 3.36Å; I785-I819 HydrophobicContact CG2-CG1 4.49Å; I786-I819 HydrophobicContact CB-CG1 4.29Å; I786-I819 HydrophobicContact CG1-CD1 4.41Å; I786-I819 HydrophobicContact CG1-CG1 3.78Å; F789-I819 HydrophobicContact CB-CD1 4.23Å; F789-I819 HydrophobicContact CB-CG2 3.92Å; F789-I819 HydrophobicContact CD2-CD1 3.9Å; F789-I819 HydrophobicContact CG-CD1 4.44Å; V790-I819 HydrophobicContact CG2-CG2 4.22Å; Y798-I819 HydrophobicContact CD1-CG2 4.06Å; Y798-I819 HydrophobicContact CE1-CB 3.9Å; Y798-I819 HydrophobicContact CE1-CG2 3.43Å; Y798-I819 VanDerWaalsContact CE1-CG2 3.43Å; Y798-I819 HydrophobicContact CE2-CD1 3.93Å; Y798-I819 HydrophobicContact CE2-CG2 4.05Å; Y798-I819 VanDerWaalsContact CZ-CG2 3.44Å; Y798-I819 VanDerWaalsContact OH-CB 3.3Å; Y798-I819 WeakPolarHBondContact OH-CB 3.43Å; Y798-I819 WeakPolarHBondContact OH-CD1 3.29Å; V815-I819 PolarHBondContact O-N 3.2Å; V815-I819 VanDerWaalsContact O-N 3.17Å; S816-I819 PolarHBondContact O-N 2.86Å; M817-I819 VanDerWaalsContact C-N 3.33Å; M817-I819 PolarHBondContact O-N 2.65Å; I819-E821 VanDerWaalsContact C-N 3.29Å; I819-E821 PolarHBondContact O-N 2.92Å; I819-A822 PolarHBondContact O-N 2.97Å; I819-L823 HydrophobicContact CG2-CD1 3.84Å; I819-L823 HydrophobicContact CG2-CG 4.07Å; I819-L823 WeakPolarHBondContact O-CB 3.01Å; I819-L823 VanDerWaalsContact O-CG 3.29Å; I819-L823 WeakPolarHBondContact O-CG 3.21Å; I819-L823 PolarHBondContact O-N 3.49Å
820L95.7Very high92.9Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-58.7-44.4176.7-66.6173.9000111.2Y798 L799 L802 S816 M817 A822 L823 G824 V828 V864 W938Y798-L820 HydrophobicContact CD1-CD2 4.27Å; Y798-L820 HydrophobicContact CE1-CD2 4.05Å; Y798-L820 HydrophobicContact CE1-CG 4.4Å; L799-L820 HydrophobicContact CD2-CD2 3.73Å; L802-L820 HydrophobicContact CD1-CD1 4.25Å; L802-L820 HydrophobicContact CD1-CD2 4.27Å; L802-L820 HydrophobicContact CD1-CG 4.44Å; S816-L820 WeakPolarHBondContact O-CG 3.11Å; S816-L820 PolarHBondContact O-N 2.98Å; S816-L820 VanDerWaalsContact O-N 3.07Å; M817-L820 HydrophobicContact CE-CD1 3.67Å; M817-L820 PolarHBondContact O-N 3.3Å; M817-L820 HydrophobicContact SD-CD1 4.28Å; L820-A822 VanDerWaalsContact C-N 3.35Å; L820-A822 PolarHBondContact O-N 3.11Å; L820-L823 PolarHBondContact O-N 2.9Å; L820-G824 PolarHBondContact O-N 2.85Å; L820-V828 HydrophobicContact CD2-CG2 3.85Å; L820-V864 HydrophobicContact CD1-CB 4.41Å; L820-V864 HydrophobicContact CD1-CG1 4.01Å; L820-V864 HydrophobicContact CD1-CG2 4.42Å; L820-W938 VanDerWaalsContact C-CZ3 3.45Å; L820-W938 HydrophobicContact CB-CD2 3.68Å; L820-W938 HydrophobicContact CB-CE3 3.97Å; L820-W938 HydrophobicContact CB-CG 4.12Å; L820-W938 HydrophobicContact CB-CH2 4.21Å; L820-W938 HydrophobicContact CB-CZ2 3.97Å; L820-W938 HydrophobicContact CB-CZ3 4.22Å; L820-W938 HydrophobicContact CD1-CG 4.47Å; L820-W938 WeakPolarHBondContact O-CZ3 3.4Å
821E92.4Very high93Very high86 Ų8632.9 Ų32.940%0.40216%0.16SC..Hα-helixtrans-61.7-40.1176.2-172.9170.1-158.100112.7Q642 M817 I819 W938Q642-E821 PolarHBondContact NE2-O 3.2Å; M817-E821 WeakPolarHBondContact O-CB 3.36Å; M817-E821 PolarHBondContact O-N 3.45Å; I819-E821 VanDerWaalsContact C-N 3.29Å; I819-E821 PolarHBondContact O-N 2.92Å; E821-W938 HydrophobicContact CB-CE3 4.11Å
822A92.6Very high93.2Very high39 Ų3926.5 Ų26.532%0.32213%0.13SC..Hα-helixtrans-72.4-37.917700000113.1V790 K818 I819 L820 G824V790-A822 HydrophobicContact CG1-CB 4.2Å; V790-A822 HydrophobicContact CG2-CB 3.59Å; K818-A822 VanDerWaalsContact O-CB 3.3Å; K818-A822 WeakPolarHBondContact O-CB 3.45Å; K818-A822 PolarHBondContact O-N 3.18Å; I819-A822 PolarHBondContact O-N 2.97Å; L820-A822 VanDerWaalsContact C-N 3.35Å; L820-A822 PolarHBondContact O-N 3.11Å; A822-G824 VanDerWaalsContact C-N 3.33Å
823L92.1Very high93.1Very high11 Ų1127.8 Ų27.86%0.05814%0.135CC..Hα-helixtrans-64.3-39.8174.8-75.4174000111.7V790 Y798 I819 L820 R827 V828V790-L823 HydrophobicContact CG2-CG 4.48Å; Y798-L823 HydrophobicContact CD1-CD1 3.9Å; Y798-L823 HydrophobicContact CE1-CD1 4.42Å; I819-L823 HydrophobicContact CG2-CD1 3.84Å; I819-L823 HydrophobicContact CG2-CG 4.07Å; I819-L823 WeakPolarHBondContact O-CB 3.01Å; I819-L823 VanDerWaalsContact O-CG 3.29Å; I819-L823 WeakPolarHBondContact O-CG 3.21Å; I819-L823 PolarHBondContact O-N 3.49Å; L820-L823 PolarHBondContact O-N 2.9Å; L823-R827 HydrophobicContact CB-CB 4.22Å; L823-R827 HydrophobicContact CD2-CB 4.43Å; L823-R827 WeakPolarHBondContact O-CB 3.5Å; L823-R827 WeakPolarHBondContact O-CD 3.31Å; L823-R827 WeakPolarHBondContact O-CG 3.35Å; L823-V828 HydrophobicContact CB-CG2 4.16Å
824G91.4Very high93.1Very high3 Ų326.5 Ų26.53%0.03113%0.127CC..Hα-helixtrans76.6158-174.300000113.4L820 A822 R826 R827 V828L820-G824 PolarHBondContact O-N 2.85Å; A822-G824 VanDerWaalsContact C-N 3.33Å; G824-R826 VanDerWaalsContact C-N 3.34Å; G824-R826 PolarHBondContact O-N 3.41Å; G824-R827 PolarHBondContact O-N 3.37Å; G824-V828 VanDerWaalsContact O-CG2 3.3Å; G824-V828 WeakPolarHBondContact O-CG2 3.32Å; G824-V828 PolarHBondContact O-N 3Å
825P91.9Very high93.3Very high0 Ų025.4 Ų25.40%012%0.119CC..Hα-helixtrans-53-43-174.223.3-38.2000113.9Q641 A644 Y647 W648 R827 V828 L829Q641-P825 WeakPolarHBondContact O-CD 3.41Å; Q641-P825 WeakPolarHBondContact O-CG 3.47Å; A644-P825 HydrophobicContact CB-CB 4.39Å; A644-P825 HydrophobicContact CB-CG 4.47Å; Y647-P825 HydrophobicContact CD1-CB 3.53Å; Y647-P825 HydrophobicContact CD1-CG 3.69Å; Y647-P825 HydrophobicContact CD2-CG 4.33Å; Y647-P825 HydrophobicContact CE1-CB 4.2Å; Y647-P825 HydrophobicContact CE1-CG 4.49Å; Y647-P825 HydrophobicContact CG-CB 3.99Å; Y647-P825 HydrophobicContact CG-CG 3.6Å; W648-P825 HydrophobicContact CD2-CB 4.35Å; W648-P825 HydrophobicContact CE3-CB 4.33Å; W648-P825 HydrophobicContact CH2-CB 3.39Å; W648-P825 HydrophobicContact CZ2-CB 3.41Å; W648-P825 VanDerWaalsContact CZ2-CB 3.41Å; W648-P825 HydrophobicContact CZ3-CB 3.87Å; P825-R827 PolarHBondContact O-N 3.38Å; P825-V828 CarbonylContact O-C 3.59Å; P825-V828 WeakPolarHBondContact O-CB 3.43Å; P825-V828 PolarHBondContact O-N 3.45Å; P825-L829 WeakPolarHBondContact O-CG 3.38Å; P825-L829 PolarHBondContact O-N 3.24Å
826R88.8Confident93.3Very high71 Ų7125.2 Ų25.227%0.26812%0.118SC..Hα-helixtrans-63.3-43.7-177.3-169.5177.5-178.7149.3-0112.8Q641 E690 G824 L829Q641-R826 VanDerWaalsContact NE2-NH1 3.15Å; E690-R826 IonicContact OE2-CZ 4Å; E690-R826 IonicContact OE2-NE 2.62Å; E690-R826 IonicContact OE2-NH2 3.82Å; E690-R826 PolarHBondContact OE2-NH2 3.08Å; G824-R826 VanDerWaalsContact C-N 3.34Å; G824-R826 PolarHBondContact O-N 3.41Å; R826-L829 WeakPolarHBondContact O-CB 3.42Å; R826-L829 PolarHBondContact O-N 3.49Å
827R90.3Very high93.1Very high128 Ų12825.5 Ų25.548%0.48312%0.119SC..Hα-helixtrans-68.9-39.5174.5-66.1-172.3-179-176.71.6110.9V790 L823 G824 P825 L829 I830 H831V790-R827 PolarHBondContact O-NH1 3.07Å; L823-R827 HydrophobicContact CB-CB 4.22Å; L823-R827 HydrophobicContact CD2-CB 4.43Å; L823-R827 WeakPolarHBondContact O-CB 3.5Å; L823-R827 WeakPolarHBondContact O-CD 3.31Å; L823-R827 WeakPolarHBondContact O-CG 3.35Å; G824-R827 PolarHBondContact O-N 3.37Å; P825-R827 PolarHBondContact O-N 3.38Å; R827-L829 PolarHBondContact O-N 2.82Å; R827-I830 WeakPolarHBondContact O-CB 3.24Å; R827-I830 PolarHBondContact O-N 3.38Å; R827-H831 PolarHBondContact O-CD2 3.29Å; R827-H831 PolarHBondContact O-N 2.99Å
828V94.3Very high93Very high0 Ų025.7 Ų25.70%012%0.12CC..Hα-helixtrans-56.4-34.2174.3170.40000111.7L799 L820 L823 G824 P825 I830 H831 L832 I865 W938L799-V828 HydrophobicContact CD1-CG1 4.12Å; L820-V828 HydrophobicContact CD2-CG2 3.85Å; L823-V828 HydrophobicContact CB-CG2 4.16Å; G824-V828 VanDerWaalsContact O-CG2 3.3Å; G824-V828 WeakPolarHBondContact O-CG2 3.32Å; G824-V828 PolarHBondContact O-N 3Å; P825-V828 CarbonylContact O-C 3.59Å; P825-V828 WeakPolarHBondContact O-CB 3.43Å; P825-V828 PolarHBondContact O-N 3.45Å; V828-I830 PolarHBondContact O-N 3.46Å; V828-H831 PolarHBondContact O-N 2.8Å; V828-L832 WeakPolarHBondContact O-CB 3.39Å; V828-L832 PolarHBondContact O-N 2.64Å; V828-I865 HydrophobicContact CG1-CD1 4.23Å; V828-W938 HydrophobicContact CB-CH2 4.45Å; V828-W938 HydrophobicContact CG1-CZ2 4.35Å; V828-W938 HydrophobicContact CG2-CH2 3.86Å; V828-W938 HydrophobicContact CG2-CZ2 4.17Å
829L92.5Very high93Very high1 Ų122.1 Ų22.11%0.00511%0.105CC..Hα-helixtrans-65-35.6173.8-67.9178.2000114Y647 W648 P825 R826 R827 H831 L832 Q833 R869Y647-L829 HydrophobicContact CE1-CD1 4.18Å; W648-L829 HydrophobicContact CH2-CD1 4.44Å; W648-L829 HydrophobicContact CH2-CD2 3.66Å; W648-L829 HydrophobicContact CH2-CG 3.83Å; W648-L829 HydrophobicContact CZ3-CD1 3.93Å; W648-L829 HydrophobicContact CZ3-CD2 3.61Å; W648-L829 HydrophobicContact CZ3-CG 3.79Å; P825-L829 WeakPolarHBondContact O-CG 3.38Å; P825-L829 PolarHBondContact O-N 3.24Å; R826-L829 WeakPolarHBondContact O-CB 3.42Å; R826-L829 PolarHBondContact O-N 3.49Å; R827-L829 PolarHBondContact O-N 2.82Å; L829-H831 VanDerWaalsContact C-N 3.34Å; L829-L832 HydrophobicContact CD2-CD2 3.96Å; L829-L832 WeakPolarHBondContact O-CB 3.33Å; L829-L832 PolarHBondContact O-N 2.7Å; L829-Q833 WeakPolarHBondContact O-CG 3.29Å; L829-Q833 PolarHBondContact O-N 2.77Å; L829-R869 HydrophobicContact CD2-CG 3.64Å
830I91.2Very high92.9Very high39 Ų3922.1 Ų22.120%0.211%0.105CC..Hα-helixtrans-63.2-46.8174.5-58.4168.5000109Q689 G691 T796 R827 V828 L832 Q833 T834Q689-I830 WeakPolarHBondContact O-CD1 3.39Å; G691-I830 VanDerWaalsContact N-CG1 3.33Å; T796-I830 HydrophobicContact CG2-CG2 3.54Å; R827-I830 WeakPolarHBondContact O-CB 3.24Å; R827-I830 PolarHBondContact O-N 3.38Å; V828-I830 PolarHBondContact O-N 3.46Å; I830-L832 VanDerWaalsContact C-N 3.26Å; I830-L832 PolarHBondContact O-N 3.14Å; I830-Q833 PolarHBondContact O-N 3.48Å; I830-T834 PolarHBondContact O-N 3.09Å; I830-T834 PolarHBondContact O-OG1 3.06Å
831H94.5Very high92.5Very high17 Ų1723.4 Ų23.48%0.07911%0.11CC..Hα-helixtrans-63.2-31.7174.9-65-77.7000113N795 T796 Y798 L799 R827 V828 L829 T834 L835N795-H831 PolarHBondContact O-CE1 2.99Å; T796-H831 WeakPolarHBondContact CA-ND1 3.34Å; T796-H831 WeakPolarHBondContact O-CA 3.44Å; T796-H831 PolarHBondContact O-ND1 2.77Å; Y798-H831 PolarHBondContact N-ND1 3.25Å; L799-H831 HydrophobicContact CB-CB 4.11Å; L799-H831 HydrophobicContact CD1-CB 4.02Å; L799-H831 HydrophobicContact CG-CB 3.64Å; R827-H831 PolarHBondContact O-CD2 3.29Å; R827-H831 PolarHBondContact O-N 2.99Å; V828-H831 PolarHBondContact O-N 2.8Å; L829-H831 VanDerWaalsContact C-N 3.34Å; H831-T834 PolarHBondContact O-N 3.22Å; H831-L835 WeakPolarHBondContact O-CB 3.32Å; H831-L835 PolarHBondContact O-N 3.39Å
832L95.8Very high92.2Very high0 Ų020.3 Ų20.30%010%0.096CC..Hα-helixtrans-68.4-37.9178-177.464.4000112L799 V828 L829 I830 T834 L835 A836 I865 R869 F870 T873L799-L832 HydrophobicContact CD1-CB 3.97Å; L799-L832 HydrophobicContact CD1-CD1 4.23Å; V828-L832 WeakPolarHBondContact O-CB 3.39Å; V828-L832 PolarHBondContact O-N 2.64Å; L829-L832 HydrophobicContact CD2-CD2 3.96Å; L829-L832 WeakPolarHBondContact O-CB 3.33Å; L829-L832 PolarHBondContact O-N 2.7Å; I830-L832 VanDerWaalsContact C-N 3.26Å; I830-L832 PolarHBondContact O-N 3.14Å; L832-T834 VanDerWaalsContact C-N 3.35Å; L832-L835 HydrophobicContact CD1-CD2 4.34Å; L832-L835 PolarHBondContact O-N 2.89Å; L832-A836 WeakPolarHBondContact O-CB 3.45Å; L832-A836 PolarHBondContact O-N 3.49Å; L832-I865 HydrophobicContact CD1-CB 4.43Å; L832-I865 HydrophobicContact CD1-CD1 4.45Å; L832-I865 HydrophobicContact CD1-CG1 3.97Å; L832-I865 HydrophobicContact CD1-CG2 4.22Å; L832-I865 HydrophobicContact CD2-CD1 3.68Å; L832-I865 HydrophobicContact CD2-CG1 3.74Å; L832-I865 HydrophobicContact CG-CG1 4.48Å; L832-R869 HydrophobicContact CD2-CG 4.01Å; L832-F870 HydrophobicContact CD1-CD2 3.99Å; L832-T873 HydrophobicContact CD2-CG2 4.42Å; L832-T873 WeakPolarHBondContact CD2-OG1 3.34Å; L832-T873 HydrophobicContact CG-CG2 4.21Å
833Q92.5Very high91.9Very high39 Ų3918.6 Ų18.618%0.1828%0.081CC..Hα-helixtrans-62-45.3173.6-69.5175.6-1.100110.8L829 I830 L835 A836 D837 T873L829-Q833 WeakPolarHBondContact O-CG 3.29Å; L829-Q833 PolarHBondContact O-N 2.77Å; I830-Q833 PolarHBondContact O-N 3.48Å; Q833-L835 PolarHBondContact O-N 3.31Å; Q833-A836 WeakPolarHBondContact O-CB 3.36Å; Q833-A836 PolarHBondContact O-N 3.14Å; Q833-D837 PolarHBondContact O-N 3.26Å; Q833-D837 VanDerWaalsContact O-N 3.16Å; Q833-T873 HydrophobicContact CG-CG2 4.1Å
834T93.2Very high91.4Very high17 Ų1720.5 Ų20.510%0.1049%0.091CC..Hα-helixtrans-64.1-38.9175.3-51.20000112L765 T796 V797 I830 H831 L832 D837 F838L765-T834 HydrophobicContact CD1-CG2 3.51Å; L765-T834 HydrophobicContact CD2-CG2 4.33Å; T796-T834 WeakPolarHBondContact O-CB 3.46Å; T796-T834 PolarHBondContact O-OG1 3.18Å; T796-T834 PolarHBondContact OG1-OG1 2.91Å; V797-T834 HydrophobicContact CG1-CG2 4.13Å; I830-T834 PolarHBondContact O-N 3.09Å; I830-T834 PolarHBondContact O-OG1 3.06Å; H831-T834 PolarHBondContact O-N 3.22Å; L832-T834 VanDerWaalsContact C-N 3.35Å; T834-D837 PolarHBondContact O-N 3.45Å; T834-F838 WeakPolarHBondContact O-CB 3.24Å; T834-F838 PolarHBondContact O-N 3.38Å
835L95.9Very high90.8Very high1 Ų126.9 Ų26.91%0.00512%0.119CC..Hα-helixtrans-62.4-41.9173.5176.266.6000111.7L799 C800 W803 H831 L832 Q833 D837 F838 L839 M858L799-L835 HydrophobicContact CB-CB 4.03Å; L799-L835 HydrophobicContact CB-CD2 4.05Å; L799-L835 HydrophobicContact CD1-CD2 4.5Å; C800-L835 VanDerWaalsContact SG-CA 3.54Å; W803-L835 HydrophobicContact CB-CD1 3.95Å; W803-L835 HydrophobicContact CG-CD1 4.31Å; H831-L835 WeakPolarHBondContact O-CB 3.32Å; H831-L835 PolarHBondContact O-N 3.39Å; L832-L835 HydrophobicContact CD1-CD2 4.34Å; L832-L835 PolarHBondContact O-N 2.89Å; Q833-L835 PolarHBondContact O-N 3.31Å; L835-D837 VanDerWaalsContact C-N 3.33Å; L835-D837 PolarHBondContact O-N 2.84Å; L835-F838 HydrophobicContact CD1-CD1 4.47Å; L835-F838 PolarHBondContact O-N 3.37Å; L835-L839 HydrophobicContact CD1-CD1 3.92Å; L835-L839 HydrophobicContact CD1-CD2 4.3Å; L835-L839 HydrophobicContact CD1-CG 3.83Å; L835-L839 HydrophobicContact CD2-CD1 4.29Å; L835-L839 HydrophobicContact CG-CD1 3.76Å; L835-L839 HydrophobicContact CG-CG 4.13Å; L835-L839 WeakPolarHBondContact O-CB 3.34Å; L835-L839 VanDerWaalsContact O-CG 3.22Å; L835-L839 WeakPolarHBondContact O-CG 3.35Å; L835-L839 PolarHBondContact O-N 2.94Å; L835-M858 HydrophobicContact CD2-CE 4.47Å
836A94.1Very high90.1Very high0 Ų028.6 Ų28.60%014%0.137CC..Hα-helixtrans-57.5-47.7177.100000110.9L832 Q833 L839 V840 T873 M874 R877 Y879L832-A836 WeakPolarHBondContact O-CB 3.45Å; L832-A836 PolarHBondContact O-N 3.49Å; Q833-A836 WeakPolarHBondContact O-CB 3.36Å; Q833-A836 PolarHBondContact O-N 3.14Å; A836-L839 PolarHBondContact O-N 3.27Å; A836-V840 WeakPolarHBondContact O-CG2 3.26Å; A836-V840 PolarHBondContact O-N 3.28Å; A836-T873 HydrophobicContact CB-CG2 4.38Å; A836-M874 HydrophobicContact CB-SD 3.62Å; A836-R877 HydrophobicContact CB-CG 4.29Å; A836-Y879 WeakPolarHBondContact CB-OH 3.22Å; A836-Y879 PolarHBondContact O-OH 3.47Å
837D92Very high90Very high6 Ų629.1 Ų29.13%0.03215%0.145CC..Hα-helixtrans-62.3-48.5177.5-57.4-37.9000111.3H760 Q833 T834 L835 L839 V840 Y841 R877 Y879H760-D837 IonicContact CD2-OD1 2.71Å; H760-D837 IonicContact CD2-OD2 3.58Å; H760-D837 PolarHBondContact CD2-OD2 2.94Å; H760-D837 IonicContact NE2-OD2 3.64Å; H760-D837 PolarHBondContact NE2-OD2 3.49Å; Q833-D837 PolarHBondContact O-N 3.26Å; Q833-D837 VanDerWaalsContact O-N 3.16Å; T834-D837 PolarHBondContact O-N 3.45Å; L835-D837 VanDerWaalsContact C-N 3.33Å; L835-D837 PolarHBondContact O-N 2.84Å; D837-L839 VanDerWaalsContact C-N 3.3Å; D837-L839 PolarHBondContact O-N 3.17Å; D837-V840 PolarHBondContact O-N 3.19Å; D837-Y841 WeakPolarHBondContact O-CD2 3.23Å; D837-Y841 PolarHBondContact O-N 2.91Å; D837-Y841 VanDerWaalsContact O-N 3.11Å; D837-R877 IonicContact OD1-CZ 3.78Å; D837-R877 IonicContact OD1-NE 3.44Å; D837-R877 PolarHBondContact OD1-NE 3.39Å; D837-R877 IonicContact OD1-NH2 3.22Å; D837-R877 PolarHBondContact OD1-NH2 2.86Å; D837-R877 IonicContact OD2-CZ 3.45Å; D837-R877 IonicContact OD2-NE 3.28Å; D837-R877 IonicContact OD2-NH2 3.34Å; D837-R877 PolarHBondContact OD2-NH2 3.37Å; D837-Y879 WeakPolarHBondContact CA-OH 3.45Å; D837-Y879 PolarHBondContact N-OH 2.92Å; D837-Y879 VanDerWaalsContact N-OH 3.11Å; D837-Y879 WeakPolarHBondContact OD1-CE1 3.24Å; D837-Y879 PolarHBondContact OD1-OH 3.38Å
838F93.1Very high89.8Confident4 Ų424.3 Ų24.32%0.01813%0.13CC..Hα-helixtrans-55.1-45.6177.7-178-104.4000111.9L765 V769 C800 W803 T834 L835 Y841 E842L765-F838 HydrophobicContact CD2-CB 3.92Å; L765-F838 HydrophobicContact CD2-CD2 4.23Å; L765-F838 HydrophobicContact CG-CD2 4.19Å; V769-F838 HydrophobicContact CB-CE2 4.46Å; V769-F838 HydrophobicContact CG1-CZ 4.4Å; V769-F838 HydrophobicContact CG2-CD2 4.26Å; V769-F838 HydrophobicContact CG2-CE2 4.11Å; C800-F838 HydrophobicContact CB-CD1 4.1Å; C800-F838 HydrophobicContact CB-CG 4.18Å; W803-F838 HydrophobicContact CD2-CE1 4.35Å; W803-F838 AromaticContact CE3-CE1 3.64Å; W803-F838 HydrophobicContact CE3-CE1 3.64Å; W803-F838 HydrophobicContact CE3-CZ 4.46Å; W803-F838 AromaticContact CZ3-CE1 3.76Å; W803-F838 HydrophobicContact CZ3-CE1 3.76Å; W803-F838 HydrophobicContact CZ3-CZ 4.3Å; T834-F838 WeakPolarHBondContact O-CB 3.24Å; T834-F838 PolarHBondContact O-N 3.38Å; L835-F838 HydrophobicContact CD1-CD1 4.47Å; L835-F838 PolarHBondContact O-N 3.37Å; F838-Y841 PolarHBondContact O-N 2.91Å; F838-E842 HydrophobicContact CD1-CG 4.04Å; F838-E842 HydrophobicContact CD2-CG 4.3Å; F838-E842 HydrophobicContact CE1-CG 3.59Å; F838-E842 HydrophobicContact CE2-CG 3.88Å; F838-E842 HydrophobicContact CG-CG 4.38Å; F838-E842 HydrophobicContact CZ-CG 3.5Å; F838-E842 VanDerWaalsContact CZ-CG 3.5Å; F838-E842 WeakPolarHBondContact O-CB 3.12Å; F838-E842 WeakPolarHBondContact O-CG 3.4Å; F838-E842 PolarHBondContact O-N 3Å
839L93.9Very high89.6Confident2 Ų227.4 Ų27.41%0.0115%0.147CC..Hα-helixtrans-67.9-40.6-179.6-71.3171.7000113.2W803 L835 A836 D837 Y841 E842 T843 L855 F870 I890W803-L839 HydrophobicContact CD2-CD2 4.22Å; W803-L839 HydrophobicContact CG-CD2 4.25Å; W803-L839 HydrophobicContact CZ2-CD2 4.13Å; L835-L839 HydrophobicContact CD1-CD1 3.92Å; L835-L839 HydrophobicContact CD1-CD2 4.3Å; L835-L839 HydrophobicContact CD1-CG 3.83Å; L835-L839 HydrophobicContact CD2-CD1 4.29Å; L835-L839 HydrophobicContact CG-CD1 3.76Å; L835-L839 HydrophobicContact CG-CG 4.13Å; L835-L839 WeakPolarHBondContact O-CB 3.34Å; L835-L839 VanDerWaalsContact O-CG 3.22Å; L835-L839 WeakPolarHBondContact O-CG 3.35Å; L835-L839 PolarHBondContact O-N 2.94Å; A836-L839 PolarHBondContact O-N 3.27Å; D837-L839 VanDerWaalsContact C-N 3.3Å; D837-L839 PolarHBondContact O-N 3.17Å; L839-Y841 VanDerWaalsContact C-N 3.26Å; L839-Y841 PolarHBondContact O-N 3.19Å; L839-E842 PolarHBondContact O-N 3.32Å; L839-T843 WeakPolarHBondContact O-CB 3.47Å; L839-T843 VanDerWaalsContact O-CG2 3.29Å; L839-T843 WeakPolarHBondContact O-CG2 3.49Å; L839-T843 PolarHBondContact O-N 3.23Å; L839-T843 PolarHBondContact O-OG1 2.84Å; L839-L855 HydrophobicContact CD1-CD1 4.21Å; L839-L855 HydrophobicContact CD1-CD2 3.95Å; L839-F870 HydrophobicContact CD1-CE2 3.78Å; L839-F870 HydrophobicContact CD1-CZ 3.99Å; L839-I890 HydrophobicContact CB-CD1 4.12Å
840V92.2Very high89.5Confident0 Ų032.3 Ų32.30%017%0.165CC..Hα-helixtrans-59.9-41.8175.6171.60000110A836 D837 T843 L844 M874 Y879 E883 A887 I890A836-V840 WeakPolarHBondContact O-CG2 3.26Å; A836-V840 PolarHBondContact O-N 3.28Å; D837-V840 PolarHBondContact O-N 3.19Å; V840-T843 PolarHBondContact O-OG1 3.21Å; V840-L844 HydrophobicContact CG1-CD1 4.31Å; V840-L844 WeakPolarHBondContact O-CD1 3.28Å; V840-L844 VanDerWaalsContact O-CG 3.28Å; V840-L844 WeakPolarHBondContact O-CG 3.3Å; V840-L844 PolarHBondContact O-N 3.32Å; V840-M874 HydrophobicContact CG2-CE 3.99Å; V840-Y879 HydrophobicContact CG2-CD2 4.39Å; V840-Y879 HydrophobicContact CG2-CE1 4.28Å; V840-Y879 HydrophobicContact CG2-CE2 3.82Å; V840-E883 HydrophobicContact CG1-CB 3.89Å; V840-E883 HydrophobicContact CG1-CG 4.21Å; V840-A887 HydrophobicContact CG2-CB 3.86Å; V840-I890 HydrophobicContact CG2-CD1 4.29Å
841Y87.4Confident89.5Confident28 Ų2830.6 Ų30.611%0.1116%0.157CC..Hα-helixtrans-74.9-38.2177.6-68.7-63.3000114.6H760 Y762 D837 F838 L839 T843 L844 H845 E883H760-Y841 HydrophobicContact CB-CE2 3.94Å; Y762-Y841 HydrophobicContact CD2-CD2 4.01Å; Y762-Y841 AromaticContact CD2-CG 3.69Å; Y762-Y841 HydrophobicContact CD2-CG 3.69Å; Y762-Y841 VanDerWaalsContact CE2-CB 3.43Å; Y762-Y841 HydrophobicContact CE2-CG 4.44Å; Y762-Y841 HydrophobicContact CG-CD1 4.35Å; Y762-Y841 HydrophobicContact CG-CD2 4.33Å; Y762-Y841 AromaticContact CG-CG 3.9Å; Y762-Y841 HydrophobicContact CG-CG 3.9Å; D837-Y841 WeakPolarHBondContact O-CD2 3.23Å; D837-Y841 PolarHBondContact O-N 2.91Å; D837-Y841 VanDerWaalsContact O-N 3.11Å; F838-Y841 PolarHBondContact O-N 2.91Å; L839-Y841 VanDerWaalsContact C-N 3.26Å; L839-Y841 PolarHBondContact O-N 3.19Å; Y841-T843 VanDerWaalsContact C-N 3.33Å; Y841-L844 HydrophobicContact CD1-CD1 3.96Å; Y841-L844 HydrophobicContact CE1-CD1 4.46Å; Y841-L844 WeakPolarHBondContact O-CB 3.26Å; Y841-L844 PolarHBondContact O-N 3.46Å; Y841-H845 PolarHBondContact O-N 3.41Å; Y841-H845 PolarHBondContact O-ND1 3.29Å; Y841-E883 WeakPolarHBondContact CE1-OE1 3.35Å; Y841-E883 PolarHBondContact OH-OE1 3.26Å
842E87.5Confident89.4Confident21 Ų2130 Ų3010%0.09815%0.154CC..Hα-helixtrans-64.3-39.6174.5-76.9-61.913100111.2Y762 R766 F838 L839 L844 H845 G846Y762-E842 WeakPolarHBondContact CE2-OE1 3.49Å; Y762-E842 PolarHBondContact OH-OE1 3.47Å; R766-E842 IonicContact NE-OE1 2.66Å; R766-E842 IonicContact NH1-OE1 2.86Å; F838-E842 HydrophobicContact CD1-CG 4.04Å; F838-E842 HydrophobicContact CD2-CG 4.3Å; F838-E842 HydrophobicContact CE1-CG 3.59Å; F838-E842 HydrophobicContact CE2-CG 3.88Å; F838-E842 HydrophobicContact CG-CG 4.38Å; F838-E842 HydrophobicContact CZ-CG 3.5Å; F838-E842 VanDerWaalsContact CZ-CG 3.5Å; F838-E842 WeakPolarHBondContact O-CB 3.12Å; F838-E842 WeakPolarHBondContact O-CG 3.4Å; F838-E842 PolarHBondContact O-N 3Å; L839-E842 PolarHBondContact O-N 3.32Å; E842-L844 VanDerWaalsContact C-N 3.3Å; E842-L844 PolarHBondContact O-N 3.49Å; E842-H845 PolarHBondContact O-N 2.91Å; E842-G846 WeakPolarHBondContact O-CA 3.33Å; E842-G846 PolarHBondContact O-N 3.22Å
843T85.7Confident89.3Confident3 Ų333.9 Ų33.92%0.01818%0.175CC..Hα-helixtrans-71.7-23.6177.153.80000113.6L839 V840 Y841 H845 V848 C851 I890L839-T843 WeakPolarHBondContact O-CB 3.47Å; L839-T843 VanDerWaalsContact O-CG2 3.29Å; L839-T843 WeakPolarHBondContact O-CG2 3.49Å; L839-T843 PolarHBondContact O-N 3.23Å; L839-T843 PolarHBondContact O-OG1 2.84Å; V840-T843 PolarHBondContact O-OG1 3.21Å; Y841-T843 VanDerWaalsContact C-N 3.33Å; T843-H845 VanDerWaalsContact C-N 3.29Å; T843-H845 PolarHBondContact O-N 2.85Å; T843-V848 HydrophobicContact CG2-CG1 4.31Å; T843-V848 WeakPolarHBondContact O-CG2 3.36Å; T843-C851 HydrophobicContact CG2-CB 3.72Å; T843-I890 HydrophobicContact CG2-CD1 3.91Å; T843-I890 HydrophobicContact CG2-CG1 3.93Å
844L81.7Confident89.5Confident50 Ų5032.5 Ų32.526%0.26217%0.169SC..Hα-helixtrans-66.4-29170.6-82.8162.8000112.8V840 Y841 E842 E883 Y886V840-L844 HydrophobicContact CG1-CD1 4.31Å; V840-L844 WeakPolarHBondContact O-CD1 3.28Å; V840-L844 VanDerWaalsContact O-CG 3.28Å; V840-L844 WeakPolarHBondContact O-CG 3.3Å; V840-L844 PolarHBondContact O-N 3.32Å; Y841-L844 HydrophobicContact CD1-CD1 3.96Å; Y841-L844 HydrophobicContact CE1-CD1 4.46Å; Y841-L844 WeakPolarHBondContact O-CB 3.26Å; Y841-L844 PolarHBondContact O-N 3.46Å; E842-L844 VanDerWaalsContact C-N 3.3Å; E842-L844 PolarHBondContact O-N 3.49Å; L844-E883 HydrophobicContact CD1-CG 4.5Å; L844-Y886 HydrophobicContact CD2-CD2 3.3Å; L844-Y886 HydrophobicContact CD2-CE1 4.48Å; L844-Y886 HydrophobicContact CD2-CE2 3.18Å; L844-Y886 HydrophobicContact CD2-CG 4.06Å; L844-Y886 HydrophobicContact CG-CD2 3.84Å; L844-Y886 HydrophobicContact CG-CE2 4.09Å; L844-Y886 HydrophobicContact CG-CG 4.12Å
845H78.5Confident89.6Confident137 Ų13731.8 Ų31.863%0.63417%0.165SC*.Hα-helixtrans-121.3-5.3-171.9-57.990.4000114.7Y841 E842 T843Y841-H845 PolarHBondContact O-N 3.41Å; Y841-H845 PolarHBondContact O-ND1 3.29Å; E842-H845 PolarHBondContact O-N 2.91Å; T843-H845 VanDerWaalsContact C-N 3.29Å; T843-H845 PolarHBondContact O-N 2.85Å
846G77.9Confident89.6Confident36 Ų3632.8 Ų32.837%0.37117%0.17SC..SBendtrans-129.2-173.5-171.200000113.6E842 V848E842-G846 WeakPolarHBondContact O-CA 3.33Å; E842-G846 PolarHBondContact O-N 3.22Å; G846-V848 PolarHBondContact O-N 3.48Å; G846-V848 VanDerWaalsContact O-N 3.15Å
847D85.7Confident89.7Confident82 Ų8238.5 Ų38.544%0.43919%0.192SC..  trans-75.6102.7176.3-177.2-5.9000110.5N849 R850 C851D847-N849 PolarHBondContact O-N 2.99Å; D847-N849 WeakPolarHBondContact OD1-CB 3.39Å; D847-N849 PolarHBondContact OD1-N 3.29Å; D847-N849 PolarHBondContact OD1-ND2 3.44Å; D847-N849 VanDerWaalsContact OD1-ND2 3.13Å; D847-R850 HydrophobicContact CB-CB 4.07Å; D847-R850 PolarHBondContact O-N 3.33Å; D847-R850 PolarHBondContact OD1-N 2.95Å; D847-C851 PolarHBondContact O-N 2.56Å; D847-C851 PolarHBondContact O-SG 3.35Å
848V87.1Confident90Very high27 Ų2738.3 Ų38.316%0.16419%0.19CC..Hα-helixtrans-54.1-39.3178.8-1760000111.8T843 G846 C851 V852 Y886 L889 L893T843-V848 HydrophobicContact CG2-CG1 4.31Å; T843-V848 WeakPolarHBondContact O-CG2 3.36Å; G846-V848 PolarHBondContact O-N 3.48Å; G846-V848 VanDerWaalsContact O-N 3.15Å; V848-C851 PolarHBondContact O-N 2.97Å; V848-V852 HydrophobicContact CG1-CG2 4.49Å; V848-V852 WeakPolarHBondContact O-CG2 3.38Å; V848-V852 PolarHBondContact O-N 3.42Å; V848-Y886 HydrophobicContact CG2-CE1 4.5Å; V848-L889 HydrophobicContact CG1-CD2 3.98Å; V848-L889 HydrophobicContact CG1-CG 4.34Å; V848-L893 HydrophobicContact CG1-CD1 3.58Å
849N88.7Confident90.2Very high65 Ų6538.3 Ų38.335%0.34819%0.191SC..Hα-helixtrans-66.6-50.3-176.6-51.7-69.4000110D847 C851 V852 D853 R897D847-N849 PolarHBondContact O-N 2.99Å; D847-N849 WeakPolarHBondContact OD1-CB 3.39Å; D847-N849 PolarHBondContact OD1-N 3.29Å; D847-N849 PolarHBondContact OD1-ND2 3.44Å; D847-N849 VanDerWaalsContact OD1-ND2 3.13Å; N849-C851 PolarHBondContact O-N 3.44Å; N849-V852 PolarHBondContact O-N 2.67Å; N849-V852 VanDerWaalsContact O-N 3.14Å; N849-D853 PolarHBondContact O-N 3.31Å; N849-R897 VanDerWaalsContact OD1-CZ 3.24Å; N849-R897 PolarHBondContact OD1-NH1 3.43Å; N849-R897 PolarHBondContact OD1-NH2 3.21Å
850R90.6Very high90.3Very high105 Ų10539.8 Ų39.840%0.39620%0.197SC..Hα-helixtrans-59.3-37.9176.8-171.8174.1173.7179-0.5111.8Y807 D847 D853 V854Y807-R850 HydrophobicContact CD2-CG 4.22Å; Y807-R850 HydrophobicContact CE2-CB 4.37Å; Y807-R850 HydrophobicContact CE2-CG 3.66Å; Y807-R850 PolarHBondContact O-NH2 3Å; D847-R850 HydrophobicContact CB-CB 4.07Å; D847-R850 PolarHBondContact O-N 3.33Å; D847-R850 PolarHBondContact OD1-N 2.95Å; R850-D853 PolarHBondContact O-N 2.99Å; R850-V854 VanDerWaalsContact O-CG2 3.29Å; R850-V854 WeakPolarHBondContact O-CG2 3.21Å; R850-V854 PolarHBondContact O-N 3.5Å; R850-V854 VanDerWaalsContact O-N 3.09Å
851C91.1Very high90.4Very high3 Ų345.2 Ų45.22%0.0222%0.221CC..Hα-helixtrans-62.4-44.3177.1-64.60000112.5W803 T843 D847 V848 N849 L855W803-C851 HydrophobicContact CZ2-CB 3.99Å; W803-C851 PolarHBondContact NE1-O 2.94Å; T843-C851 HydrophobicContact CG2-CB 3.72Å; D847-C851 PolarHBondContact O-N 2.56Å; D847-C851 PolarHBondContact O-SG 3.35Å; V848-C851 PolarHBondContact O-N 2.97Å; N849-C851 PolarHBondContact O-N 3.44Å; C851-L855 WeakPolarHBondContact O-CB 3.36Å; C851-L855 PolarHBondContact O-N 2.94Å; C851-L855 VanDerWaalsContact O-N 3.1Å
852V93.1Very high90.8Very high3 Ų344.3 Ų44.32%0.01822%0.217CC..Hα-helixtrans-69.6-37.8178.7174.10000111.4V848 N849 V854 L855 N856 I890 L893 L894V848-V852 HydrophobicContact CG1-CG2 4.49Å; V848-V852 WeakPolarHBondContact O-CG2 3.38Å; V848-V852 PolarHBondContact O-N 3.42Å; N849-V852 PolarHBondContact O-N 2.67Å; N849-V852 VanDerWaalsContact O-N 3.14Å; V852-V854 PolarHBondContact O-N 2.83Å; V852-L855 PolarHBondContact O-N 3.33Å; V852-N856 VanDerWaalsContact O-CB 3.31Å; V852-N856 WeakPolarHBondContact O-CB 3.28Å; V852-N856 PolarHBondContact O-N 3.45Å; V852-I890 HydrophobicContact CG2-CG2 4.46Å; V852-L893 HydrophobicContact CB-CB 4.43Å; V852-L893 HydrophobicContact CG1-CB 3.92Å; V852-L893 HydrophobicContact CG2-CB 3.92Å; V852-L893 HydrophobicContact CG2-CD1 3.96Å; V852-L894 HydrophobicContact CG1-CD2 3.94Å; V852-L894 HydrophobicContact CG1-CG 4.12Å
853D93.8Very high91.2Very high82 Ų8244.4 Ų44.444%0.43922%0.22SC..Hα-helixtrans-64.4-41.2178-65.8-20.4000111.8N849 R850 N856 R857N849-D853 PolarHBondContact O-N 3.31Å; R850-D853 PolarHBondContact O-N 2.99Å; D853-N856 PolarHBondContact O-N 2.83Å; D853-R857 WeakPolarHBondContact O-CG 3.23Å; D853-R857 PolarHBondContact O-N 2.99Å; D853-R857 VanDerWaalsContact O-N 3.09Å
854V95.8Very high91.8Very high11 Ų1144.3 Ų44.37%0.06722%0.22CC..Hα-helixtrans-63.6-44.2174.4171.70000110.7W803 V806 Y807 R850 V852 R857 M858W803-V854 VanDerWaalsContact CD1-CG1 3.48Å; W803-V854 HydrophobicContact CD2-CG1 4.16Å; W803-V854 HydrophobicContact CG-CG1 3.93Å; V806-V854 HydrophobicContact CB-CG1 3.85Å; V806-V854 HydrophobicContact CG1-CG1 3.83Å; Y807-V854 HydrophobicContact CD2-CG2 3.95Å; Y807-V854 HydrophobicContact CG-CG2 4.46Å; R850-V854 VanDerWaalsContact O-CG2 3.29Å; R850-V854 WeakPolarHBondContact O-CG2 3.21Å; R850-V854 PolarHBondContact O-N 3.5Å; R850-V854 VanDerWaalsContact O-N 3.09Å; V852-V854 PolarHBondContact O-N 2.83Å; V854-R857 PolarHBondContact O-N 3.44Å; V854-M858 PolarHBondContact O-N 3.04Å
855L96.3Very high92.4Very high2 Ų242 Ų421%0.0121%0.208CC..Hα-helixtrans-64.8-41.3177.9-179.560.2000112.2L839 C851 V852 R857 M858 I859 F870 I890 L894L839-L855 HydrophobicContact CD1-CD1 4.21Å; L839-L855 HydrophobicContact CD1-CD2 3.95Å; C851-L855 WeakPolarHBondContact O-CB 3.36Å; C851-L855 PolarHBondContact O-N 2.94Å; C851-L855 VanDerWaalsContact O-N 3.1Å; V852-L855 PolarHBondContact O-N 3.33Å; L855-R857 VanDerWaalsContact C-N 3.31Å; L855-R857 PolarHBondContact O-N 3.48Å; L855-M858 WeakPolarHBondContact O-CB 3.49Å; L855-M858 PolarHBondContact O-N 3Å; L855-M858 VanDerWaalsContact O-N 3.16Å; L855-I859 HydrophobicContact CD1-CD1 4.08Å; L855-I859 HydrophobicContact CD1-CG1 4.36Å; L855-I859 HydrophobicContact CG-CD1 3.97Å; L855-I859 WeakPolarHBondContact O-CG1 3.12Å; L855-I859 PolarHBondContact O-N 3.33Å; L855-F870 HydrophobicContact CD1-CD2 4.25Å; L855-F870 HydrophobicContact CD1-CE2 4.11Å; L855-F870 HydrophobicContact CD2-CD1 4.37Å; L855-F870 HydrophobicContact CD2-CE1 3.71Å; L855-F870 HydrophobicContact CD2-CE2 3.89Å; L855-F870 HydrophobicContact CD2-CZ 3.45Å; L855-F870 VanDerWaalsContact CD2-CZ 3.45Å; L855-I890 HydrophobicContact CD2-CG2 3.79Å; L855-L894 HydrophobicContact CB-CD2 4.46Å; L855-L894 HydrophobicContact CD2-CD1 3.63Å; L855-L894 HydrophobicContact CD2-CD2 4.22Å; L855-L894 HydrophobicContact CD2-CG 4.2Å; L855-L894 HydrophobicContact CG-CD1 4.17Å; L855-L894 HydrophobicContact CG-CD2 4.13Å
856N96.2Very high93.2Very high22 Ų2237 Ų3712%0.11819%0.187CC..Hα-helixtrans-56.3-46.7173.9173.7-68.2000110.5V852 D853 M858 I859 F860 L894 S898 E900V852-N856 VanDerWaalsContact O-CB 3.31Å; V852-N856 WeakPolarHBondContact O-CB 3.28Å; V852-N856 PolarHBondContact O-N 3.45Å; D853-N856 PolarHBondContact O-N 2.83Å; N856-M858 PolarHBondContact O-N 3.29Å; N856-I859 PolarHBondContact O-N 3.07Å; N856-F860 WeakPolarHBondContact O-CD2 3.46Å; N856-F860 PolarHBondContact O-N 3.22Å; N856-L894 HydrophobicContact CB-CD2 4.11Å; N856-S898 WeakPolarHBondContact ND2-CB 3.41Å; N856-S898 PolarHBondContact ND2-OG 3.37Å; N856-E900 PolarHBondContact ND2-OE2 3.47Å
857R96.6Very high94.1Very high120 Ų12035.3 Ų35.345%0.45317%0.169SC..Iπ-helixtrans-60.8-42.6175.2-69.1176.8-174.3-160.82.8112.4V806 D853 V854 L855 I859 K861 Y862V806-R857 HydrophobicContact CG1-CB 4.49Å; D853-R857 WeakPolarHBondContact O-CG 3.23Å; D853-R857 PolarHBondContact O-N 2.99Å; D853-R857 VanDerWaalsContact O-N 3.09Å; V854-R857 PolarHBondContact O-N 3.44Å; L855-R857 VanDerWaalsContact C-N 3.31Å; L855-R857 PolarHBondContact O-N 3.48Å; R857-I859 VanDerWaalsContact C-N 3.28Å; R857-I859 PolarHBondContact O-N 3.45Å; R857-K861 WeakPolarHBondContact O-CA 3.32Å; R857-K861 VanDerWaalsContact O-CB 3.24Å; R857-K861 WeakPolarHBondContact O-CB 3.32Å; R857-K861 PolarHBondContact O-N 2.72Å; R857-Y862 PolarHBondContact O-N 3Å
858M97.8Very high94.6Very high1 Ų131.9 Ų31.91%0.00515%0.151CC..Iπ-helixtrans-60.6-38.2176.4-71.9178.970.300112.6L802 W803 V806 L835 V854 L855 N856 Y862 S863 V864L802-M858 HydrophobicContact CB-CE 3.89Å; W803-M858 WeakPolarHBondContact CA-SD 3.33Å; W803-M858 HydrophobicContact CB-CE 4.26Å; W803-M858 HydrophobicContact CB-SD 3.59Å; W803-M858 VanDerWaalsContact CB-SD 3.59Å; W803-M858 HydrophobicContact CG-SD 4.06Å; V806-M858 HydrophobicContact CG2-CG 4.37Å; L835-M858 HydrophobicContact CD2-CE 4.47Å; V854-M858 PolarHBondContact O-N 3.04Å; L855-M858 WeakPolarHBondContact O-CB 3.49Å; L855-M858 PolarHBondContact O-N 3Å; L855-M858 VanDerWaalsContact O-N 3.16Å; N856-M858 PolarHBondContact O-N 3.29Å; M858-Y862 CarbonylContact O-C 3.59Å; M858-S863 PolarHBondContact O-N 3.4Å; M858-S863 VanDerWaalsContact O-N 3.13Å; M858-V864 HydrophobicContact CB-CB 4.34Å; M858-V864 HydrophobicContact CB-CG2 4.2Å; M858-V864 HydrophobicContact CE-CB 4.27Å; M858-V864 HydrophobicContact CE-CG1 3.87Å; M858-V864 HydrophobicContact CE-CG2 4.23Å; M858-V864 PolarHBondContact O-N 3.3Å
859I97Very high95Very high5 Ų531.2 Ų31.23%0.02615%0.145CC..Iπ-helixtrans-76-52.6-178.9-68.2169.8000111.4L855 N856 R857 S863 I865 L867 F870 L894L855-I859 HydrophobicContact CD1-CD1 4.08Å; L855-I859 HydrophobicContact CD1-CG1 4.36Å; L855-I859 HydrophobicContact CG-CD1 3.97Å; L855-I859 WeakPolarHBondContact O-CG1 3.12Å; L855-I859 PolarHBondContact O-N 3.33Å; N856-I859 PolarHBondContact O-N 3.07Å; R857-I859 VanDerWaalsContact C-N 3.28Å; R857-I859 PolarHBondContact O-N 3.45Å; I859-S863 WeakPolarHBondContact O-CA 3.47Å; I859-S863 PolarHBondContact O-N 3.31Å; I859-I865 HydrophobicContact CG1-CG2 4.12Å; I859-L867 HydrophobicContact CD1-CD1 4.04Å; I859-L867 HydrophobicContact CG2-CB 3.84Å; I859-F870 HydrophobicContact CD1-CB 4.42Å; I859-F870 HydrophobicContact CD1-CG 4.46Å; I859-L894 HydrophobicContact CD1-CD1 4.01Å; I859-L894 HydrophobicContact CD1-CD2 4.26Å
860F95.6Very high95.4Very high32 Ų3228.1 Ų28.114%0.1413%0.129CC..Iπ-helixtrans-94.3-39.7-169.1-66.2-75.1000114N856 L867 S898 E900 F901N856-F860 WeakPolarHBondContact O-CD2 3.46Å; N856-F860 PolarHBondContact O-N 3.22Å; F860-L867 HydrophobicContact CZ-CB 4.46Å; F860-L867 HydrophobicContact CZ-CD2 4.12Å; F860-S898 WeakPolarHBondContact CE2-OG 3.33Å; F860-S898 WeakPolarHBondContact CZ-OG 3.35Å; F860-E900 HydrophobicContact CB-CB 4.47Å; F860-E900 HydrophobicContact CB-CG 4.26Å; F860-E900 HydrophobicContact CD1-CB 3.85Å; F860-E900 HydrophobicContact CE1-CB 4.22Å; F860-E900 HydrophobicContact CG-CB 4.05Å; F860-E900 HydrophobicContact CG-CG 4.32Å; F860-F901 HydrophobicContact CE1-CB 4.36Å; F860-F901 HydrophobicContact CZ-CB 3.82Å
861K94.7Very high95.7Very high114 Ų11423.1 Ų23.150%0.49611%0.11SC..Iπ-helixtrans-81.8-45-179.9-174.3-175.3177.7-168.10111.9R857R857-K861 WeakPolarHBondContact O-CA 3.32Å; R857-K861 VanDerWaalsContact O-CB 3.24Å; R857-K861 WeakPolarHBondContact O-CB 3.32Å; R857-K861 PolarHBondContact O-N 2.72Å
862Y96.2Very high95.9Very high10 Ų1023.5 Ų23.54%0.03911%0.111CC..SBendtrans-103.7-7.2-172.8-58.2-48.1000114.4V806 G810 E811 L812 R857 M858 V864 M945V806-Y862 HydrophobicContact CG1-CE2 4.27Å; V806-Y862 HydrophobicContact CG2-CD2 4.2Å; V806-Y862 HydrophobicContact CG2-CE2 3.85Å; G810-Y862 PolarHBondContact O-OH 3.47Å; E811-Y862 WeakPolarHBondContact CA-OH 3.16Å; L812-Y862 HydrophobicContact CB-CD1 4.31Å; L812-Y862 HydrophobicContact CB-CD2 4Å; L812-Y862 HydrophobicContact CB-CE1 4.15Å; L812-Y862 HydrophobicContact CB-CE2 3.86Å; L812-Y862 HydrophobicContact CB-CG 4.23Å; L812-Y862 HydrophobicContact CD2-CD2 4.15Å; L812-Y862 HydrophobicContact CD2-CG 4.05Å; R857-Y862 PolarHBondContact O-N 3Å; M858-Y862 CarbonylContact O-C 3.59Å; Y862-V864 PolarHBondContact O-N 3.35Å; Y862-M945 HydrophobicContact CD1-CE 3.13Å; Y862-M945 HydrophobicContact CE1-CE 3.61Å; Y862-M945 HydrophobicContact CG-CE 4.05Å
863S95.5Very high96Very high23 Ų2323.4 Ų23.416%0.16111%0.111CC..  trans47.537180-51.60000113.7M858 I859 I865 W938M858-S863 PolarHBondContact O-N 3.4Å; M858-S863 VanDerWaalsContact O-N 3.13Å; I859-S863 WeakPolarHBondContact O-CA 3.47Å; I859-S863 PolarHBondContact O-N 3.31Å; S863-I865 VanDerWaalsContact C-N 3.34Å; S863-I865 PolarHBondContact O-N 2.92Å; S863-W938 PolarHBondContact O-NE1 3.27Å
864V97.3Very high96.1Very high1 Ų119.5 Ų19.51%0.0069%0.09CC..SBendtrans-61.5-46.9-179.6174.10000109.8L799 L802 L812 M817 L820 M858 Y862 W938L799-V864 HydrophobicContact CD2-CG1 3.51Å; L802-V864 HydrophobicContact CD1-CG1 4.11Å; L802-V864 HydrophobicContact CD1-CG2 4.43Å; L812-V864 HydrophobicContact CD2-CG2 4.04Å; M817-V864 HydrophobicContact CE-CG2 4.21Å; L820-V864 HydrophobicContact CD1-CB 4.41Å; L820-V864 HydrophobicContact CD1-CG1 4.01Å; L820-V864 HydrophobicContact CD1-CG2 4.42Å; M858-V864 HydrophobicContact CB-CB 4.34Å; M858-V864 HydrophobicContact CB-CG2 4.2Å; M858-V864 HydrophobicContact CE-CB 4.27Å; M858-V864 HydrophobicContact CE-CG1 3.87Å; M858-V864 HydrophobicContact CE-CG2 4.23Å; M858-V864 PolarHBondContact O-N 3.3Å; Y862-V864 PolarHBondContact O-N 3.35Å; V864-W938 PolarHBondContact O-NE1 3.16Å
865I95.8Very high96.1Very high2 Ų219.5 Ų19.51%0.019%0.09CC..SBendtrans-140.4139.5175.7-16774.9000109.3W648 V828 L832 I859 S863 R869 F870W648-I865 HydrophobicContact CH2-CD1 4.29Å; W648-I865 HydrophobicContact CZ2-CD1 4.23Å; V828-I865 HydrophobicContact CG1-CD1 4.23Å; L832-I865 HydrophobicContact CD1-CB 4.43Å; L832-I865 HydrophobicContact CD1-CD1 4.45Å; L832-I865 HydrophobicContact CD1-CG1 3.97Å; L832-I865 HydrophobicContact CD1-CG2 4.22Å; L832-I865 HydrophobicContact CD2-CD1 3.68Å; L832-I865 HydrophobicContact CD2-CG1 3.74Å; L832-I865 HydrophobicContact CG-CG1 4.48Å; I859-I865 HydrophobicContact CG1-CG2 4.12Å; S863-I865 VanDerWaalsContact C-N 3.34Å; S863-I865 PolarHBondContact O-N 2.92Å; I865-R869 HydrophobicContact CD1-CB 4.19Å; I865-R869 HydrophobicContact CD1-CG 4.04Å; I865-R869 HydrophobicContact CG1-CB 4.1Å; I865-R869 HydrophobicContact CG1-CG 4.39Å; I865-F870 HydrophobicContact CG2-CB 4.29Å
866P95.4Very high95.9Very high31 Ų3120 Ų2020%0.2019%0.092CC..  trans-61.9142.6171.3-21.833.2000111.7E868 R869 F870P866-E868 VanDerWaalsContact C-N 3.26Å; P866-E868 HydrophobicContact CB-CG 4.2Å; P866-E868 WeakPolarHBondContact CB-OE2 3.39Å; P866-E868 PolarHBondContact O-N 2.97Å; P866-R869 HydrophobicContact CB-CB 4.47Å; P866-R869 PolarHBondContact O-N 3.34Å; P866-F870 PolarHBondContact O-N 3.45Å; P866-F870 VanDerWaalsContact O-N 3.13Å
867L96.4Very high95.6Very high0 Ų020.3 Ų20.30%09%0.091CC..Hα-helixtrans-51.8-48.7179176.267.4000111.1I859 F860 R869 F870 I871 L894 F901 I969I859-L867 HydrophobicContact CD1-CD1 4.04Å; I859-L867 HydrophobicContact CG2-CB 3.84Å; F860-L867 HydrophobicContact CZ-CB 4.46Å; F860-L867 HydrophobicContact CZ-CD2 4.12Å; L867-R869 PolarHBondContact O-N 3.48Å; L867-F870 WeakPolarHBondContact O-CB 3.39Å; L867-F870 PolarHBondContact O-N 3.33Å; L867-I871 HydrophobicContact CD1-CD1 3.91Å; L867-I871 HydrophobicContact CD1-CG1 4.21Å; L867-I871 HydrophobicContact CD2-CD1 4.21Å; L867-I871 HydrophobicContact CG-CD1 3.73Å; L867-I871 HydrophobicContact CG-CG1 4.34Å; L867-I871 WeakPolarHBondContact O-CG1 3.37Å; L867-I871 PolarHBondContact O-N 3.03Å; L867-L894 HydrophobicContact CD1-CB 4.4Å; L867-L894 HydrophobicContact CD1-CD1 4.21Å; L867-F901 HydrophobicContact CD2-CD1 4.3Å; L867-F901 HydrophobicContact CD2-CD2 3.46Å; L867-F901 VanDerWaalsContact CD2-CD2 3.46Å; L867-F901 HydrophobicContact CD2-CE1 4.39Å; L867-F901 HydrophobicContact CD2-CE2 3.58Å; L867-F901 HydrophobicContact CD2-CG 3.85Å; L867-F901 HydrophobicContact CD2-CZ 4.06Å; L867-I969 HydrophobicContact CD2-CD1 4.35Å
868E95.6Very high95.2Very high11 Ų1117 Ų175%0.0518%0.081CC..Hα-helixtrans-59.2-34.8-178.264.1-91.3-145.600112.1P866 L872 R968 I969 I972P866-E868 VanDerWaalsContact C-N 3.26Å; P866-E868 HydrophobicContact CB-CG 4.2Å; P866-E868 WeakPolarHBondContact CB-OE2 3.39Å; P866-E868 PolarHBondContact O-N 2.97Å; E868-L872 VanDerWaalsContact O-CB 3.27Å; E868-L872 WeakPolarHBondContact O-CB 3.5Å; E868-L872 PolarHBondContact O-N 2.81Å; E868-R968 IonicContact OE1-CZ 2.8Å; E868-R968 VanDerWaalsContact OE1-CZ 3.28Å; E868-R968 IonicContact OE1-NE 3.87Å; E868-R968 PolarHBondContact OE1-NE 2.9Å; E868-R968 IonicContact OE1-NH2 3.07Å; E868-R968 PolarHBondContact OE1-NH2 3.44Å; E868-I969 HydrophobicContact CB-CB 4.32Å; E868-I969 HydrophobicContact CB-CG1 4.22Å; E868-I972 HydrophobicContact CB-CD1 3.67Å; E868-I972 HydrophobicContact CG-CD1 4.37Å
869R94.9Very high94.8Very high13 Ų1317.1 Ų17.15%0.0498%0.081CC..Hα-helixtrans-76.5-36179.1-166.662.1178.595.5-10.2112W648 E651 E694 L829 L832 I865 P866 L867 T873W648-R869 HydrophobicContact CZ3-CG 4.21Å; E651-R869 IonicContact OE2-CZ 2.81Å; E651-R869 IonicContact OE2-NE 3.84Å; E651-R869 PolarHBondContact OE2-NE 3.01Å; E651-R869 IonicContact OE2-NH2 2.99Å; E694-R869 IonicContact OE1-CZ 2.71Å; E694-R869 IonicContact OE1-NH1 3.58Å; E694-R869 PolarHBondContact OE1-NH1 2.97Å; E694-R869 IonicContact OE1-NH2 3.38Å; E694-R869 PolarHBondContact OE1-NH2 2.8Å; E694-R869 IonicContact OE2-CZ 2.68Å; E694-R869 IonicContact OE2-NH1 3.59Å; E694-R869 IonicContact OE2-NH2 3.19Å; E694-R869 PolarHBondContact OE2-NH2 3Å; L829-R869 HydrophobicContact CD2-CG 3.64Å; L832-R869 HydrophobicContact CD2-CG 4.01Å; I865-R869 HydrophobicContact CD1-CB 4.19Å; I865-R869 HydrophobicContact CD1-CG 4.04Å; I865-R869 HydrophobicContact CG1-CB 4.1Å; I865-R869 HydrophobicContact CG1-CG 4.39Å; P866-R869 HydrophobicContact CB-CB 4.47Å; P866-R869 PolarHBondContact O-N 3.34Å; L867-R869 PolarHBondContact O-N 3.48Å; R869-T873 PolarHBondContact NH1-OG1 2.86Å; R869-T873 VanDerWaalsContact NH1-OG1 3.11Å; R869-T873 PolarHBondContact O-N 3.45Å; R869-T873 PolarHBondContact O-OG1 3.27Å
870F97.1Very high94.4Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-60.6-50.4171.3179.2-94.9000110.7L832 L839 L855 I859 I865 P866 L867 L872 T873 M874 I890 V891 L894L832-F870 HydrophobicContact CD1-CD2 3.99Å; L839-F870 HydrophobicContact CD1-CE2 3.78Å; L839-F870 HydrophobicContact CD1-CZ 3.99Å; L855-F870 HydrophobicContact CD1-CD2 4.25Å; L855-F870 HydrophobicContact CD1-CE2 4.11Å; L855-F870 HydrophobicContact CD2-CD1 4.37Å; L855-F870 HydrophobicContact CD2-CE1 3.71Å; L855-F870 HydrophobicContact CD2-CE2 3.89Å; L855-F870 HydrophobicContact CD2-CZ 3.45Å; L855-F870 VanDerWaalsContact CD2-CZ 3.45Å; I859-F870 HydrophobicContact CD1-CB 4.42Å; I859-F870 HydrophobicContact CD1-CG 4.46Å; I865-F870 HydrophobicContact CG2-CB 4.29Å; P866-F870 PolarHBondContact O-N 3.45Å; P866-F870 VanDerWaalsContact O-N 3.13Å; L867-F870 WeakPolarHBondContact O-CB 3.39Å; L867-F870 PolarHBondContact O-N 3.33Å; F870-L872 PolarHBondContact O-N 2.99Å; F870-T873 WeakPolarHBondContact O-CB 3.32Å; F870-T873 PolarHBondContact O-N 2.74Å; F870-M874 HydrophobicContact CD1-CG 4.09Å; F870-M874 HydrophobicContact CE1-CG 3.56Å; F870-M874 HydrophobicContact CE1-SD 4.29Å; F870-M874 HydrophobicContact CE2-CG 4.17Å; F870-M874 HydrophobicContact CE2-SD 4.22Å; F870-M874 HydrophobicContact CZ-CE 4.15Å; F870-M874 HydrophobicContact CZ-CG 3.59Å; F870-M874 HydrophobicContact CZ-SD 3.74Å; F870-M874 WeakPolarHBondContact O-CG 2.97Å; F870-M874 PolarHBondContact O-N 3.25Å; F870-I890 HydrophobicContact CE1-CG2 3.94Å; F870-I890 HydrophobicContact CZ-CG2 3.92Å; F870-V891 HydrophobicContact CE1-CG2 4.34Å; F870-L894 HydrophobicContact CD1-CD1 3.64Å; F870-L894 HydrophobicContact CE1-CD1 3.57Å
871I97.5Very high94Very high0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-59.6-47.7179.2-65174.5000111.1L867 T873 M874 I875 V891 I895 I969 I972 L976L867-I871 HydrophobicContact CD1-CD1 3.91Å; L867-I871 HydrophobicContact CD1-CG1 4.21Å; L867-I871 HydrophobicContact CD2-CD1 4.21Å; L867-I871 HydrophobicContact CG-CD1 3.73Å; L867-I871 HydrophobicContact CG-CG1 4.34Å; L867-I871 WeakPolarHBondContact O-CG1 3.37Å; L867-I871 PolarHBondContact O-N 3.03Å; I871-T873 VanDerWaalsContact C-N 3.26Å; I871-T873 PolarHBondContact O-N 3.19Å; I871-M874 PolarHBondContact O-N 3.37Å; I871-I875 HydrophobicContact CG2-CD1 3.67Å; I871-I875 HydrophobicContact CG2-CG1 4.34Å; I871-I875 WeakPolarHBondContact O-CG1 3.48Å; I871-I875 PolarHBondContact O-N 3.44Å; I871-V891 HydrophobicContact CD1-CG1 4.34Å; I871-V891 HydrophobicContact CG1-CG1 3.97Å; I871-V891 HydrophobicContact CG2-CG1 4.03Å; I871-I895 HydrophobicContact CD1-CD1 4.21Å; I871-I895 HydrophobicContact CD1-CG1 4.33Å; I871-I969 HydrophobicContact CD1-CD1 3.8Å; I871-I972 HydrophobicContact CB-CG2 4.19Å; I871-I972 HydrophobicContact CG2-CG2 3.65Å; I871-L976 HydrophobicContact CG2-CD2 4.43Å
872L96.1Very high93.7Very high10 Ų1021.3 Ų21.35%0.05212%0.12CC..Hα-helixtrans-56.5-42.6178-177.663.3000111.9L655 E694 E868 F870 I875 F876 I972 M975L655-L872 HydrophobicContact CD1-CD1 4.44Å; L655-L872 HydrophobicContact CD2-CD1 3.9Å; L655-L872 HydrophobicContact CD2-CD2 3.75Å; L655-L872 HydrophobicContact CD2-CG 4.49Å; E694-L872 HydrophobicContact CB-CD2 4.21Å; E694-L872 HydrophobicContact CB-CG 4.21Å; E694-L872 HydrophobicContact CG-CG 4.29Å; E868-L872 VanDerWaalsContact O-CB 3.27Å; E868-L872 WeakPolarHBondContact O-CB 3.5Å; E868-L872 PolarHBondContact O-N 2.81Å; F870-L872 PolarHBondContact O-N 2.99Å; L872-I875 PolarHBondContact O-N 3.05Å; L872-F876 HydrophobicContact CD1-CD2 3.62Å; L872-F876 HydrophobicContact CD1-CE2 3.46Å; L872-F876 VanDerWaalsContact CD1-CE2 3.46Å; L872-F876 HydrophobicContact CG-CD2 4.22Å; L872-F876 HydrophobicContact CG-CE2 4.46Å; L872-F876 WeakPolarHBondContact O-CD2 3.5Å; L872-F876 PolarHBondContact O-N 3.29Å; L872-I972 HydrophobicContact CB-CD1 4.33Å; L872-I972 HydrophobicContact CB-CG1 4.48Å; L872-I972 HydrophobicContact CB-CG2 4.24Å; L872-I972 HydrophobicContact CD1-CG1 4.25Å; L872-M975 HydrophobicContact CD1-SD 3.95Å
873T95Very high93.4Very high1 Ų123.3 Ų23.31%0.00613%0.13CC..Hα-helixtrans-62.5-51.1177.4-52.30000110.1L832 Q833 A836 R869 F870 I871 I875 F876 R877L832-T873 HydrophobicContact CD2-CG2 4.42Å; L832-T873 WeakPolarHBondContact CD2-OG1 3.34Å; L832-T873 HydrophobicContact CG-CG2 4.21Å; Q833-T873 HydrophobicContact CG-CG2 4.1Å; A836-T873 HydrophobicContact CB-CG2 4.38Å; R869-T873 PolarHBondContact NH1-OG1 2.86Å; R869-T873 VanDerWaalsContact NH1-OG1 3.11Å; R869-T873 PolarHBondContact O-N 3.45Å; R869-T873 PolarHBondContact O-OG1 3.27Å; F870-T873 WeakPolarHBondContact O-CB 3.32Å; F870-T873 PolarHBondContact O-N 2.74Å; I871-T873 VanDerWaalsContact C-N 3.26Å; I871-T873 PolarHBondContact O-N 3.19Å; T873-I875 VanDerWaalsContact C-N 3.27Å; T873-I875 PolarHBondContact O-N 3.27Å; T873-F876 PolarHBondContact O-N 2.72Å; T873-F876 VanDerWaalsContact O-N 3.12Å; T873-R877 HydrophobicContact CG2-CG 4.37Å; T873-R877 WeakPolarHBondContact O-CG 3.15Å; T873-R877 PolarHBondContact O-N 2.79Å; T873-R877 VanDerWaalsContact O-N 3.1Å
874M95.5Very high93.3Very high1 Ų122.4 Ų22.41%0.00512%0.123CC..Hα-helixtrans-57.8-36.6-179.8-66.9-65.3-80.400113.3A836 V840 F870 I871 Y879 A887 M888 I890 V891A836-M874 HydrophobicContact CB-SD 3.62Å; V840-M874 HydrophobicContact CG2-CE 3.99Å; F870-M874 HydrophobicContact CD1-CG 4.09Å; F870-M874 HydrophobicContact CE1-CG 3.56Å; F870-M874 HydrophobicContact CE1-SD 4.29Å; F870-M874 HydrophobicContact CE2-CG 4.17Å; F870-M874 HydrophobicContact CE2-SD 4.22Å; F870-M874 HydrophobicContact CZ-CE 4.15Å; F870-M874 HydrophobicContact CZ-CG 3.59Å; F870-M874 HydrophobicContact CZ-SD 3.74Å; F870-M874 WeakPolarHBondContact O-CG 2.97Å; F870-M874 PolarHBondContact O-N 3.25Å; I871-M874 PolarHBondContact O-N 3.37Å; M874-Y879 HydrophobicContact SD-CE2 4.49Å; M874-A887 HydrophobicContact CE-CB 3.61Å; M874-A887 VanDerWaalsContact CE-O 3.29Å; M874-A887 WeakPolarHBondContact CE-O 3.45Å; M874-M888 HydrophobicContact CB-CE 4.41Å; M874-I890 HydrophobicContact CE-CB 4.21Å; M874-I890 HydrophobicContact CE-CD1 3.97Å; M874-I890 HydrophobicContact CE-CG2 4.44Å; M874-V891 HydrophobicContact CB-CG2 3.67Å; M874-V891 HydrophobicContact CG-CG2 3.87Å
875I95.3Very high93.1Very high11 Ų1124 Ų246%0.05613%0.13CC..Hα-helixtrans-65.9-41.2177.8-69.1163.1000111.6I871 L872 T873 I972 M975 L976 R979I871-I875 HydrophobicContact CG2-CD1 3.67Å; I871-I875 HydrophobicContact CG2-CG1 4.34Å; I871-I875 WeakPolarHBondContact O-CG1 3.48Å; I871-I875 PolarHBondContact O-N 3.44Å; L872-I875 PolarHBondContact O-N 3.05Å; T873-I875 VanDerWaalsContact C-N 3.27Å; T873-I875 PolarHBondContact O-N 3.27Å; I875-I972 HydrophobicContact CD1-CG2 3.94Å; I875-M975 HydrophobicContact CD1-CB 4.25Å; I875-M975 HydrophobicContact CG2-CB 4.26Å; I875-L976 HydrophobicContact CD1-CB 3.85Å; I875-L976 HydrophobicContact CD1-CD1 4.15Å; I875-L976 HydrophobicContact CG1-CD1 4.18Å; I875-R979 HydrophobicContact CG2-CB 4.15Å; I875-R979 HydrophobicContact CG2-CG 4.38Å
876F92.4Very high92.9Very high11 Ų1126.9 Ų26.95%0.04814%0.142CC..Hα-helixtrans-93.9-4.1-172.3-80.2-61.7000115.3E694 K697 L701 W733 L872 T873 M975E694-F876 HydrophobicContact CB-CD2 3.77Å; E694-F876 HydrophobicContact CB-CE2 4.18Å; E694-F876 HydrophobicContact CB-CG 4.43Å; E694-F876 HydrophobicContact CG-CB 3.96Å; E694-F876 HydrophobicContact CG-CD2 3.75Å; E694-F876 HydrophobicContact CG-CG 4.15Å; K697-F876 HydrophobicContact CB-CD1 3.62Å; K697-F876 HydrophobicContact CB-CE1 3.57Å; K697-F876 HydrophobicContact CB-CG 4.33Å; K697-F876 HydrophobicContact CB-CZ 4.24Å; K697-F876 HydrophobicContact CD-CB 4.03Å; K697-F876 HydrophobicContact CD-CD1 3.81Å; K697-F876 HydrophobicContact CD-CG 4.15Å; K697-F876 HydrophobicContact CG-CD1 4.35Å; K697-F876 PolarHBondContact NZ-O 3.33Å; L701-F876 HydrophobicContact CD1-CE1 3.52Å; L701-F876 HydrophobicContact CD1-CZ 3.81Å; L701-F876 HydrophobicContact CG-CE1 4.29Å; W733-F876 HydrophobicContact CH2-CE1 4.45Å; W733-F876 HydrophobicContact CZ3-CD1 4.47Å; W733-F876 HydrophobicContact CZ3-CE1 4.45Å; L872-F876 HydrophobicContact CD1-CD2 3.62Å; L872-F876 HydrophobicContact CD1-CE2 3.46Å; L872-F876 VanDerWaalsContact CD1-CE2 3.46Å; L872-F876 HydrophobicContact CG-CD2 4.22Å; L872-F876 HydrophobicContact CG-CE2 4.46Å; L872-F876 WeakPolarHBondContact O-CD2 3.5Å; L872-F876 PolarHBondContact O-N 3.29Å; T873-F876 PolarHBondContact O-N 2.72Å; T873-F876 VanDerWaalsContact O-N 3.12Å; F876-M975 HydrophobicContact CE2-SD 3.63Å; F876-M975 HydrophobicContact CZ-CE 4.45Å; F876-M975 HydrophobicContact CZ-SD 3.79Å
877R90.7Very high92.9Very high29 Ų2925.5 Ų25.511%0.10913%0.133CC..SBendtrans-67149.6169.2-68.6-62.8-67.5167.76110.2H760 A836 D837 T873 Y879H760-R877 PolarHBondContact NE2-NH2 3Å; A836-R877 HydrophobicContact CB-CG 4.29Å; D837-R877 IonicContact OD1-CZ 3.78Å; D837-R877 IonicContact OD1-NE 3.44Å; D837-R877 PolarHBondContact OD1-NE 3.39Å; D837-R877 IonicContact OD1-NH2 3.22Å; D837-R877 PolarHBondContact OD1-NH2 2.86Å; D837-R877 IonicContact OD2-CZ 3.45Å; D837-R877 IonicContact OD2-NE 3.28Å; D837-R877 IonicContact OD2-NH2 3.34Å; D837-R877 PolarHBondContact OD2-NH2 3.37Å; T873-R877 HydrophobicContact CG2-CG 4.37Å; T873-R877 WeakPolarHBondContact O-CG 3.15Å; T873-R877 PolarHBondContact O-N 2.79Å; T873-R877 VanDerWaalsContact O-N 3.1Å; R877-Y879 HydrophobicContact CB-CD2 3.59Å; R877-Y879 HydrophobicContact CB-CE1 4.26Å; R877-Y879 HydrophobicContact CB-CE2 3.24Å; R877-Y879 HydrophobicContact CB-CG 4.24Å; R877-Y879 HydrophobicContact CG-CE2 3.73Å; R877-Y879 PolarHBondContact O-N 2.84Å
878H86.9Confident92.9Very high51 Ų5125.5 Ų25.524%0.23613%0.133CC..  trans-85.237.2-171.758.7-87.5000113.2M732M732-H878 HydrophobicContact CB-CB 4.1Å; M732-H878 HydrophobicContact CE-CB 4.46Å; M732-H878 VanDerWaalsContact CE-CD2 3.43Å; M732-H878 WeakPolarHBondContact CE-CD2 3.35Å
879Y90.6Very high92.8Very high4 Ų426.3 Ų26.32%0.01614%0.137CC..  trans-70142.9-177.9-59.3-50.5000111.9A836 D837 V840 M874 R877 E883 A887 R979A836-Y879 WeakPolarHBondContact CB-OH 3.22Å; A836-Y879 PolarHBondContact O-OH 3.47Å; D837-Y879 WeakPolarHBondContact CA-OH 3.45Å; D837-Y879 PolarHBondContact N-OH 2.92Å; D837-Y879 VanDerWaalsContact N-OH 3.11Å; D837-Y879 WeakPolarHBondContact OD1-CE1 3.24Å; D837-Y879 PolarHBondContact OD1-OH 3.38Å; V840-Y879 HydrophobicContact CG2-CD2 4.39Å; V840-Y879 HydrophobicContact CG2-CE1 4.28Å; V840-Y879 HydrophobicContact CG2-CE2 3.82Å; M874-Y879 HydrophobicContact SD-CE2 4.49Å; R877-Y879 HydrophobicContact CB-CD2 3.59Å; R877-Y879 HydrophobicContact CB-CE1 4.26Å; R877-Y879 HydrophobicContact CB-CE2 3.24Å; R877-Y879 HydrophobicContact CB-CG 4.24Å; R877-Y879 HydrophobicContact CG-CE2 3.73Å; R877-Y879 PolarHBondContact O-N 2.84Å; Y879-E883 HydrophobicContact CD1-CB 3.95Å; Y879-E883 HydrophobicContact CG-CB 4.17Å; Y879-A887 HydrophobicContact CD2-CB 3.46Å; Y879-A887 VanDerWaalsContact CD2-CB 3.46Å; Y879-A887 HydrophobicContact CE2-CB 3.85Å; Y879-A887 HydrophobicContact CG-CB 4.33Å; Y879-R979 PolarHBondContact O-NH2 3.45Å; Y879-R979 VanDerWaalsContact O-NH2 3.08Å
880E88.1Confident92.9Very high70 Ų7025.9 Ų25.933%0.32714%0.136SC..  trans-131.3155.8177.1-83.9-61.1165.200112.8P734 Q735 S736 N882 E883P734-E880 WeakPolarHBondContact CA-OE1 3.45Å; P734-E880 HydrophobicContact CB-CG 4.31Å; P734-E880 WeakPolarHBondContact CB-OE1 3.28Å; Q735-E880 WeakPolarHBondContact CA-OE1 3.27Å; Q735-E880 PolarHBondContact N-OE1 3.07Å; S736-E880 PolarHBondContact N-OE1 3.09Å; S736-E880 PolarHBondContact OG-OE1 3.08Å; E880-N882 PolarHBondContact O-N 2.81Å; E880-E883 PolarHBondContact O-N 2.78Å; E880-E883 VanDerWaalsContact O-N 3.12Å
881G87.8Confident92.9Very high50 Ų5025.9 Ų25.952%0.51514%0.136SC..Hα-helixtrans52.7-120.9178.600000113.1A884 F885G881-A884 PolarHBondContact O-N 3.04Å; G881-F885 PolarHBondContact O-N 3.29Å
882N87.7Confident92.7Very high118 Ų11825.9 Ų25.963%0.63114%0.136SC*.Hα-helixtrans-63.5-41.7-178.8-70.9-22000112E880 A884 F885 Y886E880-N882 PolarHBondContact O-N 2.81Å; N882-A884 PolarHBondContact O-N 2.95Å; N882-F885 WeakPolarHBondContact O-CA 3.48Å; N882-F885 WeakPolarHBondContact O-CB 3.48Å; N882-F885 PolarHBondContact O-N 3.44Å; N882-Y886 HydrophobicContact CB-CD2 4.45Å; N882-Y886 VanDerWaalsContact O-CD2 3.23Å; N882-Y886 WeakPolarHBondContact O-CD2 3.31Å; N882-Y886 PolarHBondContact O-N 3.45Å
883E90.4Very high92.6Very high53 Ų5326.1 Ų26.125%0.24814%0.137CC..Hα-helixtrans-58.2-41.3179.9-63.6179.1166.100111V840 Y841 L844 Y879 E880 F885 Y886 A887V840-E883 HydrophobicContact CG1-CB 3.89Å; V840-E883 HydrophobicContact CG1-CG 4.21Å; Y841-E883 WeakPolarHBondContact CE1-OE1 3.35Å; Y841-E883 PolarHBondContact OH-OE1 3.26Å; L844-E883 HydrophobicContact CD1-CG 4.5Å; Y879-E883 HydrophobicContact CD1-CB 3.95Å; Y879-E883 HydrophobicContact CG-CB 4.17Å; E880-E883 PolarHBondContact O-N 2.78Å; E880-E883 VanDerWaalsContact O-N 3.12Å; E883-F885 VanDerWaalsContact C-N 3.35Å; E883-F885 PolarHBondContact O-N 3.08Å; E883-Y886 PolarHBondContact O-N 3.34Å; E883-A887 VanDerWaalsContact O-CB 3.26Å; E883-A887 WeakPolarHBondContact O-CB 3.33Å; E883-A887 PolarHBondContact O-N 2.96Å
884A92.5Very high92.6Very high3 Ų326.1 Ų26.13%0.02514%0.137CC..Hα-helixtrans-65.5-39.9177.100000111.7G881 N882 M888 I983G881-A884 PolarHBondContact O-N 3.04Å; N882-A884 PolarHBondContact O-N 2.95Å; A884-M888 WeakPolarHBondContact O-CG 3.31Å; A884-M888 PolarHBondContact O-N 3.46Å; A884-I983 HydrophobicContact CB-CD1 3.84Å
885F93.5Very high92.6Very high34 Ų3426 Ų2615%0.14914%0.137CC..Hα-helixtrans-62.5-47.5174.9-177.1-90.6000111.9G881 N882 E883 M888 L889 V986 K989 F990G881-F885 PolarHBondContact O-N 3.29Å; N882-F885 WeakPolarHBondContact O-CA 3.48Å; N882-F885 WeakPolarHBondContact O-CB 3.48Å; N882-F885 PolarHBondContact O-N 3.44Å; E883-F885 VanDerWaalsContact C-N 3.35Å; E883-F885 PolarHBondContact O-N 3.08Å; F885-M888 PolarHBondContact O-N 3.22Å; F885-L889 HydrophobicContact CE1-CD2 4.49Å; F885-L889 WeakPolarHBondContact O-CB 3.38Å; F885-L889 PolarHBondContact O-N 3.28Å; F885-V986 HydrophobicContact CD2-CG2 3.68Å; F885-V986 HydrophobicContact CE2-CG2 4.27Å; F885-V986 HydrophobicContact CG-CG2 4.44Å; F885-K989 HydrophobicContact CE2-CD 3.86Å; F885-K989 HydrophobicContact CZ-CD 3.84Å; F885-F990 AromaticContact CE2-CE2 3.98Å; F885-F990 HydrophobicContact CE2-CE2 3.98Å; F885-F990 AromaticContact CZ-CE2 3.97Å; F885-F990 HydrophobicContact CZ-CE2 3.97Å; F885-F990 HydrophobicContact CZ-CZ 4.09Å
886Y91.6Very high92.4Very high64 Ų6427.8 Ų27.825%0.25115%0.145SC..Hα-helixtrans-67.7-37.4178.8-81.1-84.9000112.1L844 V848 N882 E883 M888 L889 I890L844-Y886 HydrophobicContact CD2-CD2 3.3Å; L844-Y886 HydrophobicContact CD2-CE1 4.48Å; L844-Y886 HydrophobicContact CD2-CE2 3.18Å; L844-Y886 HydrophobicContact CD2-CG 4.06Å; L844-Y886 HydrophobicContact CG-CD2 3.84Å; L844-Y886 HydrophobicContact CG-CE2 4.09Å; L844-Y886 HydrophobicContact CG-CG 4.12Å; V848-Y886 HydrophobicContact CG2-CE1 4.5Å; N882-Y886 HydrophobicContact CB-CD2 4.45Å; N882-Y886 VanDerWaalsContact O-CD2 3.23Å; N882-Y886 WeakPolarHBondContact O-CD2 3.31Å; N882-Y886 PolarHBondContact O-N 3.45Å; E883-Y886 PolarHBondContact O-N 3.34Å; Y886-M888 VanDerWaalsContact C-N 3.33Å; Y886-M888 PolarHBondContact O-N 3.44Å; Y886-L889 HydrophobicContact CD1-CD2 3.99Å; Y886-L889 HydrophobicContact CE1-CD2 4.23Å; Y886-L889 WeakPolarHBondContact O-CB 3.27Å; Y886-L889 PolarHBondContact O-N 3.02Å; Y886-I890 VanDerWaalsContact O-CG1 3.32Å; Y886-I890 WeakPolarHBondContact O-CG1 3.24Å; Y886-I890 PolarHBondContact O-N 3.42Å
887A94.5Very high92.4Very high1 Ų132.9 Ų32.91%0.00816%0.163CC..Hα-helixtrans-58.4-46.9173.800000111.5V840 M874 Y879 E883 V891V840-A887 HydrophobicContact CG2-CB 3.86Å; M874-A887 HydrophobicContact CE-CB 3.61Å; M874-A887 VanDerWaalsContact CE-O 3.29Å; M874-A887 WeakPolarHBondContact CE-O 3.45Å; Y879-A887 HydrophobicContact CD2-CB 3.46Å; Y879-A887 VanDerWaalsContact CD2-CB 3.46Å; Y879-A887 HydrophobicContact CE2-CB 3.85Å; Y879-A887 HydrophobicContact CG-CB 4.33Å; E883-A887 VanDerWaalsContact O-CB 3.26Å; E883-A887 WeakPolarHBondContact O-CB 3.33Å; E883-A887 PolarHBondContact O-N 2.96Å; A887-V891 WeakPolarHBondContact O-CG2 3.16Å; A887-V891 PolarHBondContact O-N 2.89Å
888M96.2Very high92.6Very high1 Ų131.5 Ų31.51%0.00516%0.158CC..Hα-helixtrans-69.3-39.4175.9-64.6-60.197.700111.6M874 A884 F885 Y886 I890 V891 M892 L976 R979 I983 V986M874-M888 HydrophobicContact CB-CE 4.41Å; A884-M888 WeakPolarHBondContact O-CG 3.31Å; A884-M888 PolarHBondContact O-N 3.46Å; F885-M888 PolarHBondContact O-N 3.22Å; Y886-M888 VanDerWaalsContact C-N 3.33Å; Y886-M888 PolarHBondContact O-N 3.44Å; M888-I890 VanDerWaalsContact C-N 3.32Å; M888-I890 PolarHBondContact O-N 3.12Å; M888-V891 HydrophobicContact CE-CG2 4.47Å; M888-V891 PolarHBondContact O-N 3.19Å; M888-V891 VanDerWaalsContact O-N 3.13Å; M888-M892 WeakPolarHBondContact O-CB 3.47Å; M888-M892 WeakPolarHBondContact O-CG 3.43Å; M888-M892 PolarHBondContact O-N 2.82Å; M888-L976 HydrophobicContact SD-CD1 4.06Å; M888-R979 HydrophobicContact CE-CG 4.35Å; M888-R979 HydrophobicContact SD-CB 4.48Å; M888-R979 HydrophobicContact SD-CG 3.88Å; M888-I983 HydrophobicContact CG-CD1 4.18Å; M888-V986 HydrophobicContact CB-CB 4.38Å; M888-V986 HydrophobicContact CB-CG1 3.52Å; M888-V986 HydrophobicContact CB-CG2 3.89Å; M888-V986 HydrophobicContact CG-CG1 3.87Å; M888-V986 HydrophobicContact CG-CG2 4.18Å
889L94.8Very high92.9Very high28 Ų2836 Ų3615%0.14718%0.18CC..Hα-helixtrans-54.2-46.7174.7176.165.9000111.6V848 F885 Y886 V891 M892 L893 F990V848-L889 HydrophobicContact CG1-CD2 3.98Å; V848-L889 HydrophobicContact CG1-CG 4.34Å; F885-L889 HydrophobicContact CE1-CD2 4.49Å; F885-L889 WeakPolarHBondContact O-CB 3.38Å; F885-L889 PolarHBondContact O-N 3.28Å; Y886-L889 HydrophobicContact CD1-CD2 3.99Å; Y886-L889 HydrophobicContact CE1-CD2 4.23Å; Y886-L889 WeakPolarHBondContact O-CB 3.27Å; Y886-L889 PolarHBondContact O-N 3.02Å; L889-V891 PolarHBondContact O-N 3.38Å; L889-M892 PolarHBondContact O-N 2.88Å; L889-L893 HydrophobicContact CD1-CD1 3.88Å; L889-L893 HydrophobicContact CD1-CD2 4.47Å; L889-L893 HydrophobicContact CD1-CG 3.95Å; L889-L893 HydrophobicContact CG-CD1 3.98Å; L889-L893 HydrophobicContact CG-CG 4.37Å; L889-L893 WeakPolarHBondContact O-CB 3.34Å; L889-L893 VanDerWaalsContact O-CG 3.23Å; L889-L893 WeakPolarHBondContact O-CG 3.3Å; L889-L893 PolarHBondContact O-N 2.77Å; L889-F990 HydrophobicContact CB-CZ 4.46Å; L889-F990 HydrophobicContact CD1-CE1 3.95Å; L889-F990 HydrophobicContact CD1-CZ 3.56Å
890I95.8Very high93.1Very high4 Ų439.8 Ų39.82%0.02120%0.197CC..Hα-helixtrans-57.9-49.4176.5-66.7161.1000110.7L839 V840 T843 V852 L855 F870 M874 Y886 M888 M892 L893 L894L839-I890 HydrophobicContact CB-CD1 4.12Å; V840-I890 HydrophobicContact CG2-CD1 4.29Å; T843-I890 HydrophobicContact CG2-CD1 3.91Å; T843-I890 HydrophobicContact CG2-CG1 3.93Å; V852-I890 HydrophobicContact CG2-CG2 4.46Å; L855-I890 HydrophobicContact CD2-CG2 3.79Å; F870-I890 HydrophobicContact CE1-CG2 3.94Å; F870-I890 HydrophobicContact CZ-CG2 3.92Å; M874-I890 HydrophobicContact CE-CB 4.21Å; M874-I890 HydrophobicContact CE-CD1 3.97Å; M874-I890 HydrophobicContact CE-CG2 4.44Å; Y886-I890 VanDerWaalsContact O-CG1 3.32Å; Y886-I890 WeakPolarHBondContact O-CG1 3.24Å; Y886-I890 PolarHBondContact O-N 3.42Å; M888-I890 VanDerWaalsContact C-N 3.32Å; M888-I890 PolarHBondContact O-N 3.12Å; I890-M892 PolarHBondContact O-N 3.34Å; I890-L893 PolarHBondContact O-N 2.78Å; I890-L894 HydrophobicContact CG2-CD1 4.46Å; I890-L894 WeakPolarHBondContact O-CG 3.28Å; I890-L894 PolarHBondContact O-N 2.86Å
891V96.9Very high93.5Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-61.4-44.5179.7171.80000111.4F870 I871 M874 A887 M888 L889 L894 I895 L976F870-V891 HydrophobicContact CE1-CG2 4.34Å; I871-V891 HydrophobicContact CD1-CG1 4.34Å; I871-V891 HydrophobicContact CG1-CG1 3.97Å; I871-V891 HydrophobicContact CG2-CG1 4.03Å; M874-V891 HydrophobicContact CB-CG2 3.67Å; M874-V891 HydrophobicContact CG-CG2 3.87Å; A887-V891 WeakPolarHBondContact O-CG2 3.16Å; A887-V891 PolarHBondContact O-N 2.89Å; M888-V891 HydrophobicContact CE-CG2 4.47Å; M888-V891 PolarHBondContact O-N 3.19Å; M888-V891 VanDerWaalsContact O-N 3.13Å; L889-V891 PolarHBondContact O-N 3.38Å; V891-L894 WeakPolarHBondContact O-CB 3.33Å; V891-L894 PolarHBondContact O-N 2.92Å; V891-I895 HydrophobicContact CG1-CD1 4.09Å; V891-I895 WeakPolarHBondContact O-CG1 3.32Å; V891-I895 PolarHBondContact O-N 3.28Å; V891-L976 HydrophobicContact CG1-CD1 3.93Å; V891-L976 HydrophobicContact CG1-CD2 4.25Å
892M94.9Very high93.9Very high0 Ų039.1 Ų39.10%018%0.176CC..Hα-helixtrans-65.8-42.4-179.9-63-64.895.200111.3M888 L889 I890 L894 I895 Q896 L976 M980 F990 T994M888-M892 WeakPolarHBondContact O-CB 3.47Å; M888-M892 WeakPolarHBondContact O-CG 3.43Å; M888-M892 PolarHBondContact O-N 2.82Å; L889-M892 PolarHBondContact O-N 2.88Å; I890-M892 PolarHBondContact O-N 3.34Å; M892-L894 VanDerWaalsContact C-N 3.35Å; M892-L894 PolarHBondContact O-N 3.18Å; M892-I895 HydrophobicContact CE-CD1 4.06Å; M892-I895 PolarHBondContact O-N 3.3Å; M892-Q896 VanDerWaalsContact O-CB 3.23Å; M892-Q896 WeakPolarHBondContact O-CB 3.44Å; M892-Q896 WeakPolarHBondContact O-CG 3.46Å; M892-Q896 PolarHBondContact O-N 2.88Å; M892-L976 HydrophobicContact CE-CD1 3.8Å; M892-L976 HydrophobicContact CE-CD2 3.77Å; M892-L976 HydrophobicContact CE-CG 4.05Å; M892-M980 HydrophobicContact CE-SD 4.31Å; M892-M980 HydrophobicContact SD-CE 4.04Å; M892-M980 HydrophobicContact SD-SD 4.09Å; M892-F990 HydrophobicContact CB-CB 4.27Å; M892-F990 HydrophobicContact CB-CD1 3.97Å; M892-F990 HydrophobicContact CB-CE1 4.46Å; M892-F990 HydrophobicContact CB-CG 4.02Å; M892-F990 HydrophobicContact CG-CB 3.6Å; M892-F990 HydrophobicContact CG-CD1 4.08Å; M892-F990 HydrophobicContact CG-CD2 3.87Å; M892-F990 HydrophobicContact CG-CG 3.59Å; M892-F990 HydrophobicContact SD-CB 3.58Å; M892-F990 VanDerWaalsContact SD-CB 3.58Å; M892-F990 HydrophobicContact SD-CG 4.26Å; M892-T994 HydrophobicContact CE-CG2 4.25Å; M892-T994 HydrophobicContact SD-CG2 4.19Å; M892-T994 PolarHBondContact SD-OG1 3.2Å
893L94Very high94.4Very high14 Ų1436 Ų367%0.07316%0.164CC..Hα-helixtrans-65.4-37.7176.7-69.5178.4000111.9V848 V852 L889 I890 Q896 R897V848-L893 HydrophobicContact CG1-CD1 3.58Å; V852-L893 HydrophobicContact CB-CB 4.43Å; V852-L893 HydrophobicContact CG1-CB 3.92Å; V852-L893 HydrophobicContact CG2-CB 3.92Å; V852-L893 HydrophobicContact CG2-CD1 3.96Å; L889-L893 HydrophobicContact CD1-CD1 3.88Å; L889-L893 HydrophobicContact CD1-CD2 4.47Å; L889-L893 HydrophobicContact CD1-CG 3.95Å; L889-L893 HydrophobicContact CG-CD1 3.98Å; L889-L893 HydrophobicContact CG-CG 4.37Å; L889-L893 WeakPolarHBondContact O-CB 3.34Å; L889-L893 VanDerWaalsContact O-CG 3.23Å; L889-L893 WeakPolarHBondContact O-CG 3.3Å; L889-L893 PolarHBondContact O-N 2.77Å; I890-L893 PolarHBondContact O-N 2.78Å; L893-Q896 PolarHBondContact O-N 3.01Å; L893-R897 VanDerWaalsContact O-CB 3.24Å; L893-R897 WeakPolarHBondContact O-CB 3.29Å; L893-R897 WeakPolarHBondContact O-CG 3.41Å; L893-R897 PolarHBondContact O-N 3.35Å
894L94.6Very high94.7Very high1 Ų133.5 Ų33.51%0.00515%0.152CC..Hα-helixtrans-60.2-46172.3-79.3174.2000112V852 L855 N856 I859 L867 F870 I890 V891 M892 S898V852-L894 HydrophobicContact CG1-CD2 3.94Å; V852-L894 HydrophobicContact CG1-CG 4.12Å; L855-L894 HydrophobicContact CB-CD2 4.46Å; L855-L894 HydrophobicContact CD2-CD1 3.63Å; L855-L894 HydrophobicContact CD2-CD2 4.22Å; L855-L894 HydrophobicContact CD2-CG 4.2Å; L855-L894 HydrophobicContact CG-CD1 4.17Å; L855-L894 HydrophobicContact CG-CD2 4.13Å; N856-L894 HydrophobicContact CB-CD2 4.11Å; I859-L894 HydrophobicContact CD1-CD1 4.01Å; I859-L894 HydrophobicContact CD1-CD2 4.26Å; L867-L894 HydrophobicContact CD1-CB 4.4Å; L867-L894 HydrophobicContact CD1-CD1 4.21Å; F870-L894 HydrophobicContact CD1-CD1 3.64Å; F870-L894 HydrophobicContact CE1-CD1 3.57Å; I890-L894 HydrophobicContact CG2-CD1 4.46Å; I890-L894 WeakPolarHBondContact O-CG 3.28Å; I890-L894 PolarHBondContact O-N 2.86Å; V891-L894 WeakPolarHBondContact O-CB 3.33Å; V891-L894 PolarHBondContact O-N 2.92Å; M892-L894 VanDerWaalsContact C-N 3.35Å; M892-L894 PolarHBondContact O-N 3.18Å; L894-S898 WeakPolarHBondContact O-CB 3.22Å; L894-S898 PolarHBondContact O-N 2.89Å
895I94.6Very high95Very high0 Ų033.4 Ų33.40%015%0.151CC..Hα-helixtrans-66.5-43.2179.1-71.1173.2000111.2I871 V891 M892 F901 L976 I997 V998I871-I895 HydrophobicContact CD1-CD1 4.21Å; I871-I895 HydrophobicContact CD1-CG1 4.33Å; V891-I895 HydrophobicContact CG1-CD1 4.09Å; V891-I895 WeakPolarHBondContact O-CG1 3.32Å; V891-I895 PolarHBondContact O-N 3.28Å; M892-I895 HydrophobicContact CE-CD1 4.06Å; M892-I895 PolarHBondContact O-N 3.3Å; I895-F901 HydrophobicContact CB-CE1 4.46Å; I895-F901 HydrophobicContact CG1-CE1 4.19Å; I895-F901 HydrophobicContact CG2-CD1 4.42Å; I895-F901 HydrophobicContact CG2-CE1 4.09Å; I895-L976 HydrophobicContact CD1-CD2 3.72Å; I895-I997 HydrophobicContact CG2-CB 4.37Å; I895-I997 HydrophobicContact CG2-CD1 4.32Å; I895-I997 HydrophobicContact CG2-CG2 4.08Å; I895-V998 HydrophobicContact CG2-CG1 4.06Å
896Q91.9Very high95.2Very high48 Ų4836.6 Ų36.622%0.22417%0.17CC..Hα-helixtrans-78.8-33.6-172.2-70170.110.300113.5M892 L893 R902 A993 I997M892-Q896 VanDerWaalsContact O-CB 3.23Å; M892-Q896 WeakPolarHBondContact O-CB 3.44Å; M892-Q896 WeakPolarHBondContact O-CG 3.46Å; M892-Q896 PolarHBondContact O-N 2.88Å; L893-Q896 PolarHBondContact O-N 3.01Å; Q896-R902 WeakPolarHBondContact O-CD 3.27Å; Q896-A993 HydrophobicContact CG-CB 4.23Å; Q896-A993 VanDerWaalsContact NE2-CB 3.33Å; Q896-I997 HydrophobicContact CB-CD1 4.2Å; Q896-I997 HydrophobicContact CG-CD1 3.95Å
897R91.7Very high95.5Very high117 Ų11734.8 Ų34.844%0.44216%0.164SC..Hα-helixtrans-105-18.5-172.2-60.1-174.3176.2173.53.4114.7N849 L893 E899N849-R897 VanDerWaalsContact OD1-CZ 3.24Å; N849-R897 PolarHBondContact OD1-NH1 3.43Å; N849-R897 PolarHBondContact OD1-NH2 3.21Å; L893-R897 VanDerWaalsContact O-CB 3.24Å; L893-R897 WeakPolarHBondContact O-CB 3.29Å; L893-R897 WeakPolarHBondContact O-CG 3.41Å; L893-R897 PolarHBondContact O-N 3.35Å; R897-E899 PolarHBondContact O-N 3.09Å
898S94.6Very high95.6Very high0 Ų034.8 Ų34.80%016%0.164CC..  trans-67.9108.9174.9176.50000110.2N856 F860 L894 E900 F901 R902N856-S898 WeakPolarHBondContact ND2-CB 3.41Å; N856-S898 PolarHBondContact ND2-OG 3.37Å; F860-S898 WeakPolarHBondContact CE2-OG 3.33Å; F860-S898 WeakPolarHBondContact CZ-OG 3.35Å; L894-S898 WeakPolarHBondContact O-CB 3.22Å; L894-S898 PolarHBondContact O-N 2.89Å; S898-E900 VanDerWaalsContact C-N 3.26Å; S898-E900 PolarHBondContact O-N 3.27Å; S898-E900 PolarHBondContact OG-OE2 3.04Å; S898-F901 PolarHBondContact O-N 2.99Å; S898-F901 WeakPolarHBondContact OG-CB 3.45Å; S898-F901 PolarHBondContact OG-N 3.02Å; S898-R902 WeakPolarHBondContact O-CB 3.46Å; S898-R902 WeakPolarHBondContact O-CG 3.39Å; S898-R902 PolarHBondContact O-N 3.04Å
899E94.5Very high95.6Very high147 Ų14736.4 Ų36.469%0.68717%0.174SC*.Hα-helixtrans-64.4-36172.6-64-170.816400110.8R897 R902 S903R897-E899 PolarHBondContact O-N 3.09Å; E899-R902 PolarHBondContact O-N 3.43Å; E899-S903 VanDerWaalsContact O-CB 3.24Å; E899-S903 WeakPolarHBondContact O-CB 3.44Å; E899-S903 PolarHBondContact O-N 2.89Å
900E94.6Very high95.6Very high83 Ų8339 Ų3939%0.38820%0.2SC..Hα-helixtrans-61.5-46.8176.5-54.185.717100111N856 F860 S898 A904N856-E900 PolarHBondContact ND2-OE2 3.47Å; F860-E900 HydrophobicContact CB-CB 4.47Å; F860-E900 HydrophobicContact CB-CG 4.26Å; F860-E900 HydrophobicContact CD1-CB 3.85Å; F860-E900 HydrophobicContact CE1-CB 4.22Å; F860-E900 HydrophobicContact CG-CB 4.05Å; F860-E900 HydrophobicContact CG-CG 4.32Å; S898-E900 VanDerWaalsContact C-N 3.26Å; S898-E900 PolarHBondContact O-N 3.27Å; S898-E900 PolarHBondContact OG-OE2 3.04Å; E900-A904 VanDerWaalsContact O-CB 3.24Å; E900-A904 WeakPolarHBondContact O-CB 3.49Å; E900-A904 PolarHBondContact O-N 2.9Å
901F96.7Very high95.6Very high0 Ų040.3 Ų40.30%021%0.206CC..Hα-helixtrans-66.7-45.8177.9-173.1-120000111.7F860 L867 I895 S898 S903 A904 V905 I969 I997 V998F860-F901 HydrophobicContact CE1-CB 4.36Å; F860-F901 HydrophobicContact CZ-CB 3.82Å; L867-F901 HydrophobicContact CD2-CD1 4.3Å; L867-F901 HydrophobicContact CD2-CD2 3.46Å; L867-F901 VanDerWaalsContact CD2-CD2 3.46Å; L867-F901 HydrophobicContact CD2-CE1 4.39Å; L867-F901 HydrophobicContact CD2-CE2 3.58Å; L867-F901 HydrophobicContact CD2-CG 3.85Å; L867-F901 HydrophobicContact CD2-CZ 4.06Å; I895-F901 HydrophobicContact CB-CE1 4.46Å; I895-F901 HydrophobicContact CG1-CE1 4.19Å; I895-F901 HydrophobicContact CG2-CD1 4.42Å; I895-F901 HydrophobicContact CG2-CE1 4.09Å; S898-F901 PolarHBondContact O-N 2.99Å; S898-F901 WeakPolarHBondContact OG-CB 3.45Å; S898-F901 PolarHBondContact OG-N 3.02Å; F901-S903 PolarHBondContact O-N 3.29Å; F901-A904 WeakPolarHBondContact O-CB 3.45Å; F901-A904 PolarHBondContact O-N 2.92Å; F901-V905 HydrophobicContact CD1-CG2 4.44Å; F901-V905 HydrophobicContact CD2-CG2 4.37Å; F901-V905 HydrophobicContact CE1-CG2 4.06Å; F901-V905 HydrophobicContact CE2-CG2 3.98Å; F901-V905 HydrophobicContact CZ-CG2 3.82Å; F901-V905 WeakPolarHBondContact O-CG2 3.27Å; F901-V905 PolarHBondContact O-N 2.98Å; F901-I969 HydrophobicContact CE2-CD1 4.28Å; F901-I969 HydrophobicContact CZ-CD1 3.95Å; F901-I997 HydrophobicContact CE1-CG2 4.49Å; F901-V998 HydrophobicContact CE1-CG1 3.83Å; F901-V998 HydrophobicContact CZ-CG1 4.13Å
902R96.5Very high95.3Very high106 Ų10640.4 Ų40.440%0.421%0.207SC..Hα-helixtrans-61.4-43.7178.5-73.6176.861.9-130.3-1.4111.7Q896 S898 E899 A904 V905 N906 I997Q896-R902 WeakPolarHBondContact O-CD 3.27Å; S898-R902 WeakPolarHBondContact O-CB 3.46Å; S898-R902 WeakPolarHBondContact O-CG 3.39Å; S898-R902 PolarHBondContact O-N 3.04Å; E899-R902 PolarHBondContact O-N 3.43Å; R902-A904 VanDerWaalsContact C-N 3.35Å; R902-V905 PolarHBondContact O-N 2.96Å; R902-N906 WeakPolarHBondContact O-CB 3.35Å; R902-N906 PolarHBondContact O-N 3.07Å; R902-N906 PolarHBondContact O-ND2 3.02Å; R902-I997 HydrophobicContact CG-CD1 4.38Å; R902-I997 HydrophobicContact CG-CG2 4.12Å
903S97.5Very high95Very high52 Ų5241.7 Ų41.736%0.36422%0.215SC..Hα-helixtrans-63-42.9174.8-167.70000111E899 F901 V905 N906 D907E899-S903 VanDerWaalsContact O-CB 3.24Å; E899-S903 WeakPolarHBondContact O-CB 3.44Å; E899-S903 PolarHBondContact O-N 2.89Å; F901-S903 PolarHBondContact O-N 3.29Å; S903-V905 VanDerWaalsContact C-N 3.33Å; S903-V905 PolarHBondContact O-N 2.82Å; S903-N906 PolarHBondContact O-N 3.38Å; S903-D907 WeakPolarHBondContact O-CB 3.38Å; S903-D907 PolarHBondContact O-N 2.94Å; S903-D907 PolarHBondContact OG-OD2 2.76Å
904A97.5Very high94.4Very high0 Ų042.6 Ų42.60%022%0.222CC..Hα-helixtrans-60.9-41.4176.800000112E900 F901 R902 C908 Y929 H933E900-A904 VanDerWaalsContact O-CB 3.24Å; E900-A904 WeakPolarHBondContact O-CB 3.49Å; E900-A904 PolarHBondContact O-N 2.9Å; F901-A904 WeakPolarHBondContact O-CB 3.45Å; F901-A904 PolarHBondContact O-N 2.92Å; R902-A904 VanDerWaalsContact C-N 3.35Å; A904-C908 WeakPolarHBondContact O-CB 3.33Å; A904-C908 PolarHBondContact O-N 3.17Å; A904-Y929 WeakPolarHBondContact O-CE2 3.36Å; A904-H933 VanDerWaalsContact CA-CE1 3.48Å; A904-H933 WeakPolarHBondContact CA-CE1 3.13Å; A904-H933 PolarHBondContact N-CE1 2.94Å
905V98.2Very high93.8Very high1 Ų146.4 Ų46.41%0.00624%0.242CC..Hα-helixtrans-66.1-47.1175.9174.30000111.3F901 R902 S903 C908 V909 I997 L1001F901-V905 HydrophobicContact CD1-CG2 4.44Å; F901-V905 HydrophobicContact CD2-CG2 4.37Å; F901-V905 HydrophobicContact CE1-CG2 4.06Å; F901-V905 HydrophobicContact CE2-CG2 3.98Å; F901-V905 HydrophobicContact CZ-CG2 3.82Å; F901-V905 WeakPolarHBondContact O-CG2 3.27Å; F901-V905 PolarHBondContact O-N 2.98Å; R902-V905 PolarHBondContact O-N 2.96Å; S903-V905 VanDerWaalsContact C-N 3.33Å; S903-V905 PolarHBondContact O-N 2.82Å; V905-C908 WeakPolarHBondContact O-CB 3.35Å; V905-C908 PolarHBondContact O-N 3.42Å; V905-V909 HydrophobicContact CG1-CG2 4.5Å; V905-V909 VanDerWaalsContact O-CG2 3.28Å; V905-V909 WeakPolarHBondContact O-CG2 3.13Å; V905-V909 PolarHBondContact O-N 3.17Å; V905-I997 VanDerWaalsContact CG1-O 3.29Å; V905-I997 WeakPolarHBondContact CG1-O 3.38Å; V905-L1001 HydrophobicContact CG1-CD1 4.38Å; V905-L1001 HydrophobicContact CG1-CD2 3.84Å; V905-L1001 HydrophobicContact CG1-CG 3.87Å; V905-L1001 HydrophobicContact CG2-CD1 4.03Å; V905-L1001 HydrophobicContact CG2-CD2 4.43Å; V905-L1001 HydrophobicContact CG2-CG 4.4Å
906N97.5Very high93.2Very high101 Ų10147 Ų4754%0.5425%0.245SC..Hα-helixtrans-61.9-46.7179.5-70-21000112R902 S903 V909 A910R902-N906 WeakPolarHBondContact O-CB 3.35Å; R902-N906 PolarHBondContact O-N 3.07Å; R902-N906 PolarHBondContact O-ND2 3.02Å; S903-N906 PolarHBondContact O-N 3.38Å; N906-V909 PolarHBondContact O-N 2.65Å; N906-A910 VanDerWaalsContact O-CB 3.31Å; N906-A910 WeakPolarHBondContact O-CB 3.49Å; N906-A910 PolarHBondContact O-N 2.73Å
907D98.2Very high92.8Very high27 Ų2745.9 Ų45.914%0.14424%0.241CC..Hα-helixtrans-67-37.5176.5-79.1-51.8000111.9S903 V909 A910 I911 K932 H933S903-D907 WeakPolarHBondContact O-CB 3.38Å; S903-D907 PolarHBondContact O-N 2.94Å; S903-D907 PolarHBondContact OG-OD2 2.76Å; D907-V909 VanDerWaalsContact C-N 3.34Å; D907-V909 PolarHBondContact O-N 3.06Å; D907-A910 PolarHBondContact O-N 2.73Å; D907-I911 HydrophobicContact CB-CD1 4.05Å; D907-I911 VanDerWaalsContact O-CB 3.23Å; D907-I911 WeakPolarHBondContact O-CB 3.47Å; D907-I911 WeakPolarHBondContact O-CG1 3.5Å; D907-I911 PolarHBondContact O-N 3.34Å; D907-K932 HydrophobicContact CB-CD 4.48Å; D907-K932 IonicContact OD1-NZ 2.77Å; D907-K932 PolarHBondContact OD1-NZ 2.91Å; D907-H933 IonicContact OD2-CD2 2.84Å; D907-H933 IonicContact OD2-CE1 2.67Å; D907-H933 IonicContact OD2-NE2 3.04Å; D907-H933 PolarHBondContact OD2-NE2 2.96Å
908C97.2Very high92.5Very high0 Ų042.7 Ų42.70%023%0.232CC..Hα-helixtrans-56.1-50.1173.61710000110.6A904 V905 A910 M912 Y929 C966 L1001 F1004A904-C908 WeakPolarHBondContact O-CB 3.33Å; A904-C908 PolarHBondContact O-N 3.17Å; V905-C908 WeakPolarHBondContact O-CB 3.35Å; V905-C908 PolarHBondContact O-N 3.42Å; C908-A910 VanDerWaalsContact C-N 3.35Å; C908-M912 HydrophobicContact CB-CE 3.78Å; C908-M912 WeakPolarHBondContact O-CB 3.49Å; C908-M912 PolarHBondContact O-N 2.63Å; C908-M912 WeakPolarHBondContact SG-CE 3.32Å; C908-Y929 HydrophobicContact CB-CD2 4.23Å; C908-Y929 HydrophobicContact CB-CE2 3.68Å; C908-C966 HydrophobicContact CB-CB 3.89Å; C908-C966 WeakPolarHBondContact SG-CB 3.41Å; C908-L1001 HydrophobicContact CB-CD2 4.47Å; C908-F1004 WeakPolarHBondContact SG-CE2 3.4Å
909V95.5Very high92.1Very high35 Ų3543.5 Ų43.521%0.21224%0.238CC..Hα-helixtrans-68.1-34.2-179.9174.10000111.7V905 N906 D907 P1000 L1001 R1003 F1004V905-V909 HydrophobicContact CG1-CG2 4.5Å; V905-V909 VanDerWaalsContact O-CG2 3.28Å; V905-V909 WeakPolarHBondContact O-CG2 3.13Å; V905-V909 PolarHBondContact O-N 3.17Å; N906-V909 PolarHBondContact O-N 2.65Å; D907-V909 VanDerWaalsContact C-N 3.34Å; D907-V909 PolarHBondContact O-N 3.06Å; V909-P1000 HydrophobicContact CG1-CB 4.37Å; V909-P1000 HydrophobicContact CG2-CB 3.79Å; V909-L1001 HydrophobicContact CG2-CD2 4.28Å; V909-R1003 PolarHBondContact O-NH1 3.21Å; V909-F1004 HydrophobicContact CG2-CE2 4.22Å
910A94.7Very high91.8Very high83 Ų8339 Ų3969%0.68622%0.217SC*.Hα-helixtrans-76.7-38.8179.500000113.3N906 D907 C908N906-A910 VanDerWaalsContact O-CB 3.31Å; N906-A910 WeakPolarHBondContact O-CB 3.49Å; N906-A910 PolarHBondContact O-N 2.73Å; D907-A910 PolarHBondContact O-N 2.73Å; C908-A910 VanDerWaalsContact C-N 3.35Å
911I95.2Very high91.6Very high31 Ų3138.3 Ų38.316%0.15922%0.216CC..Hα-helixtrans-88.8-41.6-173.6-62.3167.1000111.6D907 P913 K925 T928 K932D907-I911 HydrophobicContact CB-CD1 4.05Å; D907-I911 VanDerWaalsContact O-CB 3.23Å; D907-I911 WeakPolarHBondContact O-CB 3.47Å; D907-I911 WeakPolarHBondContact O-CG1 3.5Å; D907-I911 PolarHBondContact O-N 3.34Å; I911-P913 WeakPolarHBondContact O-CD 3.45Å; I911-K925 HydrophobicContact CG2-CB 4.15Å; I911-K925 HydrophobicContact CG2-CG 4.48Å; I911-K925 VanDerWaalsContact CG2-O 3.32Å; I911-K925 WeakPolarHBondContact CG2-O 3.5Å; I911-T928 HydrophobicContact CD1-CG2 4.24Å; I911-K932 HydrophobicContact CD1-CD 4.09Å
912M92.2Very high91.3Very high2 Ų238.8 Ų38.81%0.0122%0.221CC..SBendtrans-95.7117.4-175.4-66.5-176.6-80.700111.3C908 Y929 N964 F1004C908-M912 HydrophobicContact CB-CE 3.78Å; C908-M912 WeakPolarHBondContact O-CB 3.49Å; C908-M912 PolarHBondContact O-N 2.63Å; C908-M912 WeakPolarHBondContact SG-CE 3.32Å; M912-Y929 HydrophobicContact CE-CD2 4.12Å; M912-Y929 HydrophobicContact CE-CE2 4.4Å; M912-Y929 HydrophobicContact CE-CG 4.29Å; M912-N964 WeakPolarHBondContact CE-ND2 3.48Å; M912-F1004 HydrophobicContact CB-CE1 3.81Å; M912-F1004 HydrophobicContact CB-CZ 3.92Å; M912-F1004 VanDerWaalsContact O-CE1 3.31Å; M912-F1004 WeakPolarHBondContact O-CE1 3.2Å; M912-F1004 WeakPolarHBondContact O-CZ 3.44Å
913P88.3Confident91.2Very high27 Ų2735.1 Ų35.118%0.17521%0.207CC..  trans-71.7157.1170.830.9-35.6000111.1I911 D915 L916 C919 K925I911-P913 WeakPolarHBondContact O-CD 3.45Å; P913-D915 VanDerWaalsContact C-N 3.35Å; P913-L916 HydrophobicContact CG-CD1 4.08Å; P913-C919 WeakPolarHBondContact CG-SG 3.16Å; P913-K925 HydrophobicContact CG-CD 4.2Å
914P80.7Confident91Very high33 Ų3335.8 Ų35.821%0.21420%0.204CC..THydrogen-bonded Turntrans-73.2-29.1-175.829.2-30.6000112.1L916 R1003 I1044P914-L916 VanDerWaalsContact C-N 3.25Å; P914-L916 PolarHBondContact O-N 2.67Å; P914-R1003 HydrophobicContact CB-CB 4.43Å; P914-R1003 HydrophobicContact CB-CG 4.48Å; P914-I1044 HydrophobicContact CB-CG2 4.23Å; P914-I1044 HydrophobicContact CG-CB 4.21Å; P914-I1044 HydrophobicContact CG-CD1 3.95Å; P914-I1044 HydrophobicContact CG-CG1 3.83Å; P914-I1044 HydrophobicContact CG-CG2 3.35Å
915D81.1Confident90.9Very high81 Ų8137.7 Ų37.743%0.43321%0.213SC..THydrogen-bonded Turntrans-91.640.5175.861.5-39.4000111.8P913 N917 L918P913-D915 VanDerWaalsContact C-N 3.35Å; D915-N917 PolarHBondContact O-N 3.45Å; D915-L918 HydrophobicContact CB-CD1 4.01Å; D915-L918 HydrophobicContact CB-CG 4.3Å; D915-L918 WeakPolarHBondContact O-CB 3.49Å; D915-L918 PolarHBondContact O-N 2.99Å
916L83.9Confident90.7Very high12 Ų1237.7 Ų37.76%0.06321%0.213CC..G310 helixtrans-54.5-29.2-174.7-164.963.7000113.8P913 P914 L918 C919 K925 H926P913-L916 HydrophobicContact CG-CD1 4.08Å; P914-L916 VanDerWaalsContact C-N 3.25Å; P914-L916 PolarHBondContact O-N 2.67Å; L916-L918 PolarHBondContact O-N 3.12Å; L916-C919 WeakPolarHBondContact O-CB 3.25Å; L916-C919 PolarHBondContact O-N 3.21Å; L916-K925 HydrophobicContact CD1-CD 4.39Å; L916-H926 WeakPolarHBondContact CD2-NE2 3.46Å
917N82.7Confident90.6Very high26 Ų2635 Ų3514%0.13920%0.196CC..G310 helixtrans-63.8-21.8176.9-57.8-32.9000113.2R615 D915 F1110R615-N917 WeakPolarHBondContact CD-OD1 3.16Å; R615-N917 PolarHBondContact NH1-OD1 2.85Å; R615-N917 VanDerWaalsContact NH1-OD1 3.12Å; D915-N917 PolarHBondContact O-N 3.45Å; N917-F1110 HydrophobicContact CB-CD1 4.28Å; N917-F1110 HydrophobicContact CB-CD2 4.13Å; N917-F1110 HydrophobicContact CB-CE1 3.79Å; N917-F1110 HydrophobicContact CB-CE2 3.62Å; N917-F1110 HydrophobicContact CB-CG 4.42Å; N917-F1110 HydrophobicContact CB-CZ 3.41Å; N917-F1110 VanDerWaalsContact CB-CZ 3.41Å; N917-F1110 VanDerWaalsContact ND2-CD1 3.3Å; N917-F1110 WeakPolarHBondContact ND2-CD1 3.47Å; N917-F1110 WeakPolarHBondContact ND2-CE1 3.38Å
918L84.8Confident90.5Very high50 Ų5036.5 Ų36.526%0.26221%0.206SC..G310 helixtrans-92.1-17.8179.5-52.8-177.1000112.7F529 D915 L916 Q920 E1107 F1110F529-L918 HydrophobicContact CD2-CD2 3.68Å; F529-L918 HydrophobicContact CE2-CD2 3.9Å; D915-L918 HydrophobicContact CB-CD1 4.01Å; D915-L918 HydrophobicContact CB-CG 4.3Å; D915-L918 WeakPolarHBondContact O-CB 3.49Å; D915-L918 PolarHBondContact O-N 2.99Å; L916-L918 PolarHBondContact O-N 3.12Å; L918-Q920 PolarHBondContact O-NE2 3.06Å; L918-E1107 HydrophobicContact CD1-CB 4.22Å; L918-E1107 HydrophobicContact CD1-CG 3.74Å; L918-E1107 HydrophobicContact CD2-CB 4.17Å; L918-E1107 HydrophobicContact CD2-CG 3.72Å; L918-E1107 HydrophobicContact CG-CG 4.39Å; L918-F1110 HydrophobicContact CD2-CD2 4.07Å; L918-F1110 HydrophobicContact CD2-CE2 3.72Å
919C87.2Confident90.5Very high17 Ų1736.5 Ų36.512%0.11521%0.206CC..  trans-66.1134.7-176.1-70.80000112R573 P913 L916 K925R573-C919 PolarHBondContact NH2-O 3.28Å; P913-C919 WeakPolarHBondContact CG-SG 3.16Å; L916-C919 WeakPolarHBondContact O-CB 3.25Å; L916-C919 PolarHBondContact O-N 3.21Å; C919-K925 PolarHBondContact SG-NZ 3.28Å; C919-K925 VanDerWaalsContact SG-NZ 3.44Å
920Q88.7Confident90.5Very high52 Ų5235.4 Ų35.424%0.24320%0.199CC..SBendtrans-85-18.2171.8-60.5-50.9-48.600112.9P526 K528 R573 L918P526-Q920 PolarHBondContact O-OE1 3.33Å; P526-Q920 VanDerWaalsContact O-OE1 3.06Å; K528-Q920 VanDerWaalsContact CG-CD 3.41Å; K528-Q920 HydrophobicContact CG-CG 4.04Å; R573-Q920 VanDerWaalsContact NH1-OE1 3.07Å; L918-Q920 PolarHBondContact O-NE2 3.06Å
921D90Very high90.5Very high69 Ų6937.7 Ų37.737%0.36920%0.195SC..SBendtrans-108.325.6-178.764.7-26.1000112Y923 E924 K925D921-Y923 VanDerWaalsContact C-N 3.26Å; D921-Y923 PolarHBondContact O-N 2.78Å; D921-E924 VanDerWaalsContact C-OE2 3.3Å; D921-E924 VanDerWaalsContact CA-OE2 3.25Å; D921-E924 WeakPolarHBondContact CA-OE2 3.34Å; D921-E924 PolarHBondContact O-N 3.39Å; D921-K925 VanDerWaalsContact CG-NZ 3.27Å; D921-K925 PolarHBondContact O-N 3.36Å; D921-K925 IonicContact OD1-NZ 3.78Å; D921-K925 PolarHBondContact OD1-NZ 3.35Å; D921-K925 WeakPolarHBondContact OD2-CE 3.25Å; D921-K925 IonicContact OD2-NZ 2.65Å; D921-K925 PolarHBondContact OD2-NZ 2.91Å
922G90.4Very high90.5Very high10 Ų1041.7 Ų41.710%0.10321%0.212CC..Hα-helixtrans-62-33.7-176.200000113H926G922-H926 PolarHBondContact O-CD2 3.27Å; G922-H926 PolarHBondContact O-N 3.48Å; G922-H926 VanDerWaalsContact O-N 3.11Å
923Y93.5Very high90.7Very high28 Ų2842.6 Ų42.611%0.1122%0.216CC..Hα-helixtrans-62.1-50.6175.7159.9-97.9000111.2V512 L513 L514 V524 P565 D921 K925 H926 F927V512-Y923 HydrophobicContact CG2-CE1 3.94Å; V512-Y923 HydrophobicContact CG2-CE2 4.37Å; V512-Y923 WeakPolarHBondContact CG2-OH 3.43Å; L513-Y923 PolarHBondContact O-OH 3.03Å; L514-Y923 HydrophobicContact CD2-CE2 4.36Å; V524-Y923 HydrophobicContact CB-CD1 3.69Å; V524-Y923 HydrophobicContact CB-CE1 4.39Å; V524-Y923 HydrophobicContact CB-CG 4.16Å; V524-Y923 HydrophobicContact CG1-CD1 3.4Å; V524-Y923 HydrophobicContact CG1-CE1 3.64Å; V524-Y923 HydrophobicContact CG1-CG 3.96Å; P565-Y923 HydrophobicContact CB-CD2 3.98Å; P565-Y923 HydrophobicContact CB-CG 4.08Å; P565-Y923 HydrophobicContact CG-CD2 3.53Å; P565-Y923 HydrophobicContact CG-CE2 4.11Å; P565-Y923 HydrophobicContact CG-CG 3.98Å; D921-Y923 VanDerWaalsContact C-N 3.26Å; D921-Y923 PolarHBondContact O-N 2.78Å; Y923-K925 VanDerWaalsContact C-N 3.26Å; Y923-K925 PolarHBondContact O-N 3.39Å; Y923-H926 PolarHBondContact O-N 3.16Å; Y923-F927 HydrophobicContact CE2-CB 4.34Å; Y923-F927 HydrophobicContact CE2-CD2 4.48Å; Y923-F927 VanDerWaalsContact O-CB 3.31Å; Y923-F927 WeakPolarHBondContact O-CB 3.22Å; Y923-F927 PolarHBondContact O-N 2.57Å
924E94.3Very high90.9Very high66 Ų6644.8 Ų44.831%0.30823%0.23SC..Hα-helixtrans-61.6-37.4-177.9-6885.8164.100111.3V524 D921 F927 T928V524-E924 WeakPolarHBondContact CG2-OE1 3.4Å; D921-E924 VanDerWaalsContact C-OE2 3.3Å; D921-E924 VanDerWaalsContact CA-OE2 3.25Å; D921-E924 WeakPolarHBondContact CA-OE2 3.34Å; D921-E924 PolarHBondContact O-N 3.39Å; E924-F927 PolarHBondContact O-N 3.4Å; E924-T928 VanDerWaalsContact O-CB 3.29Å; E924-T928 WeakPolarHBondContact O-CB 3.5Å; E924-T928 PolarHBondContact O-N 3.32Å; E924-T928 PolarHBondContact O-OG1 3.07Å
925K95Very high91.4Very high41 Ų4145.9 Ų45.918%0.17823%0.232CC..Hα-helixtrans-65.5-49.2175.9-73167.8169.5153.10112.1I911 P913 L916 C919 D921 Y923 F927 T928 Y929I911-K925 HydrophobicContact CG2-CB 4.15Å; I911-K925 HydrophobicContact CG2-CG 4.48Å; I911-K925 VanDerWaalsContact CG2-O 3.32Å; I911-K925 WeakPolarHBondContact CG2-O 3.5Å; P913-K925 HydrophobicContact CG-CD 4.2Å; L916-K925 HydrophobicContact CD1-CD 4.39Å; C919-K925 PolarHBondContact SG-NZ 3.28Å; C919-K925 VanDerWaalsContact SG-NZ 3.44Å; D921-K925 VanDerWaalsContact CG-NZ 3.27Å; D921-K925 PolarHBondContact O-N 3.36Å; D921-K925 IonicContact OD1-NZ 3.78Å; D921-K925 PolarHBondContact OD1-NZ 3.35Å; D921-K925 WeakPolarHBondContact OD2-CE 3.25Å; D921-K925 IonicContact OD2-NZ 2.65Å; D921-K925 PolarHBondContact OD2-NZ 2.91Å; Y923-K925 VanDerWaalsContact C-N 3.26Å; Y923-K925 PolarHBondContact O-N 3.39Å; K925-F927 VanDerWaalsContact C-N 3.32Å; K925-F927 PolarHBondContact O-N 2.66Å; K925-T928 PolarHBondContact O-N 3.36Å; K925-Y929 PolarHBondContact O-N 3.45Å
926H94.7Very high91.8Very high1 Ų145.5 Ų45.51%0.00523%0.227CC..Hα-helixtrans-60.9-43.3175.2-79.4-62.5000111.6P515 L916 G922 Y923 Y929 H930 Y961 Y962P515-H926 HydrophobicContact CG-CB 4.32Å; L916-H926 WeakPolarHBondContact CD2-NE2 3.46Å; G922-H926 PolarHBondContact O-CD2 3.27Å; G922-H926 PolarHBondContact O-N 3.48Å; G922-H926 VanDerWaalsContact O-N 3.11Å; Y923-H926 PolarHBondContact O-N 3.16Å; H926-Y929 PolarHBondContact O-N 3.44Å; H926-H930 PolarHBondContact O-CD2 2.82Å; H926-H930 VanDerWaalsContact O-CD2 3.27Å; H926-H930 PolarHBondContact O-N 2.7Å; H926-Y961 PolarHBondContact CD2-O 3.04Å; H926-Y962 AromaticContact CD2-CD1 3.94Å; H926-Y962 PolarHBondContact CE1-O 3.48Å; H926-Y962 PolarHBondContact ND1-O 3.38Å; H926-Y962 AromaticContact NE2-CD1 3.7Å
927F95.1Very high92Very high43 Ų4347.3 Ų47.319%0.18924%0.237CC..Hα-helixtrans-62.5-45.4178.1-171.3-107.3000112L513 Y923 E924 K925 Y929 H930 Q931L513-F927 HydrophobicContact CB-CE2 4.06Å; L513-F927 HydrophobicContact CB-CZ 4.36Å; L513-F927 HydrophobicContact CD2-CE2 4.18Å; L513-F927 HydrophobicContact CD2-CZ 4.39Å; L513-F927 HydrophobicContact CG-CE2 4.39Å; L513-F927 WeakPolarHBondContact O-CD2 3.23Å; L513-F927 VanDerWaalsContact O-CE2 3.29Å; L513-F927 WeakPolarHBondContact O-CE2 3.48Å; Y923-F927 HydrophobicContact CE2-CB 4.34Å; Y923-F927 HydrophobicContact CE2-CD2 4.48Å; Y923-F927 VanDerWaalsContact O-CB 3.31Å; Y923-F927 WeakPolarHBondContact O-CB 3.22Å; Y923-F927 PolarHBondContact O-N 2.57Å; E924-F927 PolarHBondContact O-N 3.4Å; K925-F927 VanDerWaalsContact C-N 3.32Å; K925-F927 PolarHBondContact O-N 2.66Å; F927-Y929 VanDerWaalsContact C-N 3.33Å; F927-Y929 PolarHBondContact O-N 2.8Å; F927-H930 PolarHBondContact O-N 3.13Å; F927-Q931 HydrophobicContact CD1-CG 4.33Å; F927-Q931 HydrophobicContact CE1-CG 4.17Å; F927-Q931 HydrophobicContact CZ-CG 4.43Å; F927-Q931 WeakPolarHBondContact O-CG 3.44Å; F927-Q931 PolarHBondContact O-N 3.44Å
928T96Very high92.5Very high59 Ų5946.8 Ų46.836%0.36223%0.233SC..Hα-helixtrans-61.1-41.3177.2-57.80000111.8I911 E924 K925 Q931 K932I911-T928 HydrophobicContact CD1-CG2 4.24Å; E924-T928 VanDerWaalsContact O-CB 3.29Å; E924-T928 WeakPolarHBondContact O-CB 3.5Å; E924-T928 PolarHBondContact O-N 3.32Å; E924-T928 PolarHBondContact O-OG1 3.07Å; K925-T928 PolarHBondContact O-N 3.36Å; T928-Q931 PolarHBondContact O-N 3.12Å; T928-K932 PolarHBondContact O-N 2.81Å
929Y96.6Very high92.7Very high0 Ų046.5 Ų46.50%024%0.235CC..Hα-helixtrans-61-49.8174.8173.3-89.2000111.5A904 C908 M912 K925 H926 F927 Q931 K932 H933 N964 C966A904-Y929 WeakPolarHBondContact O-CE2 3.36Å; C908-Y929 HydrophobicContact CB-CD2 4.23Å; C908-Y929 HydrophobicContact CB-CE2 3.68Å; M912-Y929 HydrophobicContact CE-CD2 4.12Å; M912-Y929 HydrophobicContact CE-CE2 4.4Å; M912-Y929 HydrophobicContact CE-CG 4.29Å; K925-Y929 PolarHBondContact O-N 3.45Å; H926-Y929 PolarHBondContact O-N 3.44Å; F927-Y929 VanDerWaalsContact C-N 3.33Å; F927-Y929 PolarHBondContact O-N 2.8Å; Y929-Q931 VanDerWaalsContact C-N 3.3Å; Y929-Q931 PolarHBondContact O-N 3.15Å; Y929-K932 PolarHBondContact O-N 3.06Å; Y929-K932 VanDerWaalsContact O-N 3.11Å; Y929-H933 HydrophobicContact CE1-CB 4.1Å; Y929-H933 HydrophobicContact CE2-CB 4.45Å; Y929-H933 AromaticContact CE2-CD2 3.92Å; Y929-H933 PolarHBondContact O-N 2.91Å; Y929-N964 HydrophobicContact CD1-CB 4.01Å; Y929-N964 HydrophobicContact CE1-CB 3.45Å; Y929-N964 VanDerWaalsContact CE1-CB 3.45Å; Y929-C966 PolarHBondContact OH-SG 3.35Å; Y929-C966 VanDerWaalsContact OH-SG 3.36Å
930H95.7Very high92.8Very high13 Ų1347.6 Ų47.66%0.0624%0.238CC..Hα-helixtrans-67.6-28-178.4-86.4-85000113.4P515 H926 F927 K932 H933 P934 S963P515-H930 HydrophobicContact CB-CB 3.82Å; P515-H930 VanDerWaalsContact CB-CD2 3.46Å; P515-H930 WeakPolarHBondContact CB-CD2 3.34Å; H926-H930 PolarHBondContact O-CD2 2.82Å; H926-H930 VanDerWaalsContact O-CD2 3.27Å; H926-H930 PolarHBondContact O-N 2.7Å; F927-H930 PolarHBondContact O-N 3.13Å; H930-K932 VanDerWaalsContact C-N 3.33Å; H930-H933 CarbonylContact O-C 3.57Å; H930-P934 VanDerWaalsContact O-CA 3.28Å; H930-P934 WeakPolarHBondContact O-CA 3.47Å; H930-P934 VanDerWaalsContact O-N 3.12Å; H930-S963 PolarHBondContact CE1-O 3.09Å; H930-S963 VanDerWaalsContact CE1-O 3.29Å; H930-S963 PolarHBondContact NE2-O 2.97Å
931Q94.5Very high93Very high130 Ų13045.2 Ų45.261%0.60723%0.227SC*.Hα-helixtrans-63.6-38.3170.5-77.7-171.6-13.500112.5F927 T928 Y929F927-Q931 HydrophobicContact CD1-CG 4.33Å; F927-Q931 HydrophobicContact CE1-CG 4.17Å; F927-Q931 HydrophobicContact CZ-CG 4.43Å; F927-Q931 WeakPolarHBondContact O-CG 3.44Å; F927-Q931 PolarHBondContact O-N 3.44Å; T928-Q931 PolarHBondContact O-N 3.12Å; Y929-Q931 VanDerWaalsContact C-N 3.3Å; Y929-Q931 PolarHBondContact O-N 3.15Å
932K96Very high93.1Very high115 Ų11544.2 Ų44.250%0.522%0.219SC..Hα-helixtrans-77.4-38176.1-70.8-174.2173.8-176.30112.4D907 I911 T928 Y929 H930 P934D907-K932 HydrophobicContact CB-CD 4.48Å; D907-K932 IonicContact OD1-NZ 2.77Å; D907-K932 PolarHBondContact OD1-NZ 2.91Å; I911-K932 HydrophobicContact CD1-CD 4.09Å; T928-K932 PolarHBondContact O-N 2.81Å; Y929-K932 PolarHBondContact O-N 3.06Å; Y929-K932 VanDerWaalsContact O-N 3.11Å; H930-K932 VanDerWaalsContact C-N 3.33Å; K932-P934 VanDerWaalsContact C-CD 3.45Å; K932-P934 WeakPolarHBondContact O-CD 2.91Å
933H95.4Very high93Very high21 Ų2144.8 Ų44.810%0.09722%0.221CC..SBendtrans-124.868.6-173.6-63.5-69.9000111.1A904 D907 Y929 H930A904-H933 VanDerWaalsContact CA-CE1 3.48Å; A904-H933 WeakPolarHBondContact CA-CE1 3.13Å; A904-H933 PolarHBondContact N-CE1 2.94Å; D907-H933 IonicContact OD2-CD2 2.84Å; D907-H933 IonicContact OD2-CE1 2.67Å; D907-H933 IonicContact OD2-NE2 3.04Å; D907-H933 PolarHBondContact OD2-NE2 2.96Å; Y929-H933 HydrophobicContact CE1-CB 4.1Å; Y929-H933 HydrophobicContact CE2-CB 4.45Å; Y929-H933 AromaticContact CE2-CD2 3.92Å; Y929-H933 PolarHBondContact O-N 2.91Å; H930-H933 CarbonylContact O-C 3.57Å
934P91.9Very high92.8Very high73 Ų7348.3 Ų48.347%0.47424%0.239SC..  trans-67.2137.3-177.327.1-34.7000111.5H930 K932H930-P934 VanDerWaalsContact O-CA 3.28Å; H930-P934 WeakPolarHBondContact O-CA 3.47Å; H930-P934 VanDerWaalsContact O-N 3.12Å; K932-P934 VanDerWaalsContact C-CD 3.45Å; K932-P934 WeakPolarHBondContact O-CD 2.91Å
935E91.3Very high92.7Very high56 Ų5647.8 Ų47.826%0.26224%0.237SC..  trans-105.2114.3176.2-64.6-175.2-163.500110.3N964 R965 R968E935-N964 VanDerWaalsContact OE1-CA 3.31Å; E935-N964 WeakPolarHBondContact OE1-CA 3.31Å; E935-R965 PolarHBondContact OE1-N 3.22Å; E935-R968 IonicContact OE1-CZ 3.9Å; E935-R968 IonicContact OE1-NH1 2.78Å; E935-R968 IonicContact OE1-NH2 2.63Å; E935-R968 PolarHBondContact OE1-NH2 2.77Å; E935-R968 IonicContact OE2-CZ 3.78Å; E935-R968 IonicContact OE2-NH1 3.72Å; E935-R968 PolarHBondContact OE2-NH1 3.23Å; E935-R968 IonicContact OE2-NH2 3Å; E935-R968 PolarHBondContact OE2-NH2 2.97Å
936K89.3Confident92.4Very high74 Ų7448.7 Ų48.732%0.32224%0.243SC..  trans-99.8144.4-173.1-58.8173.8-175173.10111.4Q940 V941 E944K936-Q940 HydrophobicContact CB-CB 4.39Å; K936-V941 HydrophobicContact CB-CG2 3.79Å; K936-V941 HydrophobicContact CD-CG2 4.3Å; K936-E944 WeakPolarHBondContact CD-OE2 3.14Å; K936-E944 WeakPolarHBondContact CE-OE2 3.21Å; K936-E944 IonicContact NZ-OE1 3.31Å; K936-E944 PolarHBondContact NZ-OE1 3.31Å; K936-E944 IonicContact NZ-OE2 2.67Å; K936-E944 PolarHBondContact NZ-OE2 2.85Å
937N89.3Confident91.7Very high49 Ų4959.7 Ų59.726%0.26229%0.285SS..  trans-94.3168.3167.171.147.6000111.2V645 S939 Q940 V941V645-N937 HydrophobicContact CG2-CB 4.04Å; N937-S939 VanDerWaalsContact C-N 3.32Å; N937-S939 PolarHBondContact O-N 3.41Å; N937-S939 PolarHBondContact OD1-N 3.25Å; N937-S939 PolarHBondContact OD1-OG 3.35Å; N937-Q940 PolarHBondContact ND2-OE1 3.34Å; N937-Q940 WeakPolarHBondContact O-CB 3.46Å; N937-Q940 PolarHBondContact O-N 2.83Å; N937-Q940 VanDerWaalsContact O-N 3.09Å; N937-Q940 WeakPolarHBondContact OD1-CG 3.49Å; N937-Q940 PolarHBondContact OD1-N 3.35Å; N937-V941 WeakPolarHBondContact O-CG2 3.4Å; N937-V941 PolarHBondContact O-N 2.97Å
938W93Very high90.5Very high16 Ų1661.2 Ų61.26%0.06130%0.298CS..Hα-helixtrans-57.8-39.4-176.1-59.1-39.8000113.7A644 M817 L820 E821 V828 S863 V864 Q940 V941 Y942A644-W938 HydrophobicContact CB-CE3 4.14Å; A644-W938 HydrophobicContact CB-CH2 3.9Å; A644-W938 HydrophobicContact CB-CZ2 4.42Å; A644-W938 HydrophobicContact CB-CZ3 3.74Å; M817-W938 HydrophobicContact CB-CB 4.31Å; M817-W938 HydrophobicContact SD-CB 4.37Å; L820-W938 VanDerWaalsContact C-CZ3 3.45Å; L820-W938 HydrophobicContact CB-CD2 3.68Å; L820-W938 HydrophobicContact CB-CE3 3.97Å; L820-W938 HydrophobicContact CB-CG 4.12Å; L820-W938 HydrophobicContact CB-CH2 4.21Å; L820-W938 HydrophobicContact CB-CZ2 3.97Å; L820-W938 HydrophobicContact CB-CZ3 4.22Å; L820-W938 HydrophobicContact CD1-CG 4.47Å; L820-W938 WeakPolarHBondContact O-CZ3 3.4Å; E821-W938 HydrophobicContact CB-CE3 4.11Å; V828-W938 HydrophobicContact CB-CH2 4.45Å; V828-W938 HydrophobicContact CG1-CZ2 4.35Å; V828-W938 HydrophobicContact CG2-CH2 3.86Å; V828-W938 HydrophobicContact CG2-CZ2 4.17Å; S863-W938 PolarHBondContact O-NE1 3.27Å; V864-W938 PolarHBondContact O-NE1 3.16Å; W938-Q940 VanDerWaalsContact C-N 3.33Å; W938-Q940 PolarHBondContact O-N 2.96Å; W938-V941 PolarHBondContact O-N 2.97Å; W938-Y942 WeakPolarHBondContact O-CB 3.45Å; W938-Y942 PolarHBondContact O-N 3.2Å
939S88.9Confident88.7Confident43 Ų4362.4 Ų62.430%0.30131%0.314SS..Hα-helixtrans-65.8-35177.875.80000112.8N937 S943N937-S939 VanDerWaalsContact C-N 3.32Å; N937-S939 PolarHBondContact O-N 3.41Å; N937-S939 PolarHBondContact OD1-N 3.25Å; N937-S939 PolarHBondContact OD1-OG 3.35Å; S939-S943 PolarHBondContact O-N 2.94Å; S939-S943 VanDerWaalsContact O-N 3.09Å; S939-S943 PolarHBondContact O-OG 2.86Å
940Q89.3Confident86.7Confident41 Ų4167.6 Ų67.619%0.19234%0.338CS..Hα-helixtrans-70.6-44.2176.8-66.1170.9-40.700110.6K936 N937 W938 Y942 S943 E944K936-Q940 HydrophobicContact CB-CB 4.39Å; N937-Q940 PolarHBondContact ND2-OE1 3.34Å; N937-Q940 WeakPolarHBondContact O-CB 3.46Å; N937-Q940 PolarHBondContact O-N 2.83Å; N937-Q940 VanDerWaalsContact O-N 3.09Å; N937-Q940 WeakPolarHBondContact OD1-CG 3.49Å; N937-Q940 PolarHBondContact OD1-N 3.35Å; W938-Q940 VanDerWaalsContact C-N 3.33Å; W938-Q940 PolarHBondContact O-N 2.96Å; Q940-Y942 VanDerWaalsContact C-N 3.34Å; Q940-Y942 PolarHBondContact O-N 3.43Å; Q940-S943 PolarHBondContact O-N 3.38Å; Q940-E944 PolarHBondContact O-N 3.08Å
941V92.3Very high84.5Confident2 Ų273.2 Ų73.21%0.01237%0.373CS..Hα-helixtrans-61.4-42.6174.5177.20000111M817 K936 N937 W938 S943 E944 M945M817-V941 HydrophobicContact CG-CB 4.19Å; M817-V941 HydrophobicContact CG-CG1 3.92Å; M817-V941 HydrophobicContact SD-CB 4.02Å; M817-V941 HydrophobicContact SD-CG1 3.74Å; K936-V941 HydrophobicContact CB-CG2 3.79Å; K936-V941 HydrophobicContact CD-CG2 4.3Å; N937-V941 WeakPolarHBondContact O-CG2 3.4Å; N937-V941 PolarHBondContact O-N 2.97Å; W938-V941 PolarHBondContact O-N 2.97Å; V941-S943 VanDerWaalsContact C-N 3.32Å; V941-S943 PolarHBondContact O-N 3.27Å; V941-E944 PolarHBondContact O-N 3.49Å; V941-M945 HydrophobicContact CG1-CE 3.46Å; V941-M945 VanDerWaalsContact CG1-CE 3.46Å; V941-M945 HydrophobicContact CG1-CG 4.29Å; V941-M945 HydrophobicContact CG1-SD 3.97Å; V941-M945 WeakPolarHBondContact O-CB 3.2Å; V941-M945 VanDerWaalsContact O-CG 3.28Å; V941-M945 WeakPolarHBondContact O-CG 3.43Å; V941-M945 PolarHBondContact O-N 2.9Å
942Y92.2Very high82.5Confident48 Ų4870.4 Ų70.419%0.18836%0.364CS..Hα-helixtrans-57.1-44.9175.4-179.4-100.8000112.2S814 M817 K818 W938 Q940 N946S814-Y942 WeakPolarHBondContact O-CD2 3.29Å; M817-Y942 HydrophobicContact CB-CD2 4.36Å; K818-Y942 HydrophobicContact CD-CD2 4.43Å; K818-Y942 HydrophobicContact CD-CE2 3.83Å; K818-Y942 WeakPolarHBondContact CE-OH 3.26Å; K818-Y942 HydrophobicContact CG-CD2 4.08Å; K818-Y942 HydrophobicContact CG-CE2 3.98Å; K818-Y942 PolarHBondContact NZ-OH 3.04Å; W938-Y942 WeakPolarHBondContact O-CB 3.45Å; W938-Y942 PolarHBondContact O-N 3.2Å; Q940-Y942 VanDerWaalsContact C-N 3.34Å; Q940-Y942 PolarHBondContact O-N 3.43Å; Y942-N946 WeakPolarHBondContact CD2-ND2 3.39Å; Y942-N946 WeakPolarHBondContact CE1-ND2 3.12Å; Y942-N946 WeakPolarHBondContact CE2-ND2 3.46Å; Y942-N946 PolarHBondContact O-N 3.18Å; Y942-N946 PolarHBondContact O-ND2 3.25Å
943S88.9Confident80.3Confident22 Ų2268.2 Ų68.215%0.15436%0.361CS..Hα-helixtrans-65.7-42-179.2-57.50000111.5S939 Q940 V941 N946 R947 T948S939-S943 PolarHBondContact O-N 2.94Å; S939-S943 VanDerWaalsContact O-N 3.09Å; S939-S943 PolarHBondContact O-OG 2.86Å; Q940-S943 PolarHBondContact O-N 3.38Å; V941-S943 VanDerWaalsContact C-N 3.32Å; V941-S943 PolarHBondContact O-N 3.27Å; S943-N946 PolarHBondContact O-N 3.23Å; S943-R947 PolarHBondContact O-N 3.36Å; S943-R947 VanDerWaalsContact O-N 3.08Å; S943-T948 WeakPolarHBondContact CA-OG1 3.37Å; S943-T948 PolarHBondContact O-N 3.16Å; S943-T948 VanDerWaalsContact O-N 3.13Å; S943-T948 PolarHBondContact O-OG1 3.44Å
944E88.5Confident78.1Confident102 Ų10272.1 Ų72.148%0.47739%0.388SS..Hα-helixtrans-64.9-45.1177.8-175.6177.5-174.500112.1K936 Q940 V941 N946 R947K936-E944 WeakPolarHBondContact CD-OE2 3.14Å; K936-E944 WeakPolarHBondContact CE-OE2 3.21Å; K936-E944 IonicContact NZ-OE1 3.31Å; K936-E944 PolarHBondContact NZ-OE1 3.31Å; K936-E944 IonicContact NZ-OE2 2.67Å; K936-E944 PolarHBondContact NZ-OE2 2.85Å; Q940-E944 PolarHBondContact O-N 3.08Å; V941-E944 PolarHBondContact O-N 3.49Å; E944-N946 VanDerWaalsContact C-N 3.29Å; E944-N946 PolarHBondContact O-N 3.19Å; E944-R947 PolarHBondContact O-N 3.34Å; E944-R947 VanDerWaalsContact O-N 3.17Å
945M92.2Very high76Confident55 Ų5573.8 Ų73.827%0.27139%0.393SS..Hα-helixtrans-59.7-38.9177.2-73.7173.2171.800112.6M817 Y862 V941 R947M817-M945 HydrophobicContact CG-CE 4.5Å; M817-M945 HydrophobicContact CG-SD 4.19Å; Y862-M945 HydrophobicContact CD1-CE 3.13Å; Y862-M945 HydrophobicContact CE1-CE 3.61Å; Y862-M945 HydrophobicContact CG-CE 4.05Å; V941-M945 HydrophobicContact CG1-CE 3.46Å; V941-M945 VanDerWaalsContact CG1-CE 3.46Å; V941-M945 HydrophobicContact CG1-CG 4.29Å; V941-M945 HydrophobicContact CG1-SD 3.97Å; V941-M945 WeakPolarHBondContact O-CB 3.2Å; V941-M945 VanDerWaalsContact O-CG 3.28Å; V941-M945 WeakPolarHBondContact O-CG 3.43Å; V941-M945 PolarHBondContact O-N 2.9Å; M945-R947 VanDerWaalsContact C-N 3.35Å
946N88.5Confident74.7Confident59 Ų5976.9 Ų76.932%0.31641%0.411SS..THydrogen-bonded Turntrans-900.9-179-64.9-50.6000113.5S814 Y942 S943 E944 T948S814-N946 WeakPolarHBondContact CB-ND2 3.45Å; S814-N946 WeakPolarHBondContact CB-OD1 3.03Å; S814-N946 PolarHBondContact OG-ND2 3.39Å; S814-N946 PolarHBondContact OG-OD1 2.98Å; Y942-N946 WeakPolarHBondContact CD2-ND2 3.39Å; Y942-N946 WeakPolarHBondContact CE1-ND2 3.12Å; Y942-N946 WeakPolarHBondContact CE2-ND2 3.46Å; Y942-N946 PolarHBondContact O-N 3.18Å; Y942-N946 PolarHBondContact O-ND2 3.25Å; S943-N946 PolarHBondContact O-N 3.23Å; E944-N946 VanDerWaalsContact C-N 3.29Å; E944-N946 PolarHBondContact O-N 3.19Å; N946-T948 HydrophobicContact CB-CG2 4.05Å; N946-T948 PolarHBondContact O-N 3.2Å
947R81.1Confident74.3Confident233 Ų23374.4 Ų74.488%0.87940%0.402SS*.THydrogen-bonded Turntrans50.428-174.1-63.2-179.4-75-152.6-5.3113.1S943 E944 M945S943-R947 PolarHBondContact O-N 3.36Å; S943-R947 VanDerWaalsContact O-N 3.08Å; E944-R947 PolarHBondContact O-N 3.34Å; E944-R947 VanDerWaalsContact O-N 3.17Å; M945-R947 VanDerWaalsContact C-N 3.35Å
948T68.7Low74.3Confident74 Ų7472.8 Ų72.845%0.45439%0.393SS..  trans-80.4133.7173.1500000108S943 N946 H950S943-T948 WeakPolarHBondContact CA-OG1 3.37Å; S943-T948 PolarHBondContact O-N 3.16Å; S943-T948 VanDerWaalsContact O-N 3.13Å; S943-T948 PolarHBondContact O-OG1 3.44Å; N946-T948 HydrophobicContact CB-CG2 4.05Å; N946-T948 PolarHBondContact O-N 3.2Å; T948-H950 PolarHBondContact O-N 2.97Å
949A59.5Low74.3Confident85 Ų8572 Ų7270%0.70239%0.39SS*.  trans-51.2140.9172.800000109.8V951A949-V951 VanDerWaalsContact C-N 3.35Å; A949-V951 PolarHBondContact O-N 3.31Å
950H54.1Low74.5Confident109 Ų10970.9 Ų70.951%0.50538%0.382SS..  trans-56.397.6174.8-96.7-63.4000109.5T948 T952T948-H950 PolarHBondContact O-N 2.97Å; H950-T952 HydrophobicContact CB-CG2 4.23Å; H950-T952 PolarHBondContact O-N 2.93Å
951V48.9Very low74.8Confident131 Ų13169.3 Ų69.379%0.79437%0.374SS*.  trans-8261.9160.8-170.40000106.3A949 T953A949-V951 VanDerWaalsContact C-N 3.35Å; A949-V951 PolarHBondContact O-N 3.31Å; V951-T953 PolarHBondContact O-N 2.89Å
952T52.5Low74.9Confident70 Ų7069.7 Ų69.743%0.42938%0.375SS..  trans-78.6103.2167.146.90000106.3H950 P954H950-T952 HydrophobicContact CB-CG2 4.23Å; H950-T952 PolarHBondContact O-N 2.93Å; T952-P954 WeakPolarHBondContact O-CD 3.44Å
953T49.8Very low75Confident70 Ų7067.6 Ų67.643%0.42937%0.368SS..  trans-58.9122.7158.2480000106.6V951 D955 N956V951-T953 PolarHBondContact O-N 2.89Å; T953-D955 PolarHBondContact O-N 3.35Å; T953-N956 PolarHBondContact O-N 2.9Å
954P49.4Very low75.4Confident102 Ų10266.5 Ų66.566%0.66236%0.36SS*.G310 helixtrans-55-23.7-176.516.4-28.3000113T952 N956 V957T952-P954 WeakPolarHBondContact O-CD 3.44Å; P954-N956 PolarHBondContact O-N 2.97Å; P954-N956 VanDerWaalsContact O-N 3.15Å; P954-V957 PolarHBondContact O-N 2.97Å
955D49.3Very low75.6Confident108 Ų10863 Ų6358%0.57834%0.342SS*.G310 helixtrans-60.2-18.9175.9-69.3-30.3000114.9T953T953-D955 PolarHBondContact O-N 3.35Å
956N62.1Low75.9Confident121 Ų12160.3 Ų60.365%0.64733%0.329SS*.G310 helixtrans-102.60.6-176.5-75.6-8.2000114.7T953 P954T953-N956 PolarHBondContact O-N 2.9Å; P954-N956 PolarHBondContact O-N 2.97Å; P954-N956 VanDerWaalsContact O-N 3.15Å
957V82.3Confident76.2Confident22 Ų2258.1 Ų58.113%0.13332%0.318CS..  trans-91.7114.9-177-169.20000110.6G516 A518 P954G516-V957 WeakPolarHBondContact O-CG1 3.26Å; A518-V957 HydrophobicContact CB-CB 4.35Å; A518-V957 HydrophobicContact CB-CG1 3.96Å; P954-V957 PolarHBondContact O-N 2.97Å
958I89.3Confident77Confident15 Ų1548.4 Ų48.48%0.07728%0.281CS..  trans-71.9128.3178.4-58.7-57.8000109.8L602 N603 H606 V645 V646 V960L602-I958 HydrophobicContact CB-CD1 3.98Å; L602-I958 HydrophobicContact CD2-CD1 4.26Å; N603-I958 WeakPolarHBondContact OD1-CD1 3.32Å; H606-I958 HydrophobicContact CB-CG2 3.62Å; H606-I958 VanDerWaalsContact CD2-CG2 3.46Å; H606-I958 WeakPolarHBondContact CD2-CG2 3.49Å; V645-I958 HydrophobicContact CG1-CB 4.48Å; V645-I958 HydrophobicContact CG1-CG2 4.35Å; V646-I958 HydrophobicContact CG2-CD1 3.71Å; V646-I958 HydrophobicContact CG2-CG1 4.07Å; V646-I958 HydrophobicContact CG2-CG2 4.38Å; I958-V960 PolarHBondContact O-N 3.08Å
959P91.9Very high78.3Confident0 Ų044.9 Ų44.90%026%0.259CS..  trans-76.5119.5-17930.9-34.8000111.1L514 A518 C562 N603 H606 I607 Y961L514-P959 HydrophobicContact CD1-CB 3.64Å; A518-P959 HydrophobicContact CB-CB 4.1Å; C562-P959 HydrophobicContact CB-CB 4.4Å; N603-P959 HydrophobicContact CB-CG 3.96Å; N603-P959 WeakPolarHBondContact OD1-CD 3.29Å; H606-P959 PolarHBondContact CE1-O 3.15Å; H606-P959 PolarHBondContact ND1-O 3.41Å; I607-P959 HydrophobicContact CD1-CG 3.91Å; I607-P959 HydrophobicContact CG1-CG 3.96Å; P959-Y961 HydrophobicContact CB-CE2 3.85Å; P959-Y961 HydrophobicContact CG-CE2 4.49Å
960V94.1Very high80.1Confident19 Ų1940.9 Ų40.912%0.11523%0.226CC..  trans-107.2125.7177.2-178.10000109.7P515 E610 I958P515-V960 HydrophobicContact CB-CB 4.45Å; P515-V960 HydrophobicContact CB-CG1 4.39Å; P515-V960 VanDerWaalsContact CD-O 3.23Å; P515-V960 WeakPolarHBondContact CD-O 3.29Å; E610-V960 VanDerWaalsContact OE1-CA 3.24Å; E610-V960 WeakPolarHBondContact OE1-CA 3.46Å; I958-V960 PolarHBondContact O-N 3.08Å
961Y94.9Very high82.1Confident8 Ų835.7 Ų35.73%0.03120%0.202CC..SBendtrans-110.7-40.2179.5-67.2-97.3000113.5L514 P563 P565 V568 I607 E610 H926 P959L514-Y961 HydrophobicContact CD1-CE1 3.89Å; L514-Y961 HydrophobicContact CD1-CE2 3.87Å; L514-Y961 HydrophobicContact CD2-CD1 4.05Å; L514-Y961 HydrophobicContact CD2-CE1 3.75Å; P563-Y961 PolarHBondContact O-OH 2.92Å; P565-Y961 HydrophobicContact CG-CE1 4.43Å; V568-Y961 HydrophobicContact CB-CD1 4.35Å; V568-Y961 HydrophobicContact CB-CE1 4.32Å; V568-Y961 HydrophobicContact CG2-CD1 4.11Å; V568-Y961 HydrophobicContact CG2-CE1 3.62Å; V568-Y961 HydrophobicContact CG2-CE2 4.37Å; I607-Y961 HydrophobicContact CD1-CE2 3.96Å; I607-Y961 HydrophobicContact CG1-CD2 4.27Å; I607-Y961 HydrophobicContact CG1-CE2 3.71Å; E610-Y961 PolarHBondContact OE1-N 3.16Å; E610-Y961 PolarHBondContact OE2-N 3.1Å; E610-Y961 VanDerWaalsContact OE2-N 3.16Å; H926-Y961 PolarHBondContact CD2-O 3.04Å; P959-Y961 HydrophobicContact CB-CE2 3.85Å; P959-Y961 HydrophobicContact CG-CE2 4.49Å
962Y95Very high84.5Confident11 Ų1129.5 Ų29.54%0.04317%0.165CC..SBendtrans-131.1-36.6-167.9-47.3-52.1000112.8V568 E569 E610 Y614 R615 H926 N964V568-Y962 HydrophobicContact CG1-CE2 4.19Å; V568-Y962 WeakPolarHBondContact CG1-OH 3.23Å; E569-Y962 WeakPolarHBondContact OE2-CE1 3.13Å; E569-Y962 PolarHBondContact OE2-OH 3.09Å; E610-Y962 HydrophobicContact CB-CD2 4.02Å; E610-Y962 WeakPolarHBondContact OE2-CA 3.3Å; E610-Y962 PolarHBondContact OE2-N 3.09Å; Y614-Y962 HydrophobicContact CD2-CD2 4.36Å; R615-Y962 HydrophobicContact CG-CD2 4.2Å; R615-Y962 HydrophobicContact CG-CE2 3.7Å; H926-Y962 AromaticContact CD2-CD1 3.94Å; H926-Y962 PolarHBondContact CE1-O 3.48Å; H926-Y962 PolarHBondContact ND1-O 3.38Å; H926-Y962 AromaticContact NE2-CD1 3.7Å; Y962-N964 PolarHBondContact O-ND2 3.1Å
963S95Very high86.6Confident3 Ų326.2 Ų26.22%0.02114%0.144CC..  trans-58.2137.7-171.8-166.50000112E610 Y614 H930 R968E610-S963 PolarHBondContact OE2-N 3.32Å; Y614-S963 PolarHBondContact OH-OG 2.83Å; H930-S963 PolarHBondContact CE1-O 3.09Å; H930-S963 VanDerWaalsContact CE1-O 3.29Å; H930-S963 PolarHBondContact NE2-O 2.97Å; S963-R968 WeakPolarHBondContact OG-CD 3.32Å; S963-R968 PolarHBondContact OG-NH1 2.94Å; S963-R968 VanDerWaalsContact OG-NH1 3.12Å
964N95.5Very high88.9Confident0 Ų022.9 Ų22.90%012%0.124CC..  trans-155.1164.6166.56072.7000109.9M912 Y929 E935 Y962 C966 L967 R968M912-N964 WeakPolarHBondContact CE-ND2 3.48Å; Y929-N964 HydrophobicContact CD1-CB 4.01Å; Y929-N964 HydrophobicContact CE1-CB 3.45Å; Y929-N964 VanDerWaalsContact CE1-CB 3.45Å; E935-N964 VanDerWaalsContact OE1-CA 3.31Å; E935-N964 WeakPolarHBondContact OE1-CA 3.31Å; Y962-N964 PolarHBondContact O-ND2 3.1Å; N964-C966 VanDerWaalsContact C-N 3.3Å; N964-C966 PolarHBondContact O-N 2.86Å; N964-C966 WeakPolarHBondContact OD1-CB 3.33Å; N964-C966 PolarHBondContact OD1-N 2.97Å; N964-C966 VanDerWaalsContact OD1-N 3.14Å; N964-L967 VanDerWaalsContact ND2-CD1 3.32Å; N964-L967 WeakPolarHBondContact ND2-CD1 3.46Å; N964-L967 WeakPolarHBondContact ND2-CG 3.32Å; N964-L967 PolarHBondContact O-N 3.12Å; N964-L967 VanDerWaalsContact O-N 3.12Å; N964-L967 WeakPolarHBondContact OD1-CG 3.36Å; N964-L967 PolarHBondContact OD1-N 2.65Å; N964-R968 WeakPolarHBondContact O-CG 3.32Å; N964-R968 PolarHBondContact O-N 2.72Å
965R94.6Very high91.2Very high27 Ų2718.1 Ų18.110%0.1029%0.093CC..Hα-helixtrans-50.3-46.5-180-172.1-179.6-60.4128.23.5113.2E935 L967 R968 I969E935-R965 PolarHBondContact OE1-N 3.22Å; R965-L967 VanDerWaalsContact C-N 3.33Å; R965-L967 PolarHBondContact O-N 2.95Å; R965-R968 PolarHBondContact O-N 3.44Å; R965-I969 PolarHBondContact O-N 3.04Å
966C97.1Very high93.4Very high0 Ų013 Ų130%07%0.065CC..Hα-helixtrans-65.8-34.4-177.7-64.80000112.6C908 Y929 N964 I969 L1001C908-C966 HydrophobicContact CB-CB 3.89Å; C908-C966 WeakPolarHBondContact SG-CB 3.41Å; Y929-C966 PolarHBondContact OH-SG 3.35Å; Y929-C966 VanDerWaalsContact OH-SG 3.36Å; N964-C966 VanDerWaalsContact C-N 3.3Å; N964-C966 PolarHBondContact O-N 2.86Å; N964-C966 WeakPolarHBondContact OD1-CB 3.33Å; N964-C966 PolarHBondContact OD1-N 2.97Å; N964-C966 VanDerWaalsContact OD1-N 3.14Å; C966-I969 WeakPolarHBondContact O-CG2 3.46Å; C966-L1001 HydrophobicContact CB-CD1 4.34Å; C966-L1001 HydrophobicContact CB-CD2 3.8Å
967L95.9Very high95.1Very high13 Ų137.4 Ų7.47%0.0684%0.035CC..Hα-helixtrans-75.5-42.5173.3-63-178.7000111.5Y614 R656 N964 R965 I969 L970 F1004Y614-L967 HydrophobicContact CD1-CB 4.28Å; Y614-L967 HydrophobicContact CD1-CD1 4.05Å; Y614-L967 HydrophobicContact CE1-CB 3.7Å; Y614-L967 HydrophobicContact CE1-CD1 4.16Å; R656-L967 PolarHBondContact NH2-O 2.72Å; N964-L967 VanDerWaalsContact ND2-CD1 3.32Å; N964-L967 WeakPolarHBondContact ND2-CD1 3.46Å; N964-L967 WeakPolarHBondContact ND2-CG 3.32Å; N964-L967 PolarHBondContact O-N 3.12Å; N964-L967 VanDerWaalsContact O-N 3.12Å; N964-L967 WeakPolarHBondContact OD1-CG 3.36Å; N964-L967 PolarHBondContact OD1-N 2.65Å; R965-L967 VanDerWaalsContact C-N 3.33Å; R965-L967 PolarHBondContact O-N 2.95Å; L967-I969 VanDerWaalsContact C-N 3.31Å; L967-I969 PolarHBondContact O-N 3.29Å; L967-L970 HydrophobicContact CD2-CD1 4.49Å; L967-L970 PolarHBondContact O-N 3.45Å; L967-F1004 HydrophobicContact CD2-CB 3.67Å; L967-F1004 HydrophobicContact CD2-CD1 4.36Å; L967-F1004 HydrophobicContact CD2-CD2 4.31Å; L967-F1004 HydrophobicContact CD2-CG 3.87Å
968R96.2Very high95.8Very high29 Ų296.6 Ų6.611%0.1093%0.03CC..Hα-helixtrans-65.4-30-177.3-73.4-167.8-52.9-95.4-1.2113.8Y614 N652 E868 E935 S963 N964 R965Y614-R968 VanDerWaalsContact OH-CG 3.24Å; Y614-R968 WeakPolarHBondContact OH-CG 3.32Å; N652-R968 PolarHBondContact ND2-O 2.95Å; E868-R968 IonicContact OE1-CZ 2.8Å; E868-R968 VanDerWaalsContact OE1-CZ 3.28Å; E868-R968 IonicContact OE1-NE 3.87Å; E868-R968 PolarHBondContact OE1-NE 2.9Å; E868-R968 IonicContact OE1-NH2 3.07Å; E868-R968 PolarHBondContact OE1-NH2 3.44Å; E935-R968 IonicContact OE1-CZ 3.9Å; E935-R968 IonicContact OE1-NH1 2.78Å; E935-R968 IonicContact OE1-NH2 2.63Å; E935-R968 PolarHBondContact OE1-NH2 2.77Å; E935-R968 IonicContact OE2-CZ 3.78Å; E935-R968 IonicContact OE2-NH1 3.72Å; E935-R968 PolarHBondContact OE2-NH1 3.23Å; E935-R968 IonicContact OE2-NH2 3Å; E935-R968 PolarHBondContact OE2-NH2 2.97Å; S963-R968 WeakPolarHBondContact OG-CD 3.32Å; S963-R968 PolarHBondContact OG-NH1 2.94Å; S963-R968 VanDerWaalsContact OG-NH1 3.12Å; N964-R968 WeakPolarHBondContact O-CG 3.32Å; N964-R968 PolarHBondContact O-N 2.72Å; R965-R968 PolarHBondContact O-N 3.44Å
969I96.9Very high96.1Very high0 Ų06.2 Ų6.20%03%0.028CC..THydrogen-bonded Turntrans-75.8-18.6-178.4-157.9173.3000113.7L867 E868 I871 F901 R965 C966 L967 I972 L973 L1001L867-I969 HydrophobicContact CD2-CD1 4.35Å; E868-I969 HydrophobicContact CB-CB 4.32Å; E868-I969 HydrophobicContact CB-CG1 4.22Å; I871-I969 HydrophobicContact CD1-CD1 3.8Å; F901-I969 HydrophobicContact CE2-CD1 4.28Å; F901-I969 HydrophobicContact CZ-CD1 3.95Å; R965-I969 PolarHBondContact O-N 3.04Å; C966-I969 WeakPolarHBondContact O-CG2 3.46Å; L967-I969 VanDerWaalsContact C-N 3.31Å; L967-I969 PolarHBondContact O-N 3.29Å; I969-I972 HydrophobicContact CG1-CB 4.35Å; I969-I972 CarbonylContact O-C 3.52Å; I969-I972 WeakPolarHBondContact O-CA 3.41Å; I969-I972 VanDerWaalsContact O-CB 3.27Å; I969-I972 WeakPolarHBondContact O-CB 3.49Å; I969-I972 PolarHBondContact O-N 3.33Å; I969-L973 HydrophobicContact CD1-CD2 4.04Å; I969-L973 HydrophobicContact CG1-CD2 4.03Å; I969-L973 HydrophobicContact CG1-CG 4.11Å; I969-L973 HydrophobicContact CG2-CD1 4.07Å; I969-L973 HydrophobicContact CG2-CG 4.16Å; I969-L973 PolarHBondContact O-N 2.95Å; I969-L1001 HydrophobicContact CG2-CD1 4.06Å
970L97.4Very high96.2Very high0 Ų06.2 Ų6.20%03%0.028CC..Hα-helixtrans-48.7-56-174.9-70.5171.2000115.6W660 L967 I972 L973 D974 L1001 F1004W660-L970 HydrophobicContact CH2-CB 3.84Å; W660-L970 HydrophobicContact CH2-CD1 4.29Å; W660-L970 HydrophobicContact CZ2-CB 3.83Å; L967-L970 HydrophobicContact CD2-CD1 4.49Å; L967-L970 PolarHBondContact O-N 3.45Å; L970-I972 PolarHBondContact O-N 3.4Å; L970-I972 VanDerWaalsContact O-N 3.15Å; L970-L973 WeakPolarHBondContact O-CB 3.42Å; L970-L973 PolarHBondContact O-N 3.41Å; L970-L973 VanDerWaalsContact O-N 3.1Å; L970-D974 PolarHBondContact O-N 3.26Å; L970-L1001 HydrophobicContact CD2-CB 3.95Å; L970-L1001 WeakPolarHBondContact CD2-O 3.17Å; L970-F1004 HydrophobicContact CD1-CB 4Å
971P96.7Very high96.3Very high0 Ų05.5 Ų5.50%02%0.023CC..Hα-helixtrans-64.4-21.1178.426.8-36.3000113R656 H659 W660 M975R656-P971 HydrophobicContact CB-CG 4.14Å; H659-P971 HydrophobicContact CB-CB 4.48Å; W660-P971 HydrophobicContact CZ2-CB 4.1Å; P971-M975 WeakPolarHBondContact O-CG 3.39Å; P971-M975 PolarHBondContact O-N 3.23Å
972I97.9Very high96.3Very high2 Ų25.5 Ų5.51%0.012%0.023CC..Hα-helixtrans-82.5-31.8178.6-57.4163.2000109.8L655 E868 I871 L872 I875 I969 L970 D974 M975 L976L655-I972 HydrophobicContact CD2-CD1 4.28Å; L655-I972 HydrophobicContact CD2-CG1 3.81Å; E868-I972 HydrophobicContact CB-CD1 3.67Å; E868-I972 HydrophobicContact CG-CD1 4.37Å; I871-I972 HydrophobicContact CB-CG2 4.19Å; I871-I972 HydrophobicContact CG2-CG2 3.65Å; L872-I972 HydrophobicContact CB-CD1 4.33Å; L872-I972 HydrophobicContact CB-CG1 4.48Å; L872-I972 HydrophobicContact CB-CG2 4.24Å; L872-I972 HydrophobicContact CD1-CG1 4.25Å; I875-I972 HydrophobicContact CD1-CG2 3.94Å; I969-I972 HydrophobicContact CG1-CB 4.35Å; I969-I972 CarbonylContact O-C 3.52Å; I969-I972 WeakPolarHBondContact O-CA 3.41Å; I969-I972 VanDerWaalsContact O-CB 3.27Å; I969-I972 WeakPolarHBondContact O-CB 3.49Å; I969-I972 PolarHBondContact O-N 3.33Å; L970-I972 PolarHBondContact O-N 3.4Å; L970-I972 VanDerWaalsContact O-N 3.15Å; I972-D974 VanDerWaalsContact C-N 3.35Å; I972-M975 PolarHBondContact O-N 3.4Å; I972-L976 VanDerWaalsContact O-CB 3.32Å; I972-L976 WeakPolarHBondContact O-CB 3.48Å; I972-L976 PolarHBondContact O-N 2.94Å
973L97.7Very high96.3Very high0 Ų05.7 Ų5.70%03%0.025CC..Hα-helixtrans-63.8-40.9170.9-64.7-178.2000111.4I969 L970 M975 L976 F977 V998 L1001 Y1002I969-L973 HydrophobicContact CD1-CD2 4.04Å; I969-L973 HydrophobicContact CG1-CD2 4.03Å; I969-L973 HydrophobicContact CG1-CG 4.11Å; I969-L973 HydrophobicContact CG2-CD1 4.07Å; I969-L973 HydrophobicContact CG2-CG 4.16Å; I969-L973 PolarHBondContact O-N 2.95Å; L970-L973 WeakPolarHBondContact O-CB 3.42Å; L970-L973 PolarHBondContact O-N 3.41Å; L970-L973 VanDerWaalsContact O-N 3.1Å; L973-M975 VanDerWaalsContact C-N 3.32Å; L973-M975 PolarHBondContact O-N 3.25Å; L973-L976 HydrophobicContact CD2-CD2 4.18Å; L973-L976 WeakPolarHBondContact O-CB 3.39Å; L973-L976 PolarHBondContact O-N 3.22Å; L973-L976 VanDerWaalsContact O-N 3.14Å; L973-F977 HydrophobicContact CB-CE2 4.27Å; L973-F977 WeakPolarHBondContact O-CD2 3.47Å; L973-F977 PolarHBondContact O-N 3.2Å; L973-V998 HydrophobicContact CD1-CB 3.79Å; L973-V998 HydrophobicContact CD1-CG1 4.46Å; L973-V998 HydrophobicContact CD1-CG2 3.95Å; L973-V998 HydrophobicContact CD2-CB 4.25Å; L973-V998 HydrophobicContact CD2-CG1 4.26Å; L973-V998 HydrophobicContact CD2-CG2 4Å; L973-L1001 HydrophobicContact CD1-CD1 4.14Å; L973-Y1002 HydrophobicContact CB-CE2 4.5Å
974D97.7Very high96.1Very high1 Ų18.5 Ų8.51%0.0054%0.043CC..Hα-helixtrans-56.3-49.5174-66.1-10.4000110.8H659 W660 L970 I972 L976 F977 H978 Y1002 H1005 F1011H659-D974 IonicContact CD2-OD2 3.28Å; H659-D974 VanDerWaalsContact NE2-CB 3.26Å; H659-D974 WeakPolarHBondContact NE2-CB 3.41Å; H659-D974 IonicContact NE2-OD2 2.78Å; W660-D974 PolarHBondContact NE1-OD2 3.48Å; L970-D974 PolarHBondContact O-N 3.26Å; I972-D974 VanDerWaalsContact C-N 3.35Å; D974-L976 VanDerWaalsContact C-N 3.31Å; D974-L976 PolarHBondContact O-N 2.94Å; D974-F977 PolarHBondContact O-N 3.2Å; D974-H978 PolarHBondContact O-CD2 3.15Å; D974-H978 PolarHBondContact O-N 2.81Å; D974-H978 PolarHBondContact O-ND1 3.28Å; D974-Y1002 WeakPolarHBondContact OD1-CE1 3.44Å; D974-Y1002 PolarHBondContact OD1-OH 3.47Å; D974-H1005 IonicContact OD1-CD2 2.77Å; D974-H1005 IonicContact OD1-NE2 3.28Å; D974-H1005 IonicContact OD2-CD2 2.86Å; D974-H1005 IonicContact OD2-NE2 2.82Å; D974-H1005 PolarHBondContact OD2-NE2 2.89Å; D974-H1005 VanDerWaalsContact OD2-NE2 3.15Å; D974-F1011 HydrophobicContact CB-CD2 3.85Å; D974-F1011 HydrophobicContact CB-CE2 3.6Å; D974-F1011 VanDerWaalsContact CG-CD2 3.42Å; D974-F1011 WeakPolarHBondContact OD1-CD2 3.33Å; D974-F1011 WeakPolarHBondContact OD1-CE2 3.37Å
975M96.9Very high95.9Very high2 Ų212.3 Ų12.31%0.017%0.066CC..Hα-helixtrans-64.7-34.3177.2-63.8173.4-173.300112.6L655 H659 S698 L872 I875 F876 P971 I972 L973 H978 R979L655-M975 HydrophobicContact CD1-CE 3.7Å; L655-M975 HydrophobicContact CD1-SD 4.42Å; L655-M975 HydrophobicContact CD2-CE 4.5Å; L655-M975 HydrophobicContact CG-CE 4.02Å; H659-M975 HydrophobicContact CB-CE 3.82Å; H659-M975 WeakPolarHBondContact ND1-CE 3.04Å; S698-M975 WeakPolarHBondContact OG-CE 3.43Å; L872-M975 HydrophobicContact CD1-SD 3.95Å; I875-M975 HydrophobicContact CD1-CB 4.25Å; I875-M975 HydrophobicContact CG2-CB 4.26Å; F876-M975 HydrophobicContact CE2-SD 3.63Å; F876-M975 HydrophobicContact CZ-CE 4.45Å; F876-M975 HydrophobicContact CZ-SD 3.79Å; P971-M975 WeakPolarHBondContact O-CG 3.39Å; P971-M975 PolarHBondContact O-N 3.23Å; I972-M975 PolarHBondContact O-N 3.4Å; L973-M975 VanDerWaalsContact C-N 3.32Å; L973-M975 PolarHBondContact O-N 3.25Å; M975-H978 PolarHBondContact O-N 2.99Å; M975-R979 WeakPolarHBondContact O-CB 3.45Å; M975-R979 PolarHBondContact O-N 3.39Å
976L97.4Very high95.7Very high0 Ų011 Ų110%06%0.062CC..Hα-helixtrans-64.7-47.4176.2-177.857.9000110.5I871 I875 M888 V891 M892 I895 I972 L973 D974 H978 R979 M980I871-L976 HydrophobicContact CG2-CD2 4.43Å; I875-L976 HydrophobicContact CD1-CB 3.85Å; I875-L976 HydrophobicContact CD1-CD1 4.15Å; I875-L976 HydrophobicContact CG1-CD1 4.18Å; M888-L976 HydrophobicContact SD-CD1 4.06Å; V891-L976 HydrophobicContact CG1-CD1 3.93Å; V891-L976 HydrophobicContact CG1-CD2 4.25Å; M892-L976 HydrophobicContact CE-CD1 3.8Å; M892-L976 HydrophobicContact CE-CD2 3.77Å; M892-L976 HydrophobicContact CE-CG 4.05Å; I895-L976 HydrophobicContact CD1-CD2 3.72Å; I972-L976 VanDerWaalsContact O-CB 3.32Å; I972-L976 WeakPolarHBondContact O-CB 3.48Å; I972-L976 PolarHBondContact O-N 2.94Å; L973-L976 HydrophobicContact CD2-CD2 4.18Å; L973-L976 WeakPolarHBondContact O-CB 3.39Å; L973-L976 PolarHBondContact O-N 3.22Å; L973-L976 VanDerWaalsContact O-N 3.14Å; D974-L976 VanDerWaalsContact C-N 3.31Å; D974-L976 PolarHBondContact O-N 2.94Å; L976-H978 VanDerWaalsContact C-N 3.33Å; L976-H978 PolarHBondContact O-N 3.41Å; L976-R979 PolarHBondContact O-N 3.15Å; L976-M980 HydrophobicContact CG-SD 4.44Å; L976-M980 VanDerWaalsContact O-CG 3.27Å; L976-M980 WeakPolarHBondContact O-CG 3.43Å; L976-M980 PolarHBondContact O-N 3.07Å
977F97.1Very high95.5Very high3 Ų311.3 Ų11.31%0.0136%0.064CC..Hα-helixtrans-64.9-37.9176.1-68.5-55.9000112.2L973 D974 R979 M980 I981 L991 T994 V995 V998 Y1002 F1011 L1033L973-F977 HydrophobicContact CB-CE2 4.27Å; L973-F977 WeakPolarHBondContact O-CD2 3.47Å; L973-F977 PolarHBondContact O-N 3.2Å; D974-F977 PolarHBondContact O-N 3.2Å; F977-R979 VanDerWaalsContact C-N 3.34Å; F977-R979 PolarHBondContact O-N 2.84Å; F977-M980 HydrophobicContact CD1-SD 4Å; F977-M980 HydrophobicContact CE1-SD 4.35Å; F977-M980 PolarHBondContact O-N 3.17Å; F977-I981 WeakPolarHBondContact O-CD1 3.45Å; F977-I981 VanDerWaalsContact O-CG1 3.23Å; F977-I981 WeakPolarHBondContact O-CG1 3.36Å; F977-I981 PolarHBondContact O-N 2.93Å; F977-L991 HydrophobicContact CD1-CD1 3.89Å; F977-L991 HydrophobicContact CE1-CD1 4Å; F977-T994 HydrophobicContact CE1-CG2 3.99Å; F977-T994 HydrophobicContact CZ-CG2 4.25Å; F977-V995 HydrophobicContact CE1-CG2 3.7Å; F977-V995 HydrophobicContact CZ-CG2 3.97Å; F977-V998 HydrophobicContact CE2-CG2 4.36Å; F977-V998 HydrophobicContact CZ-CG2 3.84Å; F977-Y1002 HydrophobicContact CD2-CE2 4.42Å; F977-Y1002 WeakPolarHBondContact CD2-OH 3.38Å; F977-Y1002 AromaticContact CE2-CE2 3.74Å; F977-Y1002 HydrophobicContact CE2-CE2 3.74Å; F977-Y1002 WeakPolarHBondContact CE2-OH 3.22Å; F977-F1011 HydrophobicContact CD2-CZ 4.4Å; F977-L1033 HydrophobicContact CD1-CD2 4.01Å; F977-L1033 HydrophobicContact CD2-CD2 4.45Å; F977-L1033 HydrophobicContact CE1-CD2 4.32Å; F977-L1033 HydrophobicContact CG-CD2 4.09Å
978H96.2Very high95.1Very high5 Ų515 Ų152%0.0239%0.09CC..Hα-helixtrans-57.5-48.3171-67.5167.6000111.1D974 M975 L976 M980 I981 E982 F1011 T1015 Y1019D974-H978 PolarHBondContact O-CD2 3.15Å; D974-H978 PolarHBondContact O-N 2.81Å; D974-H978 PolarHBondContact O-ND1 3.28Å; M975-H978 PolarHBondContact O-N 2.99Å; L976-H978 VanDerWaalsContact C-N 3.33Å; L976-H978 PolarHBondContact O-N 3.41Å; H978-M980 VanDerWaalsContact C-N 3.32Å; H978-M980 PolarHBondContact O-N 3.19Å; H978-I981 PolarHBondContact O-N 2.82Å; H978-E982 WeakPolarHBondContact O-CG 3.31Å; H978-E982 PolarHBondContact O-N 3.13Å; H978-F1011 AromaticContact NE2-CE2 3.6Å; H978-T1015 PolarHBondContact NE2-OG1 3.4Å; H978-Y1019 HydrophobicContact CB-CE2 3.9Å; H978-Y1019 WeakPolarHBondContact CB-OH 3.46Å; H978-Y1019 AromaticContact CD2-CE2 3.68Å; H978-Y1019 AromaticContact CG-CE2 3.74Å
979R95.8Very high94.8Very high7 Ų720 Ų203%0.02611%0.113CC..Hα-helixtrans-64.1-36.1177.9-168.161.3175.9146.24.7112.8P734 S736 T737 I875 Y879 M888 M975 L976 F977 E982 I983P734-R979 VanDerWaalsContact CG-NH2 3.32Å; S736-R979 PolarHBondContact OG-NH1 3.4Å; S736-R979 VanDerWaalsContact OG-NH1 3.09Å; T737-R979 PolarHBondContact OG1-NH1 3.03Å; I875-R979 HydrophobicContact CG2-CB 4.15Å; I875-R979 HydrophobicContact CG2-CG 4.38Å; Y879-R979 PolarHBondContact O-NH2 3.45Å; Y879-R979 VanDerWaalsContact O-NH2 3.08Å; M888-R979 HydrophobicContact CE-CG 4.35Å; M888-R979 HydrophobicContact SD-CB 4.48Å; M888-R979 HydrophobicContact SD-CG 3.88Å; M975-R979 WeakPolarHBondContact O-CB 3.45Å; M975-R979 PolarHBondContact O-N 3.39Å; L976-R979 PolarHBondContact O-N 3.15Å; F977-R979 VanDerWaalsContact C-N 3.34Å; F977-R979 PolarHBondContact O-N 2.84Å; R979-E982 WeakPolarHBondContact CD-OE2 3.33Å; R979-E982 IonicContact NH1-OE2 2.8Å; R979-E982 PolarHBondContact NH1-OE2 3.37Å; R979-E982 PolarHBondContact O-N 2.68Å; R979-I983 HydrophobicContact CG-CD1 4.31Å; R979-I983 WeakPolarHBondContact O-CG1 3.33Å; R979-I983 PolarHBondContact O-N 2.95Å
980M94.8Very high94.6Very high0 Ų021 Ų210%012%0.118CC..Hα-helixtrans-64-45.8173.1-68.6176.373.600111.1M892 L976 F977 H978 E982 I983 V986 C987 F990 L991M892-M980 HydrophobicContact CE-SD 4.31Å; M892-M980 HydrophobicContact SD-CE 4.04Å; M892-M980 HydrophobicContact SD-SD 4.09Å; L976-M980 HydrophobicContact CG-SD 4.44Å; L976-M980 VanDerWaalsContact O-CG 3.27Å; L976-M980 WeakPolarHBondContact O-CG 3.43Å; L976-M980 PolarHBondContact O-N 3.07Å; F977-M980 HydrophobicContact CD1-SD 4Å; F977-M980 HydrophobicContact CE1-SD 4.35Å; F977-M980 PolarHBondContact O-N 3.17Å; H978-M980 VanDerWaalsContact C-N 3.32Å; H978-M980 PolarHBondContact O-N 3.19Å; M980-E982 VanDerWaalsContact C-N 3.27Å; M980-E982 PolarHBondContact O-N 3.46Å; M980-I983 CarbonylContact O-C 3.47Å; M980-I983 VanDerWaalsContact O-C 3.25Å; M980-I983 PolarHBondContact O-N 2.82Å; M980-V986 HydrophobicContact CB-CG1 4.49Å; M980-V986 HydrophobicContact CG-CG1 4Å; M980-C987 WeakPolarHBondContact O-CB 3.46Å; M980-F990 HydrophobicContact CE-CB 3.92Å; M980-L991 VanDerWaalsContact CE-CA 3.48Å; M980-L991 HydrophobicContact CE-CB 4.04Å; M980-L991 HydrophobicContact CE-CD1 4.32Å
981I95.7Very high94.4Very high4 Ų421.3 Ų21.32%0.02112%0.119CC..Hα-helixtrans-60.2-38.9177.7-67.8162.6000111.1F977 H978 I983 T1015 Y1019 R1022 L1023 T1029 L1033F977-I981 WeakPolarHBondContact O-CD1 3.45Å; F977-I981 VanDerWaalsContact O-CG1 3.23Å; F977-I981 WeakPolarHBondContact O-CG1 3.36Å; F977-I981 PolarHBondContact O-N 2.93Å; H978-I981 PolarHBondContact O-N 2.82Å; I981-I983 PolarHBondContact O-N 3.37Å; I981-T1015 HydrophobicContact CD1-CG2 3.7Å; I981-Y1019 HydrophobicContact CD1-CD2 4.44Å; I981-Y1019 HydrophobicContact CG2-CD1 3.93Å; I981-Y1019 HydrophobicContact CG2-CD2 4.31Å; I981-Y1019 HydrophobicContact CG2-CG 3.74Å; I981-R1022 HydrophobicContact CG2-CB 4.43Å; I981-R1022 HydrophobicContact CG2-CG 3.83Å; I981-R1022 WeakPolarHBondContact O-CG 3.35Å; I981-L1023 HydrophobicContact CD1-CD2 4.15Å; I981-L1023 HydrophobicContact CG1-CD2 4.09Å; I981-L1023 HydrophobicContact CG2-CD2 3.94Å; I981-L1023 HydrophobicContact CG2-CG 4.12Å; I981-T1029 HydrophobicContact CG1-CG2 4.08Å; I981-L1033 HydrophobicContact CD1-CD1 4.09Å
982E94.9Very high94Very high8 Ų824.4 Ų24.44%0.03714%0.135CC..Hα-helixtrans-62.1-26.6176.3-71.3171.2-173.200113.3T737 F740 H978 R979 M980 P984 Y1019T737-E982 WeakPolarHBondContact CB-OE2 3.5Å; T737-E982 PolarHBondContact OG1-OE2 2.96Å; F740-E982 HydrophobicContact CD2-CG 3.89Å; F740-E982 HydrophobicContact CE2-CB 4.23Å; F740-E982 HydrophobicContact CE2-CG 3.83Å; H978-E982 WeakPolarHBondContact O-CG 3.31Å; H978-E982 PolarHBondContact O-N 3.13Å; R979-E982 WeakPolarHBondContact CD-OE2 3.33Å; R979-E982 IonicContact NH1-OE2 2.8Å; R979-E982 PolarHBondContact NH1-OE2 3.37Å; R979-E982 PolarHBondContact O-N 2.68Å; M980-E982 VanDerWaalsContact C-N 3.27Å; M980-E982 PolarHBondContact O-N 3.46Å; E982-P984 WeakPolarHBondContact O-CD 3.04Å; E982-Y1019 HydrophobicContact CG-CE1 3.6Å; E982-Y1019 PolarHBondContact OE1-OH 2.97Å
983I94.2Very high93.7Very high16 Ų1626.1 Ų26.18%0.08215%0.15CC..SBendtrans-118.590.1-176.7-49.9166.1000110.1A884 M888 R979 M980 I981 T985 V986 C987A884-I983 HydrophobicContact CB-CD1 3.84Å; M888-I983 HydrophobicContact CG-CD1 4.18Å; R979-I983 HydrophobicContact CG-CD1 4.31Å; R979-I983 WeakPolarHBondContact O-CG1 3.33Å; R979-I983 PolarHBondContact O-N 2.95Å; M980-I983 CarbonylContact O-C 3.47Å; M980-I983 VanDerWaalsContact O-C 3.25Å; M980-I983 PolarHBondContact O-N 2.82Å; I981-I983 PolarHBondContact O-N 3.37Å; I983-T985 VanDerWaalsContact C-N 3.3Å; I983-T985 PolarHBondContact O-N 3.48Å; I983-T985 VanDerWaalsContact O-N 3.11Å; I983-V986 HydrophobicContact CB-CB 4.08Å; I983-V986 HydrophobicContact CB-CG2 4.03Å; I983-V986 HydrophobicContact CG2-CB 3.99Å; I983-V986 HydrophobicContact CG2-CG2 3.5Å; I983-V986 WeakPolarHBondContact O-CB 3.47Å; I983-V986 PolarHBondContact O-N 3.45Å; I983-C987 PolarHBondContact O-N 3.33Å
984P91.1Very high93.6Very high61 Ų6126.1 Ų26.140%0.39615%0.15SC..Hα-helixtrans-55.3-37.9-170.5-28.334.3000115.3E982 V986 C987 S988E982-P984 WeakPolarHBondContact O-CD 3.04Å; P984-V986 VanDerWaalsContact C-N 3.3Å; P984-V986 PolarHBondContact O-N 3.5Å; P984-C987 PolarHBondContact O-N 3.37Å; P984-S988 PolarHBondContact O-N 3.48Å; P984-S988 PolarHBondContact O-OG 3.18Å
985T91.5Very high93.4Very high80 Ų8026.9 Ų26.949%0.49116%0.155SC..Hα-helixtrans-67.9-29.4179.552.90000112.9I983 S988 K989I983-T985 VanDerWaalsContact C-N 3.3Å; I983-T985 PolarHBondContact O-N 3.48Å; I983-T985 VanDerWaalsContact O-N 3.11Å; T985-S988 PolarHBondContact O-OG 2.97Å; T985-K989 WeakPolarHBondContact O-CG 3.47Å
986V91.7Very high93.2Very high0 Ų030.8 Ų30.80%018%0.182CC..Hα-helixtrans-76.6-46.7173.2172.30000109.2F885 M888 M980 I983 P984 S988 K989 F990F885-V986 HydrophobicContact CD2-CG2 3.68Å; F885-V986 HydrophobicContact CE2-CG2 4.27Å; F885-V986 HydrophobicContact CG-CG2 4.44Å; M888-V986 HydrophobicContact CB-CB 4.38Å; M888-V986 HydrophobicContact CB-CG1 3.52Å; M888-V986 HydrophobicContact CB-CG2 3.89Å; M888-V986 HydrophobicContact CG-CG1 3.87Å; M888-V986 HydrophobicContact CG-CG2 4.18Å; M980-V986 HydrophobicContact CB-CG1 4.49Å; M980-V986 HydrophobicContact CG-CG1 4Å; I983-V986 HydrophobicContact CB-CB 4.08Å; I983-V986 HydrophobicContact CB-CG2 4.03Å; I983-V986 HydrophobicContact CG2-CB 3.99Å; I983-V986 HydrophobicContact CG2-CG2 3.5Å; I983-V986 WeakPolarHBondContact O-CB 3.47Å; I983-V986 PolarHBondContact O-N 3.45Å; P984-V986 VanDerWaalsContact C-N 3.3Å; P984-V986 PolarHBondContact O-N 3.5Å; V986-S988 PolarHBondContact O-N 3.47Å; V986-K989 PolarHBondContact O-N 2.87Å; V986-F990 HydrophobicContact CB-CD2 4.42Å; V986-F990 HydrophobicContact CG1-CD2 3.87Å; V986-F990 WeakPolarHBondContact O-CD2 3.38Å; V986-F990 PolarHBondContact O-N 2.89Å
987C91.5Very high93.2Very high7 Ų731.9 Ų31.95%0.04719%0.188CC..Hα-helixtrans-55-51.3179-162.30000111.7M980 I983 P984 K989 L991M980-C987 WeakPolarHBondContact O-CB 3.46Å; I983-C987 PolarHBondContact O-N 3.33Å; P984-C987 PolarHBondContact O-N 3.37Å; C987-K989 VanDerWaalsContact C-N 3.32Å; C987-K989 PolarHBondContact O-N 3.01Å; C987-L991 WeakPolarHBondContact O-CB 3.25Å; C987-L991 PolarHBondContact O-N 3.26Å; C987-L991 VanDerWaalsContact O-N 3.11Å
988S87.9Confident93.2Very high89 Ų8931.8 Ų31.862%0.62219%0.187SC*.Hα-helixtrans-65.3-33.9-176.761.60000113.3P984 T985 V986P984-S988 PolarHBondContact O-N 3.48Å; P984-S988 PolarHBondContact O-OG 3.18Å; T985-S988 PolarHBondContact O-OG 2.97Å; V986-S988 PolarHBondContact O-N 3.47Å
989K89.7Confident93.2Very high135 Ų13531.7 Ų31.759%0.58719%0.188SC*.Hα-helixtrans-82-36.3-177.8-73.4-174-174.5178.50114.1F885 T985 V986 C987F885-K989 HydrophobicContact CE2-CD 3.86Å; F885-K989 HydrophobicContact CZ-CD 3.84Å; T985-K989 WeakPolarHBondContact O-CG 3.47Å; V986-K989 PolarHBondContact O-N 2.87Å; C987-K989 VanDerWaalsContact C-N 3.32Å; C987-K989 PolarHBondContact O-N 3.01Å
990F92.7Very high93.2Very high22 Ų2233.6 Ų33.610%0.09620%0.201CC..Hα-helixtrans-118.6-11.6-165.6-55.4-65.8000115.2F885 L889 M892 M980 V986 D992 T994F885-F990 AromaticContact CE2-CE2 3.98Å; F885-F990 HydrophobicContact CE2-CE2 3.98Å; F885-F990 AromaticContact CZ-CE2 3.97Å; F885-F990 HydrophobicContact CZ-CE2 3.97Å; F885-F990 HydrophobicContact CZ-CZ 4.09Å; L889-F990 HydrophobicContact CB-CZ 4.46Å; L889-F990 HydrophobicContact CD1-CE1 3.95Å; L889-F990 HydrophobicContact CD1-CZ 3.56Å; M892-F990 HydrophobicContact CB-CB 4.27Å; M892-F990 HydrophobicContact CB-CD1 3.97Å; M892-F990 HydrophobicContact CB-CE1 4.46Å; M892-F990 HydrophobicContact CB-CG 4.02Å; M892-F990 HydrophobicContact CG-CB 3.6Å; M892-F990 HydrophobicContact CG-CD1 4.08Å; M892-F990 HydrophobicContact CG-CD2 3.87Å; M892-F990 HydrophobicContact CG-CG 3.59Å; M892-F990 HydrophobicContact SD-CB 3.58Å; M892-F990 VanDerWaalsContact SD-CB 3.58Å; M892-F990 HydrophobicContact SD-CG 4.26Å; M980-F990 HydrophobicContact CE-CB 3.92Å; V986-F990 HydrophobicContact CB-CD2 4.42Å; V986-F990 HydrophobicContact CG1-CD2 3.87Å; V986-F990 WeakPolarHBondContact O-CD2 3.38Å; V986-F990 PolarHBondContact O-N 2.89Å; F990-D992 PolarHBondContact O-N 2.94Å; F990-T994 VanDerWaalsContact O-CB 3.31Å; F990-T994 WeakPolarHBondContact O-CB 3.25Å; F990-T994 PolarHBondContact O-N 3.33Å; F990-T994 PolarHBondContact O-OG1 2.95Å
991L92.5Very high93.4Very high5 Ų533.6 Ų33.63%0.02620%0.201CC..Hα-helixtrans-56.9-49-174.6-178.868.4000112.2F977 M980 C987 T994 V995 T1029 K1032 L1033F977-L991 HydrophobicContact CD1-CD1 3.89Å; F977-L991 HydrophobicContact CE1-CD1 4Å; M980-L991 VanDerWaalsContact CE-CA 3.48Å; M980-L991 HydrophobicContact CE-CB 4.04Å; M980-L991 HydrophobicContact CE-CD1 4.32Å; C987-L991 WeakPolarHBondContact O-CB 3.25Å; C987-L991 PolarHBondContact O-N 3.26Å; C987-L991 VanDerWaalsContact O-N 3.11Å; L991-T994 PolarHBondContact O-N 3.45Å; L991-V995 HydrophobicContact CD1-CG2 3.69Å; L991-V995 HydrophobicContact CG-CG2 4.07Å; L991-V995 VanDerWaalsContact O-CB 3.27Å; L991-V995 WeakPolarHBondContact O-CB 3.37Å; L991-V995 VanDerWaalsContact O-CG2 3.23Å; L991-V995 WeakPolarHBondContact O-CG2 3.29Å; L991-V995 PolarHBondContact O-N 3.05Å; L991-T1029 HydrophobicContact CD2-CG2 3.82Å; L991-K1032 HydrophobicContact CD2-CB 4.09Å; L991-K1032 HydrophobicContact CD2-CD 3.96Å; L991-L1033 HydrophobicContact CD1-CD2 4.09Å
992D89.9Confident93.4Very high65 Ų6533.6 Ų33.635%0.34820%0.201SC..Hα-helixtrans-61.6-51.7-174.6-68.2-29.6000112.9F990 T994 V995 S996 K1032F990-D992 PolarHBondContact O-N 2.94Å; D992-T994 PolarHBondContact O-N 2.88Å; D992-V995 PolarHBondContact O-N 3.2Å; D992-S996 WeakPolarHBondContact O-CB 3.35Å; D992-S996 PolarHBondContact O-N 3.22Å; D992-S996 PolarHBondContact O-OG 2.82Å; D992-K1032 WeakPolarHBondContact OD1-CD 3.25Å; D992-K1032 WeakPolarHBondContact OD1-CE 3.38Å; D992-K1032 IonicContact OD1-NZ 3.8Å; D992-K1032 PolarHBondContact OD1-NZ 3.31Å; D992-K1032 IonicContact OD2-NZ 3.19Å; D992-K1032 PolarHBondContact OD2-NZ 3.39Å
993A91.4Very high93.4Very high39 Ų3935.1 Ų35.132%0.32221%0.207SC..Hα-helixtrans-65.7-28.6179.700000112.2Q896 S996 I997Q896-A993 HydrophobicContact CG-CB 4.23Å; Q896-A993 VanDerWaalsContact NE2-CB 3.33Å; A993-S996 PolarHBondContact O-OG 3.03Å; A993-I997 WeakPolarHBondContact O-CD1 3.44Å; A993-I997 WeakPolarHBondContact O-CG1 3.45Å
994T94.5Very high93.4Very high0 Ų035.7 Ų35.70%021%0.208CC..Hα-helixtrans-75-50.6176.5-54.80000110.3M892 F977 F990 L991 D992 S996 I997 V998M892-T994 HydrophobicContact CE-CG2 4.25Å; M892-T994 HydrophobicContact SD-CG2 4.19Å; M892-T994 PolarHBondContact SD-OG1 3.2Å; F977-T994 HydrophobicContact CE1-CG2 3.99Å; F977-T994 HydrophobicContact CZ-CG2 4.25Å; F990-T994 VanDerWaalsContact O-CB 3.31Å; F990-T994 WeakPolarHBondContact O-CB 3.25Å; F990-T994 PolarHBondContact O-N 3.33Å; F990-T994 PolarHBondContact O-OG1 2.95Å; L991-T994 PolarHBondContact O-N 3.45Å; D992-T994 PolarHBondContact O-N 2.88Å; T994-S996 VanDerWaalsContact C-N 3.29Å; T994-S996 PolarHBondContact O-N 2.89Å; T994-I997 PolarHBondContact O-N 3.24Å; T994-I997 VanDerWaalsContact O-N 3.09Å; T994-V998 HydrophobicContact CG2-CG2 4.08Å; T994-V998 WeakPolarHBondContact O-CG2 3.47Å; T994-V998 PolarHBondContact O-N 3.16Å
995V94.5Very high93.5Very high17 Ų1733.1 Ų33.110%0.10319%0.191CC..Hα-helixtrans-60.5-37.3178.91680000111.6F977 L991 D992 I997 G999 L1033 A1036F977-V995 HydrophobicContact CE1-CG2 3.7Å; F977-V995 HydrophobicContact CZ-CG2 3.97Å; L991-V995 HydrophobicContact CD1-CG2 3.69Å; L991-V995 HydrophobicContact CG-CG2 4.07Å; L991-V995 VanDerWaalsContact O-CB 3.27Å; L991-V995 WeakPolarHBondContact O-CB 3.37Å; L991-V995 VanDerWaalsContact O-CG2 3.23Å; L991-V995 WeakPolarHBondContact O-CG2 3.29Å; L991-V995 PolarHBondContact O-N 3.05Å; D992-V995 PolarHBondContact O-N 3.2Å; V995-I997 PolarHBondContact O-N 2.64Å; V995-G999 WeakPolarHBondContact O-CA 3.45Å; V995-G999 PolarHBondContact O-N 3.39Å; V995-L1033 HydrophobicContact CG2-CD2 4.23Å; V995-A1036 HydrophobicContact CG1-CB 3.16Å
996S93.2Very high93.5Very high84 Ų8430.4 Ų30.459%0.58718%0.175SC*.Hα-helixtrans-65.3-28.3176.967.30000113.3D992 A993 T994D992-S996 WeakPolarHBondContact O-CB 3.35Å; D992-S996 PolarHBondContact O-N 3.22Å; D992-S996 PolarHBondContact O-OG 2.82Å; A993-S996 PolarHBondContact O-OG 3.03Å; T994-S996 VanDerWaalsContact C-N 3.29Å; T994-S996 PolarHBondContact O-N 2.89Å
997I96.3Very high93.7Very high23 Ų2331.6 Ų31.612%0.11818%0.18CC..Hα-helixtrans-87.8-54.1179.3-64.5171.7000111I895 Q896 F901 R902 V905 A993 T994 V995I895-I997 HydrophobicContact CG2-CB 4.37Å; I895-I997 HydrophobicContact CG2-CD1 4.32Å; I895-I997 HydrophobicContact CG2-CG2 4.08Å; Q896-I997 HydrophobicContact CB-CD1 4.2Å; Q896-I997 HydrophobicContact CG-CD1 3.95Å; F901-I997 HydrophobicContact CE1-CG2 4.49Å; R902-I997 HydrophobicContact CG-CD1 4.38Å; R902-I997 HydrophobicContact CG-CG2 4.12Å; V905-I997 VanDerWaalsContact CG1-O 3.29Å; V905-I997 WeakPolarHBondContact CG1-O 3.38Å; A993-I997 WeakPolarHBondContact O-CD1 3.44Å; A993-I997 WeakPolarHBondContact O-CG1 3.45Å; T994-I997 PolarHBondContact O-N 3.24Å; T994-I997 VanDerWaalsContact O-N 3.09Å; V995-I997 PolarHBondContact O-N 2.64Å
998V97.2Very high93.8Very high0 Ų031.3 Ų31.30%018%0.178CC..Hα-helixtrans-98.7-14.1-171.4-55.30000114.1I895 F901 L973 F977 T994 P1000 L1001I895-V998 HydrophobicContact CG2-CG1 4.06Å; F901-V998 HydrophobicContact CE1-CG1 3.83Å; F901-V998 HydrophobicContact CZ-CG1 4.13Å; L973-V998 HydrophobicContact CD1-CB 3.79Å; L973-V998 HydrophobicContact CD1-CG1 4.46Å; L973-V998 HydrophobicContact CD1-CG2 3.95Å; L973-V998 HydrophobicContact CD2-CB 4.25Å; L973-V998 HydrophobicContact CD2-CG1 4.26Å; L973-V998 HydrophobicContact CD2-CG2 4Å; F977-V998 HydrophobicContact CE2-CG2 4.36Å; F977-V998 HydrophobicContact CZ-CG2 3.84Å; T994-V998 HydrophobicContact CG2-CG2 4.08Å; T994-V998 WeakPolarHBondContact O-CG2 3.47Å; T994-V998 PolarHBondContact O-N 3.16Å; V998-P1000 VanDerWaalsContact C-CD 3.48Å; V998-P1000 VanDerWaalsContact C-N 3.33Å; V998-L1001 HydrophobicContact CB-CD1 4.43Å; V998-L1001 VanDerWaalsContact O-CB 3.26Å; V998-L1001 WeakPolarHBondContact O-CB 3.4Å; V998-L1001 PolarHBondContact O-N 3.31Å
999G96.3Very high94.2Very high4 Ų427 Ų274%0.04115%0.148CC..G310 helixtrans-51.9-44177.500000113.5V995 L1001 Y1002V995-G999 WeakPolarHBondContact O-CA 3.45Å; V995-G999 PolarHBondContact O-N 3.39Å; G999-L1001 PolarHBondContact O-N 3.39Å; G999-L1001 VanDerWaalsContact O-N 3.09Å; G999-Y1002 WeakPolarHBondContact O-CB 3.23Å; G999-Y1002 PolarHBondContact O-N 2.84Å
1000P96.4Very high94.4Very high46 Ų4622.1 Ų22.130%0.29913%0.131SC..G310 helixtrans-57.1-24.1175.2-29.438000115V909 V998 Y1002 R1003V909-P1000 HydrophobicContact CG1-CB 4.37Å; V909-P1000 HydrophobicContact CG2-CB 3.79Å; V998-P1000 VanDerWaalsContact C-CD 3.48Å; V998-P1000 VanDerWaalsContact C-N 3.33Å; P1000-Y1002 PolarHBondContact O-N 3.33Å; P1000-R1003 WeakPolarHBondContact O-CD 3.42Å; P1000-R1003 VanDerWaalsContact O-CG 3.26Å; P1000-R1003 WeakPolarHBondContact O-CG 3.23Å; P1000-R1003 PolarHBondContact O-N 3.38Å
1001L97.4Very high94.6Very high0 Ų021.4 Ų21.40%013%0.128CC..G310 helixtrans-67.6-21.5176.6-64.3-179000112.9V905 C908 V909 C966 I969 L970 L973 V998 G999 R1003 F1004V905-L1001 HydrophobicContact CG1-CD1 4.38Å; V905-L1001 HydrophobicContact CG1-CD2 3.84Å; V905-L1001 HydrophobicContact CG1-CG 3.87Å; V905-L1001 HydrophobicContact CG2-CD1 4.03Å; V905-L1001 HydrophobicContact CG2-CD2 4.43Å; V905-L1001 HydrophobicContact CG2-CG 4.4Å; C908-L1001 HydrophobicContact CB-CD2 4.47Å; V909-L1001 HydrophobicContact CG2-CD2 4.28Å; C966-L1001 HydrophobicContact CB-CD1 4.34Å; C966-L1001 HydrophobicContact CB-CD2 3.8Å; I969-L1001 HydrophobicContact CG2-CD1 4.06Å; L970-L1001 HydrophobicContact CD2-CB 3.95Å; L970-L1001 WeakPolarHBondContact CD2-O 3.17Å; L973-L1001 HydrophobicContact CD1-CD1 4.14Å; V998-L1001 HydrophobicContact CB-CD1 4.43Å; V998-L1001 VanDerWaalsContact O-CB 3.26Å; V998-L1001 WeakPolarHBondContact O-CB 3.4Å; V998-L1001 PolarHBondContact O-N 3.31Å; G999-L1001 PolarHBondContact O-N 3.39Å; G999-L1001 VanDerWaalsContact O-N 3.09Å; L1001-R1003 PolarHBondContact O-N 3.23Å; L1001-F1004 HydrophobicContact CD2-CD2 4.25Å; L1001-F1004 HydrophobicContact CD2-CE2 4.22Å; L1001-F1004 WeakPolarHBondContact O-CB 3.29Å; L1001-F1004 WeakPolarHBondContact O-CD2 3.41Å; L1001-F1004 PolarHBondContact O-N 3.39Å
1002Y96.9Very high94.8Very high5 Ų521.1 Ų21.12%0.0213%0.126CC..G310 helixtrans-62.1-14.4178.1-85.4-96.7000113.4L973 D974 F977 G999 P1000 F1004 H1005 F1011 V1037 F1041L973-Y1002 HydrophobicContact CB-CE2 4.5Å; D974-Y1002 WeakPolarHBondContact OD1-CE1 3.44Å; D974-Y1002 PolarHBondContact OD1-OH 3.47Å; F977-Y1002 HydrophobicContact CD2-CE2 4.42Å; F977-Y1002 WeakPolarHBondContact CD2-OH 3.38Å; F977-Y1002 AromaticContact CE2-CE2 3.74Å; F977-Y1002 HydrophobicContact CE2-CE2 3.74Å; F977-Y1002 WeakPolarHBondContact CE2-OH 3.22Å; G999-Y1002 WeakPolarHBondContact O-CB 3.23Å; G999-Y1002 PolarHBondContact O-N 2.84Å; P1000-Y1002 PolarHBondContact O-N 3.33Å; Y1002-F1004 PolarHBondContact O-N 2.99Å; Y1002-H1005 HydrophobicContact CD1-CB 4.05Å; Y1002-H1005 AromaticContact CE1-CD2 3.94Å; Y1002-H1005 VanDerWaalsContact O-CB 3.22Å; Y1002-H1005 WeakPolarHBondContact O-CB 3.31Å; Y1002-H1005 PolarHBondContact O-N 2.97Å; Y1002-F1011 HydrophobicContact CD1-CD1 4.39Å; Y1002-F1011 AromaticContact CE1-CD1 3.64Å; Y1002-F1011 HydrophobicContact CE1-CD1 3.64Å; Y1002-F1011 AromaticContact CE1-CE1 3.65Å; Y1002-F1011 HydrophobicContact CE1-CE1 3.65Å; Y1002-F1011 HydrophobicContact CE1-CG 4.26Å; Y1002-F1011 HydrophobicContact CE1-CZ 4.28Å; Y1002-F1011 AromaticContact CZ-CE1 3.98Å; Y1002-V1037 HydrophobicContact CD1-CG2 3.94Å; Y1002-V1037 HydrophobicContact CE1-CG2 4.49Å; Y1002-V1037 HydrophobicContact CG-CG2 4.13Å; Y1002-F1041 WeakPolarHBondContact O-CE2 3.43Å; Y1002-F1041 WeakPolarHBondContact O-CZ 3.41Å
1003R94Very high95.1Very high40 Ų4020.2 Ų20.215%0.15112%0.118CC..G310 helixtrans-61.5-20.917082.4-172.5-61.9-158.2-1.9113.7V909 P914 P1000 L1001 A1040V909-R1003 PolarHBondContact O-NH1 3.21Å; P914-R1003 HydrophobicContact CB-CB 4.43Å; P914-R1003 HydrophobicContact CB-CG 4.48Å; P1000-R1003 WeakPolarHBondContact O-CD 3.42Å; P1000-R1003 VanDerWaalsContact O-CG 3.26Å; P1000-R1003 WeakPolarHBondContact O-CG 3.23Å; P1000-R1003 PolarHBondContact O-N 3.38Å; L1001-R1003 PolarHBondContact O-N 3.23Å; R1003-A1040 HydrophobicContact CB-CB 4.25Å; R1003-A1040 WeakPolarHBondContact CB-O 3.42Å
1004F94.4Very high95.3Very high28 Ų2818.9 Ų18.912%0.12311%0.106CC..G310 helixtrans-99.6-1.6176.2-52.3-64.8000112.8C908 V909 M912 L967 L970 L1001 Y1002C908-F1004 WeakPolarHBondContact SG-CE2 3.4Å; V909-F1004 HydrophobicContact CG2-CE2 4.22Å; M912-F1004 HydrophobicContact CB-CE1 3.81Å; M912-F1004 HydrophobicContact CB-CZ 3.92Å; M912-F1004 VanDerWaalsContact O-CE1 3.31Å; M912-F1004 WeakPolarHBondContact O-CE1 3.2Å; M912-F1004 WeakPolarHBondContact O-CZ 3.44Å; L967-F1004 HydrophobicContact CD2-CB 3.67Å; L967-F1004 HydrophobicContact CD2-CD1 4.36Å; L967-F1004 HydrophobicContact CD2-CD2 4.31Å; L967-F1004 HydrophobicContact CD2-CG 3.87Å; L970-F1004 HydrophobicContact CD1-CB 4Å; L1001-F1004 HydrophobicContact CD2-CD2 4.25Å; L1001-F1004 HydrophobicContact CD2-CE2 4.22Å; L1001-F1004 WeakPolarHBondContact O-CB 3.29Å; L1001-F1004 WeakPolarHBondContact O-CD2 3.41Å; L1001-F1004 PolarHBondContact O-N 3.39Å; Y1002-F1004 PolarHBondContact O-N 2.99Å
1005H94.5Very high95.4Very high6 Ų618.9 Ų18.93%0.02811%0.106CC..  trans-73.6128.2175.9-168.7-72.2000109.1W660 D974 Y1002 F1007 P1008W660-H1005 AromaticContact CD1-NE2 3.98Å; W660-H1005 AromaticContact CE2-CD2 3.92Å; W660-H1005 AromaticContact CE2-CE1 3.88Å; W660-H1005 AromaticContact CE2-NE2 3.29Å; W660-H1005 VanDerWaalsContact CE2-NE2 3.29Å; W660-H1005 AromaticContact CZ2-CD2 3.47Å; W660-H1005 VanDerWaalsContact CZ2-CD2 3.47Å; W660-H1005 WeakPolarHBondContact CZ2-CD2 3.3Å; W660-H1005 AromaticContact CZ2-NE2 3.37Å; W660-H1005 WeakPolarHBondContact CZ2-NE2 3.45Å; W660-H1005 AromaticContact NE1-CE1 3.78Å; W660-H1005 AromaticContact NE1-NE2 3.11Å; W660-H1005 PolarHBondContact NE1-NE2 2.92Å; W660-H1005 VanDerWaalsContact NE1-NE2 3.11Å; D974-H1005 IonicContact OD1-CD2 2.77Å; D974-H1005 IonicContact OD1-NE2 3.28Å; D974-H1005 IonicContact OD2-CD2 2.86Å; D974-H1005 IonicContact OD2-NE2 2.82Å; D974-H1005 PolarHBondContact OD2-NE2 2.89Å; D974-H1005 VanDerWaalsContact OD2-NE2 3.15Å; Y1002-H1005 HydrophobicContact CD1-CB 4.05Å; Y1002-H1005 AromaticContact CE1-CD2 3.94Å; Y1002-H1005 VanDerWaalsContact O-CB 3.22Å; Y1002-H1005 WeakPolarHBondContact O-CB 3.31Å; Y1002-H1005 PolarHBondContact O-N 2.97Å; H1005-F1007 PolarHBondContact CE1-N 2.87Å; H1005-F1007 PolarHBondContact CE1-O 3.42Å; H1005-F1007 WeakPolarHBondContact ND1-CA 3.35Å; H1005-F1007 PolarHBondContact ND1-N 3.41Å; H1005-F1007 PolarHBondContact ND1-O 3.32Å; H1005-P1008 HydrophobicContact CB-CB 4.48Å; H1005-P1008 VanDerWaalsContact ND1-N 3.14Å; H1005-P1008 WeakPolarHBondContact O-CD 3.36Å
1006P91.4Very high95.4Very high23 Ų2318.2 Ų18.215%0.14910%0.102CC..SBendtrans-75-26.4-177.826.2-31.3000113.6Y618 W660 P1008Y618-P1006 PolarHBondContact OH-O 3.12Å; W660-P1006 HydrophobicContact CD2-CG 4.39Å; W660-P1006 HydrophobicContact CE3-CG 3.51Å; W660-P1006 VanDerWaalsContact CH2-CD 3.49Å; W660-P1006 HydrophobicContact CH2-CG 4.04Å; W660-P1006 HydrophobicContact CZ3-CG 3.28Å; P1006-P1008 VanDerWaalsContact C-CD 3.44Å
1007F94.3Very high95.4Very high26 Ų2618.3 Ų18.311%0.1149%0.089CC..  trans-127.550.7-175.8-43.7-70000114.5Y618 W660 H1005 I1009 S1010 F1011 E1112Y618-F1007 HydrophobicContact CD1-CE1 4.18Å; Y618-F1007 HydrophobicContact CE1-CD1 4.33Å; Y618-F1007 AromaticContact CE1-CE1 3.55Å; Y618-F1007 HydrophobicContact CE1-CE1 3.55Å; Y618-F1007 HydrophobicContact CE1-CZ 4.45Å; Y618-F1007 AromaticContact CZ-CE1 3.98Å; W660-F1007 HydrophobicContact CB-CD2 3.79Å; W660-F1007 HydrophobicContact CB-CE2 3.97Å; W660-F1007 HydrophobicContact CD2-CD2 4.3Å; W660-F1007 HydrophobicContact CE3-CD2 4.25Å; W660-F1007 HydrophobicContact CE3-CE2 4.29Å; W660-F1007 HydrophobicContact CG-CD2 4.13Å; H1005-F1007 PolarHBondContact CE1-N 2.87Å; H1005-F1007 PolarHBondContact CE1-O 3.42Å; H1005-F1007 WeakPolarHBondContact ND1-CA 3.35Å; H1005-F1007 PolarHBondContact ND1-N 3.41Å; H1005-F1007 PolarHBondContact ND1-O 3.32Å; F1007-I1009 VanDerWaalsContact C-N 3.28Å; F1007-I1009 PolarHBondContact O-N 3.48Å; F1007-S1010 PolarHBondContact O-N 3.12Å; F1007-F1011 PolarHBondContact O-N 2.75Å; F1007-E1112 VanDerWaalsContact C-OE1 3.31Å; F1007-E1112 VanDerWaalsContact C-OE2 3.31Å; F1007-E1112 VanDerWaalsContact CA-CD 3.42Å; F1007-E1112 WeakPolarHBondContact CA-OE1 3.38Å; F1007-E1112 WeakPolarHBondContact CA-OE2 3.5Å; F1007-E1112 HydrophobicContact CB-CG 4.47Å; F1007-E1112 HydrophobicContact CD1-CG 4.15Å
1008P95Very high95.3Very high0 Ų018.1 Ų18.10%09%0.088CC..Hα-helixtrans-64.3-30.9-170.926.9-35.5000113H1005 P1006 L1012 V1037 F1041 W1049 E1112H1005-P1008 HydrophobicContact CB-CB 4.48Å; H1005-P1008 VanDerWaalsContact ND1-N 3.14Å; H1005-P1008 WeakPolarHBondContact O-CD 3.36Å; P1006-P1008 VanDerWaalsContact C-CD 3.44Å; P1008-L1012 PolarHBondContact O-N 2.76Å; P1008-V1037 HydrophobicContact CB-CG1 3.77Å; P1008-F1041 HydrophobicContact CB-CE2 4.26Å; P1008-F1041 HydrophobicContact CG-CE2 3.98Å; P1008-F1041 HydrophobicContact CG-CZ 4.02Å; P1008-W1049 HydrophobicContact CG-CH2 4.45Å; P1008-E1112 WeakPolarHBondContact CD-OE2 3.46Å
1009I95.2Very high95.2Very high0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-72.4-45.2179.5-58.2-179.3000109.5F1007 F1011 L1012 Y1013 W1049 L1050 E1112 F1113 H1119 H1122 I1126F1007-I1009 VanDerWaalsContact C-N 3.28Å; F1007-I1009 PolarHBondContact O-N 3.48Å; I1009-F1011 VanDerWaalsContact C-N 3.3Å; I1009-F1011 PolarHBondContact O-N 3.27Å; I1009-L1012 PolarHBondContact O-N 3.15Å; I1009-Y1013 WeakPolarHBondContact O-CB 3.31Å; I1009-Y1013 PolarHBondContact O-N 3.27Å; I1009-W1049 HydrophobicContact CD1-CE3 4.39Å; I1009-W1049 HydrophobicContact CD1-CZ3 3.88Å; I1009-W1049 HydrophobicContact CG1-CZ3 3.87Å; I1009-L1050 HydrophobicContact CG1-CD1 4.28Å; I1009-E1112 WeakPolarHBondContact CB-OE2 3.42Å; I1009-E1112 PolarHBondContact N-OE2 2.8Å; I1009-F1113 HydrophobicContact CB-CE2 3.81Å; I1009-F1113 HydrophobicContact CB-CZ 4.23Å; I1009-F1113 HydrophobicContact CD1-CD2 4.37Å; I1009-F1113 HydrophobicContact CD1-CE2 3.85Å; I1009-F1113 HydrophobicContact CG1-CE2 4.37Å; I1009-F1113 HydrophobicContact CG2-CE2 3.74Å; I1009-F1113 HydrophobicContact CG2-CZ 4.02Å; I1009-H1119 WeakPolarHBondContact CD1-CE1 3.13Å; I1009-H1119 WeakPolarHBondContact CD1-ND1 3.35Å; I1009-H1122 HydrophobicContact CG2-CB 3.62Å; I1009-I1126 HydrophobicContact CB-CD1 4.36Å; I1009-I1126 HydrophobicContact CG2-CD1 3.39Å; I1009-I1126 WeakPolarHBondContact O-CD1 3.35Å
1010S94.3Very high95Very high32 Ų3221.4 Ų21.422%0.22410%0.102CC..Hα-helixtrans-61.7-38.9175.8-62.20000111.4F1007 T1014 E1112F1007-S1010 PolarHBondContact O-N 3.12Å; S1010-T1014 VanDerWaalsContact O-CB 3.3Å; S1010-T1014 WeakPolarHBondContact O-CB 3.34Å; S1010-T1014 WeakPolarHBondContact O-CG2 3.44Å; S1010-T1014 PolarHBondContact O-N 2.94Å; S1010-T1014 PolarHBondContact O-OG1 2.84Å; S1010-E1112 WeakPolarHBondContact CA-OE1 3.4Å; S1010-E1112 WeakPolarHBondContact CB-OE1 3.49Å; S1010-E1112 PolarHBondContact N-OE1 3.38Å; S1010-E1112 PolarHBondContact OG-OE1 2.7Å
1011F96.8Very high94.7Very high6 Ų627.7 Ų27.73%0.02612%0.124CC..Hα-helixtrans-57-53.9172.8164.4-106.4000111.2D974 F977 H978 Y1002 F1007 I1009 T1014 T1015D974-F1011 HydrophobicContact CB-CD2 3.85Å; D974-F1011 HydrophobicContact CB-CE2 3.6Å; D974-F1011 VanDerWaalsContact CG-CD2 3.42Å; D974-F1011 WeakPolarHBondContact OD1-CD2 3.33Å; D974-F1011 WeakPolarHBondContact OD1-CE2 3.37Å; F977-F1011 HydrophobicContact CD2-CZ 4.4Å; H978-F1011 AromaticContact NE2-CE2 3.6Å; Y1002-F1011 HydrophobicContact CD1-CD1 4.39Å; Y1002-F1011 AromaticContact CE1-CD1 3.64Å; Y1002-F1011 HydrophobicContact CE1-CD1 3.64Å; Y1002-F1011 AromaticContact CE1-CE1 3.65Å; Y1002-F1011 HydrophobicContact CE1-CE1 3.65Å; Y1002-F1011 HydrophobicContact CE1-CG 4.26Å; Y1002-F1011 HydrophobicContact CE1-CZ 4.28Å; Y1002-F1011 AromaticContact CZ-CE1 3.98Å; F1007-F1011 PolarHBondContact O-N 2.75Å; I1009-F1011 VanDerWaalsContact C-N 3.3Å; I1009-F1011 PolarHBondContact O-N 3.27Å; F1011-T1014 PolarHBondContact O-OG1 3.21Å; F1011-T1015 WeakPolarHBondContact CE2-OG1 2.99Å; F1011-T1015 WeakPolarHBondContact O-CB 3.49Å; F1011-T1015 PolarHBondContact O-N 3.46Å; F1011-T1015 PolarHBondContact O-OG1 2.92Å
1012L97.8Very high94.4Very high0 Ų029.9 Ų29.90%013%0.133CC..Hα-helixtrans-61.7-48.8179.2-73.7176.9000112.1P1008 I1009 T1014 T1015 F1016 L1033 V1037 L1050 I1126P1008-L1012 PolarHBondContact O-N 2.76Å; I1009-L1012 PolarHBondContact O-N 3.15Å; L1012-T1014 PolarHBondContact O-N 3.25Å; L1012-T1015 PolarHBondContact O-N 3.44Å; L1012-F1016 HydrophobicContact CD2-CE1 4.21Å; L1012-F1016 HydrophobicContact CD2-CZ 3.96Å; L1012-F1016 WeakPolarHBondContact O-CB 3.31Å; L1012-F1016 WeakPolarHBondContact O-CG 3.39Å; L1012-F1016 PolarHBondContact O-N 3.31Å; L1012-L1033 HydrophobicContact CD2-CB 4.14Å; L1012-V1037 HydrophobicContact CD1-CB 3.88Å; L1012-V1037 HydrophobicContact CD1-CG1 3.82Å; L1012-V1037 HydrophobicContact CD1-CG2 4.2Å; L1012-V1037 HydrophobicContact CD2-CG2 4.04Å; L1012-V1037 HydrophobicContact CG-CB 4.39Å; L1012-V1037 HydrophobicContact CG-CG1 4.39Å; L1012-V1037 HydrophobicContact CG-CG2 4.16Å; L1012-L1050 HydrophobicContact CD1-CD2 3.77Å; L1012-I1126 HydrophobicContact CB-CD1 3.91Å; L1012-I1126 HydrophobicContact CB-CG1 4.24Å; L1012-I1126 HydrophobicContact CB-CG2 4.2Å; L1012-I1126 HydrophobicContact CD1-CG2 4.12Å
1013Y95.8Very high94.2Very high46 Ų4629.6 Ų29.618%0.1813%0.132CC..Hα-helixtrans-57.6-50.5-178.9179.6-95.8000111.5Y663 I709 I1009 T1015 R1017 H1122 C1125 I1126 M1129Y663-Y1013 HydrophobicContact CE1-CE1 4.49Å; I709-Y1013 HydrophobicContact CG2-CE1 4.32Å; I1009-Y1013 WeakPolarHBondContact O-CB 3.31Å; I1009-Y1013 PolarHBondContact O-N 3.27Å; Y1013-T1015 PolarHBondContact O-N 3.41Å; Y1013-R1017 VanDerWaalsContact O-CB 3.26Å; Y1013-R1017 WeakPolarHBondContact O-CB 3.5Å; Y1013-R1017 PolarHBondContact O-N 3.39Å; Y1013-H1122 AromaticContact CG-CD2 3.96Å; Y1013-C1125 HydrophobicContact CD2-CB 4.23Å; Y1013-C1125 HydrophobicContact CE2-CB 3.99Å; Y1013-I1126 HydrophobicContact CD2-CG1 4.42Å; Y1013-M1129 HydrophobicContact CD2-CE 3.85Å; Y1013-M1129 HydrophobicContact CE2-CE 4.23Å
1014T95Very high93.9Very high10 Ų1030.9 Ų30.96%0.06114%0.141CC..Hα-helixtrans-68.9-35.7-178.661.10000112.1Y663 I709 S1010 F1011 L1012 F1018Y663-T1014 HydrophobicContact CD1-CG2 3.78Å; Y663-T1014 HydrophobicContact CE1-CG2 4.31Å; Y663-T1014 HydrophobicContact CG-CG2 4.48Å; I709-T1014 HydrophobicContact CD1-CG2 3.65Å; S1010-T1014 VanDerWaalsContact O-CB 3.3Å; S1010-T1014 WeakPolarHBondContact O-CB 3.34Å; S1010-T1014 WeakPolarHBondContact O-CG2 3.44Å; S1010-T1014 PolarHBondContact O-N 2.94Å; S1010-T1014 PolarHBondContact O-OG1 2.84Å; F1011-T1014 PolarHBondContact O-OG1 3.21Å; L1012-T1014 PolarHBondContact O-N 3.25Å; T1014-F1018 WeakPolarHBondContact O-CB 3.26Å; T1014-F1018 PolarHBondContact O-N 2.78Å
1015T96.6Very high93.5Very high1 Ų136.1 Ų36.11%0.00617%0.166CC..Hα-helixtrans-66.1-49.1176.8-58.50000111.3H978 I981 F1011 L1012 Y1013 R1017 F1018 Y1019H978-T1015 PolarHBondContact NE2-OG1 3.4Å; I981-T1015 HydrophobicContact CD1-CG2 3.7Å; F1011-T1015 WeakPolarHBondContact CE2-OG1 2.99Å; F1011-T1015 WeakPolarHBondContact O-CB 3.49Å; F1011-T1015 PolarHBondContact O-N 3.46Å; F1011-T1015 PolarHBondContact O-OG1 2.92Å; L1012-T1015 PolarHBondContact O-N 3.44Å; Y1013-T1015 PolarHBondContact O-N 3.41Å; T1015-R1017 VanDerWaalsContact C-N 3.33Å; T1015-R1017 PolarHBondContact O-N 2.78Å; T1015-F1018 PolarHBondContact O-N 3.18Å; T1015-Y1019 HydrophobicContact CG2-CD2 4.12Å; T1015-Y1019 PolarHBondContact O-N 3.41Å
1016F95.7Very high93Very high3 Ų337.5 Ų37.51%0.01318%0.177CC..Hα-helixtrans-66.5-37.1-178.9-70.20.8000111.9L1012 E1020 L1023 K1030 L1033 A1034 I1126 M1129 A1130L1012-F1016 HydrophobicContact CD2-CE1 4.21Å; L1012-F1016 HydrophobicContact CD2-CZ 3.96Å; L1012-F1016 WeakPolarHBondContact O-CB 3.31Å; L1012-F1016 WeakPolarHBondContact O-CG 3.39Å; L1012-F1016 PolarHBondContact O-N 3.31Å; F1016-E1020 VanDerWaalsContact O-CA 3.29Å; F1016-E1020 WeakPolarHBondContact O-CA 3.5Å; F1016-E1020 PolarHBondContact O-N 2.69Å; F1016-L1023 HydrophobicContact CD1-CD1 3.78Å; F1016-K1030 HydrophobicContact CD1-CG 4.38Å; F1016-K1030 HydrophobicContact CE1-CB 4.17Å; F1016-K1030 HydrophobicContact CE1-CG 4.25Å; F1016-K1030 HydrophobicContact CE2-CB 4.19Å; F1016-K1030 HydrophobicContact CZ-CB 3.9Å; F1016-K1030 HydrophobicContact CZ-CG 4.41Å; F1016-K1030 VanDerWaalsContact CZ-O 3.29Å; F1016-K1030 WeakPolarHBondContact CZ-O 3.49Å; F1016-L1033 HydrophobicContact CE1-CB 4.33Å; F1016-L1033 HydrophobicContact CE1-CD1 4.39Å; F1016-L1033 HydrophobicContact CZ-CB 4.42Å; F1016-A1034 HydrophobicContact CE2-CB 4.26Å; F1016-A1034 HydrophobicContact CZ-CB 4.13Å; F1016-I1126 HydrophobicContact CD2-CG2 4.21Å; F1016-I1126 HydrophobicContact CE2-CG2 3.89Å; F1016-M1129 HydrophobicContact CB-CB 4.39Å; F1016-M1129 HydrophobicContact CB-CE 3.89Å; F1016-M1129 HydrophobicContact CB-SD 3.92Å; F1016-M1129 HydrophobicContact CD2-CB 4.13Å; F1016-M1129 HydrophobicContact CD2-CE 4.48Å; F1016-A1130 HydrophobicContact CE2-CB 4.1Å
1017R92.8Very high92.6Very high85 Ų8538.3 Ų38.332%0.32118%0.182SC..Hα-helixtrans-70.4-43176.9-173.367.1-177.3112.53.4112.5I709 Y1013 T1015 E1020I709-R1017 HydrophobicContact CB-CG 4.45Å; I709-R1017 HydrophobicContact CG1-CB 4.16Å; I709-R1017 HydrophobicContact CG1-CG 3.84Å; I709-R1017 HydrophobicContact CG2-CG 4.39Å; Y1013-R1017 VanDerWaalsContact O-CB 3.26Å; Y1013-R1017 WeakPolarHBondContact O-CB 3.5Å; Y1013-R1017 PolarHBondContact O-N 3.39Å; T1015-R1017 VanDerWaalsContact C-N 3.33Å; T1015-R1017 PolarHBondContact O-N 2.78Å; R1017-E1020 IonicContact NH1-OE2 3.22Å; R1017-E1020 PolarHBondContact NH1-OE2 3.31Å
1018F94.4Very high92.2Very high20 Ų2038.9 Ų38.99%0.08819%0.185CC..Hα-helixtrans-72.4-42-177-175.5-118.8000112.6A704 R705 A708 F740 T1014 T1015A704-F1018 HydrophobicContact CB-CZ 4.32Å; R705-F1018 HydrophobicContact CB-CD2 4.23Å; R705-F1018 HydrophobicContact CB-CE2 4.43Å; R705-F1018 HydrophobicContact CB-CG 4.3Å; R705-F1018 HydrophobicContact CG-CB 3.82Å; R705-F1018 HydrophobicContact CG-CD1 4.2Å; R705-F1018 HydrophobicContact CG-CD2 4.08Å; R705-F1018 HydrophobicContact CG-CG 3.77Å; A708-F1018 HydrophobicContact CB-CD2 3.66Å; A708-F1018 HydrophobicContact CB-CE2 3.9Å; F740-F1018 HydrophobicContact CB-CE1 4.18Å; F740-F1018 HydrophobicContact CB-CZ 4.1Å; F740-F1018 WeakPolarHBondContact O-CE2 2.82Å; F740-F1018 WeakPolarHBondContact O-CZ 3.38Å; T1014-F1018 WeakPolarHBondContact O-CB 3.26Å; T1014-F1018 PolarHBondContact O-N 2.78Å; T1015-F1018 PolarHBondContact O-N 3.18Å
1019Y95.2Very high92Very high3 Ų339.4 Ų39.41%0.01219%0.188CC..THydrogen-bonded Turntrans-96.221179.6-64.5-74.4000113.4F740 H978 I981 E982 T1015 K1021 R1022 L1023F740-Y1019 HydrophobicContact CB-CE1 4.23Å; F740-Y1019 AromaticContact CD1-CD1 3.78Å; F740-Y1019 HydrophobicContact CD1-CD1 3.78Å; F740-Y1019 HydrophobicContact CD1-CE1 4.21Å; F740-Y1019 HydrophobicContact CD2-CD1 4.16Å; F740-Y1019 AromaticContact CD2-CE1 3.87Å; F740-Y1019 HydrophobicContact CD2-CE1 3.87Å; F740-Y1019 AromaticContact CE1-CD1 3.96Å; F740-Y1019 HydrophobicContact CE1-CD1 3.96Å; F740-Y1019 HydrophobicContact CE2-CD1 4.31Å; F740-Y1019 HydrophobicContact CE2-CE1 4.28Å; F740-Y1019 AromaticContact CG-CD1 3.89Å; F740-Y1019 HydrophobicContact CG-CD1 3.89Å; F740-Y1019 AromaticContact CG-CE1 3.83Å; F740-Y1019 HydrophobicContact CG-CE1 3.83Å; F740-Y1019 HydrophobicContact CZ-CD1 4.22Å; H978-Y1019 HydrophobicContact CB-CE2 3.9Å; H978-Y1019 WeakPolarHBondContact CB-OH 3.46Å; H978-Y1019 AromaticContact CD2-CE2 3.68Å; H978-Y1019 AromaticContact CG-CE2 3.74Å; I981-Y1019 HydrophobicContact CD1-CD2 4.44Å; I981-Y1019 HydrophobicContact CG2-CD1 3.93Å; I981-Y1019 HydrophobicContact CG2-CD2 4.31Å; I981-Y1019 HydrophobicContact CG2-CG 3.74Å; E982-Y1019 HydrophobicContact CG-CE1 3.6Å; E982-Y1019 PolarHBondContact OE1-OH 2.97Å; T1015-Y1019 HydrophobicContact CG2-CD2 4.12Å; T1015-Y1019 PolarHBondContact O-N 3.41Å; Y1019-K1021 VanDerWaalsContact C-N 3.33Å; Y1019-K1021 PolarHBondContact O-N 3.06Å; Y1019-R1022 PolarHBondContact O-N 3.43Å; Y1019-L1023 WeakPolarHBondContact O-CB 3.26Å; Y1019-L1023 WeakPolarHBondContact O-CG 3.34Å; Y1019-L1023 PolarHBondContact O-N 3.33Å
1020E91.7Very high91.8Very high69 Ų6939.9 Ų39.932%0.32219%0.19SC..Hα-helixtrans-46.9-51.7-174-179.7-173.2177.400112.7F1016 R1017 R1022 L1023 N1024F1016-E1020 VanDerWaalsContact O-CA 3.29Å; F1016-E1020 WeakPolarHBondContact O-CA 3.5Å; F1016-E1020 PolarHBondContact O-N 2.69Å; R1017-E1020 IonicContact NH1-OE2 3.22Å; R1017-E1020 PolarHBondContact NH1-OE2 3.31Å; E1020-R1022 VanDerWaalsContact C-N 3.32Å; E1020-R1022 PolarHBondContact O-N 3.06Å; E1020-L1023 PolarHBondContact O-N 3.24Å; E1020-N1024 WeakPolarHBondContact O-CB 3.43Å; E1020-N1024 PolarHBondContact O-N 3.28Å; E1020-N1024 PolarHBondContact O-ND2 3.12Å
1021K89.2Confident91.8Very high178 Ų17838.5 Ų38.577%0.77418%0.18SC*.Hα-helixtrans-56.2-46.1-178.6-67.7-177.3-179.9177.60112.1Y1019Y1019-K1021 VanDerWaalsContact C-N 3.33Å; Y1019-K1021 PolarHBondContact O-N 3.06Å
1022R91.7Very high91.5Very high46 Ų4640.2 Ų40.217%0.17419%0.188CC..Hα-helixtrans-72.2-42.7-179.5175.365.780-162.60.8111.8F740 I981 Y1019 E1020 N1024 E1025 S1026F740-R1022 HydrophobicContact CE1-CB 3.7Å; F740-R1022 HydrophobicContact CZ-CB 3.75Å; F740-R1022 HydrophobicContact CZ-CG 4.15Å; I981-R1022 HydrophobicContact CG2-CB 4.43Å; I981-R1022 HydrophobicContact CG2-CG 3.83Å; I981-R1022 WeakPolarHBondContact O-CG 3.35Å; Y1019-R1022 PolarHBondContact O-N 3.43Å; E1020-R1022 VanDerWaalsContact C-N 3.32Å; E1020-R1022 PolarHBondContact O-N 3.06Å; R1022-N1024 VanDerWaalsContact C-N 3.27Å; R1022-N1024 PolarHBondContact O-N 2.84Å; R1022-E1025 IonicContact NH1-OE2 3.64Å; R1022-E1025 PolarHBondContact NH1-OE2 3.38Å; R1022-E1025 WeakPolarHBondContact O-CB 3.34Å; R1022-E1025 PolarHBondContact O-N 3.41Å; R1022-E1025 VanDerWaalsContact O-N 3.12Å; R1022-S1026 PolarHBondContact O-N 2.97Å
1023L92.5Very high91.4Very high0 Ų040.4 Ų40.40%019%0.189CC..Hα-helixtrans-72.5-21-176.9-71.4173.3000113I981 F1016 Y1019 E1020 E1025 S1026 T1029 K1030I981-L1023 HydrophobicContact CD1-CD2 4.15Å; I981-L1023 HydrophobicContact CG1-CD2 4.09Å; I981-L1023 HydrophobicContact CG2-CD2 3.94Å; I981-L1023 HydrophobicContact CG2-CG 4.12Å; F1016-L1023 HydrophobicContact CD1-CD1 3.78Å; Y1019-L1023 WeakPolarHBondContact O-CB 3.26Å; Y1019-L1023 WeakPolarHBondContact O-CG 3.34Å; Y1019-L1023 PolarHBondContact O-N 3.33Å; E1020-L1023 PolarHBondContact O-N 3.24Å; L1023-E1025 VanDerWaalsContact C-N 3.29Å; L1023-S1026 CarbonylContact O-C 3.54Å; L1023-S1026 PolarHBondContact O-N 3.43Å; L1023-T1029 HydrophobicContact CD2-CG2 3.57Å; L1023-K1030 HydrophobicContact CB-CD 3.85Å; L1023-K1030 HydrophobicContact CB-CG 3.76Å; L1023-K1030 HydrophobicContact CD1-CG 4.22Å; L1023-K1030 HydrophobicContact CD2-CG 4.15Å; L1023-K1030 HydrophobicContact CG-CG 4.27Å; L1023-K1030 WeakPolarHBondContact O-CE 3.4Å
1024N87.8Confident91.4Very high66 Ų6638.3 Ų38.335%0.35318%0.181SC..Hα-helixtrans-69.2-26.9169.9-72.9-15.8000112.6E1020 R1022 S1026 K1030E1020-N1024 WeakPolarHBondContact O-CB 3.43Å; E1020-N1024 PolarHBondContact O-N 3.28Å; E1020-N1024 PolarHBondContact O-ND2 3.12Å; R1022-N1024 VanDerWaalsContact C-N 3.27Å; R1022-N1024 PolarHBondContact O-N 2.84Å; N1024-S1026 VanDerWaalsContact C-N 3.3Å; N1024-K1030 PolarHBondContact OD1-NZ 3.34Å
1025E85.6Confident91.4Very high138 Ų13840 Ų4065%0.64519%0.187SC*.Hα-helixtrans-75.8-21.6171.7-57.2172.4166.200111.9R1022 L1023R1022-E1025 IonicContact NH1-OE2 3.64Å; R1022-E1025 PolarHBondContact NH1-OE2 3.38Å; R1022-E1025 WeakPolarHBondContact O-CB 3.34Å; R1022-E1025 PolarHBondContact O-N 3.41Å; R1022-E1025 VanDerWaalsContact O-N 3.12Å; L1023-E1025 VanDerWaalsContact C-N 3.29Å
1026S84.5Confident91.4Very high35 Ų3540.8 Ų40.825%0.24519%0.193CC..  trans-131.869-176.569.10000112.2R1022 L1023 N1024 Q1028 T1029R1022-S1026 PolarHBondContact O-N 2.97Å; L1023-S1026 CarbonylContact O-C 3.54Å; L1023-S1026 PolarHBondContact O-N 3.43Å; N1024-S1026 VanDerWaalsContact C-N 3.3Å; S1026-Q1028 PolarHBondContact O-N 3.48Å; S1026-Q1028 VanDerWaalsContact O-N 3.14Å; S1026-T1029 WeakPolarHBondContact O-CB 3.04Å; S1026-T1029 PolarHBondContact O-N 2.83Å; S1026-T1029 PolarHBondContact OG-OG1 3.04Å
1027P82.9Confident91.5Very high41 Ų4140.8 Ų40.827%0.26619%0.193SC..Hα-helixtrans-58.5-31.2-176.722.4-33.3000113.2T1029 K1030 L1031P1027-T1029 PolarHBondContact O-N 2.96Å; P1027-K1030 WeakPolarHBondContact O-CB 3.44Å; P1027-K1030 PolarHBondContact O-N 2.92Å; P1027-K1030 VanDerWaalsContact O-N 3.11Å; P1027-L1031 PolarHBondContact O-N 3.47Å; P1027-L1031 VanDerWaalsContact O-N 3.17Å
1028Q85.9Confident91.6Very high38 Ų3837.1 Ų37.118%0.17818%0.179CC..Hα-helixtrans-57.9-35.8175.9-66.5-57.3-38.700113S1026 K1030 L1031 K1032S1026-Q1028 PolarHBondContact O-N 3.48Å; S1026-Q1028 VanDerWaalsContact O-N 3.14Å; Q1028-K1030 VanDerWaalsContact C-N 3.34Å; Q1028-K1030 PolarHBondContact O-N 3.17Å; Q1028-L1031 PolarHBondContact O-N 3.16Å; Q1028-K1032 WeakPolarHBondContact O-CB 3.35Å; Q1028-K1032 WeakPolarHBondContact O-CD 3.18Å; Q1028-K1032 WeakPolarHBondContact O-CG 3.38Å; Q1028-K1032 PolarHBondContact O-N 2.95Å
1029T90.7Very high91.6Very high11 Ų1138.2 Ų38.27%0.06719%0.185CC..Hα-helixtrans-62.5-42.5177.2-57.10000111.3I981 L991 L1023 S1026 P1027 L1033I981-T1029 HydrophobicContact CG1-CG2 4.08Å; L991-T1029 HydrophobicContact CD2-CG2 3.82Å; L1023-T1029 HydrophobicContact CD2-CG2 3.57Å; S1026-T1029 WeakPolarHBondContact O-CB 3.04Å; S1026-T1029 PolarHBondContact O-N 2.83Å; S1026-T1029 PolarHBondContact OG-OG1 3.04Å; P1027-T1029 PolarHBondContact O-N 2.96Å; T1029-L1033 HydrophobicContact CG2-CD1 4.19Å; T1029-L1033 WeakPolarHBondContact O-CG 3.3Å; T1029-L1033 PolarHBondContact O-N 2.86Å; T1029-L1033 VanDerWaalsContact O-N 3.09Å
1030K91.8Very high91.6Very high9 Ų938.6 Ų38.64%0.03919%0.189CC..Hα-helixtrans-62.7-49.2177.4-61.5-176.1-73.3-179.30110.7F1016 L1023 N1024 P1027 Q1028 K1032 L1033 A1034 M1129 A1130F1016-K1030 HydrophobicContact CD1-CG 4.38Å; F1016-K1030 HydrophobicContact CE1-CB 4.17Å; F1016-K1030 HydrophobicContact CE1-CG 4.25Å; F1016-K1030 HydrophobicContact CE2-CB 4.19Å; F1016-K1030 HydrophobicContact CZ-CB 3.9Å; F1016-K1030 HydrophobicContact CZ-CG 4.41Å; F1016-K1030 VanDerWaalsContact CZ-O 3.29Å; F1016-K1030 WeakPolarHBondContact CZ-O 3.49Å; L1023-K1030 HydrophobicContact CB-CD 3.85Å; L1023-K1030 HydrophobicContact CB-CG 3.76Å; L1023-K1030 HydrophobicContact CD1-CG 4.22Å; L1023-K1030 HydrophobicContact CD2-CG 4.15Å; L1023-K1030 HydrophobicContact CG-CG 4.27Å; L1023-K1030 WeakPolarHBondContact O-CE 3.4Å; N1024-K1030 PolarHBondContact OD1-NZ 3.34Å; P1027-K1030 WeakPolarHBondContact O-CB 3.44Å; P1027-K1030 PolarHBondContact O-N 2.92Å; P1027-K1030 VanDerWaalsContact O-N 3.11Å; Q1028-K1030 VanDerWaalsContact C-N 3.34Å; Q1028-K1030 PolarHBondContact O-N 3.17Å; K1030-K1032 PolarHBondContact O-N 3.17Å; K1030-L1033 PolarHBondContact O-N 2.98Å; K1030-A1034 VanDerWaalsContact O-CB 3.28Å; K1030-A1034 WeakPolarHBondContact O-CB 3.49Å; K1030-A1034 PolarHBondContact O-N 2.95Å; K1030-M1129 VanDerWaalsContact CD-O 3.25Å; K1030-M1129 WeakPolarHBondContact CD-O 3.41Å; K1030-M1129 VanDerWaalsContact CE-O 3.27Å; K1030-M1129 WeakPolarHBondContact CE-O 3.48Å; K1030-M1129 PolarHBondContact NZ-O 3.19Å; K1030-A1130 HydrophobicContact CB-CB 4.38Å
1031L92.4Very high91.6Very high3 Ų335.6 Ų35.62%0.01618%0.175CC..Hα-helixtrans-59.1-47.4179.7-68.2167.2000111.6P1027 Q1028 A1034 Y1035 L1055 Y1058 L1062 A1130 P1132P1027-L1031 PolarHBondContact O-N 3.47Å; P1027-L1031 VanDerWaalsContact O-N 3.17Å; Q1028-L1031 PolarHBondContact O-N 3.16Å; L1031-A1034 PolarHBondContact O-N 3.4Å; L1031-Y1035 WeakPolarHBondContact O-CB 3.35Å; L1031-Y1035 PolarHBondContact O-N 2.83Å; L1031-L1055 HydrophobicContact CD2-CD1 3.66Å; L1031-Y1058 HydrophobicContact CD1-CD1 4.5Å; L1031-Y1058 HydrophobicContact CD1-CE1 3.76Å; L1031-Y1058 HydrophobicContact CD2-CD1 4.41Å; L1031-Y1058 HydrophobicContact CD2-CE1 4.39Å; L1031-L1062 HydrophobicContact CD1-CD1 3.82Å; L1031-A1130 VanDerWaalsContact CD2-O 3.24Å; L1031-A1130 WeakPolarHBondContact CD2-O 3.42Å; L1031-A1130 WeakPolarHBondContact CG-O 3.41Å; L1031-P1132 HydrophobicContact CD1-CB 4.42Å
1032K92.1Very high91.6Very high42 Ų4232.6 Ų32.618%0.18316%0.164CC..Hα-helixtrans-62-45.6-179.9-72.8164.3174.1-162.20112.6L991 D992 Q1028 K1030 A1036L991-K1032 HydrophobicContact CD2-CB 4.09Å; L991-K1032 HydrophobicContact CD2-CD 3.96Å; D992-K1032 WeakPolarHBondContact OD1-CD 3.25Å; D992-K1032 WeakPolarHBondContact OD1-CE 3.38Å; D992-K1032 IonicContact OD1-NZ 3.8Å; D992-K1032 PolarHBondContact OD1-NZ 3.31Å; D992-K1032 IonicContact OD2-NZ 3.19Å; D992-K1032 PolarHBondContact OD2-NZ 3.39Å; Q1028-K1032 WeakPolarHBondContact O-CB 3.35Å; Q1028-K1032 WeakPolarHBondContact O-CD 3.18Å; Q1028-K1032 WeakPolarHBondContact O-CG 3.38Å; Q1028-K1032 PolarHBondContact O-N 2.95Å; K1030-K1032 PolarHBondContact O-N 3.17Å; K1032-A1036 WeakPolarHBondContact O-CB 3.34Å; K1032-A1036 PolarHBondContact O-N 3.32Å
1033L95.1Very high91.1Very high5 Ų537.8 Ų37.83%0.02620%0.195CC..Hα-helixtrans-66.8-46.9177.7-71.4175.5000111.8F977 I981 L991 V995 L1012 F1016 T1029 K1030 Y1035 A1036 V1037F977-L1033 HydrophobicContact CD1-CD2 4.01Å; F977-L1033 HydrophobicContact CD2-CD2 4.45Å; F977-L1033 HydrophobicContact CE1-CD2 4.32Å; F977-L1033 HydrophobicContact CG-CD2 4.09Å; I981-L1033 HydrophobicContact CD1-CD1 4.09Å; L991-L1033 HydrophobicContact CD1-CD2 4.09Å; V995-L1033 HydrophobicContact CG2-CD2 4.23Å; L1012-L1033 HydrophobicContact CD2-CB 4.14Å; F1016-L1033 HydrophobicContact CE1-CB 4.33Å; F1016-L1033 HydrophobicContact CE1-CD1 4.39Å; F1016-L1033 HydrophobicContact CZ-CB 4.42Å; T1029-L1033 HydrophobicContact CG2-CD1 4.19Å; T1029-L1033 WeakPolarHBondContact O-CG 3.3Å; T1029-L1033 PolarHBondContact O-N 2.86Å; T1029-L1033 VanDerWaalsContact O-N 3.09Å; K1030-L1033 PolarHBondContact O-N 2.98Å; L1033-Y1035 VanDerWaalsContact C-N 3.35Å; L1033-Y1035 PolarHBondContact O-N 3.39Å; L1033-A1036 PolarHBondContact O-N 2.83Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.43Å; L1033-V1037 PolarHBondContact O-N 2.87Å
1034A95.9Very high90.6Very high1 Ų140.8 Ų40.81%0.00821%0.21CC..Hα-helixtrans-61.9-44178.800000111.6F1016 K1030 L1031 H1038 L1051 A1130F1016-A1034 HydrophobicContact CE2-CB 4.26Å; F1016-A1034 HydrophobicContact CZ-CB 4.13Å; K1030-A1034 VanDerWaalsContact O-CB 3.28Å; K1030-A1034 WeakPolarHBondContact O-CB 3.49Å; K1030-A1034 PolarHBondContact O-N 2.95Å; L1031-A1034 PolarHBondContact O-N 3.4Å; A1034-H1038 WeakPolarHBondContact O-CB 3.22Å; A1034-H1038 PolarHBondContact O-N 3.16Å; A1034-L1051 HydrophobicContact CB-CD1 4.28Å; A1034-L1051 HydrophobicContact CB-CD2 4.29Å; A1034-A1130 HydrophobicContact CB-CB 4.43Å
1035Y95.8Very high90.4Very high47 Ų4740.4 Ų40.418%0.18420%0.204CC..Hα-helixtrans-66.5-42.6178.8-174.8-111.9000112.3L1031 L1033 H1038 M1039 I1056 C1059 S1060 V1063L1031-Y1035 WeakPolarHBondContact O-CB 3.35Å; L1031-Y1035 PolarHBondContact O-N 2.83Å; L1033-Y1035 VanDerWaalsContact C-N 3.35Å; L1033-Y1035 PolarHBondContact O-N 3.39Å; Y1035-H1038 WeakPolarHBondContact O-CB 3.43Å; Y1035-H1038 PolarHBondContact O-N 3.46Å; Y1035-M1039 HydrophobicContact CD1-CG 4.24Å; Y1035-M1039 HydrophobicContact CD2-CE 4.09Å; Y1035-M1039 HydrophobicContact CD2-CG 4.19Å; Y1035-M1039 HydrophobicContact CE1-CG 3.86Å; Y1035-M1039 HydrophobicContact CE2-CE 3.39Å; Y1035-M1039 HydrophobicContact CE2-CG 3.83Å; Y1035-M1039 HydrophobicContact CE2-SD 4.28Å; Y1035-M1039 HydrophobicContact CG-CG 4.39Å; Y1035-M1039 WeakPolarHBondContact O-CB 3.3Å; Y1035-M1039 WeakPolarHBondContact O-CG 3.25Å; Y1035-M1039 PolarHBondContact O-N 3.48Å; Y1035-I1056 HydrophobicContact CE2-CG2 4.33Å; Y1035-C1059 HydrophobicContact CD1-CB 4.29Å; Y1035-C1059 HydrophobicContact CD2-CB 3.21Å; Y1035-C1059 HydrophobicContact CE2-CB 3.68Å; Y1035-C1059 HydrophobicContact CG-CB 3.56Å; Y1035-S1060 PolarHBondContact OH-OG 3.36Å; Y1035-S1060 VanDerWaalsContact OH-OG 3.05Å; Y1035-V1063 HydrophobicContact CD1-CG2 4.43Å; Y1035-V1063 HydrophobicContact CE1-CG2 4.12Å
1036A95.9Very high90.2Very high16 Ų1638.3 Ų38.313%0.13220%0.197CC..Hα-helixtrans-64.6-43.5178.100000112.9V995 K1032 L1033 H1038 M1039 A1040V995-A1036 HydrophobicContact CG1-CB 3.16Å; K1032-A1036 WeakPolarHBondContact O-CB 3.34Å; K1032-A1036 PolarHBondContact O-N 3.32Å; L1033-A1036 PolarHBondContact O-N 2.83Å; A1036-H1038 VanDerWaalsContact C-N 3.31Å; A1036-M1039 PolarHBondContact O-N 3.41Å; A1036-A1040 WeakPolarHBondContact O-CB 3.35Å; A1036-A1040 PolarHBondContact O-N 2.9Å
1037V96.9Very high90.3Very high4 Ų444.4 Ų44.42%0.02422%0.222CC..Hα-helixtrans-63.7-40.7174.1171.60000110.3Y1002 P1008 L1012 L1033 F1041 W1049 L1050Y1002-V1037 HydrophobicContact CD1-CG2 3.94Å; Y1002-V1037 HydrophobicContact CE1-CG2 4.49Å; Y1002-V1037 HydrophobicContact CG-CG2 4.13Å; P1008-V1037 HydrophobicContact CB-CG1 3.77Å; L1012-V1037 HydrophobicContact CD1-CB 3.88Å; L1012-V1037 HydrophobicContact CD1-CG1 3.82Å; L1012-V1037 HydrophobicContact CD1-CG2 4.2Å; L1012-V1037 HydrophobicContact CD2-CG2 4.04Å; L1012-V1037 HydrophobicContact CG-CB 4.39Å; L1012-V1037 HydrophobicContact CG-CG1 4.39Å; L1012-V1037 HydrophobicContact CG-CG2 4.16Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.43Å; L1033-V1037 PolarHBondContact O-N 2.87Å; V1037-F1041 WeakPolarHBondContact O-CD2 3.49Å; V1037-W1049 HydrophobicContact CG1-CH2 4.29Å; V1037-L1050 HydrophobicContact CG1-CD2 4.13Å
1038H96.1Very high90.5Very high7 Ų746.7 Ų46.73%0.03223%0.229CC..Hα-helixtrans-57.4-51.8174.1-175.2103.5000111.6A1034 Y1035 A1036 A1040 F1041 E1047 W1049 L1050 L1051 I1056A1034-H1038 WeakPolarHBondContact O-CB 3.22Å; A1034-H1038 PolarHBondContact O-N 3.16Å; Y1035-H1038 WeakPolarHBondContact O-CB 3.43Å; Y1035-H1038 PolarHBondContact O-N 3.46Å; A1036-H1038 VanDerWaalsContact C-N 3.31Å; H1038-A1040 VanDerWaalsContact C-N 3.33Å; H1038-A1040 PolarHBondContact O-N 3.12Å; H1038-F1041 PolarHBondContact O-N 3.25Å; H1038-F1041 VanDerWaalsContact O-N 3.13Å; H1038-E1047 PolarHBondContact CE1-O 3.37Å; H1038-E1047 PolarHBondContact NE2-O 2.98Å; H1038-W1049 AromaticContact CE1-CD1 3.86Å; H1038-W1049 AromaticContact CE1-NE1 3.88Å; H1038-W1049 AromaticContact CG-NE1 3.99Å; H1038-W1049 AromaticContact ND1-NE1 3.83Å; H1038-W1049 PolarHBondContact O-NE1 3.34Å; H1038-L1050 HydrophobicContact CB-CD2 4.2Å; H1038-L1051 HydrophobicContact CB-CD1 3.92Å; H1038-L1051 HydrophobicContact CB-CG 4.21Å; H1038-L1051 PolarHBondContact ND1-N 2.97Å; H1038-I1056 WeakPolarHBondContact CE1-CD1 3.42Å; H1038-I1056 WeakPolarHBondContact NE2-CD1 3.34Å
1039M94.7Very high90.7Very high43 Ų4345.6 Ų45.621%0.21222%0.223CC..Hα-helixtrans-72-23.4-174.8-69.5-57.8143.600113.7Y1035 A1036 F1041 Q1042 I1056Y1035-M1039 HydrophobicContact CD1-CG 4.24Å; Y1035-M1039 HydrophobicContact CD2-CE 4.09Å; Y1035-M1039 HydrophobicContact CD2-CG 4.19Å; Y1035-M1039 HydrophobicContact CE1-CG 3.86Å; Y1035-M1039 HydrophobicContact CE2-CE 3.39Å; Y1035-M1039 HydrophobicContact CE2-CG 3.83Å; Y1035-M1039 HydrophobicContact CE2-SD 4.28Å; Y1035-M1039 HydrophobicContact CG-CG 4.39Å; Y1035-M1039 WeakPolarHBondContact O-CB 3.3Å; Y1035-M1039 WeakPolarHBondContact O-CG 3.25Å; Y1035-M1039 PolarHBondContact O-N 3.48Å; A1036-M1039 PolarHBondContact O-N 3.41Å; M1039-F1041 PolarHBondContact O-N 3.18Å; M1039-F1041 VanDerWaalsContact O-N 3.1Å; M1039-Q1042 VanDerWaalsContact O-CB 3.23Å; M1039-Q1042 WeakPolarHBondContact O-CB 3.34Å; M1039-Q1042 PolarHBondContact O-N 2.9Å; M1039-Q1042 HydrophobicContact SD-CB 4.31Å; M1039-Q1042 HydrophobicContact SD-CG 4.37Å; M1039-I1056 HydrophobicContact CE-CG2 3.79Å
1040A94.7Very high90.8Very high11 Ų1145 Ų459%0.09122%0.22CC..Hα-helixtrans-57.5-25.1169.900000112.3R1003 A1036 H1038 I1044R1003-A1040 HydrophobicContact CB-CB 4.25Å; R1003-A1040 WeakPolarHBondContact CB-O 3.42Å; A1036-A1040 WeakPolarHBondContact O-CB 3.35Å; A1036-A1040 PolarHBondContact O-N 2.9Å; H1038-A1040 VanDerWaalsContact C-N 3.33Å; H1038-A1040 PolarHBondContact O-N 3.12Å; A1040-I1044 WeakPolarHBondContact O-CD1 3.34Å
1041F92.2Very high91Very high6 Ų644.6 Ų44.63%0.02622%0.218CC..THydrogen-bonded Turntrans-103.512.7177.2-67.6-91.4000114Y1002 P1008 V1037 H1038 M1039 N1043 I1044 R1045 W1049Y1002-F1041 WeakPolarHBondContact O-CE2 3.43Å; Y1002-F1041 WeakPolarHBondContact O-CZ 3.41Å; P1008-F1041 HydrophobicContact CB-CE2 4.26Å; P1008-F1041 HydrophobicContact CG-CE2 3.98Å; P1008-F1041 HydrophobicContact CG-CZ 4.02Å; V1037-F1041 WeakPolarHBondContact O-CD2 3.49Å; H1038-F1041 PolarHBondContact O-N 3.25Å; H1038-F1041 VanDerWaalsContact O-N 3.13Å; M1039-F1041 PolarHBondContact O-N 3.18Å; M1039-F1041 VanDerWaalsContact O-N 3.1Å; F1041-N1043 PolarHBondContact O-N 3.31Å; F1041-I1044 HydrophobicContact CD1-CG2 4.48Å; F1041-I1044 WeakPolarHBondContact O-CB 3.46Å; F1041-I1044 PolarHBondContact O-N 2.97Å; F1041-I1044 VanDerWaalsContact O-N 3.1Å; F1041-R1045 HydrophobicContact CB-CB 4.29Å; F1041-R1045 HydrophobicContact CB-CG 4.1Å; F1041-R1045 HydrophobicContact CD1-CG 4.01Å; F1041-R1045 HydrophobicContact CG-CG 4.4Å; F1041-R1045 PolarHBondContact O-N 2.93Å; F1041-R1045 VanDerWaalsContact O-N 3.1Å; F1041-W1049 HydrophobicContact CB-CZ2 3.74Å; F1041-W1049 AromaticContact CD2-CH2 3.7Å; F1041-W1049 HydrophobicContact CD2-CH2 3.7Å; F1041-W1049 AromaticContact CD2-CZ2 3.37Å; F1041-W1049 HydrophobicContact CD2-CZ2 3.37Å; F1041-W1049 HydrophobicContact CE2-CH2 4.04Å; F1041-W1049 HydrophobicContact CE2-CZ2 4.18Å; F1041-W1049 HydrophobicContact CG-CH2 4.25Å; F1041-W1049 AromaticContact CG-CZ2 3.76Å; F1041-W1049 HydrophobicContact CG-CZ2 3.76Å
1042Q87.6Confident91.1Very high115 Ų11544.9 Ų44.954%0.53722%0.22SC..THydrogen-bonded Turntrans-58137.6176.7-168.8-177.619.700110.9M1039 I1044M1039-Q1042 VanDerWaalsContact O-CB 3.23Å; M1039-Q1042 WeakPolarHBondContact O-CB 3.34Å; M1039-Q1042 PolarHBondContact O-N 2.9Å; M1039-Q1042 HydrophobicContact SD-CB 4.31Å; M1039-Q1042 HydrophobicContact SD-CG 4.37Å; Q1042-I1044 WeakPolarHBondContact O-CD1 3.48Å; Q1042-I1044 PolarHBondContact O-N 3.48Å; Q1042-I1044 VanDerWaalsContact O-N 3.08Å
1043N81.5Confident91.1Very high156 Ų15646.3 Ų46.383%0.83423%0.232SC*.THydrogen-bonded Turntrans61.77.2-176.1-51-42.2000115.3F1041F1041-N1043 PolarHBondContact O-N 3.31Å
1044I81.6Confident91Very high62 Ų6249.2 Ų49.232%0.31825%0.248SC..THydrogen-bonded Turntrans-110.7-49178.8-60141.6000109.6P914 A1040 F1041 Q1042P914-I1044 HydrophobicContact CB-CG2 4.23Å; P914-I1044 HydrophobicContact CG-CB 4.21Å; P914-I1044 HydrophobicContact CG-CD1 3.95Å; P914-I1044 HydrophobicContact CG-CG1 3.83Å; P914-I1044 HydrophobicContact CG-CG2 3.35Å; A1040-I1044 WeakPolarHBondContact O-CD1 3.34Å; F1041-I1044 HydrophobicContact CD1-CG2 4.48Å; F1041-I1044 WeakPolarHBondContact O-CB 3.46Å; F1041-I1044 PolarHBondContact O-N 2.97Å; F1041-I1044 VanDerWaalsContact O-N 3.1Å; Q1042-I1044 WeakPolarHBondContact O-CD1 3.48Å; Q1042-I1044 PolarHBondContact O-N 3.48Å; Q1042-I1044 VanDerWaalsContact O-N 3.08Å
1045R84.1Confident90.9Very high58 Ų5849.2 Ų49.222%0.21925%0.248CC..SBendtrans-106.6167177-65.2-174.3173.2-175.7-0.5110.3F1041 W1049F1041-R1045 HydrophobicContact CB-CB 4.29Å; F1041-R1045 HydrophobicContact CB-CG 4.1Å; F1041-R1045 HydrophobicContact CD1-CG 4.01Å; F1041-R1045 HydrophobicContact CG-CG 4.4Å; F1041-R1045 PolarHBondContact O-N 2.93Å; F1041-R1045 VanDerWaalsContact O-N 3.1Å; R1045-W1049 HydrophobicContact CB-CB 3.77Å; R1045-W1049 HydrophobicContact CB-CD2 4.23Å; R1045-W1049 HydrophobicContact CB-CG 3.62Å; R1045-W1049 HydrophobicContact CG-CG 4.39Å
1046D82.8Confident90.8Very high94 Ų9448.3 Ų48.350%0.50325%0.246SC..  trans-55.4146.8175.2-58.5-44.7000111.3Q1048 W1049 C1103D1046-Q1048 PolarHBondContact O-N 3.15Å; D1046-W1049 VanDerWaalsContact O-CB 3.27Å; D1046-W1049 WeakPolarHBondContact O-CB 3.39Å; D1046-W1049 VanDerWaalsContact O-CD1 3.24Å; D1046-W1049 PolarHBondContact O-N 2.85Å; D1046-C1103 PolarHBondContact OD2-SG 3.27Å
1047E85.5Confident90.6Very high164 Ų16450.3 Ų50.377%0.76626%0.262SS*.THydrogen-bonded Turntrans-55.7-30.2-175-66.1-176.817400113.4H1038 I1056H1038-E1047 PolarHBondContact CE1-O 3.37Å; H1038-E1047 PolarHBondContact NE2-O 2.98Å; E1047-I1056 WeakPolarHBondContact O-CD1 3.41Å
1048Q87.4Confident90.4Very high88 Ų8850.9 Ų50.941%0.41126%0.264SS..THydrogen-bonded Turntrans-108.832.9177.7-61.1-177-19.400112.2D1046 L1050 L1051 T1053 R1090D1046-Q1048 PolarHBondContact O-N 3.15Å; Q1048-L1050 VanDerWaalsContact C-N 3.3Å; Q1048-L1050 PolarHBondContact O-N 3.44Å; Q1048-L1051 WeakPolarHBondContact CA-O 3.34Å; Q1048-T1053 PolarHBondContact NE2-OG1 3.24Å; Q1048-R1090 PolarHBondContact O-NH2 3.42Å
1049W89.4Confident90.1Very high15 Ų1550.7 Ų50.76%0.05726%0.264CS..SBendtrans-64.6-35.2-177.876.6-85.1000112.5P1008 I1009 V1037 H1038 F1041 R1045 D1046 H1119P1008-W1049 HydrophobicContact CG-CH2 4.45Å; I1009-W1049 HydrophobicContact CD1-CE3 4.39Å; I1009-W1049 HydrophobicContact CD1-CZ3 3.88Å; I1009-W1049 HydrophobicContact CG1-CZ3 3.87Å; V1037-W1049 HydrophobicContact CG1-CH2 4.29Å; H1038-W1049 AromaticContact CE1-CD1 3.86Å; H1038-W1049 AromaticContact CE1-NE1 3.88Å; H1038-W1049 AromaticContact CG-NE1 3.99Å; H1038-W1049 AromaticContact ND1-NE1 3.83Å; H1038-W1049 PolarHBondContact O-NE1 3.34Å; F1041-W1049 HydrophobicContact CB-CZ2 3.74Å; F1041-W1049 AromaticContact CD2-CH2 3.7Å; F1041-W1049 HydrophobicContact CD2-CH2 3.7Å; F1041-W1049 AromaticContact CD2-CZ2 3.37Å; F1041-W1049 HydrophobicContact CD2-CZ2 3.37Å; F1041-W1049 HydrophobicContact CE2-CH2 4.04Å; F1041-W1049 HydrophobicContact CE2-CZ2 4.18Å; F1041-W1049 HydrophobicContact CG-CH2 4.25Å; F1041-W1049 AromaticContact CG-CZ2 3.76Å; F1041-W1049 HydrophobicContact CG-CZ2 3.76Å; R1045-W1049 HydrophobicContact CB-CB 3.77Å; R1045-W1049 HydrophobicContact CB-CD2 4.23Å; R1045-W1049 HydrophobicContact CB-CG 3.62Å; R1045-W1049 HydrophobicContact CG-CG 4.39Å; D1046-W1049 VanDerWaalsContact O-CB 3.27Å; D1046-W1049 WeakPolarHBondContact O-CB 3.39Å; D1046-W1049 VanDerWaalsContact O-CD1 3.24Å; D1046-W1049 PolarHBondContact O-N 2.85Å; W1049-H1119 PolarHBondContact O-NE2 2.8Å
1050L93.8Very high89.8Confident0 Ų050.3 Ų50.30%027%0.265CS..SBendtrans-115.8-63.8179.1177.561.3000111.3I1009 L1012 V1037 H1038 Q1048 R1090 S1123 I1126I1009-L1050 HydrophobicContact CG1-CD1 4.28Å; L1012-L1050 HydrophobicContact CD1-CD2 3.77Å; V1037-L1050 HydrophobicContact CG1-CD2 4.13Å; H1038-L1050 HydrophobicContact CB-CD2 4.2Å; Q1048-L1050 VanDerWaalsContact C-N 3.3Å; Q1048-L1050 PolarHBondContact O-N 3.44Å; L1050-R1090 PolarHBondContact O-NH2 3.26Å; L1050-S1123 WeakPolarHBondContact O-CB 3.44Å; L1050-I1126 HydrophobicContact CD1-CD1 4.16Å
1051L95.5Very high89.3Confident0 Ų052 Ų520%028%0.276CS..SBendtrans-102.2153-173.5-53.2179.2000110.6A1034 H1038 Q1048 L1055 I1056 E1127A1034-L1051 HydrophobicContact CB-CD1 4.28Å; A1034-L1051 HydrophobicContact CB-CD2 4.29Å; H1038-L1051 HydrophobicContact CB-CD1 3.92Å; H1038-L1051 HydrophobicContact CB-CG 4.21Å; H1038-L1051 PolarHBondContact ND1-N 2.97Å; Q1048-L1051 WeakPolarHBondContact CA-O 3.34Å; L1051-L1055 HydrophobicContact CB-CD2 4.32Å; L1051-L1055 HydrophobicContact CD1-CD2 4.27Å; L1051-L1055 HydrophobicContact CD2-CD2 3.87Å; L1051-L1055 HydrophobicContact CG-CD2 4.36Å; L1051-I1056 HydrophobicContact CB-CD1 4.34Å; L1051-I1056 HydrophobicContact CB-CG1 3.87Å; L1051-E1127 HydrophobicContact CD2-CB 4.4Å
1052S94.5Very high88.8Confident9 Ų952 Ų526%0.06328%0.277CS..  trans-71.5158.9171.6740000112.4D1054 L1055 I1056 E1127S1052-D1054 VanDerWaalsContact C-N 3.27Å; S1052-D1054 PolarHBondContact O-N 3.08Å; S1052-L1055 PolarHBondContact O-N 3.02Å; S1052-L1055 PolarHBondContact OG-N 3.43Å; S1052-I1056 WeakPolarHBondContact O-CD1 3.21Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.46Å; S1052-I1056 PolarHBondContact O-N 2.93Å; S1052-E1127 WeakPolarHBondContact CB-OE1 3.26Å; S1052-E1127 PolarHBondContact N-OE1 3.16Å; S1052-E1127 PolarHBondContact N-OE2 3.44Å; S1052-E1127 PolarHBondContact OG-OE1 3.26Å
1053T92.7Very high88.2Confident71 Ų7150.1 Ų50.144%0.43627%0.273SS..Hα-helixtrans-57.4-39.2176.8-58.20000112.6Q1048 I1056 A1057Q1048-T1053 PolarHBondContact NE2-OG1 3.24Å; T1053-I1056 PolarHBondContact O-N 2.84Å; T1053-A1057 WeakPolarHBondContact O-CB 3.25Å; T1053-A1057 PolarHBondContact O-N 3.07Å
1054D93.4Very high87.8Confident67 Ų6748.5 Ų48.536%0.35826%0.264SS..Hα-helixtrans-62.6-45.5179.5-60.5-76.5000111.1S1052 A1057 Y1058 W1077 Y1083S1052-D1054 VanDerWaalsContact C-N 3.27Å; S1052-D1054 PolarHBondContact O-N 3.08Å; D1054-A1057 PolarHBondContact O-N 2.95Å; D1054-Y1058 PolarHBondContact O-N 3.28Å; D1054-W1077 HydrophobicContact CB-CZ2 4.19Å; D1054-Y1083 HydrophobicContact CB-CD2 3.88Å; D1054-Y1083 HydrophobicContact CB-CE2 4.02Å
1055L93.6Very high87.2Confident1 Ų146.3 Ų46.31%0.00526%0.255CS..Hα-helixtrans-70.4-37.4178-179.762000112.2L1031 L1051 S1052 Y1058 C1059 W1077 E1127L1031-L1055 HydrophobicContact CD2-CD1 3.66Å; L1051-L1055 HydrophobicContact CB-CD2 4.32Å; L1051-L1055 HydrophobicContact CD1-CD2 4.27Å; L1051-L1055 HydrophobicContact CD2-CD2 3.87Å; L1051-L1055 HydrophobicContact CG-CD2 4.36Å; S1052-L1055 PolarHBondContact O-N 3.02Å; S1052-L1055 PolarHBondContact OG-N 3.43Å; L1055-Y1058 HydrophobicContact CD1-CD1 4.25Å; L1055-Y1058 PolarHBondContact O-N 3.43Å; L1055-C1059 PolarHBondContact O-N 3.28Å; L1055-C1059 PolarHBondContact O-SG 2.74Å; L1055-W1077 HydrophobicContact CB-CH2 4.48Å; L1055-W1077 HydrophobicContact CB-CZ3 4.48Å; L1055-W1077 HydrophobicContact CD1-CZ3 3.78Å; L1055-E1127 HydrophobicContact CD2-CB 4.3Å; L1055-E1127 HydrophobicContact CD2-CG 3.7Å
1056I93.9Very high86.1Confident27 Ų2747.6 Ų47.614%0.13827%0.265CS..Hα-helixtrans-60.2-49.5174.7-68.2162.8000110Y1035 H1038 M1039 E1047 L1051 S1052 T1053 Y1058 C1059 S1060Y1035-I1056 HydrophobicContact CE2-CG2 4.33Å; H1038-I1056 WeakPolarHBondContact CE1-CD1 3.42Å; H1038-I1056 WeakPolarHBondContact NE2-CD1 3.34Å; M1039-I1056 HydrophobicContact CE-CG2 3.79Å; E1047-I1056 WeakPolarHBondContact O-CD1 3.41Å; L1051-I1056 HydrophobicContact CB-CD1 4.34Å; L1051-I1056 HydrophobicContact CB-CG1 3.87Å; S1052-I1056 WeakPolarHBondContact O-CD1 3.21Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.46Å; S1052-I1056 PolarHBondContact O-N 2.93Å; T1053-I1056 PolarHBondContact O-N 2.84Å; I1056-Y1058 VanDerWaalsContact C-N 3.29Å; I1056-Y1058 PolarHBondContact O-N 3.1Å; I1056-C1059 PolarHBondContact O-N 3.27Å; I1056-C1059 VanDerWaalsContact O-N 3.15Å; I1056-S1060 PolarHBondContact O-N 3.35Å; I1056-S1060 PolarHBondContact O-OG 3.27Å; I1056-S1060 VanDerWaalsContact O-OG 3.14Å
1057A91.8Very high84.9Confident58 Ų5846.4 Ų46.448%0.47928%0.275SS..Hα-helixtrans-59.9-40.6178.800000111.7T1053 D1054 S1060 S1061T1053-A1057 WeakPolarHBondContact O-CB 3.25Å; T1053-A1057 PolarHBondContact O-N 3.07Å; D1054-A1057 PolarHBondContact O-N 2.95Å; A1057-S1060 PolarHBondContact O-N 3.09Å; A1057-S1061 PolarHBondContact O-N 3.47Å
1058Y91.2Very high83.5Confident16 Ų1641 Ų416%0.06326%0.256CS..Hα-helixtrans-61.4-48173.9178.6-119.8000112.1L1031 D1054 L1055 I1056 S1060 S1061 L1062 P1075 W1077 P1132L1031-Y1058 HydrophobicContact CD1-CD1 4.5Å; L1031-Y1058 HydrophobicContact CD1-CE1 3.76Å; L1031-Y1058 HydrophobicContact CD2-CD1 4.41Å; L1031-Y1058 HydrophobicContact CD2-CE1 4.39Å; D1054-Y1058 PolarHBondContact O-N 3.28Å; L1055-Y1058 HydrophobicContact CD1-CD1 4.25Å; L1055-Y1058 PolarHBondContact O-N 3.43Å; I1056-Y1058 VanDerWaalsContact C-N 3.29Å; I1056-Y1058 PolarHBondContact O-N 3.1Å; Y1058-S1060 PolarHBondContact O-N 3.12Å; Y1058-S1061 PolarHBondContact O-N 3.06Å; Y1058-S1061 PolarHBondContact O-OG 3.47Å; Y1058-L1062 HydrophobicContact CD1-CD1 3.94Å; Y1058-L1062 HydrophobicContact CE1-CD1 3.47Å; Y1058-L1062 VanDerWaalsContact CE1-CD1 3.47Å; Y1058-L1062 HydrophobicContact CE1-CG 4.27Å; Y1058-L1062 HydrophobicContact CE2-CD1 4.22Å; Y1058-L1062 HydrophobicContact CE2-CD2 4.43Å; Y1058-L1062 HydrophobicContact CE2-CG 4.12Å; Y1058-L1062 PolarHBondContact O-N 3.31Å; Y1058-P1075 HydrophobicContact CE2-CB 4.23Å; Y1058-P1075 HydrophobicContact CE2-CG 4.03Å; Y1058-P1075 WeakPolarHBondContact CE2-O 3.48Å; Y1058-P1075 PolarHBondContact OH-O 3.11Å; Y1058-W1077 HydrophobicContact CD1-CB 4.38Å; Y1058-W1077 HydrophobicContact CD1-CD2 4.48Å; Y1058-W1077 AromaticContact CD1-CE3 3.71Å; Y1058-W1077 HydrophobicContact CD1-CE3 3.71Å; Y1058-W1077 HydrophobicContact CD1-CZ3 4.42Å; Y1058-W1077 HydrophobicContact CD2-CB 3.39Å; Y1058-W1077 HydrophobicContact CD2-CE3 4.5Å; Y1058-W1077 HydrophobicContact CD2-CG 4.12Å; Y1058-W1077 HydrophobicContact CE1-CB 4.34Å; Y1058-W1077 HydrophobicContact CE1-CE3 4.25Å; Y1058-W1077 HydrophobicContact CE2-CB 3.37Å; Y1058-W1077 HydrophobicContact CE2-CG 4.49Å; Y1058-W1077 HydrophobicContact CG-CB 3.92Å; Y1058-W1077 HydrophobicContact CG-CD2 4.19Å; Y1058-W1077 AromaticContact CG-CE3 3.83Å; Y1058-W1077 HydrophobicContact CG-CE3 3.83Å; Y1058-W1077 HydrophobicContact CG-CG 4.27Å; Y1058-P1132 HydrophobicContact CE1-CB 4.22Å; Y1058-P1132 HydrophobicContact CE1-CG 3.77Å
1059C90.4Very high81.8Confident3 Ų343.5 Ų43.52%0.0228%0.279CS..Hα-helixtrans-61.8-41.2177.9-65.80000112.2Y1035 L1055 I1056 L1062 V1063Y1035-C1059 HydrophobicContact CD1-CB 4.29Å; Y1035-C1059 HydrophobicContact CD2-CB 3.21Å; Y1035-C1059 HydrophobicContact CE2-CB 3.68Å; Y1035-C1059 HydrophobicContact CG-CB 3.56Å; L1055-C1059 PolarHBondContact O-N 3.28Å; L1055-C1059 PolarHBondContact O-SG 2.74Å; I1056-C1059 PolarHBondContact O-N 3.27Å; I1056-C1059 VanDerWaalsContact O-N 3.15Å; C1059-L1062 WeakPolarHBondContact O-CB 3.04Å; C1059-L1062 PolarHBondContact O-N 3.42Å; C1059-V1063 WeakPolarHBondContact O-CG2 3.28Å; C1059-V1063 PolarHBondContact O-N 3.04Å; C1059-V1063 VanDerWaalsContact O-N 3.13Å
1060S87.7Confident80.1Confident35 Ų3547.7 Ų47.725%0.24531%0.311CS..Hα-helixtrans-60.6-45.8173.9-59.40000111.6Y1035 I1056 A1057 Y1058 L1062 V1063 D1064Y1035-S1060 PolarHBondContact OH-OG 3.36Å; Y1035-S1060 VanDerWaalsContact OH-OG 3.05Å; I1056-S1060 PolarHBondContact O-N 3.35Å; I1056-S1060 PolarHBondContact O-OG 3.27Å; I1056-S1060 VanDerWaalsContact O-OG 3.14Å; A1057-S1060 PolarHBondContact O-N 3.09Å; Y1058-S1060 PolarHBondContact O-N 3.12Å; S1060-L1062 VanDerWaalsContact C-N 3.25Å; S1060-L1062 PolarHBondContact O-N 3.31Å; S1060-V1063 PolarHBondContact O-N 2.69Å; S1060-V1063 VanDerWaalsContact O-N 3.1Å; S1060-D1064 PolarHBondContact O-N 2.89Å
1061S84.8Confident78Confident46 Ų4651.8 Ų51.832%0.32233%0.329SS..Hα-helixtrans-62.4-32177.977.60000113A1057 Y1058 A1065A1057-S1061 PolarHBondContact O-N 3.47Å; Y1058-S1061 PolarHBondContact O-N 3.06Å; Y1058-S1061 PolarHBondContact O-OG 3.47Å; S1061-A1065 WeakPolarHBondContact O-CB 3.28Å; S1061-A1065 PolarHBondContact O-N 3.44Å
1062L80.7Confident75.9Confident7 Ų760.4 Ų60.44%0.03738%0.375CS..Hα-helixtrans-66.9-42174.2-78.3169.1000111.8L1031 Y1058 C1059 S1060 M1066 P1075L1031-L1062 HydrophobicContact CD1-CD1 3.82Å; Y1058-L1062 HydrophobicContact CD1-CD1 3.94Å; Y1058-L1062 HydrophobicContact CE1-CD1 3.47Å; Y1058-L1062 VanDerWaalsContact CE1-CD1 3.47Å; Y1058-L1062 HydrophobicContact CE1-CG 4.27Å; Y1058-L1062 HydrophobicContact CE2-CD1 4.22Å; Y1058-L1062 HydrophobicContact CE2-CD2 4.43Å; Y1058-L1062 HydrophobicContact CE2-CG 4.12Å; Y1058-L1062 PolarHBondContact O-N 3.31Å; C1059-L1062 WeakPolarHBondContact O-CB 3.04Å; C1059-L1062 PolarHBondContact O-N 3.42Å; S1060-L1062 VanDerWaalsContact C-N 3.25Å; S1060-L1062 PolarHBondContact O-N 3.31Å; L1062-M1066 WeakPolarHBondContact O-CE 3.34Å; L1062-M1066 WeakPolarHBondContact O-CG 3.3Å; L1062-M1066 PolarHBondContact O-N 3.36Å; L1062-M1066 VanDerWaalsContact O-N 3.14Å; L1062-P1075 VanDerWaalsContact CD2-CD 3.42Å; L1062-P1075 HydrophobicContact CD2-CG 3.46Å; L1062-P1075 VanDerWaalsContact CD2-CG 3.46Å; L1062-P1075 HydrophobicContact CG-CG 3.99Å
1063V76Confident74.1Confident75 Ų7562.2 Ų62.246%0.45540%0.395SS..Hα-helixtrans-64.5-44.9177.1175.20000110.4Y1035 C1059 S1060 M1066 G1067Y1035-V1063 HydrophobicContact CD1-CG2 4.43Å; Y1035-V1063 HydrophobicContact CE1-CG2 4.12Å; C1059-V1063 WeakPolarHBondContact O-CG2 3.28Å; C1059-V1063 PolarHBondContact O-N 3.04Å; C1059-V1063 VanDerWaalsContact O-N 3.13Å; S1060-V1063 PolarHBondContact O-N 2.69Å; S1060-V1063 VanDerWaalsContact O-N 3.1Å; V1063-M1066 PolarHBondContact O-N 3.31Å; V1063-G1067 PolarHBondContact O-N 3.43Å
1064D73.6Confident72.3Confident122 Ų12262.8 Ų62.865%0.65239%0.392SS*.Hα-helixtrans-67-42.2178.9-66.7-24000112.2S1060 M1066 G1067S1060-D1064 PolarHBondContact O-N 2.89Å; D1064-M1066 VanDerWaalsContact C-N 3.33Å; D1064-M1066 PolarHBondContact O-N 3.09Å; D1064-G1067 PolarHBondContact O-N 3.48Å; D1064-G1067 VanDerWaalsContact O-N 3.15Å
1065A68.9Low70.6Confident16 Ų1661.3 Ų61.313%0.13239%0.386CS..Hα-helixtrans-64.1-36.1179.200000112.7S1061 G1067 S1068 F1071S1061-A1065 WeakPolarHBondContact O-CB 3.28Å; S1061-A1065 PolarHBondContact O-N 3.44Å; A1065-G1067 VanDerWaalsContact C-N 3.25Å; A1065-G1067 PolarHBondContact O-N 3.05Å; A1065-S1068 PolarHBondContact O-N 2.89Å; A1065-S1068 VanDerWaalsContact O-N 3.16Å; A1065-F1071 HydrophobicContact CB-CD1 4.14Å; A1065-F1071 HydrophobicContact CB-CD2 4.06Å; A1065-F1071 HydrophobicContact CB-CE1 3.88Å; A1065-F1071 HydrophobicContact CB-CE2 3.87Å; A1065-F1071 HydrophobicContact CB-CG 4.2Å; A1065-F1071 HydrophobicContact CB-CZ 3.78Å
1066M60.1Low69.5Low85 Ų8570.9 Ų70.942%0.41943%0.428SS..Hα-helixtrans-67.7-23.1175.6-76.7-173.1-71.100113.3L1062 V1063 D1064 S1068L1062-M1066 WeakPolarHBondContact O-CE 3.34Å; L1062-M1066 WeakPolarHBondContact O-CG 3.3Å; L1062-M1066 PolarHBondContact O-N 3.36Å; L1062-M1066 VanDerWaalsContact O-N 3.14Å; V1063-M1066 PolarHBondContact O-N 3.31Å; D1064-M1066 VanDerWaalsContact C-N 3.33Å; D1064-M1066 PolarHBondContact O-N 3.09Å; M1066-S1068 VanDerWaalsContact C-N 3.28Å
1067G58.4Low69Low69 Ų6972.6 Ų72.671%0.71143%0.433SS*.THydrogen-bonded Turntrans-76.5-13.5173.100000113.9V1063 D1064 A1065V1063-G1067 PolarHBondContact O-N 3.43Å; D1064-G1067 PolarHBondContact O-N 3.48Å; D1064-G1067 VanDerWaalsContact O-N 3.15Å; A1065-G1067 VanDerWaalsContact C-N 3.25Å; A1065-G1067 PolarHBondContact O-N 3.05Å
1068S55Low68.6Low52 Ų5273.9 Ų73.936%0.36444%0.444SS..  trans-92.5126.2-177-174.20000112A1065 M1066 S1070A1065-S1068 PolarHBondContact O-N 2.89Å; A1065-S1068 VanDerWaalsContact O-N 3.16Å; M1066-S1068 VanDerWaalsContact C-N 3.28Å; S1068-S1070 PolarHBondContact O-N 3.5Å; S1068-S1070 PolarHBondContact OG-OG 2.71Å
1069P51.5Low68.6Low139 Ų13974.1 Ų74.190%0.90345%0.447SS*.THydrogen-bonded Turntrans-69.3-11.8178.825.4-31.5000114.2
1070S53.9Low68.6Low103 Ų10378 Ų7872%0.7247%0.468SS*.THydrogen-bonded Turntrans-100.420.5-173.766.50000114.4S1068S1068-S1070 PolarHBondContact O-N 3.5Å; S1068-S1070 PolarHBondContact OG-OG 2.71Å
1071F49.6Very low68.8Low87 Ų8780.2 Ų80.238%0.38248%0.475SS..  trans-98101.3-168.3-159.9-109.4000113.6A1065 G1073 Q1074 P1075A1065-F1071 HydrophobicContact CB-CD1 4.14Å; A1065-F1071 HydrophobicContact CB-CD2 4.06Å; A1065-F1071 HydrophobicContact CB-CE1 3.88Å; A1065-F1071 HydrophobicContact CB-CE2 3.87Å; A1065-F1071 HydrophobicContact CB-CG 4.2Å; A1065-F1071 HydrophobicContact CB-CZ 3.78Å; F1071-G1073 WeakPolarHBondContact CE1-O 3.27Å; F1071-G1073 WeakPolarHBondContact CZ-O 3.32Å; F1071-G1073 PolarHBondContact O-N 2.63Å; F1071-Q1074 VanDerWaalsContact CE1-CA 3.49Å; F1071-P1075 HydrophobicContact CZ-CB 4.34Å; F1071-P1075 HydrophobicContact CZ-CG 4.23Å
1072D51.9Low69.1Low180 Ų18084.2 Ų84.296%0.96349%0.489SS*.  trans-88.610-173.4-118.3-2000114.8
1073G56.1Low69.8Low47 Ų4784.2 Ų84.249%0.48549%0.488SS..SBendtrans168.8129.1176.700000113.7F1071F1071-G1073 WeakPolarHBondContact CE1-O 3.27Å; F1071-G1073 WeakPolarHBondContact CZ-O 3.32Å; F1071-G1073 PolarHBondContact O-N 2.63Å
1074Q56.6Low70.7Confident83 Ų8381 Ų8139%0.38847%0.468SS..  trans-29.8130.4172.7-70.3-79.5-34.200112.4F1071 K1076F1071-Q1074 VanDerWaalsContact CE1-CA 3.49Å; Q1074-K1076 PolarHBondContact O-N 3.24Å
1075P57.9Low71.7Confident36 Ų3676.4 Ų76.423%0.23445%0.448CS..  trans-59.1113.2172.125.9-26.5000106Y1058 L1062 F1071 W1077Y1058-P1075 HydrophobicContact CE2-CB 4.23Å; Y1058-P1075 HydrophobicContact CE2-CG 4.03Å; Y1058-P1075 WeakPolarHBondContact CE2-O 3.48Å; Y1058-P1075 PolarHBondContact OH-O 3.11Å; L1062-P1075 VanDerWaalsContact CD2-CD 3.42Å; L1062-P1075 HydrophobicContact CD2-CG 3.46Å; L1062-P1075 VanDerWaalsContact CD2-CG 3.46Å; L1062-P1075 HydrophobicContact CG-CG 3.99Å; F1071-P1075 HydrophobicContact CZ-CB 4.34Å; F1071-P1075 HydrophobicContact CZ-CG 4.23Å; P1075-W1077 PolarHBondContact O-N 2.86Å
1076K70.5Confident72.9Confident202 Ų20281.1 Ų81.188%0.87847%0.465SS*.  trans-85.295.9179.2-74.3-173.4-179.3179.40107.2Q1074Q1074-K1076 PolarHBondContact O-N 3.24Å
1077W83Confident74.5Confident63 Ų6377.3 Ų77.324%0.23945%0.446CS..  trans-83.2122.1165.2178.751.9000108.7D1054 L1055 Y1058 P1075 P1079 Y1083 L1131 P1132D1054-W1077 HydrophobicContact CB-CZ2 4.19Å; L1055-W1077 HydrophobicContact CB-CH2 4.48Å; L1055-W1077 HydrophobicContact CB-CZ3 4.48Å; L1055-W1077 HydrophobicContact CD1-CZ3 3.78Å; Y1058-W1077 HydrophobicContact CD1-CB 4.38Å; Y1058-W1077 HydrophobicContact CD1-CD2 4.48Å; Y1058-W1077 AromaticContact CD1-CE3 3.71Å; Y1058-W1077 HydrophobicContact CD1-CE3 3.71Å; Y1058-W1077 HydrophobicContact CD1-CZ3 4.42Å; Y1058-W1077 HydrophobicContact CD2-CB 3.39Å; Y1058-W1077 HydrophobicContact CD2-CE3 4.5Å; Y1058-W1077 HydrophobicContact CD2-CG 4.12Å; Y1058-W1077 HydrophobicContact CE1-CB 4.34Å; Y1058-W1077 HydrophobicContact CE1-CE3 4.25Å; Y1058-W1077 HydrophobicContact CE2-CB 3.37Å; Y1058-W1077 HydrophobicContact CE2-CG 4.49Å; Y1058-W1077 HydrophobicContact CG-CB 3.92Å; Y1058-W1077 HydrophobicContact CG-CD2 4.19Å; Y1058-W1077 AromaticContact CG-CE3 3.83Å; Y1058-W1077 HydrophobicContact CG-CE3 3.83Å; Y1058-W1077 HydrophobicContact CG-CG 4.27Å; P1075-W1077 PolarHBondContact O-N 2.86Å; W1077-P1079 HydrophobicContact CD2-CG 4.06Å; W1077-P1079 HydrophobicContact CE3-CG 3.97Å; W1077-P1079 HydrophobicContact CH2-CB 4.19Å; W1077-P1079 HydrophobicContact CH2-CG 3.87Å; W1077-P1079 HydrophobicContact CZ2-CB 3.96Å; W1077-P1079 HydrophobicContact CZ2-CG 3.95Å; W1077-P1079 HydrophobicContact CZ3-CG 3.87Å; W1077-Y1083 HydrophobicContact CH2-CD1 4.39Å; W1077-Y1083 AromaticContact CH2-CD2 3.91Å; W1077-Y1083 HydrophobicContact CH2-CD2 3.91Å; W1077-Y1083 HydrophobicContact CH2-CE1 4.07Å; W1077-Y1083 AromaticContact CH2-CE2 3.57Å; W1077-Y1083 HydrophobicContact CH2-CE2 3.57Å; W1077-Y1083 HydrophobicContact CH2-CG 4.3Å; W1077-Y1083 AromaticContact CH2-CZ 3.65Å; W1077-Y1083 HydrophobicContact CZ2-CD1 4.4Å; W1077-Y1083 AromaticContact CZ2-CD2 3.71Å; W1077-Y1083 HydrophobicContact CZ2-CD2 3.71Å; W1077-Y1083 AromaticContact CZ2-CE2 3.88Å; W1077-Y1083 HydrophobicContact CZ2-CE2 3.88Å; W1077-Y1083 AromaticContact CZ2-CG 3.99Å; W1077-Y1083 HydrophobicContact CZ2-CG 3.99Å; W1077-L1131 HydrophobicContact CH2-CD2 3.82Å; W1077-L1131 HydrophobicContact CZ3-CD2 3.5Å; W1077-P1132 HydrophobicContact CE3-CG 4.1Å; W1077-P1132 WeakPolarHBondContact O-CG 3.3Å
1078A83.7Confident76.1Confident86 Ų8674.6 Ų74.671%0.71142%0.415SS*.  trans-108.7102.4172.200000107.5D1080A1078-D1080 PolarHBondContact O-N 3.13Å
1079P90.2Very high77.8Confident20 Ų2077.9 Ų77.913%0.1342%0.423CS..  trans-60.8127.6-179.3-18.328.9000110.8W1077 Y1083 F1084 L1131W1077-P1079 HydrophobicContact CD2-CG 4.06Å; W1077-P1079 HydrophobicContact CE3-CG 3.97Å; W1077-P1079 HydrophobicContact CH2-CB 4.19Å; W1077-P1079 HydrophobicContact CH2-CG 3.87Å; W1077-P1079 HydrophobicContact CZ2-CB 3.96Å; W1077-P1079 HydrophobicContact CZ2-CG 3.95Å; W1077-P1079 HydrophobicContact CZ3-CG 3.87Å; P1079-Y1083 HydrophobicContact CB-CD1 3.46Å; P1079-Y1083 VanDerWaalsContact CB-CD1 3.46Å; P1079-Y1083 HydrophobicContact CB-CE1 3.96Å; P1079-Y1083 HydrophobicContact CB-CG 4.06Å; P1079-Y1083 HydrophobicContact CG-CD1 4.49Å; P1079-F1084 HydrophobicContact CB-CE2 4Å; P1079-F1084 HydrophobicContact CB-CZ 4.13Å; P1079-L1131 HydrophobicContact CG-CD1 4.4Å; P1079-L1131 HydrophobicContact CG-CD2 4Å
1080D91.2Very high79.6Confident86 Ų8673.1 Ų73.146%0.4639%0.387SS..  trans-90.8175-179.573.5-5.7000112.1A1078 Q1082 Y1083 F1084A1078-D1080 PolarHBondContact O-N 3.13Å; D1080-Q1082 PolarHBondContact O-N 3.3Å; D1080-Q1082 WeakPolarHBondContact OD1-CB 3.44Å; D1080-Q1082 PolarHBondContact OD1-N 3.09Å; D1080-Y1083 WeakPolarHBondContact O-CB 3.27Å; D1080-Y1083 PolarHBondContact O-N 3.45Å; D1080-Y1083 VanDerWaalsContact O-N 3.17Å; D1080-Y1083 PolarHBondContact OD1-N 3.44Å; D1080-F1084 WeakPolarHBondContact O-CD2 3.36Å; D1080-F1084 PolarHBondContact O-N 3.38Å
1081M90.3Very high81.2Confident80 Ų8069.8 Ų69.839%0.39436%0.361SS..Hα-helixtrans-62.8-26.9179.9-163.659.966.700112.7F1084 A1085 A1141 N1144 L1145M1081-F1084 PolarHBondContact O-N 2.99Å; M1081-A1085 WeakPolarHBondContact O-CB 3.28Å; M1081-A1085 PolarHBondContact O-N 3.43Å; M1081-A1141 HydrophobicContact CE-CB 4.37Å; M1081-N1144 HydrophobicContact CE-CB 3.84Å; M1081-L1145 HydrophobicContact SD-CB 3.96Å; M1081-L1145 HydrophobicContact SD-CD1 4.29Å
1082Q92.4Very high82.8Confident130 Ų13069.1 Ų69.161%0.60736%0.364SS*.Hα-helixtrans-69-40.1176.3-64.4-169.81.800111.6D1080 A1085 K1086D1080-Q1082 PolarHBondContact O-N 3.3Å; D1080-Q1082 WeakPolarHBondContact OD1-CB 3.44Å; D1080-Q1082 PolarHBondContact OD1-N 3.09Å; Q1082-A1085 PolarHBondContact O-N 3.29Å; Q1082-K1086 WeakPolarHBondContact O-CG 3.45Å; Q1082-K1086 PolarHBondContact O-N 3.46Å
1083Y95.2Very high84.4Confident7 Ų763.5 Ų63.53%0.02733%0.334CS..Hα-helixtrans-58.3-50.6172.5166.8-95.8000111.4D1054 W1077 P1079 D1080 A1085 K1086 L1087 E1127 L1131D1054-Y1083 HydrophobicContact CB-CD2 3.88Å; D1054-Y1083 HydrophobicContact CB-CE2 4.02Å; W1077-Y1083 HydrophobicContact CH2-CD1 4.39Å; W1077-Y1083 AromaticContact CH2-CD2 3.91Å; W1077-Y1083 HydrophobicContact CH2-CD2 3.91Å; W1077-Y1083 HydrophobicContact CH2-CE1 4.07Å; W1077-Y1083 AromaticContact CH2-CE2 3.57Å; W1077-Y1083 HydrophobicContact CH2-CE2 3.57Å; W1077-Y1083 HydrophobicContact CH2-CG 4.3Å; W1077-Y1083 AromaticContact CH2-CZ 3.65Å; W1077-Y1083 HydrophobicContact CZ2-CD1 4.4Å; W1077-Y1083 AromaticContact CZ2-CD2 3.71Å; W1077-Y1083 HydrophobicContact CZ2-CD2 3.71Å; W1077-Y1083 AromaticContact CZ2-CE2 3.88Å; W1077-Y1083 HydrophobicContact CZ2-CE2 3.88Å; W1077-Y1083 AromaticContact CZ2-CG 3.99Å; W1077-Y1083 HydrophobicContact CZ2-CG 3.99Å; P1079-Y1083 HydrophobicContact CB-CD1 3.46Å; P1079-Y1083 VanDerWaalsContact CB-CD1 3.46Å; P1079-Y1083 HydrophobicContact CB-CE1 3.96Å; P1079-Y1083 HydrophobicContact CB-CG 4.06Å; P1079-Y1083 HydrophobicContact CG-CD1 4.49Å; D1080-Y1083 WeakPolarHBondContact O-CB 3.27Å; D1080-Y1083 PolarHBondContact O-N 3.45Å; D1080-Y1083 VanDerWaalsContact O-N 3.17Å; D1080-Y1083 PolarHBondContact OD1-N 3.44Å; Y1083-A1085 VanDerWaalsContact C-N 3.32Å; Y1083-A1085 PolarHBondContact O-N 3.14Å; Y1083-K1086 PolarHBondContact O-N 3.16Å; Y1083-L1087 HydrophobicContact CE1-CD2 4.27Å; Y1083-L1087 WeakPolarHBondContact O-CB 3.48Å; Y1083-L1087 PolarHBondContact O-N 2.89Å; Y1083-E1127 VanDerWaalsContact OH-CG 3.29Å; Y1083-E1127 WeakPolarHBondContact OH-CG 3.41Å; Y1083-E1127 PolarHBondContact OH-OE1 3.19Å; Y1083-L1131 HydrophobicContact CE1-CD1 4.04Å; Y1083-L1131 HydrophobicContact CE1-CD2 3.96Å
1084F94.9Very high85.5Confident7 Ų761.6 Ų61.63%0.03131%0.313CS..Hα-helixtrans-60.7-42.1177.8-69.3-73.3000111.7P1079 D1080 M1081 K1086 L1087 I1088 L1128 L1131 V1138 A1141 L1142 L1145P1079-F1084 HydrophobicContact CB-CE2 4Å; P1079-F1084 HydrophobicContact CB-CZ 4.13Å; D1080-F1084 WeakPolarHBondContact O-CD2 3.36Å; D1080-F1084 PolarHBondContact O-N 3.38Å; M1081-F1084 PolarHBondContact O-N 2.99Å; F1084-K1086 PolarHBondContact O-N 3.25Å; F1084-L1087 PolarHBondContact O-N 3.49Å; F1084-I1088 WeakPolarHBondContact O-CG1 3.44Å; F1084-I1088 PolarHBondContact O-N 2.91Å; F1084-L1128 HydrophobicContact CD1-CD2 4.19Å; F1084-L1128 HydrophobicContact CE1-CD2 4.04Å; F1084-L1131 HydrophobicContact CE1-CD1 3.77Å; F1084-L1131 HydrophobicContact CZ-CD1 4.03Å; F1084-V1138 HydrophobicContact CE1-CG1 4.19Å; F1084-A1141 HydrophobicContact CD1-CB 4.3Å; F1084-A1141 HydrophobicContact CD2-CB 3.59Å; F1084-A1141 HydrophobicContact CE1-CB 4.2Å; F1084-A1141 HydrophobicContact CE2-CB 3.48Å; F1084-A1141 VanDerWaalsContact CE2-CB 3.48Å; F1084-A1141 HydrophobicContact CG-CB 4.02Å; F1084-A1141 HydrophobicContact CZ-CB 3.8Å; F1084-L1142 HydrophobicContact CD1-CD2 4.27Å; F1084-L1145 HydrophobicContact CB-CD2 4.48Å
1085A93.8Very high86.3Confident27 Ų2759.6 Ų59.622%0.22330%0.303CS..Hα-helixtrans-60.6-43.3175.600000112.4M1081 Q1082 Y1083 K1089 L1145M1081-A1085 WeakPolarHBondContact O-CB 3.28Å; M1081-A1085 PolarHBondContact O-N 3.43Å; Q1082-A1085 PolarHBondContact O-N 3.29Å; Y1083-A1085 VanDerWaalsContact C-N 3.32Å; Y1083-A1085 PolarHBondContact O-N 3.14Å; A1085-K1089 WeakPolarHBondContact O-CB 3.49Å; A1085-K1089 PolarHBondContact O-N 3.21Å; A1085-L1145 HydrophobicContact CB-CD1 3.75Å
1086K93.8Very high86.9Confident115 Ų11561.4 Ų61.450%0.532%0.321SS..Hα-helixtrans-63.2-43175.2-74172.7-177174.50111.8Q1082 Y1083 F1084 K1089 R1090Q1082-K1086 WeakPolarHBondContact O-CG 3.45Å; Q1082-K1086 PolarHBondContact O-N 3.46Å; Y1083-K1086 PolarHBondContact O-N 3.16Å; F1084-K1086 PolarHBondContact O-N 3.25Å; K1086-K1089 PolarHBondContact O-N 3.44Å; K1086-R1090 PolarHBondContact O-N 2.88Å
1087L93.9Very high86.7Confident5 Ų556 Ų563%0.02630%0.299CS..Hα-helixtrans-65.2-45.4-179.3-173.864.4000111.7Y1083 F1084 R1090 L1091 V1124 E1127 L1128Y1083-L1087 HydrophobicContact CE1-CD2 4.27Å; Y1083-L1087 WeakPolarHBondContact O-CB 3.48Å; Y1083-L1087 PolarHBondContact O-N 2.89Å; F1084-L1087 PolarHBondContact O-N 3.49Å; L1087-R1090 WeakPolarHBondContact O-CB 3.46Å; L1087-R1090 PolarHBondContact O-N 3.35Å; L1087-L1091 PolarHBondContact O-N 2.91Å; L1087-V1124 HydrophobicContact CD1-CG1 4.44Å; L1087-V1124 HydrophobicContact CD1-CG2 4.03Å; L1087-V1124 HydrophobicContact CD2-CG1 4.18Å; L1087-V1124 HydrophobicContact CG-CG1 4.04Å; L1087-V1124 HydrophobicContact CG-CG2 4.38Å; L1087-E1127 HydrophobicContact CD1-CG 4.24Å; L1087-E1127 HydrophobicContact CD2-CG 4.16Å; L1087-L1128 HydrophobicContact CD2-CD2 3.71Å; L1087-L1128 HydrophobicContact CD2-CG 3.95Å
1088I92.8Very high85.6Confident12 Ų1255.7 Ų55.76%0.06231%0.305CS..Hα-helixtrans-70.6-35175.8-58.6-56.5000111.1F1084 R1090 L1091 V1092 L1142 L1145 W1149F1084-I1088 WeakPolarHBondContact O-CG1 3.44Å; F1084-I1088 PolarHBondContact O-N 2.91Å; I1088-R1090 VanDerWaalsContact C-N 3.34Å; I1088-R1090 PolarHBondContact O-N 3.19Å; I1088-L1091 WeakPolarHBondContact O-CB 3.48Å; I1088-L1091 PolarHBondContact O-N 3.41Å; I1088-L1091 VanDerWaalsContact O-N 3.14Å; I1088-V1092 HydrophobicContact CG2-CG2 4.27Å; I1088-V1092 WeakPolarHBondContact O-CG2 3.46Å; I1088-V1092 PolarHBondContact O-N 2.97Å; I1088-L1142 HydrophobicContact CD1-CD2 3.78Å; I1088-L1142 HydrophobicContact CG1-CD2 3.93Å; I1088-L1145 HydrophobicContact CB-CD2 3.97Å; I1088-L1145 HydrophobicContact CG1-CD2 3.73Å; I1088-W1149 HydrophobicContact CB-CH2 3.84Å; I1088-W1149 HydrophobicContact CB-CZ3 4.32Å; I1088-W1149 HydrophobicContact CG2-CH2 3.45Å; I1088-W1149 VanDerWaalsContact CG2-CH2 3.45Å; I1088-W1149 HydrophobicContact CG2-CZ3 3.47Å; I1088-W1149 VanDerWaalsContact CG2-CZ3 3.47Å
1089K89.8Confident84.3Confident120 Ų12056.4 Ų56.452%0.52229%0.29SS..Hα-helixtrans-59.7-43.7172.2-178.3176.2179.4-179.10111.8A1085 K1086 L1091 V1092 D1093A1085-K1089 WeakPolarHBondContact O-CB 3.49Å; A1085-K1089 PolarHBondContact O-N 3.21Å; K1086-K1089 PolarHBondContact O-N 3.44Å; K1089-L1091 VanDerWaalsContact C-N 3.26Å; K1089-L1091 PolarHBondContact O-N 2.98Å; K1089-V1092 PolarHBondContact O-N 2.84Å; K1089-V1092 VanDerWaalsContact O-N 3.14Å; K1089-D1093 WeakPolarHBondContact CE-OD2 3.36Å; K1089-D1093 WeakPolarHBondContact CG-OD2 3.13Å; K1089-D1093 WeakPolarHBondContact O-CB 3.4Å; K1089-D1093 VanDerWaalsContact O-CG 3.25Å; K1089-D1093 PolarHBondContact O-N 2.97Å
1090R89.3Confident82.7Confident39 Ų3962 Ų6215%0.14731%0.314CS..Hα-helixtrans-56.6-39.7174177.6-178.5165.9-138.7-3.4112Q1048 L1050 K1086 L1087 I1088 T1094 I1120 E1127Q1048-R1090 PolarHBondContact O-NH2 3.42Å; L1050-R1090 PolarHBondContact O-NH2 3.26Å; K1086-R1090 PolarHBondContact O-N 2.88Å; L1087-R1090 WeakPolarHBondContact O-CB 3.46Å; L1087-R1090 PolarHBondContact O-N 3.35Å; I1088-R1090 VanDerWaalsContact C-N 3.34Å; I1088-R1090 PolarHBondContact O-N 3.19Å; R1090-T1094 WeakPolarHBondContact O-CB 3.28Å; R1090-T1094 PolarHBondContact O-N 3.07Å; R1090-T1094 PolarHBondContact O-OG1 3.17Å; R1090-I1120 HydrophobicContact CG-CD1 4.01Å; R1090-I1120 VanDerWaalsContact CZ-CD1 3.49Å; R1090-E1127 IonicContact NH1-OE2 3.45Å; R1090-E1127 PolarHBondContact NH1-OE2 3.05Å
1091L88.5Confident80.7Confident33 Ų3362.3 Ų62.317%0.17331%0.312CS..Hα-helixtrans-64.1-52.3173.4179.364.8000111.1L1087 I1088 K1089 D1093 T1094 F1095 I1120 V1124L1087-L1091 PolarHBondContact O-N 2.91Å; I1088-L1091 WeakPolarHBondContact O-CB 3.48Å; I1088-L1091 PolarHBondContact O-N 3.41Å; I1088-L1091 VanDerWaalsContact O-N 3.14Å; K1089-L1091 VanDerWaalsContact C-N 3.26Å; K1089-L1091 PolarHBondContact O-N 2.98Å; L1091-D1093 PolarHBondContact O-N 2.83Å; L1091-T1094 PolarHBondContact O-N 3.09Å; L1091-F1095 HydrophobicContact CD1-CD2 3.87Å; L1091-F1095 HydrophobicContact CD1-CE2 3.55Å; L1091-F1095 HydrophobicContact CG-CD2 4.35Å; L1091-F1095 HydrophobicContact CG-CE2 4.38Å; L1091-F1095 VanDerWaalsContact O-CD2 3.32Å; L1091-F1095 WeakPolarHBondContact O-CD2 3.45Å; L1091-F1095 PolarHBondContact O-N 3.48Å; L1091-I1120 HydrophobicContact CD1-CG1 4.28Å; L1091-I1120 HydrophobicContact CD1-CG2 3.69Å; L1091-V1124 HydrophobicContact CB-CG2 4.43Å
1092V84Confident78.7Confident73 Ų7359.9 Ų59.944%0.44231%0.308SS..Hα-helixtrans-61.6-45.3-178.5173.60000111.7I1088 K1089 T1094 F1095 A1096I1088-V1092 HydrophobicContact CG2-CG2 4.27Å; I1088-V1092 WeakPolarHBondContact O-CG2 3.46Å; I1088-V1092 PolarHBondContact O-N 2.97Å; K1089-V1092 PolarHBondContact O-N 2.84Å; K1089-V1092 VanDerWaalsContact O-N 3.14Å; V1092-T1094 VanDerWaalsContact C-N 3.31Å; V1092-T1094 PolarHBondContact O-N 3.43Å; V1092-F1095 CarbonylContact O-C 3.57Å; V1092-F1095 PolarHBondContact O-N 3.3Å; V1092-F1095 VanDerWaalsContact O-N 3.09Å; V1092-A1096 WeakPolarHBondContact O-CB 3.49Å; V1092-A1096 PolarHBondContact O-N 3.08Å
1093D83.9Confident76.4Confident63 Ų6355 Ų5534%0.33729%0.288SS..Hα-helixtrans-61.2-39.9178.9-70.5-13.9000111K1089 L1091 F1095 A1096 Q1097K1089-D1093 WeakPolarHBondContact CE-OD2 3.36Å; K1089-D1093 WeakPolarHBondContact CG-OD2 3.13Å; K1089-D1093 WeakPolarHBondContact O-CB 3.4Å; K1089-D1093 VanDerWaalsContact O-CG 3.25Å; K1089-D1093 PolarHBondContact O-N 2.97Å; L1091-D1093 PolarHBondContact O-N 2.83Å; D1093-F1095 PolarHBondContact O-N 3.36Å; D1093-A1096 PolarHBondContact O-N 3.3Å; D1093-Q1097 PolarHBondContact O-N 3.19Å
1094T79.4Confident74.1Confident7 Ų764.2 Ų64.24%0.04333%0.328CS..Hα-helixtrans-65.2-37.3174.4-57.40000112.4R1090 L1091 V1092 Q1097 P1098 H1101 I1120R1090-T1094 WeakPolarHBondContact O-CB 3.28Å; R1090-T1094 PolarHBondContact O-N 3.07Å; R1090-T1094 PolarHBondContact O-OG1 3.17Å; L1091-T1094 PolarHBondContact O-N 3.09Å; V1092-T1094 VanDerWaalsContact C-N 3.31Å; V1092-T1094 PolarHBondContact O-N 3.43Å; T1094-Q1097 CarbonylContact O-C 3.56Å; T1094-P1098 WeakPolarHBondContact O-CA 3.47Å; T1094-H1101 HydrophobicContact CG2-CB 3.76Å; T1094-I1120 HydrophobicContact CG2-CB 3.98Å; T1094-I1120 HydrophobicContact CG2-CG2 3.46Å; T1094-I1120 VanDerWaalsContact CG2-CG2 3.46Å
1095F74.5Confident72Confident40 Ų4073 Ų7318%0.17537%0.367CS..Hα-helixtrans-73.5-35.8176.3-89.5-105.8000112.7V252 L1091 V1092 D1093 Q1117 I1120V252-F1095 HydrophobicContact CG2-CE1 4.2Å; V252-F1095 HydrophobicContact CG2-CZ 4.25Å; L1091-F1095 HydrophobicContact CD1-CD2 3.87Å; L1091-F1095 HydrophobicContact CD1-CE2 3.55Å; L1091-F1095 HydrophobicContact CG-CD2 4.35Å; L1091-F1095 HydrophobicContact CG-CE2 4.38Å; L1091-F1095 VanDerWaalsContact O-CD2 3.32Å; L1091-F1095 WeakPolarHBondContact O-CD2 3.45Å; L1091-F1095 PolarHBondContact O-N 3.48Å; V1092-F1095 CarbonylContact O-C 3.57Å; V1092-F1095 PolarHBondContact O-N 3.3Å; V1092-F1095 VanDerWaalsContact O-N 3.09Å; D1093-F1095 PolarHBondContact O-N 3.36Å; F1095-Q1117 HydrophobicContact CD1-CB 4.47Å; F1095-Q1117 HydrophobicContact CD1-CG 4.05Å; F1095-Q1117 HydrophobicContact CD2-CB 4.25Å; F1095-Q1117 HydrophobicContact CD2-CG 4.03Å; F1095-Q1117 HydrophobicContact CE1-CB 4.07Å; F1095-Q1117 HydrophobicContact CE1-CG 4.14Å; F1095-Q1117 HydrophobicContact CE2-CB 3.83Å; F1095-Q1117 HydrophobicContact CE2-CG 4.13Å; F1095-Q1117 HydrophobicContact CG-CG 4.01Å; F1095-Q1117 HydrophobicContact CZ-CB 3.75Å; F1095-Q1117 HydrophobicContact CZ-CG 4.2Å; F1095-Q1117 PolarHBondContact O-NE2 2.97Å; F1095-I1120 HydrophobicContact CD2-CG2 4.34Å; F1095-I1120 HydrophobicContact CE2-CG2 4.07Å
1096A69.7Low70.3Confident75 Ų7574.4 Ų74.462%0.6237%0.37SS*.Hα-helixtrans-72.7-33.7177.200000112.3V1092 D1093 P1098V1092-A1096 WeakPolarHBondContact O-CB 3.49Å; V1092-A1096 PolarHBondContact O-N 3.08Å; D1093-A1096 PolarHBondContact O-N 3.3Å; A1096-P1098 VanDerWaalsContact C-CD 3.48Å; A1096-P1098 WeakPolarHBondContact O-CD 3.44Å
1097Q66.6Low69.2Low89 Ų8971.3 Ų71.342%0.41636%0.357SS..  trans-127.665.5-178.1-58.8-175800111.7D1093 T1094 R1099 Q1100 H1101D1093-Q1097 PolarHBondContact O-N 3.19Å; T1094-Q1097 CarbonylContact O-C 3.56Å; Q1097-R1099 PolarHBondContact O-N 3.24Å; Q1097-Q1100 HydrophobicContact CB-CB 4.29Å; Q1097-Q1100 HydrophobicContact CB-CG 4.39Å; Q1097-Q1100 PolarHBondContact O-N 3.26Å; Q1097-Q1100 VanDerWaalsContact OE1-OE1 3.05Å; Q1097-H1101 PolarHBondContact O-N 3.29Å
1098P59.7Low68.1Low56 Ų5673.7 Ų73.736%0.36437%0.37SS..THydrogen-bonded Turntrans-60.5-22.7-175.424.4-33.7000113.1T1094 A1096 Q1117T1094-P1098 WeakPolarHBondContact O-CA 3.47Å; A1096-P1098 VanDerWaalsContact C-CD 3.48Å; A1096-P1098 WeakPolarHBondContact O-CD 3.44Å; P1098-Q1117 HydrophobicContact CB-CG 4.49Å
1099R57.2Low67.4Low101 Ų10174.1 Ų74.138%0.38137%0.371SS..THydrogen-bonded Turntrans-78.7-29.5178.9-63-168.8-93.2-170.6-0113.9Y311 E350 E354 Q1097Y311-R1099 PolarHBondContact OH-NH1 3.23Å; E350-R1099 IonicContact OE1-CZ 3.86Å; E350-R1099 IonicContact OE1-NH1 3.73Å; E350-R1099 IonicContact OE1-NH2 2.68Å; E350-R1099 PolarHBondContact OE1-NH2 3.25Å; E354-R1099 IonicContact OE1-CZ 3.89Å; E354-R1099 IonicContact OE1-NH1 2.73Å; E354-R1099 PolarHBondContact OE1-NH1 2.93Å; E354-R1099 IonicContact OE1-NH2 3.62Å; E354-R1099 PolarHBondContact OE1-NH2 2.93Å; E354-R1099 IonicContact OE2-CZ 3.87Å; E354-R1099 IonicContact OE2-NH1 2.87Å; E354-R1099 PolarHBondContact OE2-NH1 3.35Å; Q1097-R1099 PolarHBondContact O-N 3.24Å
1100Q54.9Low67Low137 Ų13770.4 Ų70.464%0.6436%0.355SS*.THydrogen-bonded Turntrans-84.9-30.7-179-65.9-161.312.800112.6Q1097Q1097-Q1100 HydrophobicContact CB-CB 4.29Å; Q1097-Q1100 HydrophobicContact CB-CG 4.39Å; Q1097-Q1100 PolarHBondContact O-N 3.26Å; Q1097-Q1100 VanDerWaalsContact OE1-OE1 3.05Å
1101H50.7Low66.6Low92 Ų9269.6 Ų69.643%0.42636%0.355SS..SBendtrans-98.2-0.5-174.9-71.6-63.2000114.5T1094 Q1097 C1103T1094-H1101 HydrophobicContact CG2-CB 3.76Å; Q1097-H1101 PolarHBondContact O-N 3.29Å; H1101-C1103 PolarHBondContact O-N 3.32Å
1102G47Very low66.5Low30 Ų3069.1 Ų69.131%0.30935%0.352SS..SBendtrans-75.9113.2160.400000108.5K1104G1102-K1104 PolarHBondContact O-N 3.17Å
1103C45.8Very low66.4Low27 Ų2767 Ų6718%0.18234%0.336CS..  trans-42.3112.9179.1-173.90000110.2D1046 H1101 K1105 N1106D1046-C1103 PolarHBondContact OD2-SG 3.27Å; H1101-C1103 PolarHBondContact O-N 3.32Å; C1103-K1105 PolarHBondContact O-N 3.37Å; C1103-N1106 HydrophobicContact CB-CB 3.9Å; C1103-N1106 VanDerWaalsContact CB-CG 3.42Å; C1103-N1106 VanDerWaalsContact CB-ND2 3.28Å; C1103-N1106 WeakPolarHBondContact CB-ND2 3.22Å; C1103-N1106 PolarHBondContact O-N 2.63Å
1104K45.3Very low65.8Low201 Ų20165.5 Ų65.587%0.87433%0.331SS*.THydrogen-bonded Turntrans-55.3-12.8-175.6-75.7-176.3174.7-177.30114G1102G1102-K1104 PolarHBondContact O-N 3.17Å
1105K52.3Low65.4Low192 Ų19266.4 Ų66.484%0.83534%0.336SS*.THydrogen-bonded Turntrans-106.8-0.9-179.7-71.7-176.5175.6178.20114.3C1103 E1107C1103-K1105 PolarHBondContact O-N 3.37Å; K1105-E1107 PolarHBondContact O-N 2.72Å
1106N58.3Low65.5Low55 Ų5565.3 Ų65.329%0.29434%0.336SS..  trans-85.9111.6-173-86.40.2000111.8C1103 L1108C1103-N1106 HydrophobicContact CB-CB 3.9Å; C1103-N1106 VanDerWaalsContact CB-CG 3.42Å; C1103-N1106 VanDerWaalsContact CB-ND2 3.28Å; C1103-N1106 WeakPolarHBondContact CB-ND2 3.22Å; C1103-N1106 PolarHBondContact O-N 2.63Å; N1106-L1108 PolarHBondContact O-N 3.25Å
1107E69.4Low65.8Low50 Ų5062.4 Ų62.423%0.23431%0.309CS..  trans-62.9101166.7-84.6-82.1-157.800110.8R368 L918 K1105 R1109 F1110 C1111R368-E1107 IonicContact NH1-OE2 2.77Å; L918-E1107 HydrophobicContact CD1-CB 4.22Å; L918-E1107 HydrophobicContact CD1-CG 3.74Å; L918-E1107 HydrophobicContact CD2-CB 4.17Å; L918-E1107 HydrophobicContact CD2-CG 3.72Å; L918-E1107 HydrophobicContact CG-CG 4.39Å; K1105-E1107 PolarHBondContact O-N 2.72Å; E1107-R1109 PolarHBondContact O-N 3.14Å; E1107-R1109 IonicContact OE1-CZ 3.8Å; E1107-R1109 IonicContact OE1-NH2 2.82Å; E1107-R1109 PolarHBondContact OE1-NH2 2.95Å; E1107-R1109 IonicContact OE2-CZ 2.79Å; E1107-R1109 IonicContact OE2-NE 3.43Å; E1107-R1109 PolarHBondContact OE2-NE 3.16Å; E1107-R1109 VanDerWaalsContact OE2-NE 3.11Å; E1107-R1109 IonicContact OE2-NH2 3.74Å; E1107-R1109 PolarHBondContact OE2-NH2 2.96Å; E1107-F1110 HydrophobicContact CB-CD2 4.17Å; E1107-F1110 PolarHBondContact O-N 3.24Å; E1107-C1111 PolarHBondContact O-SG 3.01Å
1108L70.8Confident66.4Low56 Ų5658.4 Ų58.429%0.29329%0.291SS..G310 helixtrans-51.4-27.5-175.1-65.3174.6000113.6D365 N1106 F1110 C1111D365-L1108 HydrophobicContact CB-CD1 3.78Å; N1106-L1108 PolarHBondContact O-N 3.25Å; L1108-F1110 PolarHBondContact O-N 3.4Å; L1108-C1111 PolarHBondContact O-N 3.03Å
1109R77.7Confident67.8Low21 Ų2157.5 Ų57.58%0.07928%0.282CS..G310 helixtrans-57.8-25.7176.3-70.3175.5-84.4-138.9-3.8113.7D533 Y577 Y618 E1107D533-R1109 IonicContact OD1-CZ 2.95Å; D533-R1109 IonicContact OD1-NH1 2.79Å; D533-R1109 PolarHBondContact OD1-NH1 2.71Å; D533-R1109 IonicContact OD1-NH2 3.29Å; D533-R1109 IonicContact OD2-CZ 3.06Å; D533-R1109 IonicContact OD2-NH1 3.7Å; D533-R1109 PolarHBondContact OD2-NH1 2.96Å; D533-R1109 IonicContact OD2-NH2 2.77Å; D533-R1109 PolarHBondContact OD2-NH2 3.18Å; Y577-R1109 PolarHBondContact OH-NH1 3.46Å; Y618-R1109 WeakPolarHBondContact CD2-O 3.5Å; E1107-R1109 PolarHBondContact O-N 3.14Å; E1107-R1109 IonicContact OE1-CZ 3.8Å; E1107-R1109 IonicContact OE1-NH2 2.82Å; E1107-R1109 PolarHBondContact OE1-NH2 2.95Å; E1107-R1109 IonicContact OE2-CZ 2.79Å; E1107-R1109 IonicContact OE2-NE 3.43Å; E1107-R1109 PolarHBondContact OE2-NE 3.16Å; E1107-R1109 VanDerWaalsContact OE2-NE 3.11Å; E1107-R1109 IonicContact OE2-NH2 3.74Å; E1107-R1109 PolarHBondContact OE2-NH2 2.96Å
1110F82.2Confident69.3Low42 Ų4253 Ų5318%0.18427%0.265CS..G310 helixtrans-120.63-173.9-55.5-61.7000113.9F529 Y618 N917 L918 E1107 L1108F529-F1110 HydrophobicContact CD2-CE2 4.44Å; F529-F1110 AromaticContact CE2-CE2 3.51Å; F529-F1110 HydrophobicContact CE2-CE2 3.51Å; F529-F1110 AromaticContact CE2-CZ 3.63Å; F529-F1110 HydrophobicContact CE2-CZ 3.63Å; F529-F1110 AromaticContact CZ-CE2 3.79Å; F529-F1110 HydrophobicContact CZ-CE2 3.79Å; F529-F1110 AromaticContact CZ-CZ 3.52Å; F529-F1110 HydrophobicContact CZ-CZ 3.52Å; Y618-F1110 VanDerWaalsContact CE2-C 3.48Å; Y618-F1110 HydrophobicContact CE2-CB 4.49Å; Y618-F1110 WeakPolarHBondContact CE2-O 3.48Å; Y618-F1110 PolarHBondContact OH-O 3.45Å; N917-F1110 HydrophobicContact CB-CD1 4.28Å; N917-F1110 HydrophobicContact CB-CD2 4.13Å; N917-F1110 HydrophobicContact CB-CE1 3.79Å; N917-F1110 HydrophobicContact CB-CE2 3.62Å; N917-F1110 HydrophobicContact CB-CG 4.42Å; N917-F1110 HydrophobicContact CB-CZ 3.41Å; N917-F1110 VanDerWaalsContact CB-CZ 3.41Å; N917-F1110 VanDerWaalsContact ND2-CD1 3.3Å; N917-F1110 WeakPolarHBondContact ND2-CD1 3.47Å; N917-F1110 WeakPolarHBondContact ND2-CE1 3.38Å; L918-F1110 HydrophobicContact CD2-CD2 4.07Å; L918-F1110 HydrophobicContact CD2-CE2 3.72Å; E1107-F1110 HydrophobicContact CB-CD2 4.17Å; E1107-F1110 PolarHBondContact O-N 3.24Å; L1108-F1110 PolarHBondContact O-N 3.4Å
1111C80.9Confident70.9Confident22 Ų2248.9 Ų48.915%0.14925%0.247CC..  trans-73.4137.1177.1-65.80000111.5Y618 E1107 L1108 F1113Y618-C1111 WeakPolarHBondContact CE1-O 3.35Å; Y618-C1111 PolarHBondContact OH-O 2.69Å; E1107-C1111 PolarHBondContact O-SG 3.01Å; L1108-C1111 PolarHBondContact O-N 3.03Å; C1111-F1113 VanDerWaalsContact CB-O 3.28Å; C1111-F1113 WeakPolarHBondContact CB-O 3.16Å; C1111-F1113 PolarHBondContact O-N 3.35Å
1112E86Confident72.9Confident23 Ų2345 Ų4511%0.10723%0.229CC..SBendtrans-57.2-39.2177.5173167-169.200111.9Y618 F1007 P1008 I1009 S1010Y618-E1112 VanDerWaalsContact OH-CA 3.23Å; Y618-E1112 WeakPolarHBondContact OH-CA 3.31Å; Y618-E1112 PolarHBondContact OH-N 2.85Å; Y618-E1112 VanDerWaalsContact OH-N 3.07Å; F1007-E1112 VanDerWaalsContact C-OE1 3.31Å; F1007-E1112 VanDerWaalsContact C-OE2 3.31Å; F1007-E1112 VanDerWaalsContact CA-CD 3.42Å; F1007-E1112 WeakPolarHBondContact CA-OE1 3.38Å; F1007-E1112 WeakPolarHBondContact CA-OE2 3.5Å; F1007-E1112 HydrophobicContact CB-CG 4.47Å; F1007-E1112 HydrophobicContact CD1-CG 4.15Å; P1008-E1112 WeakPolarHBondContact CD-OE2 3.46Å; I1009-E1112 WeakPolarHBondContact CB-OE2 3.42Å; I1009-E1112 PolarHBondContact N-OE2 2.8Å; S1010-E1112 WeakPolarHBondContact CA-OE1 3.4Å; S1010-E1112 WeakPolarHBondContact CB-OE1 3.49Å; S1010-E1112 PolarHBondContact N-OE1 3.38Å; S1010-E1112 PolarHBondContact OG-OE1 2.7Å
1113F83.2Confident75.1Confident27 Ų2743.6 Ų43.612%0.11822%0.215CC..SBendtrans-116.7145.5174.7-54.6-72.4000110.5I1009 C1111 N1115 T1118 H1119 H1122I1009-F1113 HydrophobicContact CB-CE2 3.81Å; I1009-F1113 HydrophobicContact CB-CZ 4.23Å; I1009-F1113 HydrophobicContact CD1-CD2 4.37Å; I1009-F1113 HydrophobicContact CD1-CE2 3.85Å; I1009-F1113 HydrophobicContact CG1-CE2 4.37Å; I1009-F1113 HydrophobicContact CG2-CE2 3.74Å; I1009-F1113 HydrophobicContact CG2-CZ 4.02Å; C1111-F1113 VanDerWaalsContact CB-O 3.28Å; C1111-F1113 WeakPolarHBondContact CB-O 3.16Å; C1111-F1113 PolarHBondContact O-N 3.35Å; F1113-N1115 PolarHBondContact O-N 3.44Å; F1113-T1118 HydrophobicContact CB-CG2 4.32Å; F1113-T1118 HydrophobicContact CD1-CG2 3.5Å; F1113-T1118 VanDerWaalsContact CD1-CG2 3.5Å; F1113-T1118 HydrophobicContact CE1-CG2 4.04Å; F1113-T1118 HydrophobicContact CG-CG2 4.03Å; F1113-H1119 HydrophobicContact CB-CB 4.3Å; F1113-H1119 HydrophobicContact CD2-CB 3.84Å; F1113-H1119 HydrophobicContact CG-CB 4.42Å; F1113-H1122 AromaticContact CE1-CE1 3.83Å; F1113-H1122 AromaticContact CE1-ND1 3.76Å; F1113-H1122 HydrophobicContact CE2-CB 4.31Å; F1113-H1122 HydrophobicContact CZ-CB 4.03Å; F1113-H1122 AromaticContact CZ-CG 3.72Å; F1113-H1122 AromaticContact CZ-ND1 3.78Å
1114S70.3Confident77.5Confident33 Ų3342.5 Ų42.523%0.23121%0.207CC..SBendtrans-70.9-12.2-178.847.80000114.7H316H316-S1114 PolarHBondContact CE1-OG 3.29Å; H316-S1114 PolarHBondContact NE2-OG 2.9Å
1115N71Confident79.8Confident25 Ų2534.9 Ų34.913%0.13418%0.179CC..SBendtrans-150.1161.8179.969.86.8000112.5H316 F1113 Q1117 T1118 H1119H316-N1115 PolarHBondContact CD2-ND2 3.41Å; H316-N1115 PolarHBondContact NE2-ND2 3.4Å; F1113-N1115 PolarHBondContact O-N 3.44Å; N1115-Q1117 VanDerWaalsContact C-N 3.28Å; N1115-Q1117 PolarHBondContact ND2-OE1 2.94Å; N1115-Q1117 PolarHBondContact O-N 3.4Å; N1115-T1118 WeakPolarHBondContact OD1-CB 3.48Å; N1115-T1118 PolarHBondContact OD1-N 3.38Å; N1115-T1118 PolarHBondContact OD1-OG1 3.31Å; N1115-H1119 PolarHBondContact O-N 3.1Å
1116G76Confident81.9Confident17 Ų1725.7 Ų25.718%0.17514%0.139CC..Hα-helixtrans-64.6-29.317600000113.6I1120G1116-I1120 WeakPolarHBondContact O-CB 3.38Å; G1116-I1120 VanDerWaalsContact O-CG2 3.31Å; G1116-I1120 WeakPolarHBondContact O-CG2 3.26Å; G1116-I1120 PolarHBondContact O-N 2.9Å
1117Q77.1Confident83.7Confident14 Ų1423.1 Ų23.17%0.06513%0.125CC..Hα-helixtrans-66.1-48.1-178.8-71.5171.3-32.100113.1F1095 P1098 N1115 H1119 I1120 L1121F1095-Q1117 HydrophobicContact CD1-CB 4.47Å; F1095-Q1117 HydrophobicContact CD1-CG 4.05Å; F1095-Q1117 HydrophobicContact CD2-CB 4.25Å; F1095-Q1117 HydrophobicContact CD2-CG 4.03Å; F1095-Q1117 HydrophobicContact CE1-CB 4.07Å; F1095-Q1117 HydrophobicContact CE1-CG 4.14Å; F1095-Q1117 HydrophobicContact CE2-CB 3.83Å; F1095-Q1117 HydrophobicContact CE2-CG 4.13Å; F1095-Q1117 HydrophobicContact CG-CG 4.01Å; F1095-Q1117 HydrophobicContact CZ-CB 3.75Å; F1095-Q1117 HydrophobicContact CZ-CG 4.2Å; F1095-Q1117 PolarHBondContact O-NE2 2.97Å; P1098-Q1117 HydrophobicContact CB-CG 4.49Å; N1115-Q1117 VanDerWaalsContact C-N 3.28Å; N1115-Q1117 PolarHBondContact ND2-OE1 2.94Å; N1115-Q1117 PolarHBondContact O-N 3.4Å; Q1117-H1119 VanDerWaalsContact C-N 3.33Å; Q1117-I1120 WeakPolarHBondContact O-CG2 3.44Å; Q1117-I1120 PolarHBondContact O-N 2.91Å; Q1117-L1121 VanDerWaalsContact O-CB 3.32Å; Q1117-L1121 WeakPolarHBondContact O-CB 3.45Å; Q1117-L1121 PolarHBondContact O-N 3.47Å
1118T79.8Confident84.9Confident5 Ų522 Ų223%0.03112%0.12CC..Hα-helixtrans-68.1-39.6178-51.10000110.1F1113 N1115 L1121 H1122F1113-T1118 HydrophobicContact CB-CG2 4.32Å; F1113-T1118 HydrophobicContact CD1-CG2 3.5Å; F1113-T1118 VanDerWaalsContact CD1-CG2 3.5Å; F1113-T1118 HydrophobicContact CE1-CG2 4.04Å; F1113-T1118 HydrophobicContact CG-CG2 4.03Å; N1115-T1118 WeakPolarHBondContact OD1-CB 3.48Å; N1115-T1118 PolarHBondContact OD1-N 3.38Å; N1115-T1118 PolarHBondContact OD1-OG1 3.31Å; T1118-L1121 PolarHBondContact O-N 3.49Å; T1118-H1122 PolarHBondContact O-N 2.78Å; T1118-H1122 VanDerWaalsContact O-N 3.14Å; T1118-H1122 PolarHBondContact O-ND1 2.91Å
1119H87.2Confident86Confident38 Ų3821.7 Ų21.718%0.17612%0.118CC..Hα-helixtrans-57.7-54.9173.9-179.8109000111.4I1009 W1049 F1113 N1115 Q1117 L1121 H1122 S1123I1009-H1119 WeakPolarHBondContact CD1-CE1 3.13Å; I1009-H1119 WeakPolarHBondContact CD1-ND1 3.35Å; W1049-H1119 PolarHBondContact O-NE2 2.8Å; F1113-H1119 HydrophobicContact CB-CB 4.3Å; F1113-H1119 HydrophobicContact CD2-CB 3.84Å; F1113-H1119 HydrophobicContact CG-CB 4.42Å; N1115-H1119 PolarHBondContact O-N 3.1Å; Q1117-H1119 VanDerWaalsContact C-N 3.33Å; H1119-L1121 VanDerWaalsContact C-N 3.28Å; H1119-L1121 PolarHBondContact O-N 3.42Å; H1119-H1122 PolarHBondContact O-N 3.46Å; H1119-S1123 WeakPolarHBondContact O-CB 3.48Å; H1119-S1123 PolarHBondContact O-N 3.12Å; H1119-S1123 PolarHBondContact O-OG 3.02Å; H1119-S1123 VanDerWaalsContact O-OG 3.11Å
1120I88.8Confident86.8Confident7 Ų720.7 Ų20.74%0.03611%0.114CC..Hα-helixtrans-64.5-35.1-177.3-169.658.5000111.7R1090 L1091 T1094 F1095 G1116 Q1117 S1123 V1124R1090-I1120 HydrophobicContact CG-CD1 4.01Å; R1090-I1120 VanDerWaalsContact CZ-CD1 3.49Å; L1091-I1120 HydrophobicContact CD1-CG1 4.28Å; L1091-I1120 HydrophobicContact CD1-CG2 3.69Å; T1094-I1120 HydrophobicContact CG2-CB 3.98Å; T1094-I1120 HydrophobicContact CG2-CG2 3.46Å; T1094-I1120 VanDerWaalsContact CG2-CG2 3.46Å; F1095-I1120 HydrophobicContact CD2-CG2 4.34Å; F1095-I1120 HydrophobicContact CE2-CG2 4.07Å; G1116-I1120 WeakPolarHBondContact O-CB 3.38Å; G1116-I1120 VanDerWaalsContact O-CG2 3.31Å; G1116-I1120 WeakPolarHBondContact O-CG2 3.26Å; G1116-I1120 PolarHBondContact O-N 2.9Å; Q1117-I1120 WeakPolarHBondContact O-CG2 3.44Å; Q1117-I1120 PolarHBondContact O-N 2.91Å; I1120-S1123 PolarHBondContact O-N 3.13Å; I1120-V1124 HydrophobicContact CD1-CG2 4.01Å; I1120-V1124 HydrophobicContact CG1-CG2 4.1Å; I1120-V1124 WeakPolarHBondContact O-CB 3.39Å; I1120-V1124 VanDerWaalsContact O-CG2 3.29Å; I1120-V1124 WeakPolarHBondContact O-CG2 3.11Å; I1120-V1124 PolarHBondContact O-N 3.36Å
1121L90.2Very high87.2Confident50 Ų5018.7 Ų18.726%0.26211%0.106SC..Hα-helixtrans-60.4-50.6177.617962.5000110.8V252 Q1117 T1118 H1119 V1124 C1125V252-L1121 HydrophobicContact CG2-CD2 4.5Å; Q1117-L1121 VanDerWaalsContact O-CB 3.32Å; Q1117-L1121 WeakPolarHBondContact O-CB 3.45Å; Q1117-L1121 PolarHBondContact O-N 3.47Å; T1118-L1121 PolarHBondContact O-N 3.49Å; H1119-L1121 VanDerWaalsContact C-N 3.28Å; H1119-L1121 PolarHBondContact O-N 3.42Å; L1121-V1124 PolarHBondContact O-N 3.42Å; L1121-C1125 PolarHBondContact O-N 3.08Å; L1121-C1125 PolarHBondContact O-SG 2.92Å
1122H91.4Very high87.5Confident10 Ų1019.4 Ų19.45%0.04611%0.11CC..Hα-helixtrans-65.6-41.1178-7281.6000111.8H255 I1009 Y1013 F1113 T1118 H1119 V1124 C1125 I1126H255-H1122 AromaticContact CE1-CE1 3.79Å; H255-H1122 AromaticContact NE2-CE1 3.59Å; I1009-H1122 HydrophobicContact CG2-CB 3.62Å; Y1013-H1122 AromaticContact CG-CD2 3.96Å; F1113-H1122 AromaticContact CE1-CE1 3.83Å; F1113-H1122 AromaticContact CE1-ND1 3.76Å; F1113-H1122 HydrophobicContact CE2-CB 4.31Å; F1113-H1122 HydrophobicContact CZ-CB 4.03Å; F1113-H1122 AromaticContact CZ-CG 3.72Å; F1113-H1122 AromaticContact CZ-ND1 3.78Å; T1118-H1122 PolarHBondContact O-N 2.78Å; T1118-H1122 VanDerWaalsContact O-N 3.14Å; T1118-H1122 PolarHBondContact O-ND1 2.91Å; H1119-H1122 PolarHBondContact O-N 3.46Å; H1122-V1124 PolarHBondContact O-N 3.02Å; H1122-C1125 PolarHBondContact O-N 2.75Å; H1122-I1126 WeakPolarHBondContact O-CD1 3.4Å; H1122-I1126 VanDerWaalsContact O-CG1 3.25Å; H1122-I1126 WeakPolarHBondContact O-CG1 3.26Å; H1122-I1126 PolarHBondContact O-N 2.74Å
1123S94.3Very high87.5Confident0 Ų019.9 Ų19.90%012%0.115CC..Hα-helixtrans-58.6-47176.4-69.40000112.3L1050 H1119 I1120 I1126 E1127L1050-S1123 WeakPolarHBondContact O-CB 3.44Å; H1119-S1123 WeakPolarHBondContact O-CB 3.48Å; H1119-S1123 PolarHBondContact O-N 3.12Å; H1119-S1123 PolarHBondContact O-OG 3.02Å; H1119-S1123 VanDerWaalsContact O-OG 3.11Å; I1120-S1123 PolarHBondContact O-N 3.13Å; S1123-I1126 PolarHBondContact O-N 3.28Å; S1123-E1127 WeakPolarHBondContact O-CB 3.48Å; S1123-E1127 PolarHBondContact O-N 3.42Å
1124V95.1Very high87.7Confident4 Ų421.1 Ų21.12%0.02413%0.128CC..Hα-helixtrans-65.1-41.2176.61700000111L1087 L1091 I1120 L1121 H1122 I1126 E1127 L1128L1087-V1124 HydrophobicContact CD1-CG1 4.44Å; L1087-V1124 HydrophobicContact CD1-CG2 4.03Å; L1087-V1124 HydrophobicContact CD2-CG1 4.18Å; L1087-V1124 HydrophobicContact CG-CG1 4.04Å; L1087-V1124 HydrophobicContact CG-CG2 4.38Å; L1091-V1124 HydrophobicContact CB-CG2 4.43Å; I1120-V1124 HydrophobicContact CD1-CG2 4.01Å; I1120-V1124 HydrophobicContact CG1-CG2 4.1Å; I1120-V1124 WeakPolarHBondContact O-CB 3.39Å; I1120-V1124 VanDerWaalsContact O-CG2 3.29Å; I1120-V1124 WeakPolarHBondContact O-CG2 3.11Å; I1120-V1124 PolarHBondContact O-N 3.36Å; L1121-V1124 PolarHBondContact O-N 3.42Å; H1122-V1124 PolarHBondContact O-N 3.02Å; V1124-I1126 PolarHBondContact O-N 3.12Å; V1124-E1127 PolarHBondContact O-N 2.66Å; V1124-L1128 HydrophobicContact CG1-CD1 3.87Å; V1124-L1128 HydrophobicContact CG1-CG 4.27Å; V1124-L1128 WeakPolarHBondContact O-CB 3.41Å; V1124-L1128 VanDerWaalsContact O-CG 3.25Å; V1124-L1128 WeakPolarHBondContact O-CG 3.38Å; V1124-L1128 PolarHBondContact O-N 3.36Å
1125C94.7Very high88.5Confident41 Ų4123.4 Ų23.428%0.27714%0.14SC..Hα-helixtrans-61.3-43.2174.7-71.30000112.5Y1013 L1121 H1122 M1129Y1013-C1125 HydrophobicContact CD2-CB 4.23Å; Y1013-C1125 HydrophobicContact CE2-CB 3.99Å; L1121-C1125 PolarHBondContact O-N 3.08Å; L1121-C1125 PolarHBondContact O-SG 2.92Å; H1122-C1125 PolarHBondContact O-N 2.75Å; C1125-M1129 WeakPolarHBondContact O-CB 3.44Å; C1125-M1129 WeakPolarHBondContact O-CE 3.48Å; C1125-M1129 VanDerWaalsContact O-CG 3.31Å; C1125-M1129 WeakPolarHBondContact O-CG 3.49Å; C1125-M1129 PolarHBondContact O-N 3.43Å
1126I96.3Very high89.3Confident0 Ų025.2 Ų25.20%016%0.155CC..Hα-helixtrans-62.4-46.4176.9-71.3160.7000110.4I1009 L1012 Y1013 F1016 L1050 H1122 S1123 V1124 M1129 A1130I1009-I1126 HydrophobicContact CB-CD1 4.36Å; I1009-I1126 HydrophobicContact CG2-CD1 3.39Å; I1009-I1126 WeakPolarHBondContact O-CD1 3.35Å; L1012-I1126 HydrophobicContact CB-CD1 3.91Å; L1012-I1126 HydrophobicContact CB-CG1 4.24Å; L1012-I1126 HydrophobicContact CB-CG2 4.2Å; L1012-I1126 HydrophobicContact CD1-CG2 4.12Å; Y1013-I1126 HydrophobicContact CD2-CG1 4.42Å; F1016-I1126 HydrophobicContact CD2-CG2 4.21Å; F1016-I1126 HydrophobicContact CE2-CG2 3.89Å; L1050-I1126 HydrophobicContact CD1-CD1 4.16Å; H1122-I1126 WeakPolarHBondContact O-CD1 3.4Å; H1122-I1126 VanDerWaalsContact O-CG1 3.25Å; H1122-I1126 WeakPolarHBondContact O-CG1 3.26Å; H1122-I1126 PolarHBondContact O-N 2.74Å; S1123-I1126 PolarHBondContact O-N 3.28Å; V1124-I1126 PolarHBondContact O-N 3.12Å; I1126-M1129 HydrophobicContact CG1-CE 4.43Å; I1126-M1129 PolarHBondContact O-N 3.3Å; I1126-A1130 WeakPolarHBondContact O-CB 3.46Å; I1126-A1130 PolarHBondContact O-N 3.39Å
1127E95.9Very high90Very high0 Ų029.8 Ų29.80%017%0.171CC..Hα-helixtrans-60.3-48.4178.4171.4155.5-175.700111.6L1051 S1052 L1055 Y1083 L1087 R1090 S1123 V1124 M1129 A1130 L1131L1051-E1127 HydrophobicContact CD2-CB 4.4Å; S1052-E1127 WeakPolarHBondContact CB-OE1 3.26Å; S1052-E1127 PolarHBondContact N-OE1 3.16Å; S1052-E1127 PolarHBondContact N-OE2 3.44Å; S1052-E1127 PolarHBondContact OG-OE1 3.26Å; L1055-E1127 HydrophobicContact CD2-CB 4.3Å; L1055-E1127 HydrophobicContact CD2-CG 3.7Å; Y1083-E1127 VanDerWaalsContact OH-CG 3.29Å; Y1083-E1127 WeakPolarHBondContact OH-CG 3.41Å; Y1083-E1127 PolarHBondContact OH-OE1 3.19Å; L1087-E1127 HydrophobicContact CD1-CG 4.24Å; L1087-E1127 HydrophobicContact CD2-CG 4.16Å; R1090-E1127 IonicContact NH1-OE2 3.45Å; R1090-E1127 PolarHBondContact NH1-OE2 3.05Å; S1123-E1127 WeakPolarHBondContact O-CB 3.48Å; S1123-E1127 PolarHBondContact O-N 3.42Å; V1124-E1127 PolarHBondContact O-N 2.66Å; E1127-M1129 VanDerWaalsContact C-N 3.32Å; E1127-M1129 PolarHBondContact O-N 3.39Å; E1127-A1130 PolarHBondContact O-N 2.83Å; E1127-L1131 WeakPolarHBondContact O-CG 3.4Å; E1127-L1131 PolarHBondContact O-N 3.39Å
1128L95.2Very high90.8Very high27 Ų2729.8 Ų29.814%0.14117%0.172CC..Hα-helixtrans-58.8-40.8175-72.1169.8000112.4F1084 L1087 V1124 A1130 L1131 V1138 L1142F1084-L1128 HydrophobicContact CD1-CD2 4.19Å; F1084-L1128 HydrophobicContact CE1-CD2 4.04Å; L1087-L1128 HydrophobicContact CD2-CD2 3.71Å; L1087-L1128 HydrophobicContact CD2-CG 3.95Å; V1124-L1128 HydrophobicContact CG1-CD1 3.87Å; V1124-L1128 HydrophobicContact CG1-CG 4.27Å; V1124-L1128 WeakPolarHBondContact O-CB 3.41Å; V1124-L1128 VanDerWaalsContact O-CG 3.25Å; V1124-L1128 WeakPolarHBondContact O-CG 3.38Å; V1124-L1128 PolarHBondContact O-N 3.36Å; L1128-A1130 VanDerWaalsContact C-N 3.31Å; L1128-L1131 HydrophobicContact CD2-CD1 4.28Å; L1128-V1138 HydrophobicContact CB-CG1 4.33Å; L1128-V1138 HydrophobicContact CD2-CG1 3.78Å; L1128-L1142 HydrophobicContact CD1-CD1 4.05Å; L1128-L1142 HydrophobicContact CD2-CD1 4.39Å; L1128-L1142 HydrophobicContact CD2-CD2 4.46Å
1129M93.6Very high91.4Very high49 Ų4930.9 Ų30.924%0.24119%0.185CC..Hα-helixtrans-68.5-30.3175.8-74.3-172.8-67.400112.4Y1013 F1016 K1030 C1125 I1126 E1127Y1013-M1129 HydrophobicContact CD2-CE 3.85Å; Y1013-M1129 HydrophobicContact CE2-CE 4.23Å; F1016-M1129 HydrophobicContact CB-CB 4.39Å; F1016-M1129 HydrophobicContact CB-CE 3.89Å; F1016-M1129 HydrophobicContact CB-SD 3.92Å; F1016-M1129 HydrophobicContact CD2-CB 4.13Å; F1016-M1129 HydrophobicContact CD2-CE 4.48Å; K1030-M1129 VanDerWaalsContact CD-O 3.25Å; K1030-M1129 WeakPolarHBondContact CD-O 3.41Å; K1030-M1129 VanDerWaalsContact CE-O 3.27Å; K1030-M1129 WeakPolarHBondContact CE-O 3.48Å; K1030-M1129 PolarHBondContact NZ-O 3.19Å; C1125-M1129 WeakPolarHBondContact O-CB 3.44Å; C1125-M1129 WeakPolarHBondContact O-CE 3.48Å; C1125-M1129 VanDerWaalsContact O-CG 3.31Å; C1125-M1129 WeakPolarHBondContact O-CG 3.49Å; C1125-M1129 PolarHBondContact O-N 3.43Å; I1126-M1129 HydrophobicContact CG1-CE 4.43Å; I1126-M1129 PolarHBondContact O-N 3.3Å; E1127-M1129 VanDerWaalsContact C-N 3.32Å; E1127-M1129 PolarHBondContact O-N 3.39Å
1130A93.2Very high91.7Very high0 Ų034.3 Ų34.30%020%0.201CC..Hα-helixtrans-80.4-16.5-176.700000114.1F1016 K1030 L1031 A1034 I1126 E1127 L1128F1016-A1130 HydrophobicContact CE2-CB 4.1Å; K1030-A1130 HydrophobicContact CB-CB 4.38Å; L1031-A1130 VanDerWaalsContact CD2-O 3.24Å; L1031-A1130 WeakPolarHBondContact CD2-O 3.42Å; L1031-A1130 WeakPolarHBondContact CG-O 3.41Å; A1034-A1130 HydrophobicContact CB-CB 4.43Å; I1126-A1130 WeakPolarHBondContact O-CB 3.46Å; I1126-A1130 PolarHBondContact O-N 3.39Å; E1127-A1130 PolarHBondContact O-N 2.83Å; L1128-A1130 VanDerWaalsContact C-N 3.31Å
1131L92.2Very high91.8Very high1 Ų134.5 Ų34.51%0.00520%0.203CC..SBendtrans-53.7145.3-176.8-67.7177.7000112.9W1077 P1079 Y1083 F1084 E1127 L1128 C1133 V1138W1077-L1131 HydrophobicContact CH2-CD2 3.82Å; W1077-L1131 HydrophobicContact CZ3-CD2 3.5Å; P1079-L1131 HydrophobicContact CG-CD1 4.4Å; P1079-L1131 HydrophobicContact CG-CD2 4Å; Y1083-L1131 HydrophobicContact CE1-CD1 4.04Å; Y1083-L1131 HydrophobicContact CE1-CD2 3.96Å; F1084-L1131 HydrophobicContact CE1-CD1 3.77Å; F1084-L1131 HydrophobicContact CZ-CD1 4.03Å; E1127-L1131 WeakPolarHBondContact O-CG 3.4Å; E1127-L1131 PolarHBondContact O-N 3.39Å; L1128-L1131 HydrophobicContact CD2-CD1 4.28Å; L1131-C1133 PolarHBondContact O-N 2.8Å; L1131-V1138 HydrophobicContact CD1-CG2 3.96Å
1132P86.7Confident91.9Very high37 Ų3733.6 Ų33.624%0.2420%0.199CC..SBendtrans-78.524.3179.135.7-38.8000113.5L1031 Y1058 W1077L1031-P1132 HydrophobicContact CD1-CB 4.42Å; Y1058-P1132 HydrophobicContact CE1-CB 4.22Å; Y1058-P1132 HydrophobicContact CE1-CG 3.77Å; W1077-P1132 HydrophobicContact CE3-CG 4.1Å; W1077-P1132 WeakPolarHBondContact O-CG 3.3Å
1133C86.3Confident91.9Very high32 Ų3237.6 Ų37.622%0.21622%0.22CC..SBendtrans-119.1167.2176.953.90000111.2L1131 E1137 V1138L1131-C1133 PolarHBondContact O-N 2.8Å; C1133-E1137 HydrophobicContact CB-CB 4.47Å; C1133-V1138 WeakPolarHBondContact SG-CG2 3.4Å
1134S86.4Confident91.8Very high54 Ų5441.5 Ų41.538%0.37824%0.24SC..  trans-70.1151.5-179.969.40000111.7S1136 E1137 V1138S1134-S1136 PolarHBondContact O-N 3.48Å; S1134-E1137 WeakPolarHBondContact CB-OE2 3.3Å; S1134-E1137 PolarHBondContact N-OE2 2.86Å; S1134-E1137 PolarHBondContact O-N 2.87Å; S1134-E1137 VanDerWaalsContact O-N 3.08Å; S1134-E1137 WeakPolarHBondContact OG-CB 3.48Å; S1134-E1137 WeakPolarHBondContact OG-CG 3.45Å; S1134-E1137 PolarHBondContact OG-N 3.4Å; S1134-E1137 PolarHBondContact OG-OE2 2.98Å; S1134-V1138 PolarHBondContact O-N 3.24Å; S1134-V1138 VanDerWaalsContact O-N 3.12Å
1135T86.3Confident91.4Very high80 Ų8041.6 Ų41.649%0.49124%0.241SC..Hα-helixtrans-58.1-33.6176.752.50000112.3G1139T1135-G1139 PolarHBondContact O-N 3.31Å
1136S89.7Confident90.7Very high64 Ų6445.3 Ų45.345%0.44825%0.253SS..Hα-helixtrans-67.1-40.4175.7-173.80000112.4S1134 G1139 H1140S1134-S1136 PolarHBondContact O-N 3.48Å; S1136-G1139 PolarHBondContact O-N 3.32Å; S1136-H1140 WeakPolarHBondContact O-CB 3.37Å; S1136-H1140 PolarHBondContact O-N 3.07Å; S1136-H1140 PolarHBondContact O-ND1 3.31Å; S1136-H1140 PolarHBondContact OG-CE1 3.45Å; S1136-H1140 PolarHBondContact OG-ND1 2.84Å
1137E90.6Very high89.9Confident112 Ų11251.6 Ų51.652%0.52329%0.285SS..Hα-helixtrans-65.1-43.9176.9-74.1162.3140.800111.2C1133 S1134 G1139 H1140 A1141C1133-E1137 HydrophobicContact CB-CB 4.47Å; S1134-E1137 WeakPolarHBondContact CB-OE2 3.3Å; S1134-E1137 PolarHBondContact N-OE2 2.86Å; S1134-E1137 PolarHBondContact O-N 2.87Å; S1134-E1137 VanDerWaalsContact O-N 3.08Å; S1134-E1137 WeakPolarHBondContact OG-CB 3.48Å; S1134-E1137 WeakPolarHBondContact OG-CG 3.45Å; S1134-E1137 PolarHBondContact OG-N 3.4Å; S1134-E1137 PolarHBondContact OG-OE2 2.98Å; E1137-G1139 PolarHBondContact O-N 2.9Å; E1137-H1140 PolarHBondContact O-N 2.87Å; E1137-A1141 VanDerWaalsContact O-CB 3.32Å; E1137-A1141 WeakPolarHBondContact O-CB 3.29Å; E1137-A1141 PolarHBondContact O-N 3.03Å
1138V92.1Very high89Confident14 Ų1456.9 Ų56.99%0.08532%0.321CS..Hα-helixtrans-59.8-47.1174.4177.90000110.6F1084 L1128 L1131 C1133 S1134 A1141 L1142F1084-V1138 HydrophobicContact CE1-CG1 4.19Å; L1128-V1138 HydrophobicContact CB-CG1 4.33Å; L1128-V1138 HydrophobicContact CD2-CG1 3.78Å; L1131-V1138 HydrophobicContact CD1-CG2 3.96Å; C1133-V1138 WeakPolarHBondContact SG-CG2 3.4Å; S1134-V1138 PolarHBondContact O-N 3.24Å; S1134-V1138 VanDerWaalsContact O-N 3.12Å; V1138-A1141 PolarHBondContact O-N 3.12Å; V1138-L1142 HydrophobicContact CG1-CD1 4.19Å; V1138-L1142 WeakPolarHBondContact O-CG 3.16Å; V1138-L1142 PolarHBondContact O-N 3.5Å
1139G92.6Very high87.5Confident29 Ų2962.8 Ų62.830%0.29934%0.341SS..Hα-helixtrans-59.9-47.2177.800000112.8T1135 S1136 E1137 A1141 L1142 I1143T1135-G1139 PolarHBondContact O-N 3.31Å; S1136-G1139 PolarHBondContact O-N 3.32Å; E1137-G1139 PolarHBondContact O-N 2.9Å; G1139-A1141 PolarHBondContact O-N 3.22Å; G1139-L1142 PolarHBondContact O-N 3.27Å; G1139-I1143 VanDerWaalsContact O-CG1 3.31Å; G1139-I1143 WeakPolarHBondContact O-CG1 3.47Å; G1139-I1143 PolarHBondContact O-N 3.38Å
1140H93.3Very high87.2Confident109 Ų10963.5 Ų63.551%0.50535%0.346SS..Hα-helixtrans-63.7-39.6176-68.4148.1000112.3S1136 E1137 I1143 N1144S1136-H1140 WeakPolarHBondContact O-CB 3.37Å; S1136-H1140 PolarHBondContact O-N 3.07Å; S1136-H1140 PolarHBondContact O-ND1 3.31Å; S1136-H1140 PolarHBondContact OG-CE1 3.45Å; S1136-H1140 PolarHBondContact OG-ND1 2.84Å; E1137-H1140 PolarHBondContact O-N 2.87Å; H1140-I1143 PolarHBondContact O-N 3.34Å; H1140-N1144 VanDerWaalsContact O-CB 3.27Å; H1140-N1144 WeakPolarHBondContact O-CB 3.36Å; H1140-N1144 PolarHBondContact O-N 3.08Å; H1140-N1144 PolarHBondContact O-ND2 2.95Å
1141A92.6Very high86.9Confident11 Ų1166.8 Ų66.89%0.09137%0.365CS..Hα-helixtrans-62.8-43.5177.400000111.7M1081 F1084 E1137 V1138 G1139 N1144 L1145M1081-A1141 HydrophobicContact CE-CB 4.37Å; F1084-A1141 HydrophobicContact CD1-CB 4.3Å; F1084-A1141 HydrophobicContact CD2-CB 3.59Å; F1084-A1141 HydrophobicContact CE1-CB 4.2Å; F1084-A1141 HydrophobicContact CE2-CB 3.48Å; F1084-A1141 VanDerWaalsContact CE2-CB 3.48Å; F1084-A1141 HydrophobicContact CG-CB 4.02Å; F1084-A1141 HydrophobicContact CZ-CB 3.8Å; E1137-A1141 VanDerWaalsContact O-CB 3.32Å; E1137-A1141 WeakPolarHBondContact O-CB 3.29Å; E1137-A1141 PolarHBondContact O-N 3.03Å; V1138-A1141 PolarHBondContact O-N 3.12Å; G1139-A1141 PolarHBondContact O-N 3.22Å; A1141-N1144 PolarHBondContact O-N 3.4Å; A1141-L1145 WeakPolarHBondContact O-CB 3.45Å; A1141-L1145 PolarHBondContact O-N 3.26Å
1142L92.6Very high86.6Confident32 Ų3270.4 Ų70.417%0.16839%0.385CS..Hα-helixtrans-64.8-45.6175.9-67.5175.8000111.9F1084 I1088 L1128 V1138 G1139 N1144 L1145 F1146F1084-L1142 HydrophobicContact CD1-CD2 4.27Å; I1088-L1142 HydrophobicContact CD1-CD2 3.78Å; I1088-L1142 HydrophobicContact CG1-CD2 3.93Å; L1128-L1142 HydrophobicContact CD1-CD1 4.05Å; L1128-L1142 HydrophobicContact CD2-CD1 4.39Å; L1128-L1142 HydrophobicContact CD2-CD2 4.46Å; V1138-L1142 HydrophobicContact CG1-CD1 4.19Å; V1138-L1142 WeakPolarHBondContact O-CG 3.16Å; V1138-L1142 PolarHBondContact O-N 3.5Å; G1139-L1142 PolarHBondContact O-N 3.27Å; L1142-N1144 PolarHBondContact O-N 3.2Å; L1142-L1145 WeakPolarHBondContact O-CB 3.34Å; L1142-L1145 PolarHBondContact O-N 3.31Å; L1142-F1146 HydrophobicContact CB-CE2 4.37Å; L1142-F1146 WeakPolarHBondContact O-CD2 3.33Å; L1142-F1146 WeakPolarHBondContact O-CG 3.42Å; L1142-F1146 PolarHBondContact O-N 3.24Å
1143I91.2Very high86.6Confident94 Ų9472.4 Ų72.448%0.48239%0.393SS..Hα-helixtrans-60.9-46.1176.7-68.6167.3000110.6G1139 H1140 L1145 F1146 L1147G1139-I1143 VanDerWaalsContact O-CG1 3.31Å; G1139-I1143 WeakPolarHBondContact O-CG1 3.47Å; G1139-I1143 PolarHBondContact O-N 3.38Å; H1140-I1143 PolarHBondContact O-N 3.34Å; I1143-L1145 VanDerWaalsContact C-N 3.34Å; I1143-L1145 PolarHBondContact O-N 2.88Å; I1143-F1146 PolarHBondContact O-N 3.2Å; I1143-L1147 HydrophobicContact CG2-CD1 3.89Å; I1143-L1147 HydrophobicContact CG2-CG 4.3Å; I1143-L1147 WeakPolarHBondContact O-CG 3.43Å; I1143-L1147 PolarHBondContact O-N 2.95Å
1144N90.6Very high86.6Confident81 Ų8174.9 Ų74.943%0.43340%0.404SS..Hα-helixtrans-62.2-41.8178.3-75.1-21.2000111.7M1081 H1140 A1141 L1142 F1146 L1147 C1148M1081-N1144 HydrophobicContact CE-CB 3.84Å; H1140-N1144 VanDerWaalsContact O-CB 3.27Å; H1140-N1144 WeakPolarHBondContact O-CB 3.36Å; H1140-N1144 PolarHBondContact O-N 3.08Å; H1140-N1144 PolarHBondContact O-ND2 2.95Å; A1141-N1144 PolarHBondContact O-N 3.4Å; L1142-N1144 PolarHBondContact O-N 3.2Å; N1144-F1146 VanDerWaalsContact C-N 3.32Å; N1144-F1146 PolarHBondContact O-N 2.91Å; N1144-L1147 PolarHBondContact O-N 2.95Å; N1144-C1148 WeakPolarHBondContact O-CB 3.27Å; N1144-C1148 PolarHBondContact O-N 3.33Å; N1144-C1148 PolarHBondContact O-SG 3.28Å
1145L88.4Confident86.6Confident7 Ų776.3 Ų76.34%0.03741%0.406CS..Hα-helixtrans-57.8-46174-176.468.9000111.1M1081 F1084 A1085 I1088 A1141 L1142 I1143 L1147 C1148 W1149M1081-L1145 HydrophobicContact SD-CB 3.96Å; M1081-L1145 HydrophobicContact SD-CD1 4.29Å; F1084-L1145 HydrophobicContact CB-CD2 4.48Å; A1085-L1145 HydrophobicContact CB-CD1 3.75Å; I1088-L1145 HydrophobicContact CB-CD2 3.97Å; I1088-L1145 HydrophobicContact CG1-CD2 3.73Å; A1141-L1145 WeakPolarHBondContact O-CB 3.45Å; A1141-L1145 PolarHBondContact O-N 3.26Å; L1142-L1145 WeakPolarHBondContact O-CB 3.34Å; L1142-L1145 PolarHBondContact O-N 3.31Å; I1143-L1145 VanDerWaalsContact C-N 3.34Å; I1143-L1145 PolarHBondContact O-N 2.88Å; L1145-L1147 VanDerWaalsContact C-N 3.33Å; L1145-L1147 PolarHBondContact O-N 3.12Å; L1145-C1148 PolarHBondContact O-N 3.46Å; L1145-W1149 HydrophobicContact CD1-CD2 4.47Å; L1145-W1149 HydrophobicContact CD1-CZ2 4.05Å; L1145-W1149 HydrophobicContact CD2-CH2 4.14Å; L1145-W1149 HydrophobicContact CD2-CZ2 4.1Å; L1145-W1149 HydrophobicContact CG-CD2 4.26Å; L1145-W1149 HydrophobicContact CG-CZ2 4.16Å; L1145-W1149 PolarHBondContact O-N 3.15Å
1146F79.9Confident86.7Confident119 Ų11976.1 Ų76.152%0.52240%0.4SS..Hα-helixtrans-67.9-27.4177.7-71.1-56.6000114.2L1142 I1143 N1144 W1149L1142-F1146 HydrophobicContact CB-CE2 4.37Å; L1142-F1146 WeakPolarHBondContact O-CD2 3.33Å; L1142-F1146 WeakPolarHBondContact O-CG 3.42Å; L1142-F1146 PolarHBondContact O-N 3.24Å; I1143-F1146 PolarHBondContact O-N 3.2Å; N1144-F1146 VanDerWaalsContact C-N 3.32Å; N1144-F1146 PolarHBondContact O-N 2.91Å; F1146-W1149 HydrophobicContact CD1-CE3 4.4Å
1147L79.4Confident86.4Confident131 Ų13177 Ų7769%0.68640%0.396SS*.Hα-helixtrans-80.3-25.8174.8-69.9173.1000112.5I1143 N1144 L1145I1143-L1147 HydrophobicContact CG2-CD1 3.89Å; I1143-L1147 HydrophobicContact CG2-CG 4.3Å; I1143-L1147 WeakPolarHBondContact O-CG 3.43Å; I1143-L1147 PolarHBondContact O-N 2.95Å; N1144-L1147 PolarHBondContact O-N 2.95Å; L1145-L1147 VanDerWaalsContact C-N 3.33Å; L1145-L1147 PolarHBondContact O-N 3.12Å
1148C75.9Confident86.1Confident111 Ų11174.1 Ų74.175%0.7539%0.386SS*.Hα-helixtrans-83.1-26.8176-70.80000113.2N1144 L1145N1144-C1148 WeakPolarHBondContact O-CB 3.27Å; N1144-C1148 PolarHBondContact O-N 3.33Å; N1144-C1148 PolarHBondContact O-SG 3.28Å; L1145-C1148 PolarHBondContact O-N 3.46Å
1149W64.7Low85.5Confident151 Ų15179.5 Ų79.557%0.57241%0.413SS*.  trans-78.70170.3-75.3-3.7000111.1I1088 L1145 F1146I1088-W1149 HydrophobicContact CB-CH2 3.84Å; I1088-W1149 HydrophobicContact CB-CZ3 4.32Å; I1088-W1149 HydrophobicContact CG2-CH2 3.45Å; I1088-W1149 VanDerWaalsContact CG2-CH2 3.45Å; I1088-W1149 HydrophobicContact CG2-CZ3 3.47Å; I1088-W1149 VanDerWaalsContact CG2-CZ3 3.47Å; L1145-W1149 HydrophobicContact CD1-CD2 4.47Å; L1145-W1149 HydrophobicContact CD1-CZ2 4.05Å; L1145-W1149 HydrophobicContact CD2-CH2 4.14Å; L1145-W1149 HydrophobicContact CD2-CZ2 4.1Å; L1145-W1149 HydrophobicContact CG-CD2 4.26Å; L1145-W1149 HydrophobicContact CG-CZ2 4.16Å; L1145-W1149 PolarHBondContact O-N 3.15Å; F1146-W1149 HydrophobicContact CD1-CE3 4.4Å

Retrieved 1,149 of 1,149 residues in 7845.9 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).