A0A077ZH12_TRITR Loading...

Lysine specific demethylase 6a

AlphaFold DB , UniProt , Accession A0A077ZH12, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,078 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
1M68.9Low79.9Confident197 Ų19790.6 Ų90.697%0.9743%0.433SS*.  0-37.20-73163.977.200113.4V3 K4M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 2.85Å; M1-V3 VanDerWaalsContact O-N 3.08Å; M1-K4 PolarHBondContact O-N 2.98Å
2V74Confident80.3Confident23 Ų2390 Ų9014%0.13943%0.427CS..Hα-helixtrans-36.4-50.8-176.2-175.80000115.6K4 A5 L6 F46 L49 I50V2-K4 VanDerWaalsContact C-N 3.26Å; V2-K4 PolarHBondContact O-N 3.16Å; V2-A5 CarbonylContact O-C 3.6Å; V2-A5 WeakPolarHBondContact O-CA 3.35Å; V2-A5 WeakPolarHBondContact O-CB 3.34Å; V2-A5 PolarHBondContact O-N 3.31Å; V2-L6 HydrophobicContact CG1-CD1 4.19Å; V2-L6 HydrophobicContact CG1-CG 4.47Å; V2-L6 PolarHBondContact O-N 2.9Å; V2-F46 HydrophobicContact CG1-CB 4.05Å; V2-F46 HydrophobicContact CG1-CD1 4.01Å; V2-F46 HydrophobicContact CG1-CG 4.43Å; V2-L49 HydrophobicContact CG1-CB 3.95Å; V2-L49 HydrophobicContact CG2-CB 4.18Å; V2-L49 HydrophobicContact CG2-CD1 4.3Å; V2-I50 HydrophobicContact CB-CG2 4.42Å; V2-I50 HydrophobicContact CG1-CG2 3.71Å
3V73.7Confident80.6Confident75 Ų7586 Ų8646%0.45541%0.405SS..Hα-helixtrans-58.9-31.2-178.7-179.10000113.8M1 K7 I50M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 2.85Å; M1-V3 VanDerWaalsContact O-N 3.08Å; V3-K7 PolarHBondContact O-N 2.9Å; V3-I50 HydrophobicContact CG2-CG2 4.39Å
4K79.4Confident80.7Confident182 Ų18287.5 Ų87.579%0.79142%0.416SS*.Hα-helixtrans-74-32.6173-67.7-169.4176.6-173.10112.1M1 V2 F8M1-K4 PolarHBondContact O-N 2.98Å; V2-K4 VanDerWaalsContact C-N 3.26Å; V2-K4 PolarHBondContact O-N 3.16Å; K4-F8 WeakPolarHBondContact O-CB 3.42Å; K4-F8 PolarHBondContact O-N 3.23Å
5A77.7Confident80.8Confident25 Ų2588.5 Ų88.521%0.20742%0.42CS..Hα-helixtrans-70.6-43.3174.400000111.1V2 F8 Y9 F46V2-A5 CarbonylContact O-C 3.6Å; V2-A5 WeakPolarHBondContact O-CA 3.35Å; V2-A5 WeakPolarHBondContact O-CB 3.34Å; V2-A5 PolarHBondContact O-N 3.31Å; A5-F8 PolarHBondContact O-N 2.86Å; A5-Y9 VanDerWaalsContact O-CD2 3.25Å; A5-Y9 WeakPolarHBondContact O-CD2 3.42Å; A5-Y9 PolarHBondContact O-N 3.26Å; A5-F46 HydrophobicContact CB-CD1 4.3Å; A5-F46 HydrophobicContact CB-CD2 4.14Å; A5-F46 HydrophobicContact CB-CE1 4.01Å; A5-F46 HydrophobicContact CB-CE2 3.87Å; A5-F46 HydrophobicContact CB-CG 4.37Å; A5-F46 HydrophobicContact CB-CZ 3.8Å
6L80.1Confident80.8Confident7 Ų786.1 Ų86.14%0.03741%0.41CS..Hα-helixtrans-51.3-60.2172-81.2166.2000110.8V2 F8 Y9 E10 L43 F46 I50V2-L6 HydrophobicContact CG1-CD1 4.19Å; V2-L6 HydrophobicContact CG1-CG 4.47Å; V2-L6 PolarHBondContact O-N 2.9Å; L6-F8 PolarHBondContact O-N 3.46Å; L6-F8 VanDerWaalsContact O-N 3.12Å; L6-Y9 CarbonylContact O-C 3.57Å; L6-Y9 PolarHBondContact O-N 3.27Å; L6-E10 WeakPolarHBondContact O-CB 3.45Å; L6-E10 VanDerWaalsContact O-CG 3.28Å; L6-E10 WeakPolarHBondContact O-CG 3.47Å; L6-E10 PolarHBondContact O-N 3.36Å; L6-L43 HydrophobicContact CD2-CD2 4.31Å; L6-F46 HydrophobicContact CD2-CB 3.55Å; L6-F46 HydrophobicContact CG-CB 3.72Å; L6-I50 HydrophobicContact CD1-CB 4.43Å; L6-I50 HydrophobicContact CD1-CD1 3.52Å; L6-I50 HydrophobicContact CD1-CG1 3.83Å; L6-I50 HydrophobicContact CD1-CG2 3.74Å
7K80.6Confident80.5Confident142 Ų14283.8 Ų83.862%0.61740%0.397SS*.Hα-helixtrans-54.7-37.2179.9-70.6-171.2174.5-164.40113.4V3 E10 Q11V3-K7 PolarHBondContact O-N 2.9Å; K7-E10 PolarHBondContact N-OE2 3.38Å; K7-Q11 WeakPolarHBondContact O-CB 3.24Å; K7-Q11 PolarHBondContact O-N 3.42Å
8F87.4Confident80Confident104 Ų10482.5 Ų82.546%0.45640%0.395SS..Hα-helixtrans-67.8-43.6175.8174-96.8000113.1K4 A5 L6 K12K4-F8 WeakPolarHBondContact O-CB 3.42Å; K4-F8 PolarHBondContact O-N 3.23Å; A5-F8 PolarHBondContact O-N 2.86Å; L6-F8 PolarHBondContact O-N 3.46Å; L6-F8 VanDerWaalsContact O-N 3.12Å; F8-K12 HydrophobicContact CE1-CD 3.98Å; F8-K12 HydrophobicContact CZ-CD 3.93Å; F8-K12 WeakPolarHBondContact O-CB 3.31Å; F8-K12 PolarHBondContact O-N 3.22Å
9Y85.3Confident79.4Confident59 Ų5981.9 Ų81.923%0.23140%0.399CS..Hα-helixtrans-77.1-29.3177.7-76.3-77.7000112.7A5 L6 W13 I39 K42 F46A5-Y9 VanDerWaalsContact O-CD2 3.25Å; A5-Y9 WeakPolarHBondContact O-CD2 3.42Å; A5-Y9 PolarHBondContact O-N 3.26Å; L6-Y9 CarbonylContact O-C 3.57Å; L6-Y9 PolarHBondContact O-N 3.27Å; Y9-W13 WeakPolarHBondContact O-CB 3.03Å; Y9-W13 PolarHBondContact O-N 2.76Å; Y9-I39 HydrophobicContact CD1-CG1 4.37Å; Y9-I39 HydrophobicContact CD1-CG2 4.22Å; Y9-K42 HydrophobicContact CD1-CB 3.98Å; Y9-K42 HydrophobicContact CD1-CG 4.44Å; Y9-K42 HydrophobicContact CD2-CB 4.27Å; Y9-K42 HydrophobicContact CE1-CB 3.94Å; Y9-K42 HydrophobicContact CE1-CG 3.9Å; Y9-K42 HydrophobicContact CE2-CB 4.28Å; Y9-K42 HydrophobicContact CG-CB 4.16Å; Y9-F46 AromaticContact CD2-CD2 3.96Å; Y9-F46 HydrophobicContact CD2-CD2 3.96Å; Y9-F46 AromaticContact CD2-CE2 3.57Å; Y9-F46 HydrophobicContact CD2-CE2 3.57Å; Y9-F46 HydrophobicContact CE2-CD2 4.35Å; Y9-F46 AromaticContact CE2-CE2 3.5Å; Y9-F46 HydrophobicContact CE2-CE2 3.5Å; Y9-F46 HydrophobicContact CE2-CZ 4.31Å
10E86.9Confident78.7Confident69 Ų6979.4 Ų79.432%0.32239%0.387SS..Hα-helixtrans-67.7-45.1171.6-71.2172.5139.700110.4L6 K7 W13 L14 L43L6-E10 WeakPolarHBondContact O-CB 3.45Å; L6-E10 VanDerWaalsContact O-CG 3.28Å; L6-E10 WeakPolarHBondContact O-CG 3.47Å; L6-E10 PolarHBondContact O-N 3.36Å; K7-E10 PolarHBondContact N-OE2 3.38Å; E10-W13 WeakPolarHBondContact O-CB 3.49Å; E10-W13 PolarHBondContact O-N 3.38Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 2.74Å; E10-L43 HydrophobicContact CG-CD2 3.69Å
11Q85Confident78.1Confident114 Ų11482.4 Ų82.453%0.53340%0.395SS..Hα-helixtrans-61.1-49.6173-178.7-179.9-22.400111K7 W13 L14 E15K7-Q11 WeakPolarHBondContact O-CB 3.24Å; K7-Q11 PolarHBondContact O-N 3.42Å; Q11-W13 VanDerWaalsContact C-N 3.27Å; Q11-W13 PolarHBondContact O-N 2.91Å; Q11-L14 PolarHBondContact O-N 3.26Å; Q11-L14 VanDerWaalsContact O-N 3.11Å; Q11-E15 HydrophobicContact CG-CG 4.33Å; Q11-E15 WeakPolarHBondContact CG-OE1 3.3Å; Q11-E15 PolarHBondContact NE2-OE1 2.98Å; Q11-E15 WeakPolarHBondContact O-CG 3.16Å; Q11-E15 PolarHBondContact O-N 2.79Å
12K85.3Confident77.5Confident83 Ų8379 Ų7936%0.36138%0.38SS..Hα-helixtrans-60.4-35.4175.7-83.9-161.5163.4-155.90113.6F8 L16 I39F8-K12 HydrophobicContact CE1-CD 3.98Å; F8-K12 HydrophobicContact CZ-CD 3.93Å; F8-K12 WeakPolarHBondContact O-CB 3.31Å; F8-K12 PolarHBondContact O-N 3.22Å; K12-L16 WeakPolarHBondContact O-CB 3.42Å; K12-L16 WeakPolarHBondContact O-CG 3.44Å; K12-L16 PolarHBondContact O-N 3.44Å; K12-L16 VanDerWaalsContact O-N 3.14Å; K12-I39 HydrophobicContact CB-CD1 4.34Å
13W84Confident76.5Confident38 Ų3883.2 Ų83.214%0.14440%0.398CS..Hα-helixtrans-63.2-45.8173.9178.4-94.2000110.8Y9 E10 Q11 L16 Y17 L36 I39 A40 L43 F62Y9-W13 WeakPolarHBondContact O-CB 3.03Å; Y9-W13 PolarHBondContact O-N 2.76Å; E10-W13 WeakPolarHBondContact O-CB 3.49Å; E10-W13 PolarHBondContact O-N 3.38Å; Q11-W13 VanDerWaalsContact C-N 3.27Å; Q11-W13 PolarHBondContact O-N 2.91Å; W13-L16 PolarHBondContact O-N 2.77Å; W13-Y17 AromaticContact CE2-CD1 3.97Å; W13-Y17 AromaticContact CE2-CG 3.85Å; W13-Y17 HydrophobicContact CH2-CD2 4.2Å; W13-Y17 HydrophobicContact CH2-CE2 4.48Å; W13-Y17 HydrophobicContact CH2-CG 4.48Å; W13-Y17 AromaticContact CZ2-CD1 4Å; W13-Y17 HydrophobicContact CZ2-CD1 4Å; W13-Y17 AromaticContact CZ2-CD2 3.91Å; W13-Y17 HydrophobicContact CZ2-CD2 3.91Å; W13-Y17 HydrophobicContact CZ2-CE1 4.23Å; W13-Y17 HydrophobicContact CZ2-CE2 4.16Å; W13-Y17 AromaticContact CZ2-CG 3.82Å; W13-Y17 HydrophobicContact CZ2-CG 3.82Å; W13-Y17 AromaticContact NE1-CD1 3.74Å; W13-Y17 AromaticContact NE1-CG 3.99Å; W13-Y17 WeakPolarHBondContact O-CA 3.39Å; W13-Y17 WeakPolarHBondContact O-CB 3.32Å; W13-Y17 PolarHBondContact O-N 2.89Å; W13-L36 HydrophobicContact CE3-CD2 3.99Å; W13-L36 HydrophobicContact CZ3-CB 4.06Å; W13-L36 HydrophobicContact CZ3-CD2 3.89Å; W13-I39 HydrophobicContact CB-CG2 4.02Å; W13-I39 HydrophobicContact CE3-CB 4.39Å; W13-I39 HydrophobicContact CE3-CG2 3.88Å; W13-A40 HydrophobicContact CH2-CB 4.38Å; W13-A40 HydrophobicContact CZ3-CB 3.87Å; W13-L43 HydrophobicContact CB-CD1 4Å; W13-L43 HydrophobicContact CD2-CD1 4.32Å; W13-L43 HydrophobicContact CE3-CD1 4.43Å; W13-L43 HydrophobicContact CG-CD1 4.16Å; W13-F62 AromaticContact CH2-CD1 3.79Å; W13-F62 HydrophobicContact CH2-CD1 3.79Å; W13-F62 AromaticContact CH2-CD2 3.89Å; W13-F62 HydrophobicContact CH2-CD2 3.89Å; W13-F62 AromaticContact CH2-CE1 3.69Å; W13-F62 HydrophobicContact CH2-CE1 3.69Å; W13-F62 AromaticContact CH2-CE2 3.77Å; W13-F62 HydrophobicContact CH2-CE2 3.77Å; W13-F62 AromaticContact CH2-CG 3.9Å; W13-F62 HydrophobicContact CH2-CG 3.9Å; W13-F62 AromaticContact CH2-CZ 3.68Å; W13-F62 HydrophobicContact CH2-CZ 3.68Å; W13-F62 HydrophobicContact CZ2-CD2 4.45Å; W13-F62 HydrophobicContact CZ2-CE2 4.41Å; W13-F62 HydrophobicContact CZ3-CD1 4.21Å; W13-F62 HydrophobicContact CZ3-CE1 4.02Å; W13-F62 HydrophobicContact CZ3-CZ 4.35Å
14L82Confident75Confident107 Ų10784.3 Ų84.356%0.5642%0.415SS*.Hα-helixtrans-63.3-45.6175.5-68.2168.4000112.3E10 Q11 L16 V18E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 2.74Å; Q11-L14 PolarHBondContact O-N 3.26Å; Q11-L14 VanDerWaalsContact O-N 3.11Å; L14-L16 PolarHBondContact O-N 2.67Å; L14-V18 HydrophobicContact CB-CG2 4.49Å; L14-V18 HydrophobicContact CD2-CG2 3.94Å; L14-V18 VanDerWaalsContact O-CB 3.31Å; L14-V18 WeakPolarHBondContact O-CB 3.46Å; L14-V18 WeakPolarHBondContact O-CG2 3.18Å; L14-V18 PolarHBondContact O-N 2.85Å
15E81.8Confident73.5Confident103 Ų10383.5 Ų83.548%0.48142%0.419SS..Hα-helixtrans-57.9-32.1178.6-74169.617600113.4Q11 P19Q11-E15 HydrophobicContact CG-CG 4.33Å; Q11-E15 WeakPolarHBondContact CG-OE1 3.3Å; Q11-E15 PolarHBondContact NE2-OE1 2.98Å; Q11-E15 WeakPolarHBondContact O-CG 3.16Å; Q11-E15 PolarHBondContact O-N 2.79Å; E15-P19 WeakPolarHBondContact O-CD 3.49Å; E15-P19 WeakPolarHBondContact O-CG 3.43Å
16L80.6Confident71.8Confident50 Ų5085.3 Ų85.326%0.26243%0.43SS..Hα-helixtrans-102.1-46-176.2-67.2166.8000113K12 W13 L14 L20 M35 L36 I39K12-L16 WeakPolarHBondContact O-CB 3.42Å; K12-L16 WeakPolarHBondContact O-CG 3.44Å; K12-L16 PolarHBondContact O-N 3.44Å; K12-L16 VanDerWaalsContact O-N 3.14Å; W13-L16 PolarHBondContact O-N 2.77Å; L14-L16 PolarHBondContact O-N 2.67Å; L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.47Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-M35 HydrophobicContact CD1-CE 3.86Å; L16-M35 HydrophobicContact CD1-CG 4.41Å; L16-M35 HydrophobicContact CD1-SD 4.11Å; L16-M35 HydrophobicContact CD2-CE 3.78Å; L16-M35 HydrophobicContact CG-CE 4.43Å; L16-L36 HydrophobicContact CB-CD2 4.15Å; L16-I39 HydrophobicContact CD1-CD1 3.43Å; L16-I39 VanDerWaalsContact CD1-CD1 3.43Å
17Y76.5Confident70.6Confident46 Ų4694.3 Ų94.318%0.1847%0.469CS..Hα-helixtrans-76-34.6-173.6-172-111.2000113W13 L20 R21 L36 F62W13-Y17 AromaticContact CE2-CD1 3.97Å; W13-Y17 AromaticContact CE2-CG 3.85Å; W13-Y17 HydrophobicContact CH2-CD2 4.2Å; W13-Y17 HydrophobicContact CH2-CE2 4.48Å; W13-Y17 HydrophobicContact CH2-CG 4.48Å; W13-Y17 AromaticContact CZ2-CD1 4Å; W13-Y17 HydrophobicContact CZ2-CD1 4Å; W13-Y17 AromaticContact CZ2-CD2 3.91Å; W13-Y17 HydrophobicContact CZ2-CD2 3.91Å; W13-Y17 HydrophobicContact CZ2-CE1 4.23Å; W13-Y17 HydrophobicContact CZ2-CE2 4.16Å; W13-Y17 AromaticContact CZ2-CG 3.82Å; W13-Y17 HydrophobicContact CZ2-CG 3.82Å; W13-Y17 AromaticContact NE1-CD1 3.74Å; W13-Y17 AromaticContact NE1-CG 3.99Å; W13-Y17 WeakPolarHBondContact O-CA 3.39Å; W13-Y17 WeakPolarHBondContact O-CB 3.32Å; W13-Y17 PolarHBondContact O-N 2.89Å; Y17-L20 PolarHBondContact O-N 3.2Å; Y17-R21 VanDerWaalsContact O-CB 3.31Å; Y17-R21 WeakPolarHBondContact O-CB 3.33Å; Y17-R21 PolarHBondContact O-N 2.97Å; Y17-L36 HydrophobicContact CD2-CD1 4.04Å; Y17-L36 HydrophobicContact CD2-CD2 4.22Å; Y17-F62 HydrophobicContact CE2-CE2 4.12Å
18V71.7Confident69.4Low61 Ų6189.9 Ų89.937%0.3745%0.452SS..Hα-helixtrans-68.1-46.3-177.91790000112L14 L20 R21 N22L14-V18 HydrophobicContact CB-CG2 4.49Å; L14-V18 HydrophobicContact CD2-CG2 3.94Å; L14-V18 VanDerWaalsContact O-CB 3.31Å; L14-V18 WeakPolarHBondContact O-CB 3.46Å; L14-V18 WeakPolarHBondContact O-CG2 3.18Å; L14-V18 PolarHBondContact O-N 2.85Å; V18-L20 VanDerWaalsContact C-N 3.35Å; V18-L20 PolarHBondContact O-N 3.46Å; V18-R21 PolarHBondContact O-N 3.22Å; V18-N22 WeakPolarHBondContact O-CB 3.39Å; V18-N22 PolarHBondContact O-N 2.86Å; V18-N22 VanDerWaalsContact O-N 3.1Å; V18-N22 PolarHBondContact O-ND2 3.07Å
19P68.3Low68Low71 Ų7191 Ų9146%0.46146%0.459SS..Hα-helixtrans-59.6-42.6173.8-25.736.2000113.2E15 N22E15-P19 WeakPolarHBondContact O-CD 3.49Å; E15-P19 WeakPolarHBondContact O-CG 3.43Å; P19-N22 PolarHBondContact O-N 3.34Å
20L65.7Low66.8Low32 Ų3294.9 Ų94.917%0.16848%0.478CS..Hα-helixtrans-65.7-43.7179.9-70.8168.3000111.9L16 Y17 V18 N22 Q23 L28 D32 L36L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.47Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; Y17-L20 PolarHBondContact O-N 3.2Å; V18-L20 VanDerWaalsContact C-N 3.35Å; V18-L20 PolarHBondContact O-N 3.46Å; L20-N22 VanDerWaalsContact C-N 3.31Å; L20-N22 PolarHBondContact O-N 2.92Å; L20-Q23 PolarHBondContact O-N 3.31Å; L20-L28 HydrophobicContact CB-CD2 3.9Å; L20-L28 HydrophobicContact CD1-CD2 3.73Å; L20-L28 HydrophobicContact CD2-CD2 4.22Å; L20-L28 HydrophobicContact CG-CD2 4.16Å; L20-D32 HydrophobicContact CD1-CB 4.12Å; L20-L36 HydrophobicContact CD1-CD1 3.98Å
21R64.8Low65.7Low143 Ų14399.1 Ų99.154%0.5450%0.496SS..Hα-helixtrans-68.3-27.5178.1-170.1178.9-176-1663.2113.3Y17 V18 Q23Y17-R21 VanDerWaalsContact O-CB 3.31Å; Y17-R21 WeakPolarHBondContact O-CB 3.33Å; Y17-R21 PolarHBondContact O-N 2.97Å; V18-R21 PolarHBondContact O-N 3.22Å; R21-Q23 VanDerWaalsContact C-N 3.28Å; R21-Q23 PolarHBondContact O-N 3.3Å
22N56.7Low64.7Low125 Ų12595.7 Ų95.767%0.66848%0.481SS*.Hα-helixtrans-76.6-12.3179.3-71.9-9.6000113.3V18 P19 L20 A24V18-N22 WeakPolarHBondContact O-CB 3.39Å; V18-N22 PolarHBondContact O-N 2.86Å; V18-N22 VanDerWaalsContact O-N 3.1Å; V18-N22 PolarHBondContact O-ND2 3.07Å; P19-N22 PolarHBondContact O-N 3.34Å; L20-N22 VanDerWaalsContact C-N 3.31Å; L20-N22 PolarHBondContact O-N 2.92Å; N22-A24 PolarHBondContact O-N 3.38Å
23Q53.3Low64Low112 Ų11293 Ų9352%0.52347%0.471SS..SBendtrans-86.391.8171.1-64.5-176.22.700110.2L20 R21 D25 C26L20-Q23 PolarHBondContact O-N 3.31Å; R21-Q23 VanDerWaalsContact C-N 3.28Å; R21-Q23 PolarHBondContact O-N 3.3Å; Q23-D25 PolarHBondContact O-N 3.39Å; Q23-C26 HydrophobicContact CB-CB 3.6Å; Q23-C26 PolarHBondContact O-N 2.89Å; Q23-C26 PolarHBondContact OE1-SG 2.95Å; Q23-C26 VanDerWaalsContact OE1-SG 3.38Å
24A42.8Very low63.7Low98 Ų9899.5 Ų99.581%0.8150%0.495SS*.THydrogen-bonded Turntrans-54.9-23.4-167.400000116.8N22N22-A24 PolarHBondContact O-N 3.38Å
25D47.9Very low63.7Low164 Ų16498.1 Ų98.188%0.87749%0.487SS*.THydrogen-bonded Turntrans-113.93-179.4-71.4-67.8000114Q23 K27Q23-D25 PolarHBondContact O-N 3.39Å; D25-K27 PolarHBondContact O-N 3.3Å
26C41.4Very low63.8Low63 Ų6393.3 Ų93.343%0.42646%0.464SS..  trans-81.3110.1-173.8-162.30000111.8Q23 L28Q23-C26 HydrophobicContact CB-CB 3.6Å; Q23-C26 PolarHBondContact O-N 2.89Å; Q23-C26 PolarHBondContact OE1-SG 2.95Å; Q23-C26 VanDerWaalsContact OE1-SG 3.38Å; C26-L28 PolarHBondContact O-N 3.49Å; C26-L28 VanDerWaalsContact O-N 3.15Å
27K53.8Low64Low197 Ų19791.1 Ų91.186%0.85745%0.453SS*.  trans-65.8110.9163.1-71.7-178.8178.9177.70108.2D25 E29D25-K27 PolarHBondContact O-N 3.3Å; K27-E29 PolarHBondContact O-N 3.08Å
28L55.6Low64.4Low49 Ų4994 Ų9426%0.25747%0.468SS..  trans-43.1121.8172.7-76.7157.8000110.9L20 C26 N33 L36L20-L28 HydrophobicContact CB-CD2 3.9Å; L20-L28 HydrophobicContact CD1-CD2 3.73Å; L20-L28 HydrophobicContact CD2-CD2 4.22Å; L20-L28 HydrophobicContact CG-CD2 4.16Å; C26-L28 PolarHBondContact O-N 3.49Å; C26-L28 VanDerWaalsContact O-N 3.15Å; L28-N33 WeakPolarHBondContact CB-ND2 3.46Å; L28-N33 WeakPolarHBondContact CB-OD1 3.46Å; L28-N33 PolarHBondContact O-ND2 3.07Å; L28-L36 HydrophobicContact CD2-CD1 3.96Å
29E59.2Low65.2Low128 Ų12891.6 Ų91.660%0.59845%0.453SS*.  trans-62.3149.4175.6-68.8-164174.800110.4K27 K31 D32 N33K27-E29 PolarHBondContact O-N 3.08Å; E29-K31 PolarHBondContact O-N 2.98Å; E29-K31 VanDerWaalsContact O-N 3.1Å; E29-D32 PolarHBondContact O-N 3.47Å; E29-N33 PolarHBondContact O-N 2.96Å; E29-N33 PolarHBondContact O-ND2 3.05Å
30E59.9Low66.1Low139 Ų13988.3 Ų88.365%0.6543%0.432SS*.Hα-helixtrans-55.4-32.1-179.7-171.6174.8-16300112.3R34 Q68E30-R34 WeakPolarHBondContact O-CB 3.42Å; E30-R34 PolarHBondContact O-N 3.15Å; E30-R34 VanDerWaalsContact O-N 3.12Å; E30-Q68 PolarHBondContact OE1-NE2 3.36Å
31K62.4Low67.1Low159 Ų15987.4 Ų87.469%0.69143%0.427SS*.Hα-helixtrans-69-41.8175.6-174.2-175174.7-165.40113.2E29 R34 M35E29-K31 PolarHBondContact O-N 2.98Å; E29-K31 VanDerWaalsContact O-N 3.1Å; K31-R34 PolarHBondContact O-N 3.31Å; K31-M35 PolarHBondContact O-N 3.36Å; K31-M35 VanDerWaalsContact O-N 3.15Å
32D65.2Low68.2Low42 Ų4284.7 Ų84.723%0.22542%0.42CS..Hα-helixtrans-75.5-40.5-179.3-68.7-25.2000111.1L20 E29 R34 M35 L36L20-D32 HydrophobicContact CD1-CB 4.12Å; E29-D32 PolarHBondContact O-N 3.47Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 3.19Å; D32-M35 PolarHBondContact O-N 3.22Å; D32-L36 WeakPolarHBondContact O-CB 3.29Å; D32-L36 WeakPolarHBondContact O-CG 3.35Å; D32-L36 PolarHBondContact O-N 3.17Å
33N71.3Confident69.7Low27 Ų2779.5 Ų79.514%0.14439%0.392CS..Hα-helixtrans-51.7-48.7168.2-78-52.3000110.9L28 E29 M35 L36 C37L28-N33 WeakPolarHBondContact CB-ND2 3.46Å; L28-N33 WeakPolarHBondContact CB-OD1 3.46Å; L28-N33 PolarHBondContact O-ND2 3.07Å; E29-N33 PolarHBondContact O-N 2.96Å; E29-N33 PolarHBondContact O-ND2 3.05Å; N33-M35 PolarHBondContact O-N 3.08Å; N33-L36 PolarHBondContact O-N 3.29Å; N33-C37 WeakPolarHBondContact O-CB 3.23Å; N33-C37 PolarHBondContact O-N 2.91Å; N33-C37 PolarHBondContact O-SG 3.49Å
34R77.5Confident71.1Confident173 Ų17374.2 Ų74.265%0.65337%0.367SS*.Hα-helixtrans-59.1-46.4178.2-179176.2175.5160.30.6112.8E30 K31 D32 C37 E38E30-R34 WeakPolarHBondContact O-CB 3.42Å; E30-R34 PolarHBondContact O-N 3.15Å; E30-R34 VanDerWaalsContact O-N 3.12Å; K31-R34 PolarHBondContact O-N 3.31Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 3.19Å; R34-C37 PolarHBondContact O-N 3.43Å; R34-E38 IonicContact NE-OE1 2.9Å; R34-E38 PolarHBondContact NE-OE1 3.35Å; R34-E38 IonicContact NH2-OE1 3.1Å; R34-E38 WeakPolarHBondContact O-CG 3.47Å; R34-E38 PolarHBondContact O-N 3.03Å
35M81.7Confident73.2Confident79 Ų7971.4 Ų71.439%0.38934%0.337SS..Hα-helixtrans-66.4-40.1179.2-176.9168.155.600112.1L16 K31 D32 N33 E38 I39L16-M35 HydrophobicContact CD1-CE 3.86Å; L16-M35 HydrophobicContact CD1-CG 4.41Å; L16-M35 HydrophobicContact CD1-SD 4.11Å; L16-M35 HydrophobicContact CD2-CE 3.78Å; L16-M35 HydrophobicContact CG-CE 4.43Å; K31-M35 PolarHBondContact O-N 3.36Å; K31-M35 VanDerWaalsContact O-N 3.15Å; D32-M35 PolarHBondContact O-N 3.22Å; N33-M35 PolarHBondContact O-N 3.08Å; M35-E38 PolarHBondContact O-N 3.36Å; M35-I39 HydrophobicContact CG-CD1 4.24Å; M35-I39 WeakPolarHBondContact O-CG1 3.46Å; M35-I39 PolarHBondContact O-N 3.41Å
36L83.8Confident75.1Confident1 Ų165.8 Ų65.81%0.00531%0.305CS..Hα-helixtrans-63.3-43173.6-71.4170.1000111.5W13 L16 Y17 L20 L28 D32 N33 E38 I39 A40 F62W13-L36 HydrophobicContact CE3-CD2 3.99Å; W13-L36 HydrophobicContact CZ3-CB 4.06Å; W13-L36 HydrophobicContact CZ3-CD2 3.89Å; L16-L36 HydrophobicContact CB-CD2 4.15Å; Y17-L36 HydrophobicContact CD2-CD1 4.04Å; Y17-L36 HydrophobicContact CD2-CD2 4.22Å; L20-L36 HydrophobicContact CD1-CD1 3.98Å; L28-L36 HydrophobicContact CD2-CD1 3.96Å; D32-L36 WeakPolarHBondContact O-CB 3.29Å; D32-L36 WeakPolarHBondContact O-CG 3.35Å; D32-L36 PolarHBondContact O-N 3.17Å; N33-L36 PolarHBondContact O-N 3.29Å; L36-E38 VanDerWaalsContact C-N 3.34Å; L36-E38 PolarHBondContact O-N 2.96Å; L36-I39 PolarHBondContact O-N 3.06Å; L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 3.5Å; L36-A40 PolarHBondContact O-N 2.75Å; L36-F62 HydrophobicContact CB-CE1 3.93Å; L36-F62 HydrophobicContact CB-CZ 4.15Å
37C84.2Confident77Confident4 Ų463 Ų633%0.02729%0.286CS..Hα-helixtrans-62-37.8174.3-69.70000112.9N33 R34 L41 F66 K67N33-C37 WeakPolarHBondContact O-CB 3.23Å; N33-C37 PolarHBondContact O-N 2.91Å; N33-C37 PolarHBondContact O-SG 3.49Å; R34-C37 PolarHBondContact O-N 3.43Å; C37-L41 VanDerWaalsContact O-CB 3.25Å; C37-L41 WeakPolarHBondContact O-CB 3.29Å; C37-L41 PolarHBondContact O-N 2.75Å; C37-F66 WeakPolarHBondContact SG-CB 3.42Å; C37-K67 HydrophobicContact CB-CB 4.18Å; C37-K67 HydrophobicContact CB-CG 4.45Å; C37-K67 PolarHBondContact SG-N 3.24Å
38E85.9Confident78.3Confident106 Ų10654.1 Ų54.150%0.49525%0.248SC..Hα-helixtrans-66.4-39.6175.1-73.6-179.6-154.800111.3R34 M35 L36 K42R34-E38 IonicContact NE-OE1 2.9Å; R34-E38 PolarHBondContact NE-OE1 3.35Å; R34-E38 IonicContact NH2-OE1 3.1Å; R34-E38 WeakPolarHBondContact O-CG 3.47Å; R34-E38 PolarHBondContact O-N 3.03Å; M35-E38 PolarHBondContact O-N 3.36Å; L36-E38 VanDerWaalsContact C-N 3.34Å; L36-E38 PolarHBondContact O-N 2.96Å; E38-K42 WeakPolarHBondContact O-CG 3.23Å; E38-K42 PolarHBondContact O-N 2.95Å
39I87.5Confident79.4Confident11 Ų1153.7 Ų53.76%0.05625%0.245CC..Hα-helixtrans-67.8-47.6174.5-67.6166.7000111.5Y9 K12 W13 L16 M35 L36 L41 K42 L43Y9-I39 HydrophobicContact CD1-CG1 4.37Å; Y9-I39 HydrophobicContact CD1-CG2 4.22Å; K12-I39 HydrophobicContact CB-CD1 4.34Å; W13-I39 HydrophobicContact CB-CG2 4.02Å; W13-I39 HydrophobicContact CE3-CB 4.39Å; W13-I39 HydrophobicContact CE3-CG2 3.88Å; L16-I39 HydrophobicContact CD1-CD1 3.43Å; L16-I39 VanDerWaalsContact CD1-CD1 3.43Å; M35-I39 HydrophobicContact CG-CD1 4.24Å; M35-I39 WeakPolarHBondContact O-CG1 3.46Å; M35-I39 PolarHBondContact O-N 3.41Å; L36-I39 PolarHBondContact O-N 3.06Å; I39-L41 VanDerWaalsContact C-N 3.29Å; I39-L41 PolarHBondContact O-N 3.5Å; I39-K42 PolarHBondContact O-N 3.19Å; I39-K42 VanDerWaalsContact O-N 3.14Å; I39-L43 HydrophobicContact CG2-CD1 4.11Å; I39-L43 HydrophobicContact CG2-CG 4.44Å; I39-L43 WeakPolarHBondContact O-CG 3.26Å; I39-L43 PolarHBondContact O-N 2.72Å
40A87.1Confident80.2Confident2 Ų250.6 Ų50.62%0.01723%0.232CC..Hα-helixtrans-58.6-40.3176.800000111.4W13 L36 K42 L43 G44 A59 F62W13-A40 HydrophobicContact CH2-CB 4.38Å; W13-A40 HydrophobicContact CZ3-CB 3.87Å; L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 3.5Å; L36-A40 PolarHBondContact O-N 2.75Å; A40-K42 PolarHBondContact O-N 2.77Å; A40-L43 PolarHBondContact O-N 3.11Å; A40-G44 PolarHBondContact O-N 3.37Å; A40-A59 WeakPolarHBondContact O-CB 3.28Å; A40-F62 HydrophobicContact CB-CB 4.43Å; A40-F62 HydrophobicContact CB-CD1 3.67Å; A40-F62 HydrophobicContact CB-CE1 4.44Å; A40-F62 HydrophobicContact CB-CG 4.37Å
41L87.3Confident80.6Confident13 Ų1345.9 Ų45.97%0.06821%0.21CC..Hα-helixtrans-62.9-42.7176.6-177.167.1000111.5C37 I39 G44 H45 Y60 C63 D73 F76C37-L41 VanDerWaalsContact O-CB 3.25Å; C37-L41 WeakPolarHBondContact O-CB 3.29Å; C37-L41 PolarHBondContact O-N 2.75Å; I39-L41 VanDerWaalsContact C-N 3.29Å; I39-L41 PolarHBondContact O-N 3.5Å; L41-G44 PolarHBondContact O-N 3.39Å; L41-H45 WeakPolarHBondContact CD1-CE1 3.35Å; L41-H45 VanDerWaalsContact CD2-CE1 3.41Å; L41-H45 WeakPolarHBondContact CD2-CE1 3.38Å; L41-H45 WeakPolarHBondContact CG-CE1 3.48Å; L41-H45 PolarHBondContact O-N 3.18Å; L41-H45 PolarHBondContact O-ND1 2.83Å; L41-Y60 HydrophobicContact CD1-CD1 4.46Å; L41-Y60 HydrophobicContact CD1-CE1 4.29Å; L41-C63 VanDerWaalsContact CA-SG 3.56Å; L41-C63 PolarHBondContact N-SG 2.76Å; L41-D73 VanDerWaalsContact CD2-OD2 3.28Å; L41-D73 WeakPolarHBondContact CD2-OD2 3.39Å; L41-F76 HydrophobicContact CD1-CB 3.91Å; L41-F76 HydrophobicContact CD1-CD2 4.03Å; L41-F76 HydrophobicContact CD1-CG 4.47Å
42K88.6Confident81.4Confident87 Ų8740 Ų4038%0.37819%0.186SC..Hα-helixtrans-64.9-41.3174.3-64.4-52.3176.6-167.20112Y9 E38 I39 A40 G44 H45 F46Y9-K42 HydrophobicContact CD1-CB 3.98Å; Y9-K42 HydrophobicContact CD1-CG 4.44Å; Y9-K42 HydrophobicContact CD2-CB 4.27Å; Y9-K42 HydrophobicContact CE1-CB 3.94Å; Y9-K42 HydrophobicContact CE1-CG 3.9Å; Y9-K42 HydrophobicContact CE2-CB 4.28Å; Y9-K42 HydrophobicContact CG-CB 4.16Å; E38-K42 WeakPolarHBondContact O-CG 3.23Å; E38-K42 PolarHBondContact O-N 2.95Å; I39-K42 PolarHBondContact O-N 3.19Å; I39-K42 VanDerWaalsContact O-N 3.14Å; A40-K42 PolarHBondContact O-N 2.77Å; K42-G44 VanDerWaalsContact C-N 3.32Å; K42-G44 PolarHBondContact O-N 2.82Å; K42-H45 PolarHBondContact O-N 2.79Å; K42-F46 HydrophobicContact CB-CD2 4.19Å; K42-F46 HydrophobicContact CB-CE2 3.98Å; K42-F46 WeakPolarHBondContact O-CB 3.49Å; K42-F46 WeakPolarHBondContact O-CD2 3.47Å; K42-F46 WeakPolarHBondContact O-CG 3.39Å; K42-F46 PolarHBondContact O-N 2.84Å
43L87.3Confident82Confident16 Ų1639.3 Ų39.38%0.08418%0.181CC..Hα-helixtrans-60.1-41.5172.5-72.9174000111.6L6 E10 W13 I39 A40 F46 N47 A59L6-L43 HydrophobicContact CD2-CD2 4.31Å; E10-L43 HydrophobicContact CG-CD2 3.69Å; W13-L43 HydrophobicContact CB-CD1 4Å; W13-L43 HydrophobicContact CD2-CD1 4.32Å; W13-L43 HydrophobicContact CE3-CD1 4.43Å; W13-L43 HydrophobicContact CG-CD1 4.16Å; I39-L43 HydrophobicContact CG2-CD1 4.11Å; I39-L43 HydrophobicContact CG2-CG 4.44Å; I39-L43 WeakPolarHBondContact O-CG 3.26Å; I39-L43 PolarHBondContact O-N 2.72Å; A40-L43 PolarHBondContact O-N 3.11Å; L43-F46 PolarHBondContact O-N 3.04Å; L43-N47 VanDerWaalsContact O-CB 3.24Å; L43-N47 WeakPolarHBondContact O-CB 3.08Å; L43-N47 PolarHBondContact O-N 3.18Å; L43-N47 PolarHBondContact O-ND2 2.64Å; L43-A59 HydrophobicContact CB-CB 4.24Å
44G83.5Confident82.3Confident0 Ų042.6 Ų42.60%019%0.194CC..Hα-helixtrans-59.2-51.2174.500000112.1A40 L41 K42 F46 N47 L48 Y60A40-G44 PolarHBondContact O-N 3.37Å; L41-G44 PolarHBondContact O-N 3.39Å; K42-G44 VanDerWaalsContact C-N 3.32Å; K42-G44 PolarHBondContact O-N 2.82Å; G44-F46 PolarHBondContact O-N 3.18Å; G44-N47 PolarHBondContact O-N 3.37Å; G44-L48 WeakPolarHBondContact O-CB 3.36Å; G44-L48 PolarHBondContact O-N 3.09Å; G44-Y60 VanDerWaalsContact C-OH 3.24Å; G44-Y60 PolarHBondContact O-OH 2.79Å
45H87.1Confident82.4Confident40 Ų4039.3 Ų39.319%0.18519%0.185CC..Hα-helixtrans-62.6-41.4177.9-67.9146.7000113.1L41 K42 L49 Y60 A75 F76L41-H45 WeakPolarHBondContact CD1-CE1 3.35Å; L41-H45 VanDerWaalsContact CD2-CE1 3.41Å; L41-H45 WeakPolarHBondContact CD2-CE1 3.38Å; L41-H45 WeakPolarHBondContact CG-CE1 3.48Å; L41-H45 PolarHBondContact O-N 3.18Å; L41-H45 PolarHBondContact O-ND1 2.83Å; K42-H45 PolarHBondContact O-N 2.79Å; H45-L49 WeakPolarHBondContact O-CG 3.25Å; H45-L49 PolarHBondContact O-N 3.17Å; H45-L49 VanDerWaalsContact O-N 3.12Å; H45-Y60 PolarHBondContact CD2-OH 2.93Å; H45-Y60 VanDerWaalsContact CD2-OH 3.25Å; H45-Y60 PolarHBondContact N-OH 3.39Å; H45-A75 WeakPolarHBondContact CE1-CB 3.44Å; H45-A75 WeakPolarHBondContact NE2-CA 3.26Å; H45-A75 WeakPolarHBondContact NE2-CB 3.34Å; H45-A75 PolarHBondContact NE2-O 3.16Å; H45-F76 WeakPolarHBondContact NE2-CA 3.33Å; H45-F76 PolarHBondContact NE2-N 3.34Å
46F87.1Confident82.4Confident45 Ų4535.5 Ų35.520%0.19717%0.166CC..Hα-helixtrans-77.5-30.7179.9-65.7-54000113.6V2 A5 L6 Y9 K42 L43 G44 L49 I50V2-F46 HydrophobicContact CG1-CB 4.05Å; V2-F46 HydrophobicContact CG1-CD1 4.01Å; V2-F46 HydrophobicContact CG1-CG 4.43Å; A5-F46 HydrophobicContact CB-CD1 4.3Å; A5-F46 HydrophobicContact CB-CD2 4.14Å; A5-F46 HydrophobicContact CB-CE1 4.01Å; A5-F46 HydrophobicContact CB-CE2 3.87Å; A5-F46 HydrophobicContact CB-CG 4.37Å; A5-F46 HydrophobicContact CB-CZ 3.8Å; L6-F46 HydrophobicContact CD2-CB 3.55Å; L6-F46 HydrophobicContact CG-CB 3.72Å; Y9-F46 AromaticContact CD2-CD2 3.96Å; Y9-F46 HydrophobicContact CD2-CD2 3.96Å; Y9-F46 AromaticContact CD2-CE2 3.57Å; Y9-F46 HydrophobicContact CD2-CE2 3.57Å; Y9-F46 HydrophobicContact CE2-CD2 4.35Å; Y9-F46 AromaticContact CE2-CE2 3.5Å; Y9-F46 HydrophobicContact CE2-CE2 3.5Å; Y9-F46 HydrophobicContact CE2-CZ 4.31Å; K42-F46 HydrophobicContact CB-CD2 4.19Å; K42-F46 HydrophobicContact CB-CE2 3.98Å; K42-F46 WeakPolarHBondContact O-CB 3.49Å; K42-F46 WeakPolarHBondContact O-CD2 3.47Å; K42-F46 WeakPolarHBondContact O-CG 3.39Å; K42-F46 PolarHBondContact O-N 2.84Å; L43-F46 PolarHBondContact O-N 3.04Å; G44-F46 PolarHBondContact O-N 3.18Å; F46-L49 HydrophobicContact CD1-CD1 3.97Å; F46-L49 HydrophobicContact CE1-CD1 4.5Å; F46-L49 PolarHBondContact O-N 2.93Å; F46-I50 PolarHBondContact O-N 2.76Å
47N81.1Confident82.5Confident6 Ų637 Ų373%0.03217%0.174CC..Hα-helixtrans-68.8-38.1171.7-80.3-65.9000111.1L43 G44 L49 I50 H51 D52 K55 A56L43-N47 VanDerWaalsContact O-CB 3.24Å; L43-N47 WeakPolarHBondContact O-CB 3.08Å; L43-N47 PolarHBondContact O-N 3.18Å; L43-N47 PolarHBondContact O-ND2 2.64Å; G44-N47 PolarHBondContact O-N 3.37Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.36Å; N47-I50 CarbonylContact O-C 3.56Å; N47-I50 WeakPolarHBondContact O-CG1 3.26Å; N47-I50 PolarHBondContact O-N 3.41Å; N47-I50 VanDerWaalsContact O-N 3.15Å; N47-H51 PolarHBondContact O-N 3.23Å; N47-D52 HydrophobicContact CB-CB 4.26Å; N47-D52 PolarHBondContact O-N 3.39Å; N47-K55 HydrophobicContact CB-CB 3.98Å; N47-K55 VanDerWaalsContact CG-CB 3.48Å; N47-A56 HydrophobicContact CB-CB 4.06Å
48L81Confident82.5Confident9 Ų939.5 Ų39.55%0.04719%0.192CC..Hα-helixtrans-57.8-42.8170.1-167.374.2000111.6G44 I50 H51 F53 A56 L82 V83 L364G44-L48 WeakPolarHBondContact O-CB 3.36Å; G44-L48 PolarHBondContact O-N 3.09Å; L48-I50 VanDerWaalsContact C-N 3.28Å; L48-I50 PolarHBondContact O-N 3.33Å; L48-H51 PolarHBondContact O-N 2.73Å; L48-F53 HydrophobicContact CD1-CD1 3.78Å; L48-F53 HydrophobicContact CD1-CE1 3.66Å; L48-A56 HydrophobicContact CB-CB 4.32Å; L48-L82 HydrophobicContact CD1-CB 4.2Å; L48-L82 HydrophobicContact CD2-CB 4.44Å; L48-L82 HydrophobicContact CD2-CD1 3.95Å; L48-V83 HydrophobicContact CD1-CG2 3.87Å; L48-L364 HydrophobicContact CD2-CD2 4.29Å
49L78.1Confident82.4Confident40 Ų4035 Ų3521%0.20917%0.173CC..THydrogen-bonded Turntrans-70.3-13.4177.3-76.1166.3000115.2V2 H45 F46 N47 L364V2-L49 HydrophobicContact CG1-CB 3.95Å; V2-L49 HydrophobicContact CG2-CB 4.18Å; V2-L49 HydrophobicContact CG2-CD1 4.3Å; H45-L49 WeakPolarHBondContact O-CG 3.25Å; H45-L49 PolarHBondContact O-N 3.17Å; H45-L49 VanDerWaalsContact O-N 3.12Å; F46-L49 HydrophobicContact CD1-CD1 3.97Å; F46-L49 HydrophobicContact CE1-CD1 4.5Å; F46-L49 PolarHBondContact O-N 2.93Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.36Å; L49-L364 HydrophobicContact CD2-CD1 3.69Å; L49-L364 HydrophobicContact CD2-CG 3.98Å
50I76.4Confident82.4Confident63 Ų6334.6 Ų34.632%0.32317%0.17SC..THydrogen-bonded Turntrans-106.36.7166.765157.6000112.6V2 V3 L6 F46 N47 L48 D52V2-I50 HydrophobicContact CB-CG2 4.42Å; V2-I50 HydrophobicContact CG1-CG2 3.71Å; V3-I50 HydrophobicContact CG2-CG2 4.39Å; L6-I50 HydrophobicContact CD1-CB 4.43Å; L6-I50 HydrophobicContact CD1-CD1 3.52Å; L6-I50 HydrophobicContact CD1-CG1 3.83Å; L6-I50 HydrophobicContact CD1-CG2 3.74Å; F46-I50 PolarHBondContact O-N 2.76Å; N47-I50 CarbonylContact O-C 3.56Å; N47-I50 WeakPolarHBondContact O-CG1 3.26Å; N47-I50 PolarHBondContact O-N 3.41Å; N47-I50 VanDerWaalsContact O-N 3.15Å; L48-I50 VanDerWaalsContact C-N 3.28Å; L48-I50 PolarHBondContact O-N 3.33Å; I50-D52 HydrophobicContact CD1-CB 4.01Å; I50-D52 HydrophobicContact CG1-CB 4.04Å; I50-D52 PolarHBondContact O-N 2.8Å
51H68.7Low82.3Confident40 Ų4039.7 Ų39.719%0.18519%0.194CC..THydrogen-bonded Turntrans61.226.3-179.2-63-95.2000114.3N47 L48 F53 Y359 L364N47-H51 PolarHBondContact O-N 3.23Å; L48-H51 PolarHBondContact O-N 2.73Å; H51-F53 VanDerWaalsContact C-N 3.25Å; H51-F53 HydrophobicContact CB-CD2 4.26Å; H51-F53 HydrophobicContact CB-CE2 3.7Å; H51-F53 HydrophobicContact CB-CZ 4.38Å; H51-F53 AromaticContact CG-CE2 3.98Å; H51-F53 AromaticContact ND1-CE2 3.46Å; H51-F53 WeakPolarHBondContact ND1-CE2 3.24Å; H51-F53 AromaticContact ND1-CZ 3.34Å; H51-F53 VanDerWaalsContact ND1-CZ 3.34Å; H51-F53 WeakPolarHBondContact ND1-CZ 3.24Å; H51-F53 WeakPolarHBondContact O-CD2 3.43Å; H51-F53 PolarHBondContact O-N 2.95Å; H51-F53 VanDerWaalsContact O-N 3.11Å; H51-Y359 HydrophobicContact CB-CD2 4.26Å; H51-Y359 HydrophobicContact CB-CE2 3.94Å; H51-Y359 AromaticContact CD2-CD1 3.32Å; H51-Y359 WeakPolarHBondContact CD2-CD1 3.43Å; H51-Y359 AromaticContact CD2-CD2 3.36Å; H51-Y359 WeakPolarHBondContact CD2-CD2 3.47Å; H51-Y359 AromaticContact CD2-CE1 3.55Å; H51-Y359 AromaticContact CD2-CE2 3.59Å; H51-Y359 AromaticContact CD2-CG 3.22Å; H51-Y359 AromaticContact CD2-CZ 3.68Å; H51-Y359 AromaticContact CE1-CD1 3.93Å; H51-Y359 AromaticContact CE1-CE1 3.68Å; H51-Y359 AromaticContact CG-CD2 3.88Å; H51-Y359 AromaticContact CG-CE1 3.93Å; H51-Y359 AromaticContact CG-CE2 3.65Å; H51-Y359 AromaticContact CG-CZ 3.67Å; H51-Y359 AromaticContact ND1-CE1 3.99Å; H51-Y359 AromaticContact ND1-CZ 3.94Å; H51-Y359 AromaticContact NE2-CD1 3.17Å; H51-Y359 WeakPolarHBondContact NE2-CD1 3.21Å; H51-Y359 AromaticContact NE2-CE1 3.4Å; H51-Y359 WeakPolarHBondContact NE2-CE1 3.47Å; H51-Y359 AromaticContact NE2-CG 3.59Å; H51-Y359 AromaticContact NE2-CZ 3.97Å; H51-L364 PolarHBondContact CE1-O 3.05Å
52D78.1Confident82.1Confident36 Ų3640.2 Ų40.219%0.19320%0.196CC..  trans-8374.2163.7-167.9-29.7000109N47 I50 F54 K55 A56N47-D52 HydrophobicContact CB-CB 4.26Å; N47-D52 PolarHBondContact O-N 3.39Å; I50-D52 HydrophobicContact CD1-CB 4.01Å; I50-D52 HydrophobicContact CG1-CB 4.04Å; I50-D52 PolarHBondContact O-N 2.8Å; D52-F54 PolarHBondContact O-N 3.39Å; D52-F54 PolarHBondContact OD1-N 3.34Å; D52-K55 HydrophobicContact CB-CB 4.43Å; D52-K55 PolarHBondContact O-N 3.16Å; D52-K55 WeakPolarHBondContact OD1-CB 3.26Å; D52-K55 WeakPolarHBondContact OD1-CG 3.28Å; D52-K55 PolarHBondContact OD1-N 2.71Å; D52-K55 VanDerWaalsContact OD2-CD 3.26Å; D52-K55 WeakPolarHBondContact OD2-CD 3.33Å; D52-K55 VanDerWaalsContact OD2-CE 3.32Å; D52-K55 WeakPolarHBondContact OD2-CE 3.42Å; D52-K55 WeakPolarHBondContact OD2-CG 3.25Å; D52-K55 IonicContact OD2-NZ 3.62Å; D52-K55 PolarHBondContact OD2-NZ 3.39Å; D52-A56 WeakPolarHBondContact O-CB 3.46Å; D52-A56 PolarHBondContact O-N 2.93Å
53F78.5Confident81.8Confident27 Ų2736 Ų3612%0.11818%0.178CC..Hα-helixtrans-63-22.3-177.1-67.4-85.5000113L48 H51 L57 V83 H86 F87L48-F53 HydrophobicContact CD1-CD1 3.78Å; L48-F53 HydrophobicContact CD1-CE1 3.66Å; H51-F53 VanDerWaalsContact C-N 3.25Å; H51-F53 HydrophobicContact CB-CD2 4.26Å; H51-F53 HydrophobicContact CB-CE2 3.7Å; H51-F53 HydrophobicContact CB-CZ 4.38Å; H51-F53 AromaticContact CG-CE2 3.98Å; H51-F53 AromaticContact ND1-CE2 3.46Å; H51-F53 WeakPolarHBondContact ND1-CE2 3.24Å; H51-F53 AromaticContact ND1-CZ 3.34Å; H51-F53 VanDerWaalsContact ND1-CZ 3.34Å; H51-F53 WeakPolarHBondContact ND1-CZ 3.24Å; H51-F53 WeakPolarHBondContact O-CD2 3.43Å; H51-F53 PolarHBondContact O-N 2.95Å; H51-F53 VanDerWaalsContact O-N 3.11Å; F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3Å; F53-V83 HydrophobicContact CD1-CG2 4.21Å; F53-H86 HydrophobicContact CD1-CB 3.64Å; F53-H86 AromaticContact CD1-CG 3.74Å; F53-H86 HydrophobicContact CD2-CB 4.35Å; F53-H86 AromaticContact CD2-CD2 3.33Å; F53-H86 WeakPolarHBondContact CD2-CD2 3.41Å; F53-H86 AromaticContact CD2-CE1 3.61Å; F53-H86 AromaticContact CD2-CG 3.54Å; F53-H86 AromaticContact CD2-ND1 3.7Å; F53-H86 AromaticContact CD2-NE2 3.38Å; F53-H86 WeakPolarHBondContact CD2-NE2 3.19Å; F53-H86 HydrophobicContact CE1-CB 3.76Å; F53-H86 AromaticContact CE1-CG 3.96Å; F53-H86 HydrophobicContact CE2-CB 4.44Å; F53-H86 AromaticContact CE2-CD2 3.21Å; F53-H86 WeakPolarHBondContact CE2-CD2 3.3Å; F53-H86 AromaticContact CE2-CG 3.77Å; F53-H86 AromaticContact CE2-NE2 3.55Å; F53-H86 HydrophobicContact CG-CB 3.95Å; F53-H86 AromaticContact CG-CD2 3.82Å; F53-H86 AromaticContact CG-CE1 3.99Å; F53-H86 AromaticContact CG-CG 3.51Å; F53-H86 AromaticContact CG-ND1 3.63Å; F53-H86 HydrophobicContact CZ-CB 4.16Å; F53-H86 AromaticContact CZ-CD2 3.61Å; F53-H86 AromaticContact CZ-CG 3.97Å; F53-F87 HydrophobicContact CB-CE1 4.21Å; F53-F87 HydrophobicContact CB-CE2 4.01Å; F53-F87 HydrophobicContact CB-CZ 3.51Å
54F77Confident81.6Confident96 Ų9640.5 Ų40.542%0.42120%0.196SC..Hα-helixtrans-77-47.4177.9-64.4-60.8000111.9D52 A56 L57 S58 F87 I903D52-F54 PolarHBondContact O-N 3.39Å; D52-F54 PolarHBondContact OD1-N 3.34Å; F54-A56 VanDerWaalsContact C-N 3.29Å; F54-A56 PolarHBondContact O-N 3.4Å; F54-L57 PolarHBondContact O-N 3.47Å; F54-S58 WeakPolarHBondContact O-CB 3.23Å; F54-S58 PolarHBondContact O-N 2.84Å; F54-F87 AromaticContact CD1-CE1 3.7Å; F54-F87 HydrophobicContact CD1-CE1 3.7Å; F54-F87 HydrophobicContact CD1-CE2 4.11Å; F54-F87 AromaticContact CD1-CZ 3.27Å; F54-F87 HydrophobicContact CD1-CZ 3.27Å; F54-F87 HydrophobicContact CE1-CD1 4.01Å; F54-F87 AromaticContact CE1-CE1 3.1Å; F54-F87 HydrophobicContact CE1-CE1 3.1Å; F54-F87 HydrophobicContact CE1-CE2 4.23Å; F54-F87 AromaticContact CE1-CZ 3.23Å; F54-F87 HydrophobicContact CE1-CZ 3.23Å; F54-F87 HydrophobicContact CE2-CE1 4.25Å; F54-F87 HydrophobicContact CG-CE1 4.46Å; F54-F87 AromaticContact CG-CZ 3.95Å; F54-F87 HydrophobicContact CG-CZ 3.95Å; F54-F87 HydrophobicContact CZ-CD1 4.4Å; F54-F87 AromaticContact CZ-CE1 3.44Å; F54-F87 HydrophobicContact CZ-CE1 3.44Å; F54-F87 VanDerWaalsContact CZ-CE1 3.44Å; F54-F87 AromaticContact CZ-CZ 3.91Å; F54-F87 HydrophobicContact CZ-CZ 3.91Å; F54-I903 HydrophobicContact CD1-CD1 3.42Å; F54-I903 VanDerWaalsContact CD1-CD1 3.42Å; F54-I903 HydrophobicContact CE1-CD1 3.16Å; F54-I903 HydrophobicContact CE2-CD1 4.33Å; F54-I903 HydrophobicContact CE2-CG2 4.28Å; F54-I903 HydrophobicContact CG-CD1 4.13Å; F54-I903 HydrophobicContact CZ-CD1 3.67Å; F54-I903 HydrophobicContact CZ-CG2 4.44Å
55K80Confident81.3Confident104 Ų10447.3 Ų47.345%0.45223%0.228SC..Hα-helixtrans-65-35.1170.6-68.7-171.5-164.7114.90111.7N47 D52 S58 A59N47-K55 HydrophobicContact CB-CB 3.98Å; N47-K55 VanDerWaalsContact CG-CB 3.48Å; D52-K55 HydrophobicContact CB-CB 4.43Å; D52-K55 PolarHBondContact O-N 3.16Å; D52-K55 WeakPolarHBondContact OD1-CB 3.26Å; D52-K55 WeakPolarHBondContact OD1-CG 3.28Å; D52-K55 PolarHBondContact OD1-N 2.71Å; D52-K55 VanDerWaalsContact OD2-CD 3.26Å; D52-K55 WeakPolarHBondContact OD2-CD 3.33Å; D52-K55 VanDerWaalsContact OD2-CE 3.32Å; D52-K55 WeakPolarHBondContact OD2-CE 3.42Å; D52-K55 WeakPolarHBondContact OD2-CG 3.25Å; D52-K55 IonicContact OD2-NZ 3.62Å; D52-K55 PolarHBondContact OD2-NZ 3.39Å; K55-S58 PolarHBondContact O-N 3.25Å; K55-A59 VanDerWaalsContact O-CB 3.3Å; K55-A59 WeakPolarHBondContact O-CB 3.28Å; K55-A59 PolarHBondContact O-N 3.02Å
56A82.3Confident80.7Confident0 Ų049.1 Ų49.10%024%0.236CC..Hα-helixtrans-60.5-48.3173.300000111.6N47 L48 D52 F54 A59 Y60 V83N47-A56 HydrophobicContact CB-CB 4.06Å; L48-A56 HydrophobicContact CB-CB 4.32Å; D52-A56 WeakPolarHBondContact O-CB 3.46Å; D52-A56 PolarHBondContact O-N 2.93Å; F54-A56 VanDerWaalsContact C-N 3.29Å; F54-A56 PolarHBondContact O-N 3.4Å; A56-A59 PolarHBondContact O-N 3.08Å; A56-Y60 HydrophobicContact CB-CE2 4.1Å; A56-Y60 WeakPolarHBondContact O-CB 3.42Å; A56-Y60 WeakPolarHBondContact O-CD2 3.42Å; A56-Y60 VanDerWaalsContact O-CG 3.25Å; A56-Y60 PolarHBondContact O-N 3.41Å; A56-V83 HydrophobicContact CB-CG2 3.92Å
57L85.9Confident80.1Confident32 Ų3249.5 Ų49.517%0.16824%0.237CC..Hα-helixtrans-58.3-49.7175.2-179.856.4000112F53 F54 A59 Y60 Q61 L80 V83 Y84 F87F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3Å; F54-L57 PolarHBondContact O-N 3.47Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-A59 PolarHBondContact O-N 3.29Å; L57-Y60 CarbonylContact O-C 3.58Å; L57-Y60 PolarHBondContact O-N 3.23Å; L57-Q61 HydrophobicContact CD1-CG 4.09Å; L57-Q61 HydrophobicContact CG-CG 4.39Å; L57-Q61 WeakPolarHBondContact O-CB 3.4Å; L57-Q61 WeakPolarHBondContact O-CG 3.43Å; L57-Q61 PolarHBondContact O-N 3.44Å; L57-L80 HydrophobicContact CD1-CD1 4.24Å; L57-V83 HydrophobicContact CB-CG1 3.67Å; L57-V83 HydrophobicContact CD1-CG1 3.79Å; L57-V83 HydrophobicContact CD2-CG1 4.48Å; L57-V83 HydrophobicContact CG-CG1 4.16Å; L57-Y84 HydrophobicContact CD1-CE1 4.12Å; L57-F87 HydrophobicContact CB-CE2 4.24Å; L57-F87 HydrophobicContact CD2-CD2 4.17Å; L57-F87 HydrophobicContact CD2-CE2 3.94Å
58S84.4Confident79.5Confident57 Ų5756 Ų5640%0.39927%0.267SS..Hα-helixtrans-58.2-44.9179.6-178.90000112.1F54 K55 Q61 F62F54-S58 WeakPolarHBondContact O-CB 3.23Å; F54-S58 PolarHBondContact O-N 2.84Å; K55-S58 PolarHBondContact O-N 3.25Å; S58-Q61 PolarHBondContact O-N 2.86Å; S58-F62 PolarHBondContact O-N 2.98Å
59A83.9Confident79.3Confident12 Ų1261 Ų6110%0.09929%0.291CS..Hα-helixtrans-68-36.1177.400000112.8A40 L43 K55 A56 L57 C63A40-A59 WeakPolarHBondContact O-CB 3.28Å; L43-A59 HydrophobicContact CB-CB 4.24Å; K55-A59 VanDerWaalsContact O-CB 3.3Å; K55-A59 WeakPolarHBondContact O-CB 3.28Å; K55-A59 PolarHBondContact O-N 3.02Å; A56-A59 PolarHBondContact O-N 3.08Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-A59 PolarHBondContact O-N 3.29Å; A59-C63 PolarHBondContact O-N 3.39Å; A59-C63 VanDerWaalsContact O-N 3.08Å; A59-C63 PolarHBondContact O-SG 3.16Å
60Y86.2Confident79.1Confident1 Ų159.7 Ų59.70%0.00429%0.285CS..Hα-helixtrans-71.3-31.4172-64.3-40.7000113L41 G44 H45 A56 L57 C63 F64 F76 G79 L80 V83L41-Y60 HydrophobicContact CD1-CD1 4.46Å; L41-Y60 HydrophobicContact CD1-CE1 4.29Å; G44-Y60 VanDerWaalsContact C-OH 3.24Å; G44-Y60 PolarHBondContact O-OH 2.79Å; H45-Y60 PolarHBondContact CD2-OH 2.93Å; H45-Y60 VanDerWaalsContact CD2-OH 3.25Å; H45-Y60 PolarHBondContact N-OH 3.39Å; A56-Y60 HydrophobicContact CB-CE2 4.1Å; A56-Y60 WeakPolarHBondContact O-CB 3.42Å; A56-Y60 WeakPolarHBondContact O-CD2 3.42Å; A56-Y60 VanDerWaalsContact O-CG 3.25Å; A56-Y60 PolarHBondContact O-N 3.41Å; L57-Y60 CarbonylContact O-C 3.58Å; L57-Y60 PolarHBondContact O-N 3.23Å; Y60-C63 CarbonylContact O-C 3.58Å; Y60-C63 WeakPolarHBondContact O-CB 3.47Å; Y60-C63 PolarHBondContact O-N 3.5Å; Y60-F64 WeakPolarHBondContact O-CB 3.46Å; Y60-F64 PolarHBondContact O-N 2.84Å; Y60-F76 AromaticContact CD1-CD2 3.89Å; Y60-F76 HydrophobicContact CD1-CD2 3.89Å; Y60-F76 HydrophobicContact CD1-CE2 4.11Å; Y60-F76 HydrophobicContact CG-CD2 4.47Å; Y60-F76 HydrophobicContact CG-CE2 4.29Å; Y60-F76 WeakPolarHBondContact O-CE2 3.2Å; Y60-G79 VanDerWaalsContact CE2-C 3.45Å; Y60-G79 WeakPolarHBondContact CE2-O 3.45Å; Y60-L80 HydrophobicContact CD2-CB 4.5Å; Y60-L80 HydrophobicContact CD2-CD1 4.39Å; Y60-V83 HydrophobicContact CD2-CG2 4Å; Y60-V83 HydrophobicContact CE2-CG2 3.79Å
61Q85.7Confident79.3Confident109 Ų10961.5 Ų61.551%0.50929%0.287SS..Hα-helixtrans-64.8-44.3172.8-76.8171-30.500111L57 S58 C63 F64 E65L57-Q61 HydrophobicContact CD1-CG 4.09Å; L57-Q61 HydrophobicContact CG-CG 4.39Å; L57-Q61 WeakPolarHBondContact O-CB 3.4Å; L57-Q61 WeakPolarHBondContact O-CG 3.43Å; L57-Q61 PolarHBondContact O-N 3.44Å; S58-Q61 PolarHBondContact O-N 2.86Å; Q61-C63 VanDerWaalsContact C-N 3.31Å; Q61-C63 PolarHBondContact O-N 2.91Å; Q61-F64 WeakPolarHBondContact O-CB 3.45Å; Q61-F64 PolarHBondContact O-N 3.15Å; Q61-F64 VanDerWaalsContact O-N 3.09Å; Q61-E65 PolarHBondContact O-N 3.4Å
62F84.2Confident79.7Confident24 Ų2466.2 Ų66.211%0.10531%0.308CS..Hα-helixtrans-59.9-41.3171.4-171.6-85.2000111.9W13 Y17 L36 A40 S58 F64 E65 F66W13-F62 AromaticContact CH2-CD1 3.79Å; W13-F62 HydrophobicContact CH2-CD1 3.79Å; W13-F62 AromaticContact CH2-CD2 3.89Å; W13-F62 HydrophobicContact CH2-CD2 3.89Å; W13-F62 AromaticContact CH2-CE1 3.69Å; W13-F62 HydrophobicContact CH2-CE1 3.69Å; W13-F62 AromaticContact CH2-CE2 3.77Å; W13-F62 HydrophobicContact CH2-CE2 3.77Å; W13-F62 AromaticContact CH2-CG 3.9Å; W13-F62 HydrophobicContact CH2-CG 3.9Å; W13-F62 AromaticContact CH2-CZ 3.68Å; W13-F62 HydrophobicContact CH2-CZ 3.68Å; W13-F62 HydrophobicContact CZ2-CD2 4.45Å; W13-F62 HydrophobicContact CZ2-CE2 4.41Å; W13-F62 HydrophobicContact CZ3-CD1 4.21Å; W13-F62 HydrophobicContact CZ3-CE1 4.02Å; W13-F62 HydrophobicContact CZ3-CZ 4.35Å; Y17-F62 HydrophobicContact CE2-CE2 4.12Å; L36-F62 HydrophobicContact CB-CE1 3.93Å; L36-F62 HydrophobicContact CB-CZ 4.15Å; A40-F62 HydrophobicContact CB-CB 4.43Å; A40-F62 HydrophobicContact CB-CD1 3.67Å; A40-F62 HydrophobicContact CB-CE1 4.44Å; A40-F62 HydrophobicContact CB-CG 4.37Å; S58-F62 PolarHBondContact O-N 2.98Å; F62-F64 VanDerWaalsContact C-N 3.31Å; F62-F64 PolarHBondContact O-N 3.16Å; F62-E65 PolarHBondContact O-N 3.38Å; F62-F66 HydrophobicContact CD1-CD2 4.14Å; F62-F66 AromaticContact CD2-CD2 3.67Å; F62-F66 HydrophobicContact CD2-CD2 3.67Å; F62-F66 AromaticContact CD2-CE2 3.74Å; F62-F66 HydrophobicContact CD2-CE2 3.74Å; F62-F66 HydrophobicContact CE1-CB 4.27Å; F62-F66 AromaticContact CE1-CD2 3.95Å; F62-F66 HydrophobicContact CE1-CD2 3.95Å; F62-F66 HydrophobicContact CE1-CG 4.32Å; F62-F66 AromaticContact CE2-CD2 3.46Å; F62-F66 HydrophobicContact CE2-CD2 3.46Å; F62-F66 VanDerWaalsContact CE2-CD2 3.46Å; F62-F66 AromaticContact CE2-CE2 3.51Å; F62-F66 HydrophobicContact CE2-CE2 3.51Å; F62-F66 HydrophobicContact CE2-CG 4.33Å; F62-F66 HydrophobicContact CE2-CZ 4.39Å; F62-F66 HydrophobicContact CG-CD2 4.01Å; F62-F66 HydrophobicContact CG-CE2 4.48Å; F62-F66 HydrophobicContact CZ-CB 4.45Å; F62-F66 AromaticContact CZ-CD2 3.6Å; F62-F66 HydrophobicContact CZ-CD2 3.6Å; F62-F66 HydrophobicContact CZ-CE2 4.07Å; F62-F66 HydrophobicContact CZ-CG 4.06Å; F62-F66 WeakPolarHBondContact O-CD2 3.31Å; F62-F66 PolarHBondContact O-N 3.07Å; F62-F66 VanDerWaalsContact O-N 3.14Å
63C82.2Confident79.8Confident0 Ų066.3 Ų66.30%031%0.308CS..Hα-helixtrans-63.7-34.8173.9-66.30000113L41 A59 Y60 Q61 K67 F76L41-C63 VanDerWaalsContact CA-SG 3.56Å; L41-C63 PolarHBondContact N-SG 2.76Å; A59-C63 PolarHBondContact O-N 3.39Å; A59-C63 VanDerWaalsContact O-N 3.08Å; A59-C63 PolarHBondContact O-SG 3.16Å; Y60-C63 CarbonylContact O-C 3.58Å; Y60-C63 WeakPolarHBondContact O-CB 3.47Å; Y60-C63 PolarHBondContact O-N 3.5Å; Q61-C63 VanDerWaalsContact C-N 3.31Å; Q61-C63 PolarHBondContact O-N 2.91Å; C63-K67 WeakPolarHBondContact O-CB 3.36Å; C63-K67 PolarHBondContact O-N 3.47Å; C63-F76 HydrophobicContact CB-CD2 4.08Å; C63-F76 HydrophobicContact CB-CE2 3.77Å
64F82.4Confident79.8Confident109 Ų10966.1 Ų66.148%0.47831%0.311SS..Hα-helixtrans-69-38.7178.7-179.4-79000111.9Y60 Q61 F62 W71 F76Y60-F64 WeakPolarHBondContact O-CB 3.46Å; Y60-F64 PolarHBondContact O-N 2.84Å; Q61-F64 WeakPolarHBondContact O-CB 3.45Å; Q61-F64 PolarHBondContact O-N 3.15Å; Q61-F64 VanDerWaalsContact O-N 3.09Å; F62-F64 VanDerWaalsContact C-N 3.31Å; F62-F64 PolarHBondContact O-N 3.16Å; F64-W71 HydrophobicContact CD2-CH2 4.33Å; F64-W71 HydrophobicContact CD2-CZ2 4.24Å; F64-W71 AromaticContact CE2-CH2 3.77Å; F64-W71 HydrophobicContact CE2-CH2 3.77Å; F64-W71 AromaticContact CE2-CZ2 3.51Å; F64-W71 HydrophobicContact CE2-CZ2 3.51Å; F64-W71 HydrophobicContact CZ-CZ2 4.31Å; F64-F76 HydrophobicContact CB-CZ 4.22Å; F64-F76 HydrophobicContact CD2-CZ 4.47Å
65E77.5Confident80Confident144 Ų14463.7 Ų63.767%0.67331%0.309SS*.Hα-helixtrans-76.9-41.7-176.2-173171.1-160.400113Q61 F62Q61-E65 PolarHBondContact O-N 3.4Å; F62-E65 PolarHBondContact O-N 3.38Å
66F74.5Confident80.3Confident77 Ų7758.7 Ų58.734%0.33829%0.287SS..Hα-helixtrans-107.8-16.5-169.5-64.8-79.8000115.7C37 F62C37-F66 WeakPolarHBondContact SG-CB 3.42Å; F62-F66 HydrophobicContact CD1-CD2 4.14Å; F62-F66 AromaticContact CD2-CD2 3.67Å; F62-F66 HydrophobicContact CD2-CD2 3.67Å; F62-F66 AromaticContact CD2-CE2 3.74Å; F62-F66 HydrophobicContact CD2-CE2 3.74Å; F62-F66 HydrophobicContact CE1-CB 4.27Å; F62-F66 AromaticContact CE1-CD2 3.95Å; F62-F66 HydrophobicContact CE1-CD2 3.95Å; F62-F66 HydrophobicContact CE1-CG 4.32Å; F62-F66 AromaticContact CE2-CD2 3.46Å; F62-F66 HydrophobicContact CE2-CD2 3.46Å; F62-F66 VanDerWaalsContact CE2-CD2 3.46Å; F62-F66 AromaticContact CE2-CE2 3.51Å; F62-F66 HydrophobicContact CE2-CE2 3.51Å; F62-F66 HydrophobicContact CE2-CG 4.33Å; F62-F66 HydrophobicContact CE2-CZ 4.39Å; F62-F66 HydrophobicContact CG-CD2 4.01Å; F62-F66 HydrophobicContact CG-CE2 4.48Å; F62-F66 HydrophobicContact CZ-CB 4.45Å; F62-F66 AromaticContact CZ-CD2 3.6Å; F62-F66 HydrophobicContact CZ-CD2 3.6Å; F62-F66 HydrophobicContact CZ-CE2 4.07Å; F62-F66 HydrophobicContact CZ-CG 4.06Å; F62-F66 WeakPolarHBondContact O-CD2 3.31Å; F62-F66 PolarHBondContact O-N 3.07Å; F62-F66 VanDerWaalsContact O-N 3.14Å
67K73.9Confident80.4Confident53 Ų5358.8 Ų58.823%0.2329%0.287CS..SBendtrans-84.3131.1-178.7-168.9176.8174.4177.10110.5C37 C63 E69 P70 D73C37-K67 HydrophobicContact CB-CB 4.18Å; C37-K67 HydrophobicContact CB-CG 4.45Å; C37-K67 PolarHBondContact SG-N 3.24Å; C63-K67 WeakPolarHBondContact O-CB 3.36Å; C63-K67 PolarHBondContact O-N 3.47Å; K67-E69 PolarHBondContact O-N 2.96Å; K67-P70 HydrophobicContact CB-CB 4.45Å; K67-P70 HydrophobicContact CD-CB 4.45Å; K67-P70 WeakPolarHBondContact O-CD 3.28Å; K67-D73 IonicContact NZ-OD2 3.22Å; K67-D73 PolarHBondContact NZ-OD2 2.99Å
68Q69.7Low80.3Confident142 Ų14258.6 Ų58.666%0.66429%0.285SS*.SBendtrans-64.9128.2167.7-70.3175.4-0.100110.3E30E30-Q68 PolarHBondContact OE1-NE2 3.36Å
69E76.2Confident80.3Confident116 Ų11655.9 Ų55.954%0.54227%0.266SS..SBendtrans49.559.2178-56.2-174.6104.900114.9K67 W71 K72K67-E69 PolarHBondContact O-N 2.96Å; E69-W71 PolarHBondContact O-N 3.45Å; E69-K72 HydrophobicContact CB-CD 4.07Å; E69-K72 HydrophobicContact CB-CG 4.19Å; E69-K72 VanDerWaalsContact CD-CE 3.41Å; E69-K72 PolarHBondContact O-N 3.39Å; E69-K72 WeakPolarHBondContact OE1-CE 3.4Å; E69-K72 IonicContact OE1-NZ 3.3Å; E69-K72 PolarHBondContact OE1-NZ 3.44Å; E69-K72 WeakPolarHBondContact OE2-CD 3.3Å; E69-K72 VanDerWaalsContact OE2-CE 3.31Å; E69-K72 WeakPolarHBondContact OE2-CE 3.23Å; E69-K72 IonicContact OE2-NZ 2.72Å; E69-K72 PolarHBondContact OE2-NZ 3.33Å
70P73.5Confident80.5Confident12 Ų1255.5 Ų55.58%0.07826%0.262CS..G310 helixtrans-60.8-26.5-175.628.2-34.4000112K67 K72 D73 F76K67-P70 HydrophobicContact CB-CB 4.45Å; K67-P70 HydrophobicContact CD-CB 4.45Å; K67-P70 WeakPolarHBondContact O-CD 3.28Å; P70-K72 PolarHBondContact O-N 3.49Å; P70-D73 WeakPolarHBondContact O-CB 3.23Å; P70-D73 PolarHBondContact O-N 2.84Å; P70-D73 VanDerWaalsContact O-N 3.11Å; P70-F76 HydrophobicContact CB-CD1 4.08Å; P70-F76 HydrophobicContact CB-CE1 3.81Å; P70-F76 HydrophobicContact CB-CZ 4.23Å; P70-F76 WeakPolarHBondContact O-CD1 3.43Å
71W81.1Confident80.5Confident100 Ų10055.5 Ų55.538%0.37926%0.262SS..G310 helixtrans-64.5-15.4175.3-49.6116.4000115.4F64 E69 I77 L96 H104F64-W71 HydrophobicContact CD2-CH2 4.33Å; F64-W71 HydrophobicContact CD2-CZ2 4.24Å; F64-W71 AromaticContact CE2-CH2 3.77Å; F64-W71 HydrophobicContact CE2-CH2 3.77Å; F64-W71 AromaticContact CE2-CZ2 3.51Å; F64-W71 HydrophobicContact CE2-CZ2 3.51Å; F64-W71 HydrophobicContact CZ-CZ2 4.31Å; E69-W71 PolarHBondContact O-N 3.45Å; W71-I77 HydrophobicContact CE3-CD1 4.38Å; W71-I77 HydrophobicContact CE3-CG1 4.22Å; W71-I77 VanDerWaalsContact O-CD1 3.29Å; W71-I77 WeakPolarHBondContact O-CD1 3.38Å; W71-L96 HydrophobicContact CH2-CD2 4.47Å; W71-L96 HydrophobicContact CZ3-CD2 3.75Å; W71-H104 PolarHBondContact O-NE2 3.48Å
72K77.4Confident80.5Confident140 Ų14050.9 Ų50.961%0.60924%0.241SC*.G310 helixtrans-78-10.1172.8-73.4-175.9178.1169.20112.9E69 P70 H104E69-K72 HydrophobicContact CB-CD 4.07Å; E69-K72 HydrophobicContact CB-CG 4.19Å; E69-K72 VanDerWaalsContact CD-CE 3.41Å; E69-K72 PolarHBondContact O-N 3.39Å; E69-K72 WeakPolarHBondContact OE1-CE 3.4Å; E69-K72 IonicContact OE1-NZ 3.3Å; E69-K72 PolarHBondContact OE1-NZ 3.44Å; E69-K72 WeakPolarHBondContact OE2-CD 3.3Å; E69-K72 VanDerWaalsContact OE2-CE 3.31Å; E69-K72 WeakPolarHBondContact OE2-CE 3.23Å; E69-K72 IonicContact OE2-NZ 2.72Å; E69-K72 PolarHBondContact OE2-NZ 3.33Å; P70-K72 PolarHBondContact O-N 3.49Å; K72-H104 PolarHBondContact O-CE1 3.3Å; K72-H104 VanDerWaalsContact O-CE1 3.22Å
73D78.7Confident80.5Confident38 Ų3849.7 Ų49.720%0.20324%0.236CC..  trans-97.9106.2179.3-170.8-34.5000111.2L41 K67 P70 A75 F76 I77L41-D73 VanDerWaalsContact CD2-OD2 3.28Å; L41-D73 WeakPolarHBondContact CD2-OD2 3.39Å; K67-D73 IonicContact NZ-OD2 3.22Å; K67-D73 PolarHBondContact NZ-OD2 2.99Å; P70-D73 WeakPolarHBondContact O-CB 3.23Å; P70-D73 PolarHBondContact O-N 2.84Å; P70-D73 VanDerWaalsContact O-N 3.11Å; D73-A75 VanDerWaalsContact C-N 3.29Å; D73-A75 PolarHBondContact O-N 3.03Å; D73-A75 WeakPolarHBondContact OD1-CA 3.5Å; D73-A75 WeakPolarHBondContact OD1-CB 3.36Å; D73-A75 PolarHBondContact OD1-N 3.48Å; D73-F76 HydrophobicContact CB-CB 3.81Å; D73-F76 WeakPolarHBondContact O-CB 3.46Å; D73-F76 PolarHBondContact O-N 2.86Å; D73-F76 PolarHBondContact OD1-N 2.95Å; D73-I77 PolarHBondContact O-N 2.91Å; D73-I77 VanDerWaalsContact O-N 3.09Å
74A79.3Confident80.6Confident22 Ų2252.8 Ų52.818%0.18225%0.248CC..Hα-helixtrans-64.4-31.6179.800000112.9I77 Y78 L100 F107A74-I77 PolarHBondContact O-N 2.8Å; A74-Y78 WeakPolarHBondContact O-CB 3.19Å; A74-Y78 PolarHBondContact O-N 3.19Å; A74-L100 HydrophobicContact CB-CD1 3.78Å; A74-L100 WeakPolarHBondContact O-CD1 3.43Å; A74-F107 HydrophobicContact CB-CD2 4.18Å
75A81.2Confident80.6Confident45 Ų4549.7 Ų49.737%0.37223%0.234SC..Hα-helixtrans-76.4-31.4178.800000111.8H45 D73 G79H45-A75 WeakPolarHBondContact CE1-CB 3.44Å; H45-A75 WeakPolarHBondContact NE2-CA 3.26Å; H45-A75 WeakPolarHBondContact NE2-CB 3.34Å; H45-A75 PolarHBondContact NE2-O 3.16Å; D73-A75 VanDerWaalsContact C-N 3.29Å; D73-A75 PolarHBondContact O-N 3.03Å; D73-A75 WeakPolarHBondContact OD1-CA 3.5Å; D73-A75 WeakPolarHBondContact OD1-CB 3.36Å; D73-A75 PolarHBondContact OD1-N 3.48Å; A75-G79 PolarHBondContact O-N 3.45Å; A75-G79 VanDerWaalsContact O-N 3.09Å
76F85.4Confident80.7Confident0 Ų047 Ų470%022%0.221CC..Hα-helixtrans-63.2-50.5167.6170.9-101.5000111.3L41 H45 Y60 C63 F64 P70 D73 Y78 G79 L80L41-F76 HydrophobicContact CD1-CB 3.91Å; L41-F76 HydrophobicContact CD1-CD2 4.03Å; L41-F76 HydrophobicContact CD1-CG 4.47Å; H45-F76 WeakPolarHBondContact NE2-CA 3.33Å; H45-F76 PolarHBondContact NE2-N 3.34Å; Y60-F76 AromaticContact CD1-CD2 3.89Å; Y60-F76 HydrophobicContact CD1-CD2 3.89Å; Y60-F76 HydrophobicContact CD1-CE2 4.11Å; Y60-F76 HydrophobicContact CG-CD2 4.47Å; Y60-F76 HydrophobicContact CG-CE2 4.29Å; Y60-F76 WeakPolarHBondContact O-CE2 3.2Å; C63-F76 HydrophobicContact CB-CD2 4.08Å; C63-F76 HydrophobicContact CB-CE2 3.77Å; F64-F76 HydrophobicContact CB-CZ 4.22Å; F64-F76 HydrophobicContact CD2-CZ 4.47Å; P70-F76 HydrophobicContact CB-CD1 4.08Å; P70-F76 HydrophobicContact CB-CE1 3.81Å; P70-F76 HydrophobicContact CB-CZ 4.23Å; P70-F76 WeakPolarHBondContact O-CD1 3.43Å; D73-F76 HydrophobicContact CB-CB 3.81Å; D73-F76 WeakPolarHBondContact O-CB 3.46Å; D73-F76 PolarHBondContact O-N 2.86Å; D73-F76 PolarHBondContact OD1-N 2.95Å; F76-Y78 PolarHBondContact O-N 2.93Å; F76-G79 PolarHBondContact O-N 2.83Å; F76-L80 HydrophobicContact CE1-CD2 4.18Å; F76-L80 HydrophobicContact CZ-CD2 3.94Å; F76-L80 WeakPolarHBondContact O-CB 3.16Å; F76-L80 PolarHBondContact O-N 2.88Å
77I84.6Confident80.9Confident1 Ų145.7 Ų45.71%0.00522%0.216CC..Hα-helixtrans-59.6-47.4179.8-68.8173.1000111W71 D73 A74 G79 L80 A81 L96 L100W71-I77 HydrophobicContact CE3-CD1 4.38Å; W71-I77 HydrophobicContact CE3-CG1 4.22Å; W71-I77 VanDerWaalsContact O-CD1 3.29Å; W71-I77 WeakPolarHBondContact O-CD1 3.38Å; D73-I77 PolarHBondContact O-N 2.91Å; D73-I77 VanDerWaalsContact O-N 3.09Å; A74-I77 PolarHBondContact O-N 2.8Å; I77-G79 PolarHBondContact O-N 3.49Å; I77-L80 PolarHBondContact O-N 2.85Å; I77-A81 VanDerWaalsContact O-CB 3.31Å; I77-A81 WeakPolarHBondContact O-CB 3.23Å; I77-A81 PolarHBondContact O-N 3.44Å; I77-L96 HydrophobicContact CG2-CB 4.2Å; I77-L96 HydrophobicContact CG2-CD2 4.4Å; I77-L96 WeakPolarHBondContact CG2-O 3.34Å; I77-L100 HydrophobicContact CB-CD1 4.34Å; I77-L100 HydrophobicContact CG2-CB 3.94Å; I77-L100 HydrophobicContact CG2-CD1 4.22Å
78Y84.4Confident81Confident29 Ų2948.9 Ų48.911%0.11424%0.235CC..Hα-helixtrans-61-44.7178.4-176.1-116.4000112.4A74 F76 A81 L82 F97 L100 V118 L364A74-Y78 WeakPolarHBondContact O-CB 3.19Å; A74-Y78 PolarHBondContact O-N 3.19Å; F76-Y78 PolarHBondContact O-N 2.93Å; Y78-A81 PolarHBondContact O-N 2.76Å; Y78-L82 HydrophobicContact CD1-CD1 4.02Å; Y78-L82 HydrophobicContact CE1-CD1 3.57Å; Y78-L82 HydrophobicContact CE2-CD1 4.19Å; Y78-L82 HydrophobicContact CE2-CG 4.42Å; Y78-L82 WeakPolarHBondContact O-CG 3.38Å; Y78-L82 PolarHBondContact O-N 2.87Å; Y78-F97 HydrophobicContact CD2-CD1 4.47Å; Y78-F97 HydrophobicContact CD2-CE1 4.01Å; Y78-F97 HydrophobicContact CE2-CE1 4.06Å; Y78-L100 HydrophobicContact CD2-CD2 3.69Å; Y78-L100 HydrophobicContact CG-CD2 4.13Å; Y78-V118 HydrophobicContact CD2-CG2 3.79Å; Y78-V118 HydrophobicContact CE2-CG2 3.58Å; Y78-L364 HydrophobicContact CE1-CD2 4.28Å
79G85.2Confident81.6Confident0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-62.7-42.7177.300000113Y60 A75 F76 I77 V83Y60-G79 VanDerWaalsContact CE2-C 3.45Å; Y60-G79 WeakPolarHBondContact CE2-O 3.45Å; A75-G79 PolarHBondContact O-N 3.45Å; A75-G79 VanDerWaalsContact O-N 3.09Å; F76-G79 PolarHBondContact O-N 2.83Å; I77-G79 PolarHBondContact O-N 3.49Å; G79-V83 WeakPolarHBondContact O-CG2 3.43Å; G79-V83 PolarHBondContact O-N 1.99Å; G79-V83 VanDerWaalsContact O-N 3.12Å
80L87.8Confident81.8Confident4 Ų441 Ų412%0.02120%0.203CC..Hα-helixtrans-69.5-37177.1-173.961.6000112.3L57 Y60 F76 I77 V83 Y84 L96L57-L80 HydrophobicContact CD1-CD1 4.24Å; Y60-L80 HydrophobicContact CD2-CB 4.5Å; Y60-L80 HydrophobicContact CD2-CD1 4.39Å; F76-L80 HydrophobicContact CE1-CD2 4.18Å; F76-L80 HydrophobicContact CZ-CD2 3.94Å; F76-L80 WeakPolarHBondContact O-CB 3.16Å; F76-L80 PolarHBondContact O-N 2.88Å; I77-L80 PolarHBondContact O-N 2.85Å; L80-V83 PolarHBondContact O-N 3.12Å; L80-Y84 HydrophobicContact CD1-CD1 4.23Å; L80-Y84 HydrophobicContact CD1-CE1 3.7Å; L80-Y84 HydrophobicContact CD1-CE2 4.27Å; L80-Y84 HydrophobicContact CD2-CE2 4.18Å; L80-Y84 HydrophobicContact CG-CD2 4.35Å; L80-Y84 HydrophobicContact CG-CE1 4.27Å; L80-Y84 HydrophobicContact CG-CE2 3.94Å; L80-Y84 PolarHBondContact O-N 2.94Å; L80-L96 HydrophobicContact CB-CD1 4.12Å; L80-L96 HydrophobicContact CD2-CD1 3.93Å; L80-L96 HydrophobicContact CG-CD1 3.8Å
81A84.8Confident82.2Confident0 Ų047.2 Ų47.20%023%0.228CC..Hα-helixtrans-62.8-43175.200000111.9I77 Y78 V83 Y84 F85 L96 F97I77-A81 VanDerWaalsContact O-CB 3.31Å; I77-A81 WeakPolarHBondContact O-CB 3.23Å; I77-A81 PolarHBondContact O-N 3.44Å; Y78-A81 PolarHBondContact O-N 2.76Å; A81-V83 VanDerWaalsContact C-N 3.34Å; A81-V83 PolarHBondContact O-N 2.77Å; A81-Y84 PolarHBondContact O-N 3.34Å; A81-F85 VanDerWaalsContact O-CB 3.25Å; A81-F85 WeakPolarHBondContact O-CB 3.36Å; A81-F85 PolarHBondContact O-N 3.13Å; A81-L96 HydrophobicContact CB-CB 3.7Å; A81-L96 HydrophobicContact CB-CD1 4.29Å; A81-F97 HydrophobicContact CB-CD1 3.66Å; A81-F97 HydrophobicContact CB-CD2 4.16Å; A81-F97 HydrophobicContact CB-CE1 3.43Å; A81-F97 VanDerWaalsContact CB-CE1 3.43Å; A81-F97 HydrophobicContact CB-CE2 3.95Å; A81-F97 HydrophobicContact CB-CG 4.01Å; A81-F97 HydrophobicContact CB-CZ 3.59Å
82L85.6Confident82.4Confident12 Ų1244.7 Ų44.76%0.06323%0.225CC..Hα-helixtrans-63.7-36.5173.5-74.7170.9000112.7L48 Y78 F85 H86 F97 L364L48-L82 HydrophobicContact CD1-CB 4.2Å; L48-L82 HydrophobicContact CD2-CB 4.44Å; L48-L82 HydrophobicContact CD2-CD1 3.95Å; Y78-L82 HydrophobicContact CD1-CD1 4.02Å; Y78-L82 HydrophobicContact CE1-CD1 3.57Å; Y78-L82 HydrophobicContact CE2-CD1 4.19Å; Y78-L82 HydrophobicContact CE2-CG 4.42Å; Y78-L82 WeakPolarHBondContact O-CG 3.38Å; Y78-L82 PolarHBondContact O-N 2.87Å; L82-F85 PolarHBondContact O-N 3.25Å; L82-H86 WeakPolarHBondContact O-CB 3.47Å; L82-H86 PolarHBondContact O-N 2.9Å; L82-F97 HydrophobicContact CD2-CZ 4.12Å; L82-F97 HydrophobicContact CG-CE1 4.48Å; L82-F97 HydrophobicContact CG-CZ 4.27Å; L82-L364 HydrophobicContact CD1-CD2 4.06Å
83V84.5Confident82.7Confident0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-66.4-46.5174.1165.40000111.8L48 F53 A56 L57 Y60 G79 L80 A81 F85 H86 F87L48-V83 HydrophobicContact CD1-CG2 3.87Å; F53-V83 HydrophobicContact CD1-CG2 4.21Å; A56-V83 HydrophobicContact CB-CG2 3.92Å; L57-V83 HydrophobicContact CB-CG1 3.67Å; L57-V83 HydrophobicContact CD1-CG1 3.79Å; L57-V83 HydrophobicContact CD2-CG1 4.48Å; L57-V83 HydrophobicContact CG-CG1 4.16Å; Y60-V83 HydrophobicContact CD2-CG2 4Å; Y60-V83 HydrophobicContact CE2-CG2 3.79Å; G79-V83 WeakPolarHBondContact O-CG2 3.43Å; G79-V83 PolarHBondContact O-N 1.99Å; G79-V83 VanDerWaalsContact O-N 3.12Å; L80-V83 PolarHBondContact O-N 3.12Å; A81-V83 VanDerWaalsContact C-N 3.34Å; A81-V83 PolarHBondContact O-N 2.77Å; V83-F85 VanDerWaalsContact C-N 3.31Å; V83-F85 PolarHBondContact O-N 3.07Å; V83-H86 PolarHBondContact O-N 3.23Å; V83-F87 HydrophobicContact CG1-CD2 3.84Å; V83-F87 HydrophobicContact CG1-CE2 3.74Å; V83-F87 VanDerWaalsContact O-CD2 3.26Å; V83-F87 WeakPolarHBondContact O-CD2 3.29Å; V83-F87 PolarHBondContact O-N 3.46Å; V83-F87 VanDerWaalsContact O-N 3.08Å
84Y85.9Confident83.1Confident64 Ų6436.6 Ų36.625%0.25119%0.189SC..Hα-helixtrans-65.7-34175.6-71.2-11.3000112.6L57 L80 A81 F87 N88 V89 C92 L96L57-Y84 HydrophobicContact CD1-CE1 4.12Å; L80-Y84 HydrophobicContact CD1-CD1 4.23Å; L80-Y84 HydrophobicContact CD1-CE1 3.7Å; L80-Y84 HydrophobicContact CD1-CE2 4.27Å; L80-Y84 HydrophobicContact CD2-CE2 4.18Å; L80-Y84 HydrophobicContact CG-CD2 4.35Å; L80-Y84 HydrophobicContact CG-CE1 4.27Å; L80-Y84 HydrophobicContact CG-CE2 3.94Å; L80-Y84 PolarHBondContact O-N 2.94Å; A81-Y84 PolarHBondContact O-N 3.34Å; Y84-F87 PolarHBondContact O-N 3.15Å; Y84-N88 PolarHBondContact O-N 3.13Å; Y84-V89 WeakPolarHBondContact O-CA 3.21Å; Y84-V89 PolarHBondContact O-N 3.15Å; Y84-C92 HydrophobicContact CD2-CB 3.6Å; Y84-C92 HydrophobicContact CE2-CB 4.04Å; Y84-C92 HydrophobicContact CG-CB 4.32Å; Y84-L96 HydrophobicContact CD2-CD1 3.63Å; Y84-L96 HydrophobicContact CE2-CD1 3.73Å
85F82Confident83.4Confident45 Ų4540.2 Ų40.220%0.19720%0.202CC..Hα-helixtrans-63.4-44.9173-179.6-97.6000111.6A81 L82 V83 F87 N88 A93 F97 H121 H124A81-F85 VanDerWaalsContact O-CB 3.25Å; A81-F85 WeakPolarHBondContact O-CB 3.36Å; A81-F85 PolarHBondContact O-N 3.13Å; L82-F85 PolarHBondContact O-N 3.25Å; V83-F85 VanDerWaalsContact C-N 3.31Å; V83-F85 PolarHBondContact O-N 3.07Å; F85-F87 PolarHBondContact O-N 2.85Å; F85-N88 PolarHBondContact O-N 3.2Å; F85-A93 HydrophobicContact CB-CB 3.96Å; F85-F97 HydrophobicContact CB-CE2 4.3Å; F85-F97 HydrophobicContact CD2-CE2 4.44Å; F85-H121 AromaticContact CE1-ND1 3.89Å; F85-H121 AromaticContact CZ-ND1 3.79Å; F85-H124 HydrophobicContact CE2-CB 4.32Å; F85-H124 AromaticContact CE2-CD2 3.88Å; F85-H124 HydrophobicContact CZ-CB 4.45Å; F85-H124 AromaticContact CZ-CD2 3.59Å
86H79.7Confident83.7Confident86 Ų8638.8 Ų38.840%0.39819%0.188SC..Hα-helixtrans-62.8-38.7176.2-179.7-88.3000112.9F53 L82 V83 N88F53-H86 HydrophobicContact CD1-CB 3.64Å; F53-H86 AromaticContact CD1-CG 3.74Å; F53-H86 HydrophobicContact CD2-CB 4.35Å; F53-H86 AromaticContact CD2-CD2 3.33Å; F53-H86 WeakPolarHBondContact CD2-CD2 3.41Å; F53-H86 AromaticContact CD2-CE1 3.61Å; F53-H86 AromaticContact CD2-CG 3.54Å; F53-H86 AromaticContact CD2-ND1 3.7Å; F53-H86 AromaticContact CD2-NE2 3.38Å; F53-H86 WeakPolarHBondContact CD2-NE2 3.19Å; F53-H86 HydrophobicContact CE1-CB 3.76Å; F53-H86 AromaticContact CE1-CG 3.96Å; F53-H86 HydrophobicContact CE2-CB 4.44Å; F53-H86 AromaticContact CE2-CD2 3.21Å; F53-H86 WeakPolarHBondContact CE2-CD2 3.3Å; F53-H86 AromaticContact CE2-CG 3.77Å; F53-H86 AromaticContact CE2-NE2 3.55Å; F53-H86 HydrophobicContact CG-CB 3.95Å; F53-H86 AromaticContact CG-CD2 3.82Å; F53-H86 AromaticContact CG-CE1 3.99Å; F53-H86 AromaticContact CG-CG 3.51Å; F53-H86 AromaticContact CG-ND1 3.63Å; F53-H86 HydrophobicContact CZ-CB 4.16Å; F53-H86 AromaticContact CZ-CD2 3.61Å; F53-H86 AromaticContact CZ-CG 3.97Å; L82-H86 WeakPolarHBondContact O-CB 3.47Å; L82-H86 PolarHBondContact O-N 2.9Å; V83-H86 PolarHBondContact O-N 3.23Å; H86-N88 PolarHBondContact O-N 3.29Å
87F77.4Confident83.8Confident51 Ų5138.8 Ų38.822%0.22419%0.188CC..THydrogen-bonded Turntrans-8521.5177.6-61.7-47.6000114.4F53 F54 L57 V83 Y84 F85 V89F53-F87 HydrophobicContact CB-CE1 4.21Å; F53-F87 HydrophobicContact CB-CE2 4.01Å; F53-F87 HydrophobicContact CB-CZ 3.51Å; F54-F87 AromaticContact CD1-CE1 3.7Å; F54-F87 HydrophobicContact CD1-CE1 3.7Å; F54-F87 HydrophobicContact CD1-CE2 4.11Å; F54-F87 AromaticContact CD1-CZ 3.27Å; F54-F87 HydrophobicContact CD1-CZ 3.27Å; F54-F87 HydrophobicContact CE1-CD1 4.01Å; F54-F87 AromaticContact CE1-CE1 3.1Å; F54-F87 HydrophobicContact CE1-CE1 3.1Å; F54-F87 HydrophobicContact CE1-CE2 4.23Å; F54-F87 AromaticContact CE1-CZ 3.23Å; F54-F87 HydrophobicContact CE1-CZ 3.23Å; F54-F87 HydrophobicContact CE2-CE1 4.25Å; F54-F87 HydrophobicContact CG-CE1 4.46Å; F54-F87 AromaticContact CG-CZ 3.95Å; F54-F87 HydrophobicContact CG-CZ 3.95Å; F54-F87 HydrophobicContact CZ-CD1 4.4Å; F54-F87 AromaticContact CZ-CE1 3.44Å; F54-F87 HydrophobicContact CZ-CE1 3.44Å; F54-F87 VanDerWaalsContact CZ-CE1 3.44Å; F54-F87 AromaticContact CZ-CZ 3.91Å; F54-F87 HydrophobicContact CZ-CZ 3.91Å; L57-F87 HydrophobicContact CB-CE2 4.24Å; L57-F87 HydrophobicContact CD2-CD2 4.17Å; L57-F87 HydrophobicContact CD2-CE2 3.94Å; V83-F87 HydrophobicContact CG1-CD2 3.84Å; V83-F87 HydrophobicContact CG1-CE2 3.74Å; V83-F87 VanDerWaalsContact O-CD2 3.26Å; V83-F87 WeakPolarHBondContact O-CD2 3.29Å; V83-F87 PolarHBondContact O-N 3.46Å; V83-F87 VanDerWaalsContact O-N 3.08Å; Y84-F87 PolarHBondContact O-N 3.15Å; F85-F87 PolarHBondContact O-N 2.85Å; F87-V89 HydrophobicContact CB-CG2 4.18Å; F87-V89 WeakPolarHBondContact O-CG2 3.36Å; F87-V89 PolarHBondContact O-N 3.45Å
88N76.1Confident83.9Confident119 Ų11942.1 Ų42.164%0.63620%0.203SC*.THydrogen-bonded Turntrans55.520178.6-60.5-31.8000115.2Y84 F85 H86 H90Y84-N88 PolarHBondContact O-N 3.13Å; F85-N88 PolarHBondContact O-N 3.2Å; H86-N88 PolarHBondContact O-N 3.29Å; N88-H90 VanDerWaalsContact CA-CE1 3.46Å; N88-H90 WeakPolarHBondContact CA-CE1 3.47Å; N88-H90 PolarHBondContact O-CD2 3.43Å; N88-H90 VanDerWaalsContact O-CD2 3.3Å; N88-H90 PolarHBondContact O-N 3.41Å; N88-H90 PolarHBondContact OD1-CE1 3.16Å
89V81.9Confident83.8Confident61 Ų6144.3 Ų44.337%0.3721%0.213SC..  trans-84.752.4176.1-160.20000109.3Y84 F87 K91 C92 A93Y84-V89 WeakPolarHBondContact O-CA 3.21Å; Y84-V89 PolarHBondContact O-N 3.15Å; F87-V89 HydrophobicContact CB-CG2 4.18Å; F87-V89 WeakPolarHBondContact O-CG2 3.36Å; F87-V89 PolarHBondContact O-N 3.45Å; V89-K91 PolarHBondContact O-N 2.97Å; V89-K91 VanDerWaalsContact O-N 3.07Å; V89-C92 HydrophobicContact CG1-CB 3.8Å; V89-C92 PolarHBondContact O-N 3.06Å; V89-A93 PolarHBondContact O-N 3.18Å
90H82Confident83.8Confident33 Ų3344.3 Ų44.315%0.15321%0.213CC..Hα-helixtrans-57.9-30.3-165.7-53.8-58.5000113.7N88 L94 L128N88-H90 VanDerWaalsContact CA-CE1 3.46Å; N88-H90 WeakPolarHBondContact CA-CE1 3.47Å; N88-H90 PolarHBondContact O-CD2 3.43Å; N88-H90 VanDerWaalsContact O-CD2 3.3Å; N88-H90 PolarHBondContact O-N 3.41Å; N88-H90 PolarHBondContact OD1-CE1 3.16Å; H90-L94 WeakPolarHBondContact O-CB 3.44Å; H90-L94 PolarHBondContact O-N 3.48Å; H90-L128 WeakPolarHBondContact CE1-CD1 3.35Å
91K81.4Confident83.4Confident142 Ų14245.6 Ų45.662%0.61722%0.22SC*.Hα-helixtrans-61.3-51.9173.1179.8179.3169.8-178.40111.7V89 A93 L94 E95V89-K91 PolarHBondContact O-N 2.97Å; V89-K91 VanDerWaalsContact O-N 3.07Å; K91-A93 VanDerWaalsContact C-N 3.33Å; K91-A93 PolarHBondContact O-N 3.38Å; K91-L94 PolarHBondContact O-N 3.02Å; K91-E95 WeakPolarHBondContact CE-OE1 3.4Å; K91-E95 WeakPolarHBondContact CG-OE1 3.49Å; K91-E95 IonicContact NZ-OE1 3.24Å; K91-E95 WeakPolarHBondContact O-CG 3.26Å; K91-E95 PolarHBondContact O-N 3.03Å
92C84.8Confident83.1Confident46 Ų4653.4 Ų53.431%0.31125%0.251SS..Hα-helixtrans-69.3-33179.5-590000111.7Y84 V89 L96Y84-C92 HydrophobicContact CD2-CB 3.6Å; Y84-C92 HydrophobicContact CE2-CB 4.04Å; Y84-C92 HydrophobicContact CG-CB 4.32Å; V89-C92 HydrophobicContact CG1-CB 3.8Å; V89-C92 PolarHBondContact O-N 3.06Å; C92-L96 WeakPolarHBondContact O-CG 3.4Å; C92-L96 PolarHBondContact O-N 3.34Å; C92-L96 VanDerWaalsContact O-N 3.11Å
93A84.2Confident82.2Confident0 Ų056.9 Ų56.90%028%0.276CS..Hα-helixtrans-63-48.9172.900000111.4F85 V89 K91 L96 F97F85-A93 HydrophobicContact CB-CB 3.96Å; V89-A93 PolarHBondContact O-N 3.18Å; K91-A93 VanDerWaalsContact C-N 3.33Å; K91-A93 PolarHBondContact O-N 3.38Å; A93-L96 PolarHBondContact O-N 3.43Å; A93-F97 HydrophobicContact CB-CD2 4.37Å; A93-F97 HydrophobicContact CB-CE2 4.12Å; A93-F97 WeakPolarHBondContact O-CD2 3.42Å; A93-F97 WeakPolarHBondContact O-CG 3.35Å; A93-F97 PolarHBondContact O-N 2.85Å
94L86.2Confident81.3Confident9 Ų958.6 Ų58.65%0.04728%0.284CS..Hα-helixtrans-57-51.9176-179.763.2000111.4H90 K91 L96 F97 E98 I122 C125 L126 K129H90-L94 WeakPolarHBondContact O-CB 3.44Å; H90-L94 PolarHBondContact O-N 3.48Å; K91-L94 PolarHBondContact O-N 3.02Å; L94-L96 VanDerWaalsContact C-N 3.25Å; L94-L96 PolarHBondContact O-N 2.86Å; L94-F97 PolarHBondContact O-N 3.11Å; L94-F97 VanDerWaalsContact O-N 3.11Å; L94-E98 HydrophobicContact CD1-CG 3.98Å; L94-E98 WeakPolarHBondContact CD1-OE1 2.95Å; L94-E98 HydrophobicContact CG-CG 4.3Å; L94-E98 WeakPolarHBondContact O-CB 3.48Å; L94-E98 WeakPolarHBondContact O-CG 3.33Å; L94-E98 PolarHBondContact O-N 2.68Å; L94-I122 HydrophobicContact CD1-CB 4.32Å; L94-I122 HydrophobicContact CD1-CG1 4.31Å; L94-I122 HydrophobicContact CD1-CG2 3.86Å; L94-C125 HydrophobicContact CB-CB 3.94Å; L94-C125 HydrophobicContact CD1-CB 4.03Å; L94-C125 HydrophobicContact CG-CB 4.44Å; L94-L126 HydrophobicContact CD2-CD2 4.17Å; L94-K129 HydrophobicContact CD2-CD 4.31Å
95E86.9Confident80.3Confident98 Ų9863.9 Ų63.946%0.45831%0.311SS..Hα-helixtrans-57.6-36178.4-73.4170.8-169.300112.6K91 K99K91-E95 WeakPolarHBondContact CE-OE1 3.4Å; K91-E95 WeakPolarHBondContact CG-OE1 3.49Å; K91-E95 IonicContact NZ-OE1 3.24Å; K91-E95 WeakPolarHBondContact O-CG 3.26Å; K91-E95 PolarHBondContact O-N 3.03Å; E95-K99 WeakPolarHBondContact O-CB 3.35Å; E95-K99 PolarHBondContact O-N 3.15Å; E95-K99 VanDerWaalsContact O-N 3.09Å
96L87.1Confident79.3Confident14 Ų1466.6 Ų66.67%0.07333%0.328CS..Hα-helixtrans-75.3-39.2174.6-69.7-176.8000113.3W71 I77 L80 A81 Y84 C92 A93 L94 K99 L100W71-L96 HydrophobicContact CH2-CD2 4.47Å; W71-L96 HydrophobicContact CZ3-CD2 3.75Å; I77-L96 HydrophobicContact CG2-CB 4.2Å; I77-L96 HydrophobicContact CG2-CD2 4.4Å; I77-L96 WeakPolarHBondContact CG2-O 3.34Å; L80-L96 HydrophobicContact CB-CD1 4.12Å; L80-L96 HydrophobicContact CD2-CD1 3.93Å; L80-L96 HydrophobicContact CG-CD1 3.8Å; A81-L96 HydrophobicContact CB-CB 3.7Å; A81-L96 HydrophobicContact CB-CD1 4.29Å; Y84-L96 HydrophobicContact CD2-CD1 3.63Å; Y84-L96 HydrophobicContact CE2-CD1 3.73Å; C92-L96 WeakPolarHBondContact O-CG 3.4Å; C92-L96 PolarHBondContact O-N 3.34Å; C92-L96 VanDerWaalsContact O-N 3.11Å; A93-L96 PolarHBondContact O-N 3.43Å; L94-L96 VanDerWaalsContact C-N 3.25Å; L94-L96 PolarHBondContact O-N 2.86Å; L96-K99 PolarHBondContact O-N 3.22Å; L96-L100 VanDerWaalsContact O-CB 3.28Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 PolarHBondContact O-N 3.1Å
97F87.2Confident78.5Confident0 Ų063 Ų630%031%0.311CS..Hα-helixtrans-67.7-41.2176.2-71.8-55.2000112Y78 A81 L82 F85 A93 L94 L100 L101 V118 H121 I122Y78-F97 HydrophobicContact CD2-CD1 4.47Å; Y78-F97 HydrophobicContact CD2-CE1 4.01Å; Y78-F97 HydrophobicContact CE2-CE1 4.06Å; A81-F97 HydrophobicContact CB-CD1 3.66Å; A81-F97 HydrophobicContact CB-CD2 4.16Å; A81-F97 HydrophobicContact CB-CE1 3.43Å; A81-F97 VanDerWaalsContact CB-CE1 3.43Å; A81-F97 HydrophobicContact CB-CE2 3.95Å; A81-F97 HydrophobicContact CB-CG 4.01Å; A81-F97 HydrophobicContact CB-CZ 3.59Å; L82-F97 HydrophobicContact CD2-CZ 4.12Å; L82-F97 HydrophobicContact CG-CE1 4.48Å; L82-F97 HydrophobicContact CG-CZ 4.27Å; F85-F97 HydrophobicContact CB-CE2 4.3Å; F85-F97 HydrophobicContact CD2-CE2 4.44Å; A93-F97 HydrophobicContact CB-CD2 4.37Å; A93-F97 HydrophobicContact CB-CE2 4.12Å; A93-F97 WeakPolarHBondContact O-CD2 3.42Å; A93-F97 WeakPolarHBondContact O-CG 3.35Å; A93-F97 PolarHBondContact O-N 2.85Å; L94-F97 PolarHBondContact O-N 3.11Å; L94-F97 VanDerWaalsContact O-N 3.11Å; F97-L100 WeakPolarHBondContact O-CB 3.37Å; F97-L100 PolarHBondContact O-N 2.94Å; F97-L101 WeakPolarHBondContact O-CB 3.45Å; F97-L101 PolarHBondContact O-N 3.18Å; F97-V118 HydrophobicContact CB-CG1 4.14Å; F97-V118 HydrophobicContact CD1-CG1 4.14Å; F97-V118 HydrophobicContact CD1-CG2 4.32Å; F97-H121 HydrophobicContact CD1-CB 4.46Å; F97-H121 HydrophobicContact CD2-CB 4Å; F97-H121 HydrophobicContact CE1-CB 4.16Å; F97-H121 HydrophobicContact CE2-CB 3.69Å; F97-H121 HydrophobicContact CG-CB 4.4Å; F97-H121 HydrophobicContact CZ-CB 3.77Å; F97-H121 AromaticContact CZ-CG 3.93Å; F97-I122 HydrophobicContact CB-CD1 4.13Å; F97-I122 HydrophobicContact CB-CG1 3.65Å
98E86.3Confident77.4Confident72 Ų7264.3 Ų64.334%0.33633%0.331SS..Hα-helixtrans-63.2-45173.4-71.4176.5164.600111.1L94 L100 L101 Y102 I122L94-E98 HydrophobicContact CD1-CG 3.98Å; L94-E98 WeakPolarHBondContact CD1-OE1 2.95Å; L94-E98 HydrophobicContact CG-CG 4.3Å; L94-E98 WeakPolarHBondContact O-CB 3.48Å; L94-E98 WeakPolarHBondContact O-CG 3.33Å; L94-E98 PolarHBondContact O-N 2.68Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.06Å; E98-L101 PolarHBondContact O-N 3.27Å; E98-Y102 HydrophobicContact CB-CD2 4.12Å; E98-Y102 HydrophobicContact CB-CE2 4.39Å; E98-Y102 HydrophobicContact CG-CE2 4.32Å; E98-Y102 WeakPolarHBondContact O-CB 3.39Å; E98-Y102 VanDerWaalsContact O-CD2 3.27Å; E98-Y102 WeakPolarHBondContact O-CD2 3.49Å; E98-Y102 PolarHBondContact O-N 3.34Å; E98-I122 HydrophobicContact CG-CD1 4.39Å
99K83.8Confident76.4Confident74 Ų7466.3 Ų66.332%0.32233%0.334SS..Iπ-helixtrans-61.3-38.8174.7-175.5177-177.4178.70112.4E95 L96 S103 H104E95-K99 WeakPolarHBondContact O-CB 3.35Å; E95-K99 PolarHBondContact O-N 3.15Å; E95-K99 VanDerWaalsContact O-N 3.09Å; L96-K99 PolarHBondContact O-N 3.22Å; K99-S103 WeakPolarHBondContact O-CA 3.01Å; K99-S103 WeakPolarHBondContact O-CB 3.45Å; K99-S103 PolarHBondContact O-N 2.83Å; K99-S103 VanDerWaalsContact O-N 3.08Å; K99-H104 PolarHBondContact O-N 2.64Å
100L83.5Confident75.3Confident0 Ų066.1 Ų66.10%034%0.335CS..Iπ-helixtrans-65.5-44.1175.6-176.565.5000112A74 I77 Y78 L96 F97 E98 H104 F107 V118A74-L100 HydrophobicContact CB-CD1 3.78Å; A74-L100 WeakPolarHBondContact O-CD1 3.43Å; I77-L100 HydrophobicContact CB-CD1 4.34Å; I77-L100 HydrophobicContact CG2-CB 3.94Å; I77-L100 HydrophobicContact CG2-CD1 4.22Å; Y78-L100 HydrophobicContact CD2-CD2 3.69Å; Y78-L100 HydrophobicContact CG-CD2 4.13Å; L96-L100 VanDerWaalsContact O-CB 3.28Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 PolarHBondContact O-N 3.1Å; F97-L100 WeakPolarHBondContact O-CB 3.37Å; F97-L100 PolarHBondContact O-N 2.94Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.06Å; L100-H104 WeakPolarHBondContact O-CB 3.48Å; L100-F107 HydrophobicContact CD1-CB 4.2Å; L100-F107 HydrophobicContact CD1-CD1 4.27Å; L100-F107 HydrophobicContact CD1-CD2 3.65Å; L100-F107 HydrophobicContact CD1-CE2 4.07Å; L100-F107 HydrophobicContact CD1-CG 3.77Å; L100-F107 HydrophobicContact CD2-CD1 4.47Å; L100-F107 HydrophobicContact CD2-CD2 4.36Å; L100-F107 HydrophobicContact CD2-CE1 4.08Å; L100-F107 HydrophobicContact CD2-CE2 3.96Å; L100-F107 HydrophobicContact CD2-CZ 3.81Å; L100-F107 HydrophobicContact CG-CD1 3.81Å; L100-F107 HydrophobicContact CG-CD2 3.96Å; L100-F107 HydrophobicContact CG-CE1 3.91Å; L100-F107 HydrophobicContact CG-CE2 4.06Å; L100-F107 HydrophobicContact CG-CG 3.84Å; L100-F107 HydrophobicContact CG-CZ 4.03Å; L100-F107 WeakPolarHBondContact O-CB 3.28Å; L100-V118 HydrophobicContact CD2-CG2 3.93Å
101L80.1Confident74.5Confident32 Ų3267.9 Ų67.917%0.16835%0.351CS..Iπ-helixtrans-75.9-44.2-176.3-175.461000113.1F97 E98 V115 V118 Q119 I122F97-L101 WeakPolarHBondContact O-CB 3.45Å; F97-L101 PolarHBondContact O-N 3.18Å; E98-L101 PolarHBondContact O-N 3.27Å; L101-V115 HydrophobicContact CD1-CG1 3.75Å; L101-V118 HydrophobicContact CB-CG1 4.21Å; L101-Q119 HydrophobicContact CD2-CG 3.97Å; L101-I122 HydrophobicContact CB-CD1 4.41Å; L101-I122 HydrophobicContact CD2-CD1 3.65Å
102Y78.1Confident73.9Confident163 Ų16365.5 Ų65.564%0.63934%0.342SS*.Iπ-helixtrans-103.1-26.3-169.8-58.5-63.9000114.7E98E98-Y102 HydrophobicContact CB-CD2 4.12Å; E98-Y102 HydrophobicContact CB-CE2 4.39Å; E98-Y102 HydrophobicContact CG-CE2 4.32Å; E98-Y102 WeakPolarHBondContact O-CB 3.39Å; E98-Y102 VanDerWaalsContact O-CD2 3.27Å; E98-Y102 WeakPolarHBondContact O-CD2 3.49Å; E98-Y102 PolarHBondContact O-N 3.34Å
103S68.1Low73.2Confident86 Ų8666.1 Ų66.160%0.60134%0.344SS*.Iπ-helixtrans-98.8-20.3-178.7-48.60000114.1K99 Q105K99-S103 WeakPolarHBondContact O-CA 3.01Å; K99-S103 WeakPolarHBondContact O-CB 3.45Å; K99-S103 PolarHBondContact O-N 2.83Å; K99-S103 VanDerWaalsContact O-N 3.08Å; S103-Q105 PolarHBondContact O-N 3.03Å
104H65Low72.5Confident36 Ų3669.5 Ų69.517%0.16736%0.36CS..  trans-9692.2-170.4-130.3-60.2000112.3W71 K72 K99 L100 N106 F107W71-H104 PolarHBondContact O-NE2 3.48Å; K72-H104 PolarHBondContact O-CE1 3.3Å; K72-H104 VanDerWaalsContact O-CE1 3.22Å; K99-H104 PolarHBondContact O-N 2.64Å; L100-H104 WeakPolarHBondContact O-CB 3.48Å; H104-N106 PolarHBondContact O-N 3.15Å; H104-F107 HydrophobicContact CB-CB 3.95Å; H104-F107 PolarHBondContact O-N 3.11Å
105Q63.9Low72.1Confident175 Ų17570.3 Ų70.382%0.81837%0.365SS*.THydrogen-bonded Turntrans-53-20.1-175.6-66.1-176.8-8.300115.7S103S103-Q105 PolarHBondContact O-N 3.03Å
106N61.9Low72Confident101 Ų10167.9 Ų67.954%0.5435%0.352SS..THydrogen-bonded Turntrans-100-16.3176.9-72.5-36.6000114H104 A108 K109H104-N106 PolarHBondContact O-N 3.15Å; N106-A108 VanDerWaalsContact C-N 3.31Å; N106-A108 PolarHBondContact O-N 2.98Å; N106-K109 WeakPolarHBondContact O-CB 3.43Å; N106-K109 PolarHBondContact O-N 3.41Å; N106-K109 VanDerWaalsContact O-N 3.09Å; N106-K109 PolarHBondContact OD1-NZ 3.07Å
107F62Low71.7Confident11 Ų1167.6 Ų67.65%0.04835%0.351CS..G310 helixtrans-70.6-30.1176.3-171-103.9000112A74 L100 H104 K109 C110 H114 V115 V118A74-F107 HydrophobicContact CB-CD2 4.18Å; L100-F107 HydrophobicContact CD1-CB 4.2Å; L100-F107 HydrophobicContact CD1-CD1 4.27Å; L100-F107 HydrophobicContact CD1-CD2 3.65Å; L100-F107 HydrophobicContact CD1-CE2 4.07Å; L100-F107 HydrophobicContact CD1-CG 3.77Å; L100-F107 HydrophobicContact CD2-CD1 4.47Å; L100-F107 HydrophobicContact CD2-CD2 4.36Å; L100-F107 HydrophobicContact CD2-CE1 4.08Å; L100-F107 HydrophobicContact CD2-CE2 3.96Å; L100-F107 HydrophobicContact CD2-CZ 3.81Å; L100-F107 HydrophobicContact CG-CD1 3.81Å; L100-F107 HydrophobicContact CG-CD2 3.96Å; L100-F107 HydrophobicContact CG-CE1 3.91Å; L100-F107 HydrophobicContact CG-CE2 4.06Å; L100-F107 HydrophobicContact CG-CG 3.84Å; L100-F107 HydrophobicContact CG-CZ 4.03Å; L100-F107 WeakPolarHBondContact O-CB 3.28Å; H104-F107 HydrophobicContact CB-CB 3.95Å; H104-F107 PolarHBondContact O-N 3.11Å; F107-K109 PolarHBondContact O-N 3.46Å; F107-C110 HydrophobicContact CD2-CB 4.29Å; F107-C110 HydrophobicContact CE2-CB 4.32Å; F107-C110 VanDerWaalsContact O-CB 3.29Å; F107-C110 WeakPolarHBondContact O-CB 3.4Å; F107-C110 PolarHBondContact O-N 3.41Å; F107-H114 HydrophobicContact CZ-CB 4.32Å; F107-V115 HydrophobicContact CE1-CG2 4.36Å; F107-V118 HydrophobicContact CE1-CB 4.41Å; F107-V118 HydrophobicContact CE1-CG2 3.94Å; F107-V118 HydrophobicContact CZ-CG2 3.75Å
108A54.3Low71.5Confident79 Ų7967.6 Ų67.665%0.65335%0.351SS*.G310 helixtrans-62.6-3.9168.600000114.5N106N106-A108 VanDerWaalsContact C-N 3.31Å; N106-A108 PolarHBondContact O-N 2.98Å
109K55.9Low71.5Confident161 Ų16165.9 Ų65.970%0.734%0.343SS*.G310 helixtrans-108.90.9173.1-54.5172.9-170.7159.60112.9N106 F107N106-K109 WeakPolarHBondContact O-CB 3.43Å; N106-K109 PolarHBondContact O-N 3.41Å; N106-K109 VanDerWaalsContact O-N 3.09Å; N106-K109 PolarHBondContact OD1-NZ 3.07Å; F107-K109 PolarHBondContact O-N 3.46Å
110C59.2Low71.7Confident56 Ų5662.7 Ų62.738%0.37833%0.329SS..SBendtrans-69.2163.8168.9-66.80000110.2F107 E112F107-C110 HydrophobicContact CD2-CB 4.29Å; F107-C110 HydrophobicContact CE2-CB 4.32Å; F107-C110 VanDerWaalsContact O-CB 3.29Å; F107-C110 WeakPolarHBondContact O-CB 3.4Å; F107-C110 PolarHBondContact O-N 3.41Å; C110-E112 PolarHBondContact O-N 3.44Å
111S63.9Low71.8Confident70 Ų7062.9 Ų62.949%0.4933%0.33SS..  trans-60.6136.8178.257.40000110.9V113 H114S111-V113 PolarHBondContact O-N 3.21Å; S111-H114 WeakPolarHBondContact O-CB 3.46Å; S111-H114 PolarHBondContact O-N 3.32Å; S111-H114 PolarHBondContact OG-ND1 2.97Å
112E70.7Confident72.2Confident93 Ų9361.8 Ų61.844%0.43533%0.325SS..Hα-helixtrans-50.9-36.6-170.8-176.4174.2175.700113C110 H114 V115 R116C110-E112 PolarHBondContact O-N 3.44Å; E112-H114 VanDerWaalsContact C-N 3.26Å; E112-H114 PolarHBondContact O-N 3.4Å; E112-V115 WeakPolarHBondContact O-CA 3.46Å; E112-V115 WeakPolarHBondContact O-CB 3.49Å; E112-V115 PolarHBondContact O-N 2.92Å; E112-R116 HydrophobicContact CG-CG 4.18Å; E112-R116 WeakPolarHBondContact O-CG 3.49Å; E112-R116 PolarHBondContact O-N 3.43Å; E112-R116 IonicContact OE1-CZ 3.88Å; E112-R116 VanDerWaalsContact OE1-CZ 3.26Å; E112-R116 IonicContact OE1-NE 3.9Å; E112-R116 PolarHBondContact OE1-NE 3Å; E112-R116 IonicContact OE1-NH2 3.65Å; E112-R116 PolarHBondContact OE1-NH2 3.17Å
113V69.8Low72.7Confident59 Ų5954 Ų5436%0.35829%0.294SS..Hα-helixtrans-53.8-38.4177.1-165.90000112.8S111 A117 L369S111-V113 PolarHBondContact O-N 3.21Å; V113-A117 WeakPolarHBondContact O-CB 3.39Å; V113-A117 PolarHBondContact O-N 3.12Å; V113-L369 HydrophobicContact CG1-CD2 3.51Å
114H69.1Low73.6Confident71 Ų7150.7 Ų50.733%0.32927%0.269SS..Hα-helixtrans-70.3-36.1175.2-69.798000112.2F107 S111 E112 A117 V118F107-H114 HydrophobicContact CZ-CB 4.32Å; S111-H114 WeakPolarHBondContact O-CB 3.46Å; S111-H114 PolarHBondContact O-N 3.32Å; S111-H114 PolarHBondContact OG-ND1 2.97Å; E112-H114 VanDerWaalsContact C-N 3.26Å; E112-H114 PolarHBondContact O-N 3.4Å; H114-A117 PolarHBondContact O-N 3.18Å; H114-V118 WeakPolarHBondContact O-CG2 3.19Å; H114-V118 PolarHBondContact O-N 3.26Å
115V78.6Confident74.6Confident26 Ų2649 Ų4916%0.15826%0.261CS..Hα-helixtrans-64.8-47.1175.4-176.10000109.6L101 F107 E112 A117 V118 Q119L101-V115 HydrophobicContact CD1-CG1 3.75Å; F107-V115 HydrophobicContact CE1-CG2 4.36Å; E112-V115 WeakPolarHBondContact O-CA 3.46Å; E112-V115 WeakPolarHBondContact O-CB 3.49Å; E112-V115 PolarHBondContact O-N 2.92Å; V115-A117 VanDerWaalsContact C-N 3.33Å; V115-A117 PolarHBondContact O-N 2.82Å; V115-V118 PolarHBondContact O-N 2.92Å; V115-Q119 WeakPolarHBondContact O-CG 3.4Å; V115-Q119 PolarHBondContact O-N 3.11Å
116R84.4Confident75.8Confident47 Ų4741.3 Ų41.318%0.17723%0.226CC..Hα-helixtrans-62.5-37.4176.3-53.3-44.8-178.8178.65.1112.3E112 Q119 F120 I149 L153E112-R116 HydrophobicContact CG-CG 4.18Å; E112-R116 WeakPolarHBondContact O-CG 3.49Å; E112-R116 PolarHBondContact O-N 3.43Å; E112-R116 IonicContact OE1-CZ 3.88Å; E112-R116 VanDerWaalsContact OE1-CZ 3.26Å; E112-R116 IonicContact OE1-NE 3.9Å; E112-R116 PolarHBondContact OE1-NE 3Å; E112-R116 IonicContact OE1-NH2 3.65Å; E112-R116 PolarHBondContact OE1-NH2 3.17Å; R116-Q119 PolarHBondContact O-N 3.29Å; R116-F120 PolarHBondContact O-N 2.67Å; R116-I149 HydrophobicContact CG-CG1 4.37Å; R116-L153 HydrophobicContact CB-CD2 3.68Å
117A80Confident77Confident7 Ų736.7 Ų36.76%0.05820%0.201CC..Hα-helixtrans-65.1-42.9174.200000112.6V113 H114 V115 F120 H121 I365V113-A117 WeakPolarHBondContact O-CB 3.39Å; V113-A117 PolarHBondContact O-N 3.12Å; H114-A117 PolarHBondContact O-N 3.18Å; V115-A117 VanDerWaalsContact C-N 3.33Å; V115-A117 PolarHBondContact O-N 2.82Å; A117-F120 WeakPolarHBondContact O-CB 3.44Å; A117-F120 PolarHBondContact O-N 3.11Å; A117-H121 PolarHBondContact O-CD2 3.13Å; A117-H121 PolarHBondContact O-N 3.08Å; A117-I365 HydrophobicContact CB-CD1 4.08Å
118V83.2Confident78Confident0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-62.5-43.2174168.80000111.3Y78 F97 L100 L101 F107 H114 V115 F120 H121 I122Y78-V118 HydrophobicContact CD2-CG2 3.79Å; Y78-V118 HydrophobicContact CE2-CG2 3.58Å; F97-V118 HydrophobicContact CB-CG1 4.14Å; F97-V118 HydrophobicContact CD1-CG1 4.14Å; F97-V118 HydrophobicContact CD1-CG2 4.32Å; L100-V118 HydrophobicContact CD2-CG2 3.93Å; L101-V118 HydrophobicContact CB-CG1 4.21Å; F107-V118 HydrophobicContact CE1-CB 4.41Å; F107-V118 HydrophobicContact CE1-CG2 3.94Å; F107-V118 HydrophobicContact CZ-CG2 3.75Å; H114-V118 WeakPolarHBondContact O-CG2 3.19Å; H114-V118 PolarHBondContact O-N 3.26Å; V115-V118 PolarHBondContact O-N 2.92Å; V118-F120 VanDerWaalsContact C-N 3.32Å; V118-F120 PolarHBondContact O-N 3.45Å; V118-H121 PolarHBondContact O-N 3.44Å; V118-H121 VanDerWaalsContact O-N 3.16Å; V118-I122 HydrophobicContact CG1-CD1 4.03Å; V118-I122 WeakPolarHBondContact O-CG1 3.32Å; V118-I122 PolarHBondContact O-N 2.98Å
119Q86.9Confident79.3Confident36 Ų3641.5 Ų41.517%0.16821%0.21CC..Hα-helixtrans-59.4-41.1174.7-68.3-178-75.900111.9L101 V115 R116 I122 A123 L142L101-Q119 HydrophobicContact CD2-CG 3.97Å; V115-Q119 WeakPolarHBondContact O-CG 3.4Å; V115-Q119 PolarHBondContact O-N 3.11Å; R116-Q119 PolarHBondContact O-N 3.29Å; Q119-I122 PolarHBondContact O-N 2.86Å; Q119-A123 PolarHBondContact O-N 2.88Å; Q119-L142 HydrophobicContact CB-CD1 4Å; Q119-L142 HydrophobicContact CB-CD2 3.8Å; Q119-L142 HydrophobicContact CB-CG 4.35Å
120F88.1Confident80.6Confident8 Ų836.3 Ų36.34%0.03520%0.202CC..Hα-helixtrans-63.3-40.3173.6172.3-98.6000112.9R116 A117 V118 A123 H124 Y139 L142 L153 L157 Q160R116-F120 PolarHBondContact O-N 2.67Å; A117-F120 WeakPolarHBondContact O-CB 3.44Å; A117-F120 PolarHBondContact O-N 3.11Å; V118-F120 VanDerWaalsContact C-N 3.32Å; V118-F120 PolarHBondContact O-N 3.45Å; F120-A123 PolarHBondContact O-N 3.09Å; F120-H124 PolarHBondContact O-N 3.29Å; F120-Y139 HydrophobicContact CD2-CD1 4.44Å; F120-Y139 HydrophobicContact CD2-CE1 4.12Å; F120-Y139 HydrophobicContact CE2-CE1 4.16Å; F120-L142 HydrophobicContact CB-CD1 4.26Å; F120-L153 HydrophobicContact CB-CD1 3.83Å; F120-L153 HydrophobicContact CD1-CD1 4.26Å; F120-L153 HydrophobicContact CD2-CD1 3.96Å; F120-L153 HydrophobicContact CG-CD1 3.76Å; F120-L157 HydrophobicContact CD2-CD2 3.75Å; F120-L157 HydrophobicContact CD2-CG 4.05Å; F120-L157 HydrophobicContact CE2-CD2 4.35Å; F120-L157 HydrophobicContact CE2-CG 4.46Å; F120-Q160 HydrophobicContact CE2-CG 3.69Å; F120-Q160 HydrophobicContact CZ-CG 3.73Å
121H85.4Confident81.9Confident4 Ų436.3 Ų36.32%0.01920%0.197CC..Hα-helixtrans-65.9-36.6174.3-75.7-67.1000112.8F85 F97 A117 V118 H124 C125 I365F85-H121 AromaticContact CE1-ND1 3.89Å; F85-H121 AromaticContact CZ-ND1 3.79Å; F97-H121 HydrophobicContact CD1-CB 4.46Å; F97-H121 HydrophobicContact CD2-CB 4Å; F97-H121 HydrophobicContact CE1-CB 4.16Å; F97-H121 HydrophobicContact CE2-CB 3.69Å; F97-H121 HydrophobicContact CG-CB 4.4Å; F97-H121 HydrophobicContact CZ-CB 3.77Å; F97-H121 AromaticContact CZ-CG 3.93Å; A117-H121 PolarHBondContact O-CD2 3.13Å; A117-H121 PolarHBondContact O-N 3.08Å; V118-H121 PolarHBondContact O-N 3.44Å; V118-H121 VanDerWaalsContact O-N 3.16Å; H121-H124 PolarHBondContact O-N 3.07Å; H121-C125 WeakPolarHBondContact O-CB 3.28Å; H121-C125 PolarHBondContact O-N 3.46Å; H121-C125 PolarHBondContact O-SG 2.79Å; H121-I365 WeakPolarHBondContact NE2-CD1 3.28Å
122I88Confident83Confident9 Ų935 Ų355%0.04618%0.184CC..Hα-helixtrans-61.4-51.3172.5-71168.5000110.1L94 F97 E98 L101 V118 Q119 H124 C125 L126L94-I122 HydrophobicContact CD1-CB 4.32Å; L94-I122 HydrophobicContact CD1-CG1 4.31Å; L94-I122 HydrophobicContact CD1-CG2 3.86Å; F97-I122 HydrophobicContact CB-CD1 4.13Å; F97-I122 HydrophobicContact CB-CG1 3.65Å; E98-I122 HydrophobicContact CG-CD1 4.39Å; L101-I122 HydrophobicContact CB-CD1 4.41Å; L101-I122 HydrophobicContact CD2-CD1 3.65Å; V118-I122 HydrophobicContact CG1-CD1 4.03Å; V118-I122 WeakPolarHBondContact O-CG1 3.32Å; V118-I122 PolarHBondContact O-N 2.98Å; Q119-I122 PolarHBondContact O-N 2.86Å; I122-H124 VanDerWaalsContact C-N 3.3Å; I122-H124 PolarHBondContact O-N 3.21Å; I122-C125 WeakPolarHBondContact O-CB 3.16Å; I122-C125 PolarHBondContact O-N 3.4Å; I122-C125 VanDerWaalsContact O-N 3.1Å; I122-L126 HydrophobicContact CG2-CD1 4.22Å; I122-L126 WeakPolarHBondContact O-CG 3.2Å; I122-L126 PolarHBondContact O-N 3.36Å
123A89.2Confident83.8Confident0 Ų039.5 Ų39.50%020%0.197CC..Hα-helixtrans-57-41.4177.200000112.4Q119 F120 L126 E127 A135 E138 Y139Q119-A123 PolarHBondContact O-N 2.88Å; F120-A123 PolarHBondContact O-N 3.09Å; A123-L126 WeakPolarHBondContact O-CB 3.44Å; A123-L126 PolarHBondContact O-N 3.13Å; A123-E127 PolarHBondContact O-N 2.98Å; A123-A135 VanDerWaalsContact O-CB 3.27Å; A123-A135 WeakPolarHBondContact O-CB 3.45Å; A123-E138 HydrophobicContact CB-CB 3.75Å; A123-Y139 HydrophobicContact CB-CD1 3.54Å; A123-Y139 HydrophobicContact CB-CE1 3.45Å; A123-Y139 VanDerWaalsContact CB-CE1 3.45Å; A123-Y139 HydrophobicContact CB-CG 4.4Å
124H86.6Confident84.7Confident15 Ų1542.2 Ų42.27%0.06920%0.204CC..Hα-helixtrans-71.6-33176.4-155.862.9000113.4F85 F120 H121 I122 L126 E127 L128 Y139 Q160F85-H124 HydrophobicContact CE2-CB 4.32Å; F85-H124 AromaticContact CE2-CD2 3.88Å; F85-H124 HydrophobicContact CZ-CB 4.45Å; F85-H124 AromaticContact CZ-CD2 3.59Å; F120-H124 PolarHBondContact O-N 3.29Å; H121-H124 PolarHBondContact O-N 3.07Å; I122-H124 VanDerWaalsContact C-N 3.3Å; I122-H124 PolarHBondContact O-N 3.21Å; H124-L126 VanDerWaalsContact C-N 3.32Å; H124-E127 IonicContact CE1-OE2 3.29Å; H124-E127 PolarHBondContact CE1-OE2 2.97Å; H124-E127 IonicContact ND1-OE2 2.99Å; H124-E127 PolarHBondContact ND1-OE2 3.31Å; H124-E127 VanDerWaalsContact ND1-OE2 3.1Å; H124-E127 PolarHBondContact O-N 3.36Å; H124-L128 WeakPolarHBondContact O-CG 3.48Å; H124-L128 PolarHBondContact O-N 3.03Å; H124-Y139 WeakPolarHBondContact CA-OH 3.41Å; H124-Y139 PolarHBondContact ND1-OH 3.41Å; H124-Q160 PolarHBondContact CE1-NE2 3.4Å; H124-Q160 PolarHBondContact ND1-NE2 2.92Å
125C86.1Confident85.7Confident0 Ų038.9 Ų38.90%019%0.188CC..Hα-helixtrans-64.6-37.2170.9-68.70000111.6L94 H121 I122 K129L94-C125 HydrophobicContact CB-CB 3.94Å; L94-C125 HydrophobicContact CD1-CB 4.03Å; L94-C125 HydrophobicContact CG-CB 4.44Å; H121-C125 WeakPolarHBondContact O-CB 3.28Å; H121-C125 PolarHBondContact O-N 3.46Å; H121-C125 PolarHBondContact O-SG 2.79Å; I122-C125 WeakPolarHBondContact O-CB 3.16Å; I122-C125 PolarHBondContact O-N 3.4Å; I122-C125 VanDerWaalsContact O-N 3.1Å; C125-K129 WeakPolarHBondContact O-CB 3.36Å; C125-K129 PolarHBondContact O-N 2.98Å
126L87.8Confident86.2Confident15 Ų1538.7 Ų38.78%0.07919%0.186CC..Hα-helixtrans-65.9-40.1173.8-67.1169.5000111.8L94 I122 A123 H124 K129 G130 E131 K134 A135 E138L94-L126 HydrophobicContact CD2-CD2 4.17Å; I122-L126 HydrophobicContact CG2-CD1 4.22Å; I122-L126 WeakPolarHBondContact O-CG 3.2Å; I122-L126 PolarHBondContact O-N 3.36Å; A123-L126 WeakPolarHBondContact O-CB 3.44Å; A123-L126 PolarHBondContact O-N 3.13Å; H124-L126 VanDerWaalsContact C-N 3.32Å; L126-K129 PolarHBondContact O-N 3.2Å; L126-G130 PolarHBondContact O-N 3.24Å; L126-E131 HydrophobicContact CB-CB 4.48Å; L126-E131 HydrophobicContact CD2-CB 4.4Å; L126-E131 PolarHBondContact O-N 3.19Å; L126-K134 HydrophobicContact CD1-CB 4.18Å; L126-A135 HydrophobicContact CB-CB 4.06Å; L126-E138 HydrophobicContact CD1-CG 4.42Å
127E87Confident86.5Confident4 Ų440.3 Ų40.32%0.01920%0.198CC..Hα-helixtrans-59.7-49.8174.4-171-166.7147.100111.2A123 H124 K129 G130 L132 A135 Y139 L164 R167A123-E127 PolarHBondContact O-N 2.98Å; H124-E127 IonicContact CE1-OE2 3.29Å; H124-E127 PolarHBondContact CE1-OE2 2.97Å; H124-E127 IonicContact ND1-OE2 2.99Å; H124-E127 PolarHBondContact ND1-OE2 3.31Å; H124-E127 VanDerWaalsContact ND1-OE2 3.1Å; H124-E127 PolarHBondContact O-N 3.36Å; E127-K129 VanDerWaalsContact C-N 3.31Å; E127-K129 PolarHBondContact O-N 3.36Å; E127-G130 PolarHBondContact O-N 2.7Å; E127-L132 HydrophobicContact CG-CD2 4.09Å; E127-A135 HydrophobicContact CB-CB 3.83Å; E127-Y139 PolarHBondContact OE2-OH 2.78Å; E127-L164 HydrophobicContact CG-CD1 4.23Å; E127-R167 IonicContact OE1-NH1 2.68Å; E127-R167 PolarHBondContact OE1-NH1 3.43Å
128L83Confident87Confident72 Ų7242.8 Ų42.838%0.37721%0.208SC..Hα-helixtrans-73.1-21.7-178.3-63.2179.2000113.3H90 H124 G130H90-L128 WeakPolarHBondContact CE1-CD1 3.35Å; H124-L128 WeakPolarHBondContact O-CG 3.48Å; H124-L128 PolarHBondContact O-N 3.03Å; L128-G130 VanDerWaalsContact C-N 3.27Å
129K82.7Confident87.4Confident119 Ų11942.8 Ų42.852%0.51721%0.208SC..THydrogen-bonded Turntrans-76.8-11.9168.5-170-177.6177.2-159.20112.8L94 C125 L126 E127 E131L94-K129 HydrophobicContact CD2-CD 4.31Å; C125-K129 WeakPolarHBondContact O-CB 3.36Å; C125-K129 PolarHBondContact O-N 2.98Å; L126-K129 PolarHBondContact O-N 3.2Å; E127-K129 VanDerWaalsContact C-N 3.31Å; E127-K129 PolarHBondContact O-N 3.36Å; K129-E131 WeakPolarHBondContact CD-OE1 3.48Å; K129-E131 WeakPolarHBondContact CE-OE1 3.24Å; K129-E131 IonicContact NZ-OE1 2.67Å; K129-E131 PolarHBondContact NZ-OE1 2.94Å
130G83.3Confident87.6Confident52 Ų5247.6 Ų47.654%0.53623%0.225SC..THydrogen-bonded Turntrans88.26.6-178.600000114.9L126 E127 L128 L132L126-G130 PolarHBondContact O-N 3.24Å; E127-G130 PolarHBondContact O-N 2.7Å; L128-G130 VanDerWaalsContact C-N 3.27Å; G130-L132 PolarHBondContact O-N 3.41Å
131E86.7Confident87.8Confident56 Ų5650 Ų5026%0.26224%0.243SC..  trans-82.852175.6-64.7-169.2-126.300111.1L126 K129 R133 K134 A135L126-E131 HydrophobicContact CB-CB 4.48Å; L126-E131 HydrophobicContact CD2-CB 4.4Å; L126-E131 PolarHBondContact O-N 3.19Å; K129-E131 WeakPolarHBondContact CD-OE1 3.48Å; K129-E131 WeakPolarHBondContact CE-OE1 3.24Å; K129-E131 IonicContact NZ-OE1 2.67Å; K129-E131 PolarHBondContact NZ-OE1 2.94Å; E131-R133 VanDerWaalsContact C-N 3.32Å; E131-R133 PolarHBondContact O-N 3.1Å; E131-R133 VanDerWaalsContact O-N 3.16Å; E131-K134 HydrophobicContact CB-CD 4.48Å; E131-K134 PolarHBondContact O-N 2.84Å; E131-K134 WeakPolarHBondContact OE2-CD 3.41Å; E131-K134 WeakPolarHBondContact OE2-CE 3.48Å; E131-K134 IonicContact OE2-NZ 2.74Å; E131-K134 PolarHBondContact OE2-NZ 3.5Å; E131-A135 PolarHBondContact O-N 3.36Å; E131-A135 VanDerWaalsContact O-N 3.15Å
132L86.9Confident87.9Confident41 Ų4149.9 Ų49.922%0.21524%0.242CC..Hα-helixtrans-50.8-45-166.3-59.4-177.4000113.4E127 G130 K134 A135 H136 D168E127-L132 HydrophobicContact CG-CD2 4.09Å; G130-L132 PolarHBondContact O-N 3.41Å; L132-K134 VanDerWaalsContact C-N 3.34Å; L132-K134 PolarHBondContact O-N 3.18Å; L132-A135 WeakPolarHBondContact O-CB 3.49Å; L132-A135 PolarHBondContact O-N 3.15Å; L132-A135 VanDerWaalsContact O-N 3.16Å; L132-H136 WeakPolarHBondContact O-CB 3.5Å; L132-H136 PolarHBondContact O-N 2.92Å; L132-D168 WeakPolarHBondContact CB-OD2 3.46Å; L132-D168 HydrophobicContact CD1-CB 4.05Å
133R87.2Confident88Confident189 Ų18951.3 Ų51.371%0.71325%0.25SC*.Hα-helixtrans-59.7-40.9179-173171.9-179.5159.92.2113E131 D137E131-R133 VanDerWaalsContact C-N 3.32Å; E131-R133 PolarHBondContact O-N 3.1Å; E131-R133 VanDerWaalsContact O-N 3.16Å; R133-D137 WeakPolarHBondContact O-CB 3.48Å; R133-D137 PolarHBondContact O-N 2.97Å
134K88.7Confident87.9Confident116 Ų11655.8 Ų55.850%0.50428%0.281SS..Hα-helixtrans-68.5-41.3175.6-64.8-174.5-174.6167.30111.3L126 E131 L132 H136 D137 E138L126-K134 HydrophobicContact CD1-CB 4.18Å; E131-K134 HydrophobicContact CB-CD 4.48Å; E131-K134 PolarHBondContact O-N 2.84Å; E131-K134 WeakPolarHBondContact OE2-CD 3.41Å; E131-K134 WeakPolarHBondContact OE2-CE 3.48Å; E131-K134 IonicContact OE2-NZ 2.74Å; E131-K134 PolarHBondContact OE2-NZ 3.5Å; L132-K134 VanDerWaalsContact C-N 3.34Å; L132-K134 PolarHBondContact O-N 3.18Å; K134-H136 VanDerWaalsContact C-N 3.35Å; K134-H136 PolarHBondContact O-N 3.03Å; K134-D137 PolarHBondContact O-N 2.96Å; K134-E138 WeakPolarHBondContact O-CB 3.42Å; K134-E138 WeakPolarHBondContact O-CG 3.39Å; K134-E138 PolarHBondContact O-N 2.95Å
135A88.9Confident87.8Confident0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-62-42.6176.800000112A123 L126 E127 E131 L132 Y139 L164A123-A135 VanDerWaalsContact O-CB 3.27Å; A123-A135 WeakPolarHBondContact O-CB 3.45Å; L126-A135 HydrophobicContact CB-CB 4.06Å; E127-A135 HydrophobicContact CB-CB 3.83Å; E131-A135 PolarHBondContact O-N 3.36Å; E131-A135 VanDerWaalsContact O-N 3.15Å; L132-A135 WeakPolarHBondContact O-CB 3.49Å; L132-A135 PolarHBondContact O-N 3.15Å; L132-A135 VanDerWaalsContact O-N 3.16Å; A135-Y139 HydrophobicContact CB-CE2 4.42Å; A135-Y139 WeakPolarHBondContact O-CB 3.44Å; A135-Y139 WeakPolarHBondContact O-CD2 3.36Å; A135-Y139 PolarHBondContact O-N 3.21Å; A135-L164 HydrophobicContact CB-CD1 3.82Å
136H90.7Very high87.3Confident23 Ų2359.6 Ų59.611%0.10631%0.309CS..Hα-helixtrans-58.1-49172.1169.1-88.5000112L132 K134 Y139 R140 L164L132-H136 WeakPolarHBondContact O-CB 3.5Å; L132-H136 PolarHBondContact O-N 2.92Å; K134-H136 VanDerWaalsContact C-N 3.35Å; K134-H136 PolarHBondContact O-N 3.03Å; H136-Y139 PolarHBondContact O-N 3.1Å; H136-R140 PolarHBondContact CE1-NE 3.02Å; H136-R140 VanDerWaalsContact NE2-CZ 3.32Å; H136-R140 PolarHBondContact NE2-NE 3.34Å; H136-R140 PolarHBondContact NE2-NH2 3.33Å; H136-R140 WeakPolarHBondContact O-CG 3.46Å; H136-R140 PolarHBondContact O-N 3.28Å; H136-L164 HydrophobicContact CB-CD1 4.08Å; H136-L164 HydrophobicContact CB-CD2 3.84Å
137D91Very high86.6Confident80 Ų8066.2 Ų66.243%0.42835%0.345SS..Hα-helixtrans-69-36.1-176.9-65-14.9000111.4R133 K134 R140 S141R133-D137 WeakPolarHBondContact O-CB 3.48Å; R133-D137 PolarHBondContact O-N 2.97Å; K134-D137 PolarHBondContact O-N 2.96Å; D137-R140 PolarHBondContact O-N 3.29Å; D137-S141 VanDerWaalsContact O-CB 3.25Å; D137-S141 WeakPolarHBondContact O-CB 3.45Å; D137-S141 PolarHBondContact O-N 3.14Å
138E90.4Very high86.1Confident60 Ų6068.4 Ų68.428%0.2836%0.36SS..Hα-helixtrans-68.2-43170.9-73.7-65.5162.200112.9A123 L126 K134 R140 S141 L142A123-E138 HydrophobicContact CB-CB 3.75Å; L126-E138 HydrophobicContact CD1-CG 4.42Å; K134-E138 WeakPolarHBondContact O-CB 3.42Å; K134-E138 WeakPolarHBondContact O-CG 3.39Å; K134-E138 PolarHBondContact O-N 2.95Å; E138-R140 VanDerWaalsContact C-N 3.3Å; E138-R140 PolarHBondContact O-N 3.42Å; E138-S141 WeakPolarHBondContact O-CB 3.5Å; E138-S141 PolarHBondContact O-N 3.07Å; E138-L142 PolarHBondContact O-N 3.27Å
139Y91.7Very high86Confident0 Ų065.2 Ų65.20%034%0.344CS..Hα-helixtrans-60.7-40174.1-69.2-35.5000111.6F120 A123 H124 E127 A135 H136 L143 L157 Q160 L164F120-Y139 HydrophobicContact CD2-CD1 4.44Å; F120-Y139 HydrophobicContact CD2-CE1 4.12Å; F120-Y139 HydrophobicContact CE2-CE1 4.16Å; A123-Y139 HydrophobicContact CB-CD1 3.54Å; A123-Y139 HydrophobicContact CB-CE1 3.45Å; A123-Y139 VanDerWaalsContact CB-CE1 3.45Å; A123-Y139 HydrophobicContact CB-CG 4.4Å; H124-Y139 WeakPolarHBondContact CA-OH 3.41Å; H124-Y139 PolarHBondContact ND1-OH 3.41Å; E127-Y139 PolarHBondContact OE2-OH 2.78Å; A135-Y139 HydrophobicContact CB-CE2 4.42Å; A135-Y139 WeakPolarHBondContact O-CB 3.44Å; A135-Y139 WeakPolarHBondContact O-CD2 3.36Å; A135-Y139 PolarHBondContact O-N 3.21Å; H136-Y139 PolarHBondContact O-N 3.1Å; Y139-L143 WeakPolarHBondContact O-CG 3.2Å; Y139-L143 PolarHBondContact O-N 3.13Å; Y139-L157 HydrophobicContact CD1-CD2 3.76Å; Y139-L157 HydrophobicContact CG-CD2 4.39Å; Y139-Q160 HydrophobicContact CD2-CB 4.41Å; Y139-Q160 HydrophobicContact CE1-CB 4.07Å; Y139-Q160 HydrophobicContact CE1-CG 4.41Å; Y139-Q160 HydrophobicContact CE2-CB 3.71Å; Y139-Q160 WeakPolarHBondContact OH-CB 3.44Å; Y139-L164 HydrophobicContact CD2-CD1 4.01Å; Y139-L164 HydrophobicContact CE2-CD1 3.81Å
140R91.1Very high86Confident137 Ų13760.9 Ų60.952%0.51733%0.329SS..Hα-helixtrans-70.2-39.7173.8-73.5-162.6-170.6-150.610.5112.6H136 D137 E138 L142 L143 S144 L161H136-R140 PolarHBondContact CE1-NE 3.02Å; H136-R140 VanDerWaalsContact NE2-CZ 3.32Å; H136-R140 PolarHBondContact NE2-NE 3.34Å; H136-R140 PolarHBondContact NE2-NH2 3.33Å; H136-R140 WeakPolarHBondContact O-CG 3.46Å; H136-R140 PolarHBondContact O-N 3.28Å; D137-R140 PolarHBondContact O-N 3.29Å; E138-R140 VanDerWaalsContact C-N 3.3Å; E138-R140 PolarHBondContact O-N 3.42Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.39Å; R140-L143 PolarHBondContact O-N 2.84Å; R140-S144 WeakPolarHBondContact O-CB 3.47Å; R140-S144 PolarHBondContact O-N 3.41Å; R140-L161 HydrophobicContact CG-CD1 4.46Å; R140-L161 HydrophobicContact CG-CD2 4.31Å
141S90.4Very high86Confident58 Ų5862 Ų6241%0.40633%0.327SS..Hα-helixtrans-55.3-48.3174.2-176.70000110.2D137 E138 S144D137-S141 VanDerWaalsContact O-CB 3.25Å; D137-S141 WeakPolarHBondContact O-CB 3.45Å; D137-S141 PolarHBondContact O-N 3.14Å; E138-S141 WeakPolarHBondContact O-CB 3.5Å; E138-S141 PolarHBondContact O-N 3.07Å; S141-S144 WeakPolarHBondContact O-CB 3.16Å; S141-S144 PolarHBondContact O-N 3.05Å; S141-S144 PolarHBondContact O-OG 3.04Å
142L88.7Confident85.8Confident1 Ų161.1 Ų61.11%0.00532%0.323CS..Hα-helixtrans-61-51.7173.8-73.6168.6000112.4Q119 F120 E138 R140 S144 L145 I149 L157Q119-L142 HydrophobicContact CB-CD1 4Å; Q119-L142 HydrophobicContact CB-CD2 3.8Å; Q119-L142 HydrophobicContact CB-CG 4.35Å; F120-L142 HydrophobicContact CB-CD1 4.26Å; E138-L142 PolarHBondContact O-N 3.27Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.39Å; L142-S144 PolarHBondContact O-N 3.47Å; L142-S144 VanDerWaalsContact O-N 3.15Å; L142-L145 HydrophobicContact CD2-CD1 4.08Å; L142-L145 VanDerWaalsContact O-CB 3.31Å; L142-L145 WeakPolarHBondContact O-CB 3.39Å; L142-L145 WeakPolarHBondContact O-CG 3.36Å; L142-L145 PolarHBondContact O-N 3.01Å; L142-I149 HydrophobicContact CB-CD1 4.07Å; L142-I149 HydrophobicContact CD2-CD1 4.38Å; L142-I149 WeakPolarHBondContact O-CD1 3.49Å; L142-L157 HydrophobicContact CB-CD1 3.84Å; L142-L157 HydrophobicContact CB-CD2 3.89Å; L142-L157 HydrophobicContact CD1-CD2 3.87Å
143L89Confident85.7Confident40 Ų4059.3 Ų59.321%0.20931%0.313CS..Hα-helixtrans-59.1-27.4179-74.9170.4000113.7Y139 R140 L145 R154 L157 L161Y139-L143 WeakPolarHBondContact O-CG 3.2Å; Y139-L143 PolarHBondContact O-N 3.13Å; R140-L143 PolarHBondContact O-N 2.84Å; L143-L145 PolarHBondContact O-N 3.05Å; L143-R154 HydrophobicContact CD2-CG 3.9Å; L143-L157 HydrophobicContact CD1-CB 4.23Å; L143-L157 HydrophobicContact CD2-CB 3.64Å; L143-L157 HydrophobicContact CD2-CD1 4.06Å; L143-L157 HydrophobicContact CD2-CG 4.45Å; L143-L157 HydrophobicContact CG-CB 3.84Å; L143-L157 HydrophobicContact CG-CD1 4.23Å; L143-L157 HydrophobicContact CG-CG 4.48Å; L143-L161 HydrophobicContact CD1-CD2 3.7Å
144S88.5Confident85.8Confident93 Ų9352.5 Ų52.565%0.6529%0.288SS*.THydrogen-bonded Turntrans-67-16.5177.280.60000114.2R140 S141 L142 G146R140-S144 WeakPolarHBondContact O-CB 3.47Å; R140-S144 PolarHBondContact O-N 3.41Å; S141-S144 WeakPolarHBondContact O-CB 3.16Å; S141-S144 PolarHBondContact O-N 3.05Å; S141-S144 PolarHBondContact O-OG 3.04Å; L142-S144 PolarHBondContact O-N 3.47Å; L142-S144 VanDerWaalsContact O-N 3.15Å; S144-G146 PolarHBondContact O-N 2.91Å
145L83.9Confident85.8Confident61 Ų6147.1 Ų47.132%0.31926%0.264SS..THydrogen-bonded Turntrans-782-178.2-56.2169000114L142 L143 D147 S148 I149L142-L145 HydrophobicContact CD2-CD1 4.08Å; L142-L145 VanDerWaalsContact O-CB 3.31Å; L142-L145 WeakPolarHBondContact O-CB 3.39Å; L142-L145 WeakPolarHBondContact O-CG 3.36Å; L142-L145 PolarHBondContact O-N 3.01Å; L143-L145 PolarHBondContact O-N 3.05Å; L145-D147 PolarHBondContact O-N 2.92Å; L145-S148 VanDerWaalsContact CB-OG 3.3Å; L145-S148 WeakPolarHBondContact CB-OG 3.48Å; L145-S148 PolarHBondContact O-N 2.93Å; L145-S148 PolarHBondContact O-OG 3.4Å; L145-I149 HydrophobicContact CB-CD1 4.39Å; L145-I149 HydrophobicContact CD1-CD1 4.32Å
146G76.6Confident85.7Confident34 Ų3447.8 Ų47.835%0.35127%0.269SS..G310 helixtrans59.1-126.8171.300000113.5S144 S148 R154S144-G146 PolarHBondContact O-N 2.91Å; G146-S148 VanDerWaalsContact C-N 3.29Å; G146-S148 PolarHBondContact O-N 3.21Å; G146-R154 PolarHBondContact O-NH2 3.39Å
147D72.6Confident85.8Confident155 Ų15546.7 Ų46.783%0.82926%0.264SS*.G310 helixtrans-75.1-9.5-171.8-64.1-46000115.1L145 I149 R154L145-D147 PolarHBondContact O-N 2.92Å; D147-I149 PolarHBondContact O-N 3.49Å; D147-I149 VanDerWaalsContact O-N 3.16Å; D147-R154 IonicContact OD1-NH2 2.67Å
148S75.2Confident85.9Confident49 Ų4943.9 Ų43.934%0.34325%0.249SC..G310 helixtrans-68-8.4175.363.60000114.5L145 G146L145-S148 VanDerWaalsContact CB-OG 3.3Å; L145-S148 WeakPolarHBondContact CB-OG 3.48Å; L145-S148 PolarHBondContact O-N 2.93Å; L145-S148 PolarHBondContact O-OG 3.4Å; G146-S148 VanDerWaalsContact C-N 3.29Å; G146-S148 PolarHBondContact O-N 3.21Å
149I81.5Confident86Confident5 Ų542.3 Ų42.33%0.02624%0.24CC..SBendtrans-105.3135.3178.2-68.1-173.2000110.2R116 L142 L145 D147 L153 R154 L157R116-I149 HydrophobicContact CG-CG1 4.37Å; L142-I149 HydrophobicContact CB-CD1 4.07Å; L142-I149 HydrophobicContact CD2-CD1 4.38Å; L142-I149 WeakPolarHBondContact O-CD1 3.49Å; L145-I149 HydrophobicContact CB-CD1 4.39Å; L145-I149 HydrophobicContact CD1-CD1 4.32Å; D147-I149 PolarHBondContact O-N 3.49Å; D147-I149 VanDerWaalsContact O-N 3.16Å; I149-L153 HydrophobicContact CG2-CB 3.78Å; I149-L153 HydrophobicContact CG2-CD2 4Å; I149-L153 HydrophobicContact CG2-CG 3.72Å; I149-R154 HydrophobicContact CG2-CB 4.09Å; I149-R154 PolarHBondContact O-NH2 2.65Å; I149-L157 HydrophobicContact CD1-CD1 3.86Å; I149-L157 HydrophobicContact CG2-CD1 4.29Å
150S82.4Confident86Confident29 Ų2942.7 Ų42.720%0.20324%0.242CC..  trans-6214617772.60000111.4M152 L153 R154S150-M152 PolarHBondContact O-N 2.72Å; S150-L153 PolarHBondContact O-N 3.13Å; S150-L153 PolarHBondContact OG-N 2.96Å; S150-R154 PolarHBondContact O-N 3.13Å
151P83.6Confident86Confident76 Ų7636.4 Ų36.449%0.49422%0.218SC..Hα-helixtrans-53-34.8-178-28.835.6000113.7R154 A155P151-R154 PolarHBondContact O-N 3.01Å; P151-A155 WeakPolarHBondContact O-CB 3.28Å; P151-A155 PolarHBondContact O-N 2.77Å
152M82.4Confident86.1Confident37 Ų3733.6 Ų33.618%0.18220%0.199CC..Hα-helixtrans-76.8-32.6-179.9-165.665.481.400113.8S150 S156 D192 I367S150-M152 PolarHBondContact O-N 2.72Å; M152-S156 WeakPolarHBondContact O-CB 3.36Å; M152-S156 PolarHBondContact O-N 3.25Å; M152-S156 PolarHBondContact O-OG 3.16Å; M152-D192 HydrophobicContact CE-CB 4.24Å; M152-D192 HydrophobicContact SD-CB 3.64Å; M152-D192 VanDerWaalsContact SD-CG 3.52Å; M152-D192 VanDerWaalsContact SD-OD2 3.42Å; M152-I367 HydrophobicContact CB-CG2 4.14Å; M152-I367 HydrophobicContact CG-CB 4.38Å; M152-I367 HydrophobicContact CG-CG2 4.27Å
153L85Confident86.2Confident3 Ų335.3 Ų35.32%0.01621%0.205CC..Hα-helixtrans-71.8-36.3169.3175.955.6000110.5R116 F120 I149 S150 S156 L157 I367R116-L153 HydrophobicContact CB-CD2 3.68Å; F120-L153 HydrophobicContact CB-CD1 3.83Å; F120-L153 HydrophobicContact CD1-CD1 4.26Å; F120-L153 HydrophobicContact CD2-CD1 3.96Å; F120-L153 HydrophobicContact CG-CD1 3.76Å; I149-L153 HydrophobicContact CG2-CB 3.78Å; I149-L153 HydrophobicContact CG2-CD2 4Å; I149-L153 HydrophobicContact CG2-CG 3.72Å; S150-L153 PolarHBondContact O-N 3.13Å; S150-L153 PolarHBondContact OG-N 2.96Å; L153-S156 PolarHBondContact O-N 3.46Å; L153-L157 HydrophobicContact CD1-CD1 4.37Å; L153-L157 HydrophobicContact CD1-CG 4.33Å; L153-L157 HydrophobicContact CG-CD1 4.2Å; L153-L157 WeakPolarHBondContact O-CB 3.45Å; L153-L157 WeakPolarHBondContact O-CG 3.26Å; L153-L157 PolarHBondContact O-N 3.26Å; L153-I367 HydrophobicContact CB-CD1 4.26Å; L153-I367 HydrophobicContact CB-CG2 4.27Å; L153-I367 HydrophobicContact CD1-CD1 3.79Å
154R89.1Confident86.3Confident46 Ų4633.4 Ų33.417%0.17420%0.195CC..Hα-helixtrans-61.6-44.8171.7-166.6-176.8-63114.27.5111.4L143 G146 D147 I149 S150 P151 S156 L157 H158 L191L143-R154 HydrophobicContact CD2-CG 3.9Å; G146-R154 PolarHBondContact O-NH2 3.39Å; D147-R154 IonicContact OD1-NH2 2.67Å; I149-R154 HydrophobicContact CG2-CB 4.09Å; I149-R154 PolarHBondContact O-NH2 2.65Å; S150-R154 PolarHBondContact O-N 3.13Å; P151-R154 PolarHBondContact O-N 3.01Å; R154-S156 VanDerWaalsContact C-N 3.33Å; R154-S156 PolarHBondContact O-N 3.31Å; R154-L157 PolarHBondContact O-N 2.74Å; R154-H158 PolarHBondContact O-CD2 3.17Å; R154-H158 PolarHBondContact O-N 2.9Å; R154-L191 HydrophobicContact CB-CD1 4.05Å; R154-L191 HydrophobicContact CG-CD1 3.77Å
155A89.2Confident86.5Confident2 Ų229.8 Ų29.82%0.01717%0.168CC..Hα-helixtrans-57.7-44.917300000111.8P151 H158 R159 S188 L191 D192P151-A155 WeakPolarHBondContact O-CB 3.28Å; P151-A155 PolarHBondContact O-N 2.77Å; A155-H158 PolarHBondContact O-N 3.08Å; A155-R159 WeakPolarHBondContact O-CB 3.4Å; A155-R159 PolarHBondContact O-N 3.46Å; A155-S188 WeakPolarHBondContact O-CB 3.13Å; A155-S188 PolarHBondContact O-OG 3.13Å; A155-L191 HydrophobicContact CB-CB 3.67Å; A155-L191 HydrophobicContact CB-CD1 4.46Å; A155-D192 HydrophobicContact CB-CB 3.82Å
156S87.5Confident86.8Confident14 Ų1428.3 Ų28.310%0.09816%0.159CC..Hα-helixtrans-65.2-37.7177.6-67.10000113M152 L153 R154 R159 Q160M152-S156 WeakPolarHBondContact O-CB 3.36Å; M152-S156 PolarHBondContact O-N 3.25Å; M152-S156 PolarHBondContact O-OG 3.16Å; L153-S156 PolarHBondContact O-N 3.46Å; R154-S156 VanDerWaalsContact C-N 3.33Å; R154-S156 PolarHBondContact O-N 3.31Å; S156-R159 WeakPolarHBondContact O-CB 3.44Å; S156-R159 PolarHBondContact O-N 3.17Å; S156-Q160 WeakPolarHBondContact O-CG 3.28Å; S156-Q160 PolarHBondContact O-N 2.86Å
157L91.7Very high87.3Confident0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-63.8-50.8174.3-79.6161000111.5F120 Y139 L142 L143 I149 L153 R154 R159 Q160 L161F120-L157 HydrophobicContact CD2-CD2 3.75Å; F120-L157 HydrophobicContact CD2-CG 4.05Å; F120-L157 HydrophobicContact CE2-CD2 4.35Å; F120-L157 HydrophobicContact CE2-CG 4.46Å; Y139-L157 HydrophobicContact CD1-CD2 3.76Å; Y139-L157 HydrophobicContact CG-CD2 4.39Å; L142-L157 HydrophobicContact CB-CD1 3.84Å; L142-L157 HydrophobicContact CB-CD2 3.89Å; L142-L157 HydrophobicContact CD1-CD2 3.87Å; L143-L157 HydrophobicContact CD1-CB 4.23Å; L143-L157 HydrophobicContact CD2-CB 3.64Å; L143-L157 HydrophobicContact CD2-CD1 4.06Å; L143-L157 HydrophobicContact CD2-CG 4.45Å; L143-L157 HydrophobicContact CG-CB 3.84Å; L143-L157 HydrophobicContact CG-CD1 4.23Å; L143-L157 HydrophobicContact CG-CG 4.48Å; I149-L157 HydrophobicContact CD1-CD1 3.86Å; I149-L157 HydrophobicContact CG2-CD1 4.29Å; L153-L157 HydrophobicContact CD1-CD1 4.37Å; L153-L157 HydrophobicContact CD1-CG 4.33Å; L153-L157 HydrophobicContact CG-CD1 4.2Å; L153-L157 WeakPolarHBondContact O-CB 3.45Å; L153-L157 WeakPolarHBondContact O-CG 3.26Å; L153-L157 PolarHBondContact O-N 3.26Å; R154-L157 PolarHBondContact O-N 2.74Å; L157-R159 PolarHBondContact O-N 3.32Å; L157-Q160 PolarHBondContact O-N 2.86Å; L157-L161 VanDerWaalsContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CB 3.45Å; L157-L161 PolarHBondContact O-N 3.48Å
158H93.3Very high87.9Confident22 Ų2225.5 Ų25.510%0.10213%0.128CC..Hα-helixtrans-59.1-36.7174.2-71.9-67.6000112.1R154 A155 G162 E184 R187R154-H158 PolarHBondContact O-CD2 3.17Å; R154-H158 PolarHBondContact O-N 2.9Å; A155-H158 PolarHBondContact O-N 3.08Å; H158-G162 PolarHBondContact O-N 2.86Å; H158-E184 WeakPolarHBondContact CB-O 3.29Å; H158-E184 IonicContact CE1-OE2 2.77Å; H158-E184 PolarHBondContact CE1-OE2 3.38Å; H158-E184 IonicContact CG-OE2 2.76Å; H158-E184 IonicContact ND1-OE2 3.69Å; H158-E184 PolarHBondContact ND1-OE2 2.89Å; H158-R187 HydrophobicContact CB-CB 4.49Å
159R92.6Very high88.3Confident26 Ų2630.5 Ų30.510%0.09815%0.146CC..Hα-helixtrans-63.2-46.6177.3-166.3-179.553.855.310.5113.1A155 S156 L157 W163 L185 S188 S198 Y201A155-R159 WeakPolarHBondContact O-CB 3.4Å; A155-R159 PolarHBondContact O-N 3.46Å; S156-R159 WeakPolarHBondContact O-CB 3.44Å; S156-R159 PolarHBondContact O-N 3.17Å; L157-R159 PolarHBondContact O-N 3.32Å; R159-W163 PolarHBondContact O-N 2.93Å; R159-L185 HydrophobicContact CG-CD2 4.43Å; R159-S188 WeakPolarHBondContact CB-OG 3.36Å; R159-S198 WeakPolarHBondContact CD-OG 3.36Å; R159-S198 WeakPolarHBondContact CG-OG 3.44Å; R159-Y201 HydrophobicContact CG-CD2 4.03Å; R159-Y201 HydrophobicContact CG-CE2 4.14Å
160Q91.2Very high88.3Confident8 Ų834.7 Ų34.74%0.03718%0.176CC..Hα-helixtrans-73.9-40.5177.3-55.3-63.43900111.2F120 H124 Y139 S156 L157 G162 W163 L164F120-Q160 HydrophobicContact CE2-CG 3.69Å; F120-Q160 HydrophobicContact CZ-CG 3.73Å; H124-Q160 PolarHBondContact CE1-NE2 3.4Å; H124-Q160 PolarHBondContact ND1-NE2 2.92Å; Y139-Q160 HydrophobicContact CD2-CB 4.41Å; Y139-Q160 HydrophobicContact CE1-CB 4.07Å; Y139-Q160 HydrophobicContact CE1-CG 4.41Å; Y139-Q160 HydrophobicContact CE2-CB 3.71Å; Y139-Q160 WeakPolarHBondContact OH-CB 3.44Å; S156-Q160 WeakPolarHBondContact O-CG 3.28Å; S156-Q160 PolarHBondContact O-N 2.86Å; L157-Q160 PolarHBondContact O-N 2.86Å; Q160-G162 PolarHBondContact O-N 3.4Å; Q160-W163 PolarHBondContact O-N 3.38Å; Q160-L164 WeakPolarHBondContact O-CB 3.44Å; Q160-L164 PolarHBondContact O-N 2.86Å
161L92.1Very high88.1Confident5 Ų535.4 Ų35.43%0.02618%0.18CC..Hα-helixtrans-61.4-43.9179-177.963.1000111.6R140 L143 L157 W163 L164 I165 E184R140-L161 HydrophobicContact CG-CD1 4.46Å; R140-L161 HydrophobicContact CG-CD2 4.31Å; L143-L161 HydrophobicContact CD1-CD2 3.7Å; L157-L161 VanDerWaalsContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CB 3.45Å; L157-L161 PolarHBondContact O-N 3.48Å; L161-W163 VanDerWaalsContact C-N 3.33Å; L161-W163 PolarHBondContact O-N 2.83Å; L161-L164 PolarHBondContact O-N 3.37Å; L161-I165 HydrophobicContact CD1-CD1 4.12Å; L161-I165 HydrophobicContact CD1-CG1 4.34Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 WeakPolarHBondContact O-CB 3.42Å; L161-I165 VanDerWaalsContact O-CG1 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.23Å; L161-I165 PolarHBondContact O-N 3.04Å; L161-E184 HydrophobicContact CD2-CG 4.46Å
162G92.2Very high88Confident0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-62.5-37.6174.700000113.2H158 Q160 F166 A181H158-G162 PolarHBondContact O-N 2.86Å; Q160-G162 PolarHBondContact O-N 3.4Å; G162-F166 WeakPolarHBondContact O-CB 3.3Å; G162-F166 PolarHBondContact O-N 3.35Å; G162-A181 WeakPolarHBondContact O-CB 3.39Å
163W91.5Very high88.2Confident36 Ų3635.9 Ų35.914%0.13619%0.187CC..Hα-helixtrans-71.9-37.7175.8-174.3-118.9000113.4R159 Q160 L161 F166 R167 Y201 R204R159-W163 PolarHBondContact O-N 2.93Å; Q160-W163 PolarHBondContact O-N 3.38Å; L161-W163 VanDerWaalsContact C-N 3.33Å; L161-W163 PolarHBondContact O-N 2.83Å; W163-F166 HydrophobicContact CE3-CB 4.45Å; W163-F166 AromaticContact CE3-CD1 3.81Å; W163-F166 HydrophobicContact CE3-CD1 3.81Å; W163-F166 HydrophobicContact CE3-CG 4.43Å; W163-F166 HydrophobicContact CH2-CD1 4.11Å; W163-F166 HydrophobicContact CH2-CE1 4.17Å; W163-F166 AromaticContact CZ3-CD1 3.44Å; W163-F166 HydrophobicContact CZ3-CD1 3.44Å; W163-F166 VanDerWaalsContact CZ3-CD1 3.44Å; W163-F166 AromaticContact CZ3-CE1 3.74Å; W163-F166 HydrophobicContact CZ3-CE1 3.74Å; W163-F166 HydrophobicContact CZ3-CG 4.38Å; W163-F166 PolarHBondContact O-N 2.75Å; W163-R167 HydrophobicContact CZ2-CG 4.4Å; W163-R167 WeakPolarHBondContact O-CG 3.15Å; W163-R167 PolarHBondContact O-N 2.87Å; W163-R167 VanDerWaalsContact O-N 3.11Å; W163-Y201 HydrophobicContact CB-CD2 3.66Å; W163-Y201 HydrophobicContact CB-CE2 3.52Å; W163-Y201 HydrophobicContact CB-CG 4.3Å; W163-Y201 AromaticContact CD1-CZ 3.73Å; W163-Y201 AromaticContact CD2-CD1 3.68Å; W163-Y201 HydrophobicContact CD2-CD1 3.68Å; W163-Y201 HydrophobicContact CD2-CD2 4.15Å; W163-Y201 AromaticContact CD2-CE1 3.62Å; W163-Y201 HydrophobicContact CD2-CE1 3.62Å; W163-Y201 HydrophobicContact CD2-CE2 4.04Å; W163-Y201 AromaticContact CD2-CG 3.96Å; W163-Y201 HydrophobicContact CD2-CG 3.96Å; W163-Y201 AromaticContact CD2-CZ 3.78Å; W163-Y201 AromaticContact CE2-CE1 3.72Å; W163-Y201 AromaticContact CE3-CD1 3.51Å; W163-Y201 HydrophobicContact CE3-CD1 3.51Å; W163-Y201 HydrophobicContact CE3-CD2 4.24Å; W163-Y201 AromaticContact CE3-CE1 3.95Å; W163-Y201 HydrophobicContact CE3-CE1 3.95Å; W163-Y201 AromaticContact CE3-CG 3.68Å; W163-Y201 HydrophobicContact CE3-CG 3.68Å; W163-Y201 HydrophobicContact CG-CD1 4.26Å; W163-Y201 AromaticContact CG-CD2 3.93Å; W163-Y201 HydrophobicContact CG-CD2 3.93Å; W163-Y201 AromaticContact CG-CE1 3.97Å; W163-Y201 HydrophobicContact CG-CE1 3.97Å; W163-Y201 AromaticContact CG-CE2 3.57Å; W163-Y201 HydrophobicContact CG-CE2 3.57Å; W163-Y201 HydrophobicContact CG-CG 4.26Å; W163-Y201 AromaticContact CG-CZ 3.59Å; W163-Y201 HydrophobicContact CH2-CD1 4.3Å; W163-Y201 HydrophobicContact CH2-CE1 4.46Å; W163-Y201 HydrophobicContact CZ2-CD1 4.43Å; W163-Y201 HydrophobicContact CZ2-CE1 4.15Å; W163-Y201 AromaticContact CZ3-CD1 3.84Å; W163-Y201 HydrophobicContact CZ3-CD1 3.84Å; W163-Y201 HydrophobicContact CZ3-CE1 4.36Å; W163-Y201 HydrophobicContact CZ3-CG 4.34Å; W163-Y201 AromaticContact NE1-CZ 3.93Å; W163-R204 HydrophobicContact CH2-CB 4.43Å; W163-R204 HydrophobicContact CH2-CG 4.14Å; W163-R204 HydrophobicContact CZ3-CB 3.94Å; W163-R204 HydrophobicContact CZ3-CG 4.05Å
164L91Very high88.2Confident1 Ų141.8 Ų41.81%0.00521%0.213CC..Hα-helixtrans-64.1-50.3173.5-171161.7000109.8E127 A135 H136 Y139 Q160 L161 F166 R167 D168E127-L164 HydrophobicContact CG-CD1 4.23Å; A135-L164 HydrophobicContact CB-CD1 3.82Å; H136-L164 HydrophobicContact CB-CD1 4.08Å; H136-L164 HydrophobicContact CB-CD2 3.84Å; Y139-L164 HydrophobicContact CD2-CD1 4.01Å; Y139-L164 HydrophobicContact CE2-CD1 3.81Å; Q160-L164 WeakPolarHBondContact O-CB 3.44Å; Q160-L164 PolarHBondContact O-N 2.86Å; L161-L164 PolarHBondContact O-N 3.37Å; L164-F166 VanDerWaalsContact C-N 3.3Å; L164-F166 PolarHBondContact O-N 2.76Å; L164-R167 PolarHBondContact O-N 3.11Å; L164-D168 HydrophobicContact CD2-CB 3.95Å; L164-D168 WeakPolarHBondContact O-CB 3.45Å; L164-D168 PolarHBondContact O-N 2.9Å
165I91.3Very high88.1Confident16 Ų1647.4 Ų47.48%0.08224%0.241CC..Hα-helixtrans-54.8-46.6174.9-70.5166.5000110.2L161 R167 C171 R177 A181 E184L161-I165 HydrophobicContact CD1-CD1 4.12Å; L161-I165 HydrophobicContact CD1-CG1 4.34Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 WeakPolarHBondContact O-CB 3.42Å; L161-I165 VanDerWaalsContact O-CG1 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.23Å; L161-I165 PolarHBondContact O-N 3.04Å; I165-R167 VanDerWaalsContact C-N 3.27Å; I165-R167 PolarHBondContact O-N 2.83Å; I165-C171 HydrophobicContact CG2-CB 4.36Å; I165-R177 HydrophobicContact CG2-CG 4.27Å; I165-R177 WeakPolarHBondContact CG2-O 3.21Å; I165-R177 WeakPolarHBondContact O-CD 3.34Å; I165-R177 WeakPolarHBondContact O-CG 2.86Å; I165-A181 HydrophobicContact CG2-CB 4.29Å; I165-E184 HydrophobicContact CD1-CG 4.22Å
166F90.4Very high88.1Confident30 Ų3051.5 Ų51.513%0.13227%0.265CS..Hα-helixtrans-56.2-40.1177.1179.1-105000113G162 W163 L164 R177 I178 A181 R204 S208G162-F166 WeakPolarHBondContact O-CB 3.3Å; G162-F166 PolarHBondContact O-N 3.35Å; W163-F166 HydrophobicContact CE3-CB 4.45Å; W163-F166 AromaticContact CE3-CD1 3.81Å; W163-F166 HydrophobicContact CE3-CD1 3.81Å; W163-F166 HydrophobicContact CE3-CG 4.43Å; W163-F166 HydrophobicContact CH2-CD1 4.11Å; W163-F166 HydrophobicContact CH2-CE1 4.17Å; W163-F166 AromaticContact CZ3-CD1 3.44Å; W163-F166 HydrophobicContact CZ3-CD1 3.44Å; W163-F166 VanDerWaalsContact CZ3-CD1 3.44Å; W163-F166 AromaticContact CZ3-CE1 3.74Å; W163-F166 HydrophobicContact CZ3-CE1 3.74Å; W163-F166 HydrophobicContact CZ3-CG 4.38Å; W163-F166 PolarHBondContact O-N 2.75Å; L164-F166 VanDerWaalsContact C-N 3.3Å; L164-F166 PolarHBondContact O-N 2.76Å; F166-R177 PolarHBondContact O-NH1 3.18Å; F166-I178 HydrophobicContact CD2-CG1 4.12Å; F166-I178 HydrophobicContact CD2-CG2 4.46Å; F166-I178 HydrophobicContact CE2-CG1 4.08Å; F166-I178 HydrophobicContact CE2-CG2 4.5Å; F166-A181 HydrophobicContact CB-CB 3.83Å; F166-R204 HydrophobicContact CE1-CB 4.42Å; F166-R204 HydrophobicContact CZ-CB 4.46Å; F166-S208 WeakPolarHBondContact CE2-OG 3.42Å
167R87Confident88.2Confident115 Ų11552.3 Ų52.343%0.43427%0.267SS..Hα-helixtrans-84.5-35.7-176.5-71.1173.864.2-1523.2114.6E127 W163 L164 I165 E169E127-R167 IonicContact OE1-NH1 2.68Å; E127-R167 PolarHBondContact OE1-NH1 3.43Å; W163-R167 HydrophobicContact CZ2-CG 4.4Å; W163-R167 WeakPolarHBondContact O-CG 3.15Å; W163-R167 PolarHBondContact O-N 2.87Å; W163-R167 VanDerWaalsContact O-N 3.11Å; L164-R167 PolarHBondContact O-N 3.11Å; I165-R167 VanDerWaalsContact C-N 3.27Å; I165-R167 PolarHBondContact O-N 2.83Å; R167-E169 PolarHBondContact O-N 3.05Å
168D86.2Confident88.2Confident16 Ų1652.7 Ų52.79%0.08627%0.268CS..  trans-82.3108.9-171.2-170.3-21.6000111.2L132 L164 S170 C171 R177L132-D168 WeakPolarHBondContact CB-OD2 3.46Å; L132-D168 HydrophobicContact CD1-CB 4.05Å; L164-D168 HydrophobicContact CD2-CB 3.95Å; L164-D168 WeakPolarHBondContact O-CB 3.45Å; L164-D168 PolarHBondContact O-N 2.9Å; D168-S170 VanDerWaalsContact CG-OG 3.26Å; D168-S170 PolarHBondContact O-N 2.9Å; D168-S170 VanDerWaalsContact OD1-CB 3.28Å; D168-S170 WeakPolarHBondContact OD1-CB 3.36Å; D168-S170 PolarHBondContact OD1-N 2.74Å; D168-S170 PolarHBondContact OD1-OG 3.35Å; D168-S170 PolarHBondContact OD2-OG 2.83Å; D168-C171 WeakPolarHBondContact O-CB 3.37Å; D168-C171 PolarHBondContact O-N 3.34Å; D168-C171 VanDerWaalsContact O-N 3.11Å; D168-R177 WeakPolarHBondContact O-CD 3.37Å
169E82.5Confident88.1Confident153 Ų15354.5 Ų54.572%0.71529%0.287SS*.G310 helixtrans-66.9-16.8-178.8-47.6-149.5112.600113.4R167 C171 R177R167-E169 PolarHBondContact O-N 3.05Å; E169-C171 VanDerWaalsContact C-N 3.25Å; E169-C171 PolarHBondContact O-N 3.04Å; E169-R177 IonicContact OE1-NH2 3.97Å; E169-R177 PolarHBondContact OE1-NH2 3.15Å
170S82.3Confident88.1Confident93 Ų9354.5 Ų54.565%0.6530%0.296SS*.G310 helixtrans-75.8-11.9174.575.20000113.7D168 G172D168-S170 VanDerWaalsContact CG-OG 3.26Å; D168-S170 PolarHBondContact O-N 2.9Å; D168-S170 VanDerWaalsContact OD1-CB 3.28Å; D168-S170 WeakPolarHBondContact OD1-CB 3.36Å; D168-S170 PolarHBondContact OD1-N 2.74Å; D168-S170 PolarHBondContact OD1-OG 3.35Å; D168-S170 PolarHBondContact OD2-OG 2.83Å; S170-G172 VanDerWaalsContact C-N 3.27Å; S170-G172 PolarHBondContact O-N 2.87Å
171C77.5Confident88.2Confident45 Ų4554.1 Ų54.130%0.30429%0.294SS..G310 helixtrans-77.2-5.7177.5-75.90000114.5I165 D168 E169I165-C171 HydrophobicContact CG2-CB 4.36Å; D168-C171 WeakPolarHBondContact O-CB 3.37Å; D168-C171 PolarHBondContact O-N 3.34Å; D168-C171 VanDerWaalsContact O-N 3.11Å; E169-C171 VanDerWaalsContact C-N 3.25Å; E169-C171 PolarHBondContact O-N 3.04Å
172G81.9Confident88.3Confident32 Ų3254.9 Ų54.933%0.3330%0.298SS..  trans137.1-174.9171.200000114.4S170 R177S170-G172 VanDerWaalsContact C-N 3.27Å; S170-G172 PolarHBondContact O-N 2.87Å; G172-R177 PolarHBondContact O-NE 2.88Å
173D86.2Confident88.4Confident90 Ų9058.4 Ų58.448%0.48132%0.317SS..SBendtrans-57.7158.6172.770.7-88.6000111.2E175 T176 R177D173-E175 VanDerWaalsContact C-N 3.27Å; D173-E175 PolarHBondContact O-N 2.87Å; D173-E175 PolarHBondContact OD2-N 2.85Å; D173-T176 VanDerWaalsContact CG-OG1 3.28Å; D173-T176 WeakPolarHBondContact OD1-CB 3.32Å; D173-T176 PolarHBondContact OD1-OG1 2.84Å; D173-T176 PolarHBondContact OD2-N 3.01Å; D173-T176 PolarHBondContact OD2-OG1 3.34Å; D173-R177 WeakPolarHBondContact O-CB 3.34Å; D173-R177 PolarHBondContact O-N 3.4Å
174K85Confident88.5Confident128 Ų12858 Ų5856%0.55732%0.316SS*.Hα-helixtrans-56.8-38.8-172.4-175.5-175.2171.4-162.60112.6I178 S208K174-I178 HydrophobicContact CD-CD1 4.38Å; K174-I178 HydrophobicContact CG-CD1 3.69Å; K174-I178 VanDerWaalsContact O-CD1 3.26Å; K174-I178 WeakPolarHBondContact O-CD1 3.29Å; K174-I178 WeakPolarHBondContact O-CG1 3.01Å; K174-I178 PolarHBondContact O-N 2.92Å; K174-I178 VanDerWaalsContact O-N 3.11Å; K174-S208 PolarHBondContact NZ-O 2.97Å; K174-S208 VanDerWaalsContact NZ-O 3.07Å
175E87Confident88.7Confident163 Ų16357.9 Ų57.976%0.76232%0.316SS*.Hα-helixtrans-77.8-50.6-173.5-61-172.617700111.2D173 R177 I178 A179D173-E175 VanDerWaalsContact C-N 3.27Å; D173-E175 PolarHBondContact O-N 2.87Å; D173-E175 PolarHBondContact OD2-N 2.85Å; E175-R177 VanDerWaalsContact C-N 3.25Å; E175-R177 PolarHBondContact O-N 3.08Å; E175-I178 PolarHBondContact O-N 3.12Å; E175-A179 WeakPolarHBondContact O-CB 3.34Å; E175-A179 PolarHBondContact O-N 3.29Å
176T89Confident88.8Confident88 Ų8861.5 Ų61.554%0.5433%0.332SS..Hα-helixtrans-55-42.9172-540000111.4D173 A179 G180D173-T176 VanDerWaalsContact CG-OG1 3.28Å; D173-T176 WeakPolarHBondContact OD1-CB 3.32Å; D173-T176 PolarHBondContact OD1-OG1 2.84Å; D173-T176 PolarHBondContact OD2-N 3.01Å; D173-T176 PolarHBondContact OD2-OG1 3.34Å; T176-A179 PolarHBondContact O-N 2.95Å; T176-G180 PolarHBondContact O-N 3.08Å
177R91.2Very high88.9Confident32 Ų3264.2 Ų64.212%0.12134%0.341CS..Hα-helixtrans-62.2-48.2-179.5177.9159.753.3120.2-22.5112.4I165 F166 D168 E169 G172 D173 E175 G180 A181I165-R177 HydrophobicContact CG2-CG 4.27Å; I165-R177 WeakPolarHBondContact CG2-O 3.21Å; I165-R177 WeakPolarHBondContact O-CD 3.34Å; I165-R177 WeakPolarHBondContact O-CG 2.86Å; F166-R177 PolarHBondContact O-NH1 3.18Å; D168-R177 WeakPolarHBondContact O-CD 3.37Å; E169-R177 IonicContact OE1-NH2 3.97Å; E169-R177 PolarHBondContact OE1-NH2 3.15Å; G172-R177 PolarHBondContact O-NE 2.88Å; D173-R177 WeakPolarHBondContact O-CB 3.34Å; D173-R177 PolarHBondContact O-N 3.4Å; E175-R177 VanDerWaalsContact C-N 3.25Å; E175-R177 PolarHBondContact O-N 3.08Å; R177-G180 PolarHBondContact O-N 3.16Å; R177-A181 WeakPolarHBondContact O-CB 3.35Å; R177-A181 PolarHBondContact O-N 3.21Å
178I91.4Very high89.2Confident7 Ų758.8 Ų58.84%0.03632%0.321CS..Hα-helixtrans-70.7-36.5178.3-56157.1000110.9F166 K174 E175 G180 A181 I182 C205 S208 I209F166-I178 HydrophobicContact CD2-CG1 4.12Å; F166-I178 HydrophobicContact CD2-CG2 4.46Å; F166-I178 HydrophobicContact CE2-CG1 4.08Å; F166-I178 HydrophobicContact CE2-CG2 4.5Å; K174-I178 HydrophobicContact CD-CD1 4.38Å; K174-I178 HydrophobicContact CG-CD1 3.69Å; K174-I178 VanDerWaalsContact O-CD1 3.26Å; K174-I178 WeakPolarHBondContact O-CD1 3.29Å; K174-I178 WeakPolarHBondContact O-CG1 3.01Å; K174-I178 PolarHBondContact O-N 2.92Å; K174-I178 VanDerWaalsContact O-N 3.11Å; E175-I178 PolarHBondContact O-N 3.12Å; I178-G180 PolarHBondContact O-N 3.04Å; I178-A181 PolarHBondContact O-N 2.82Å; I178-I182 HydrophobicContact CG2-CD1 3.91Å; I178-I182 HydrophobicContact CG2-CG1 4.3Å; I178-I182 WeakPolarHBondContact O-CG1 3.47Å; I178-I182 PolarHBondContact O-N 3.38Å; I178-C205 HydrophobicContact CG2-CB 3.79Å; I178-S208 VanDerWaalsContact CD1-OG 3.28Å; I178-S208 WeakPolarHBondContact CD1-OG 3.42Å; I178-I209 HydrophobicContact CB-CD1 4.45Å; I178-I209 HydrophobicContact CD1-CG1 4.16Å; I178-I209 HydrophobicContact CG2-CD1 3.61Å; I178-I209 HydrophobicContact CG2-CG1 3.91Å
179A91.4Very high89.4Confident60 Ų6059.4 Ų59.450%0.49632%0.324SS..Hα-helixtrans-61.8-42.6175.200000112.3E175 T176 I182 N183E175-A179 WeakPolarHBondContact O-CB 3.34Å; E175-A179 PolarHBondContact O-N 3.29Å; T176-A179 PolarHBondContact O-N 2.95Å; A179-I182 PolarHBondContact O-N 3.03Å; A179-N183 PolarHBondContact O-N 2.87Å; A179-N183 VanDerWaalsContact O-N 3.1Å
180G92.2Very high89.8Confident27 Ų2759.1 Ų59.128%0.27832%0.323SS..Hα-helixtrans-61.9-46.5172.600000112.4T176 R177 I178 I182 N183 E184T176-G180 PolarHBondContact O-N 3.08Å; R177-G180 PolarHBondContact O-N 3.16Å; I178-G180 PolarHBondContact O-N 3.04Å; G180-I182 PolarHBondContact O-N 2.99Å; G180-N183 PolarHBondContact O-N 2.94Å; G180-E184 PolarHBondContact O-N 3.36Å; G180-E184 VanDerWaalsContact O-N 3.12Å
181A93.6Very high90.1Very high0 Ų057.6 Ų57.60%031%0.307CS..Hα-helixtrans-57.7-45.9175.800000112.6G162 I165 F166 R177 I178 N183 E184 L185G162-A181 WeakPolarHBondContact O-CB 3.39Å; I165-A181 HydrophobicContact CG2-CB 4.29Å; F166-A181 HydrophobicContact CB-CB 3.83Å; R177-A181 WeakPolarHBondContact O-CB 3.35Å; R177-A181 PolarHBondContact O-N 3.21Å; I178-A181 PolarHBondContact O-N 2.82Å; A181-N183 VanDerWaalsContact C-N 3.33Å; A181-N183 PolarHBondContact O-N 2.95Å; A181-E184 PolarHBondContact O-N 2.85Å; A181-L185 WeakPolarHBondContact O-CB 3.32Å; A181-L185 WeakPolarHBondContact O-CD1 3.28Å; A181-L185 WeakPolarHBondContact O-CG 3.44Å; A181-L185 PolarHBondContact O-N 3.27Å
182I93.9Very high90.5Very high21 Ų2156.4 Ų56.411%0.10830%0.298CS..Hα-helixtrans-61.1-41.4177.3-71.3169000111.1I178 A179 G180 L185 Q186 L202 C205 F206 I209I178-I182 HydrophobicContact CG2-CD1 3.91Å; I178-I182 HydrophobicContact CG2-CG1 4.3Å; I178-I182 WeakPolarHBondContact O-CG1 3.47Å; I178-I182 PolarHBondContact O-N 3.38Å; A179-I182 PolarHBondContact O-N 3.03Å; G180-I182 PolarHBondContact O-N 2.99Å; I182-L185 PolarHBondContact O-N 3.08Å; I182-Q186 HydrophobicContact CG2-CG 4.28Å; I182-Q186 WeakPolarHBondContact O-CB 3.31Å; I182-Q186 VanDerWaalsContact O-CG 3.24Å; I182-Q186 WeakPolarHBondContact O-CG 3.4Å; I182-Q186 PolarHBondContact O-N 2.91Å; I182-L202 HydrophobicContact CB-CD2 4.3Å; I182-L202 HydrophobicContact CG1-CD2 4.15Å; I182-L202 HydrophobicContact CG2-CD2 4.06Å; I182-C205 HydrophobicContact CD1-CB 4.02Å; I182-C205 HydrophobicContact CG1-CB 3.63Å; I182-F206 HydrophobicContact CD1-CD1 4.22Å; I182-F206 HydrophobicContact CD1-CE1 4.01Å; I182-I209 HydrophobicContact CD1-CD1 3.68Å
183N94.5Very high90.7Very high74 Ų7458.9 Ų58.940%0.39631%0.308SS..Hα-helixtrans-62.7-48.5179.5-165.2-36.7000111.7A179 G180 A181 Q186 R187A179-N183 PolarHBondContact O-N 2.87Å; A179-N183 VanDerWaalsContact O-N 3.1Å; G180-N183 PolarHBondContact O-N 2.94Å; A181-N183 VanDerWaalsContact C-N 3.33Å; A181-N183 PolarHBondContact O-N 2.95Å; N183-Q186 PolarHBondContact O-N 3.48Å; N183-R187 WeakPolarHBondContact O-CG 3.25Å; N183-R187 PolarHBondContact O-N 3.11Å; N183-R187 VanDerWaalsContact OD1-CZ 3.27Å; N183-R187 PolarHBondContact OD1-NE 2.84Å; N183-R187 PolarHBondContact OD1-NH2 3.5Å
184E93.8Very high90.5Very high26 Ų2657.1 Ų57.112%0.12130%0.303CS..Hα-helixtrans-65.7-39.8176.8-59-55.3151.400112.1H158 L161 I165 G180 A181 Q186 R187 S188H158-E184 WeakPolarHBondContact CB-O 3.29Å; H158-E184 IonicContact CE1-OE2 2.77Å; H158-E184 PolarHBondContact CE1-OE2 3.38Å; H158-E184 IonicContact CG-OE2 2.76Å; H158-E184 IonicContact ND1-OE2 3.69Å; H158-E184 PolarHBondContact ND1-OE2 2.89Å; L161-E184 HydrophobicContact CD2-CG 4.46Å; I165-E184 HydrophobicContact CD1-CG 4.22Å; G180-E184 PolarHBondContact O-N 3.36Å; G180-E184 VanDerWaalsContact O-N 3.12Å; A181-E184 PolarHBondContact O-N 2.85Å; E184-Q186 VanDerWaalsContact C-N 3.33Å; E184-Q186 PolarHBondContact O-N 3.35Å; E184-R187 PolarHBondContact O-N 3.25Å; E184-R187 IonicContact OE1-CZ 3.52Å; E184-R187 VanDerWaalsContact OE1-CZ 3.24Å; E184-R187 IonicContact OE1-NH1 2.61Å; E184-R187 PolarHBondContact OE1-NH1 2.78Å; E184-R187 IonicContact OE1-NH2 2.68Å; E184-R187 PolarHBondContact OE1-NH2 3.33Å; E184-R187 IonicContact OE2-CZ 3.91Å; E184-R187 IonicContact OE2-NE 3.3Å; E184-R187 IonicContact OE2-NH1 2.58Å; E184-R187 PolarHBondContact OE2-NH1 3.22Å; E184-S188 PolarHBondContact O-N 3.35Å
185L94.2Very high90.4Very high0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-67.2-31.6176.2-67.5168000113R159 A181 I182 S188 L189 Y201 L202R159-L185 HydrophobicContact CG-CD2 4.43Å; A181-L185 WeakPolarHBondContact O-CB 3.32Å; A181-L185 WeakPolarHBondContact O-CD1 3.28Å; A181-L185 WeakPolarHBondContact O-CG 3.44Å; A181-L185 PolarHBondContact O-N 3.27Å; I182-L185 PolarHBondContact O-N 3.08Å; L185-S188 WeakPolarHBondContact O-CB 3.47Å; L185-S188 PolarHBondContact O-N 2.92Å; L185-L189 PolarHBondContact O-N 2.8Å; L185-L189 VanDerWaalsContact O-N 3.07Å; L185-Y201 HydrophobicContact CD2-CD2 3.95Å; L185-Y201 HydrophobicContact CD2-CG 4.38Å; L185-L202 HydrophobicContact CB-CD1 4.19Å; L185-L202 HydrophobicContact CB-CD2 3.74Å; L185-L202 HydrophobicContact CB-CG 3.7Å; L185-L202 HydrophobicContact CD1-CD2 4.17Å; L185-L202 HydrophobicContact CD1-CG 4.12Å
186Q93.8Very high90.3Very high91 Ų9143.6 Ų43.643%0.42524%0.242SC..Hα-helixtrans-67.8-40.4171.2-77.5174.1-13.400111.7I182 N183 E184 S188 L189 Q190I182-Q186 HydrophobicContact CG2-CG 4.28Å; I182-Q186 WeakPolarHBondContact O-CB 3.31Å; I182-Q186 VanDerWaalsContact O-CG 3.24Å; I182-Q186 WeakPolarHBondContact O-CG 3.4Å; I182-Q186 PolarHBondContact O-N 2.91Å; N183-Q186 PolarHBondContact O-N 3.48Å; E184-Q186 VanDerWaalsContact C-N 3.33Å; E184-Q186 PolarHBondContact O-N 3.35Å; Q186-S188 VanDerWaalsContact C-N 3.3Å; Q186-S188 PolarHBondContact O-N 3Å; Q186-L189 PolarHBondContact O-N 2.92Å; Q186-Q190 VanDerWaalsContact O-CG 3.3Å; Q186-Q190 WeakPolarHBondContact O-CG 3.32Å; Q186-Q190 PolarHBondContact O-N 3.18Å
187R93.1Very high90.2Very high88 Ų8845.1 Ų45.133%0.33224%0.238SC..Hα-helixtrans-62.8-37.7171.6-65.5175.8-156.6161.48.5112.1H158 N183 E184 Q190 L191H158-R187 HydrophobicContact CB-CB 4.49Å; N183-R187 WeakPolarHBondContact O-CG 3.25Å; N183-R187 PolarHBondContact O-N 3.11Å; N183-R187 VanDerWaalsContact OD1-CZ 3.27Å; N183-R187 PolarHBondContact OD1-NE 2.84Å; N183-R187 PolarHBondContact OD1-NH2 3.5Å; E184-R187 PolarHBondContact O-N 3.25Å; E184-R187 IonicContact OE1-CZ 3.52Å; E184-R187 VanDerWaalsContact OE1-CZ 3.24Å; E184-R187 IonicContact OE1-NH1 2.61Å; E184-R187 PolarHBondContact OE1-NH1 2.78Å; E184-R187 IonicContact OE1-NH2 2.68Å; E184-R187 PolarHBondContact OE1-NH2 3.33Å; E184-R187 IonicContact OE2-CZ 3.91Å; E184-R187 IonicContact OE2-NE 3.3Å; E184-R187 IonicContact OE2-NH1 2.58Å; E184-R187 PolarHBondContact OE2-NH1 3.22Å; R187-Q190 PolarHBondContact O-N 3Å; R187-L191 WeakPolarHBondContact O-CG 3.29Å; R187-L191 PolarHBondContact O-N 3.41Å
188S92.2Very high90.1Very high1 Ų143.6 Ų43.61%0.00723%0.232CC..Hα-helixtrans-57.4-49.6172.2-175.30000111.3A155 R159 E184 L185 Q186 Q190 L191 D192 S198A155-S188 WeakPolarHBondContact O-CB 3.13Å; A155-S188 PolarHBondContact O-OG 3.13Å; R159-S188 WeakPolarHBondContact CB-OG 3.36Å; E184-S188 PolarHBondContact O-N 3.35Å; L185-S188 WeakPolarHBondContact O-CB 3.47Å; L185-S188 PolarHBondContact O-N 2.92Å; Q186-S188 VanDerWaalsContact C-N 3.3Å; Q186-S188 PolarHBondContact O-N 3Å; S188-Q190 VanDerWaalsContact C-N 3.34Å; S188-Q190 PolarHBondContact O-N 2.97Å; S188-L191 PolarHBondContact O-N 3.32Å; S188-D192 PolarHBondContact O-N 3.45Å; S188-S198 PolarHBondContact OG-OG 3.44Å
189L91.2Very high90.1Very high29 Ų2944.5 Ų44.515%0.15224%0.236CC..Hα-helixtrans-70-23.1177.4-73.8-178000114.8L185 Q186 L191 D192 P193 L202L185-L189 PolarHBondContact O-N 2.8Å; L185-L189 VanDerWaalsContact O-N 3.07Å; Q186-L189 PolarHBondContact O-N 2.92Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-D192 CarbonylContact O-C 3.34Å; L189-P193 WeakPolarHBondContact O-CA 3.32Å; L189-P193 WeakPolarHBondContact O-CD 3.27Å; L189-P193 WeakPolarHBondContact O-CG 3.07Å; L189-L202 HydrophobicContact CD1-CD1 3.43Å; L189-L202 VanDerWaalsContact CD1-CD1 3.43Å; L189-L202 HydrophobicContact CG-CD1 4.33Å
190Q91.4Very high90.1Very high146 Ų14642.9 Ų42.968%0.68222%0.217SC*.Hα-helixtrans-70.2-32.3171.6-74165.93.700112Q186 R187 S188Q186-Q190 VanDerWaalsContact O-CG 3.3Å; Q186-Q190 WeakPolarHBondContact O-CG 3.32Å; Q186-Q190 PolarHBondContact O-N 3.18Å; R187-Q190 PolarHBondContact O-N 3Å; S188-Q190 VanDerWaalsContact C-N 3.34Å; S188-Q190 PolarHBondContact O-N 2.97Å
191L88.5Confident90.1Very high61 Ų6141.9 Ų41.932%0.31921%0.205SC..Hα-helixtrans-89.8-34.2178.8-65.9169.3000112.6R154 A155 R187 S188 L189R154-L191 HydrophobicContact CB-CD1 4.05Å; R154-L191 HydrophobicContact CG-CD1 3.77Å; A155-L191 HydrophobicContact CB-CB 3.67Å; A155-L191 HydrophobicContact CB-CD1 4.46Å; R187-L191 WeakPolarHBondContact O-CG 3.29Å; R187-L191 PolarHBondContact O-N 3.41Å; S188-L191 PolarHBondContact O-N 3.32Å; L189-L191 VanDerWaalsContact C-N 3.34Å
192D84.6Confident90.1Very high21 Ų2142.2 Ų42.211%0.11221%0.207CC..  trans-133.888.9172.9-179.916.2000111.8M152 A155 S188 L189 S194 S195M152-D192 HydrophobicContact CE-CB 4.24Å; M152-D192 HydrophobicContact SD-CB 3.64Å; M152-D192 VanDerWaalsContact SD-CG 3.52Å; M152-D192 VanDerWaalsContact SD-OD2 3.42Å; A155-D192 HydrophobicContact CB-CB 3.82Å; S188-D192 PolarHBondContact O-N 3.45Å; L189-D192 CarbonylContact O-C 3.34Å; D192-S194 PolarHBondContact O-N 3.22Å; D192-S194 VanDerWaalsContact O-N 3.08Å; D192-S194 WeakPolarHBondContact OD1-CA 3.48Å; D192-S194 VanDerWaalsContact OD1-CB 3.25Å; D192-S194 WeakPolarHBondContact OD1-CB 3.33Å; D192-S194 PolarHBondContact OD1-N 2.97Å; D192-S194 PolarHBondContact OD1-OG 3.38Å; D192-S195 PolarHBondContact O-N 3.45Å; D192-S195 PolarHBondContact OD1-N 3.46Å; D192-S195 WeakPolarHBondContact OD2-CB 3.26Å; D192-S195 PolarHBondContact OD2-N 2.91Å
193P86Confident90Very high83 Ų8341.2 Ų41.254%0.53920%0.202SC..THydrogen-bonded Turntrans-67.91.9171.9-1830.7000114.2L189 K225L189-P193 WeakPolarHBondContact O-CA 3.32Å; L189-P193 WeakPolarHBondContact O-CD 3.27Å; L189-P193 WeakPolarHBondContact O-CG 3.07Å; P193-K225 WeakPolarHBondContact O-CE 3.48Å; P193-K225 PolarHBondContact O-NZ 2.84Å
194S82.6Confident89.9Confident53 Ų5342 Ų4237%0.37120%0.2SC..THydrogen-bonded Turntrans-95-20.9175.579.40000113.6D192 G196D192-S194 PolarHBondContact O-N 3.22Å; D192-S194 VanDerWaalsContact O-N 3.08Å; D192-S194 WeakPolarHBondContact OD1-CA 3.48Å; D192-S194 VanDerWaalsContact OD1-CB 3.25Å; D192-S194 WeakPolarHBondContact OD1-CB 3.33Å; D192-S194 PolarHBondContact OD1-N 2.97Å; D192-S194 PolarHBondContact OD1-OG 3.38Å; S194-G196 PolarHBondContact O-N 3.42Å
195S83.6Confident89.9Confident7 Ų740.8 Ų40.85%0.04919%0.194CC..  trans-64.4102-175.5-169.90000113.7D192 R197 S198 H199 E227D192-S195 PolarHBondContact O-N 3.45Å; D192-S195 PolarHBondContact OD1-N 3.46Å; D192-S195 WeakPolarHBondContact OD2-CB 3.26Å; D192-S195 PolarHBondContact OD2-N 2.91Å; S195-R197 VanDerWaalsContact C-N 3.34Å; S195-S198 PolarHBondContact O-N 3.1Å; S195-S198 PolarHBondContact OG-N 3.47Å; S195-S198 PolarHBondContact OG-OG 3.33Å; S195-H199 PolarHBondContact O-CD2 3.12Å; S195-H199 PolarHBondContact O-N 2.9Å; S195-E227 WeakPolarHBondContact CA-OE1 3.45Å
196G84.3Confident89.8Confident0 Ų042 Ų420%020%0.199CC..Hα-helixtrans-65.3-36.1171.400000112.2S194 S198 H199 Y200 S222 E227S194-G196 PolarHBondContact O-N 3.42Å; G196-S198 VanDerWaalsContact C-N 3.32Å; G196-S198 PolarHBondContact O-N 3.12Å; G196-H199 CarbonylContact O-C 3.59Å; G196-H199 WeakPolarHBondContact O-CA 3.4Å; G196-H199 WeakPolarHBondContact O-CB 3.39Å; G196-H199 PolarHBondContact O-N 2.96Å; G196-Y200 PolarHBondContact O-N 3.4Å; G196-S222 WeakPolarHBondContact O-CB 3.42Å; G196-S222 PolarHBondContact O-OG 3.16Å; G196-E227 VanDerWaalsContact N-CD 3.27Å; G196-E227 PolarHBondContact N-OE1 2.87Å
197R86.3Confident89.8Confident121 Ų12138.7 Ų38.746%0.45719%0.186SC..Hα-helixtrans-63.8-32.2175.3-169.6169-170.9145.81.2113.5S195 Y200 Y201 E227S195-R197 VanDerWaalsContact C-N 3.34Å; R197-Y200 PolarHBondContact O-N 3.35Å; R197-Y201 HydrophobicContact CG-CE1 4.14Å; R197-Y201 HydrophobicContact CG-CE2 4.1Å; R197-Y201 PolarHBondContact NE-OH 3.04Å; R197-Y201 PolarHBondContact NH2-OH 3.17Å; R197-Y201 VanDerWaalsContact O-CG 3.32Å; R197-Y201 PolarHBondContact O-N 2.93Å; R197-E227 WeakPolarHBondContact CB-OE2 3.29Å; R197-E227 PolarHBondContact N-OE2 3.14Å
198S90.3Very high89.6Confident0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-65-42.2169.3-66.10000111.8R159 S188 S195 G196 Y201 L202R159-S198 WeakPolarHBondContact CD-OG 3.36Å; R159-S198 WeakPolarHBondContact CG-OG 3.44Å; S188-S198 PolarHBondContact OG-OG 3.44Å; S195-S198 PolarHBondContact O-N 3.1Å; S195-S198 PolarHBondContact OG-N 3.47Å; S195-S198 PolarHBondContact OG-OG 3.33Å; G196-S198 VanDerWaalsContact C-N 3.32Å; G196-S198 PolarHBondContact O-N 3.12Å; S198-Y201 PolarHBondContact O-N 3.36Å; S198-L202 PolarHBondContact O-N 2.87Å
199H91.2Very high89.5Confident26 Ų2639.8 Ų39.812%0.1220%0.2CC..Hα-helixtrans-64-39.5172.8-76.2-72.9000112.6S195 G196 L202 G203 S218 H221S195-H199 PolarHBondContact O-CD2 3.12Å; S195-H199 PolarHBondContact O-N 2.9Å; G196-H199 CarbonylContact O-C 3.59Å; G196-H199 WeakPolarHBondContact O-CA 3.4Å; G196-H199 WeakPolarHBondContact O-CB 3.39Å; G196-H199 PolarHBondContact O-N 2.96Å; H199-L202 PolarHBondContact O-N 2.61Å; H199-G203 PolarHBondContact O-N 3.15Å; H199-S218 WeakPolarHBondContact CB-O 3.46Å; H199-S218 WeakPolarHBondContact O-CB 3.48Å; H199-H221 HydrophobicContact CB-CB 4.08Å; H199-H221 AromaticContact CE1-CD2 3.85Å
200Y91.3Very high89.3Confident25 Ų2544.1 Ų44.110%0.09822%0.224CC..Hα-helixtrans-60.9-47.2174.2171.2-113.4000112.1G196 R197 L202 G203 R204 Y219 D231 T232 S235G196-Y200 PolarHBondContact O-N 3.4Å; R197-Y200 PolarHBondContact O-N 3.35Å; Y200-L202 VanDerWaalsContact C-N 3.33Å; Y200-L202 PolarHBondContact O-N 2.88Å; Y200-G203 PolarHBondContact O-N 3.44Å; Y200-G203 VanDerWaalsContact O-N 3.12Å; Y200-R204 HydrophobicContact CE1-CG 4.28Å; Y200-R204 HydrophobicContact CE2-CG 4.08Å; Y200-R204 PolarHBondContact O-N 2.94Å; Y200-Y219 AromaticContact CD2-CD1 3.84Å; Y200-Y219 HydrophobicContact CD2-CD1 3.84Å; Y200-Y219 AromaticContact CD2-CE1 3.79Å; Y200-Y219 HydrophobicContact CD2-CE1 3.79Å; Y200-Y219 HydrophobicContact CE2-CD1 4.39Å; Y200-Y219 AromaticContact CE2-CE1 3.98Å; Y200-Y219 HydrophobicContact CE2-CE1 3.98Å; Y200-D231 WeakPolarHBondContact OH-CB 3.45Å; Y200-T232 HydrophobicContact CD2-CG2 4.27Å; Y200-S235 PolarHBondContact OH-OG 3.4Å
201Y92.6Very high89.3Confident6 Ų643.1 Ų43.12%0.02421%0.213CC..Hα-helixtrans-63.4-37.1177-65.9-16000112.1R159 W163 L185 R197 S198 R204 C205R159-Y201 HydrophobicContact CG-CD2 4.03Å; R159-Y201 HydrophobicContact CG-CE2 4.14Å; W163-Y201 HydrophobicContact CB-CD2 3.66Å; W163-Y201 HydrophobicContact CB-CE2 3.52Å; W163-Y201 HydrophobicContact CB-CG 4.3Å; W163-Y201 AromaticContact CD1-CZ 3.73Å; W163-Y201 AromaticContact CD2-CD1 3.68Å; W163-Y201 HydrophobicContact CD2-CD1 3.68Å; W163-Y201 HydrophobicContact CD2-CD2 4.15Å; W163-Y201 AromaticContact CD2-CE1 3.62Å; W163-Y201 HydrophobicContact CD2-CE1 3.62Å; W163-Y201 HydrophobicContact CD2-CE2 4.04Å; W163-Y201 AromaticContact CD2-CG 3.96Å; W163-Y201 HydrophobicContact CD2-CG 3.96Å; W163-Y201 AromaticContact CD2-CZ 3.78Å; W163-Y201 AromaticContact CE2-CE1 3.72Å; W163-Y201 AromaticContact CE3-CD1 3.51Å; W163-Y201 HydrophobicContact CE3-CD1 3.51Å; W163-Y201 HydrophobicContact CE3-CD2 4.24Å; W163-Y201 AromaticContact CE3-CE1 3.95Å; W163-Y201 HydrophobicContact CE3-CE1 3.95Å; W163-Y201 AromaticContact CE3-CG 3.68Å; W163-Y201 HydrophobicContact CE3-CG 3.68Å; W163-Y201 HydrophobicContact CG-CD1 4.26Å; W163-Y201 AromaticContact CG-CD2 3.93Å; W163-Y201 HydrophobicContact CG-CD2 3.93Å; W163-Y201 AromaticContact CG-CE1 3.97Å; W163-Y201 HydrophobicContact CG-CE1 3.97Å; W163-Y201 AromaticContact CG-CE2 3.57Å; W163-Y201 HydrophobicContact CG-CE2 3.57Å; W163-Y201 HydrophobicContact CG-CG 4.26Å; W163-Y201 AromaticContact CG-CZ 3.59Å; W163-Y201 HydrophobicContact CH2-CD1 4.3Å; W163-Y201 HydrophobicContact CH2-CE1 4.46Å; W163-Y201 HydrophobicContact CZ2-CD1 4.43Å; W163-Y201 HydrophobicContact CZ2-CE1 4.15Å; W163-Y201 AromaticContact CZ3-CD1 3.84Å; W163-Y201 HydrophobicContact CZ3-CD1 3.84Å; W163-Y201 HydrophobicContact CZ3-CE1 4.36Å; W163-Y201 HydrophobicContact CZ3-CG 4.34Å; W163-Y201 AromaticContact NE1-CZ 3.93Å; L185-Y201 HydrophobicContact CD2-CD2 3.95Å; L185-Y201 HydrophobicContact CD2-CG 4.38Å; R197-Y201 HydrophobicContact CG-CE1 4.14Å; R197-Y201 HydrophobicContact CG-CE2 4.1Å; R197-Y201 PolarHBondContact NE-OH 3.04Å; R197-Y201 PolarHBondContact NH2-OH 3.17Å; R197-Y201 VanDerWaalsContact O-CG 3.32Å; R197-Y201 PolarHBondContact O-N 2.93Å; S198-Y201 PolarHBondContact O-N 3.36Å; Y201-R204 WeakPolarHBondContact O-CB 3.47Å; Y201-R204 PolarHBondContact O-N 3.16Å; Y201-C205 PolarHBondContact O-N 2.85Å; Y201-C205 PolarHBondContact O-SG 3.23Å
202L93.1Very high89.3Confident8 Ų841 Ų414%0.04221%0.205CC..Hα-helixtrans-64.2-39.4170.8-80.1165.3000112.6I182 L185 L189 S198 H199 Y200 R204 C205 F206I182-L202 HydrophobicContact CB-CD2 4.3Å; I182-L202 HydrophobicContact CG1-CD2 4.15Å; I182-L202 HydrophobicContact CG2-CD2 4.06Å; L185-L202 HydrophobicContact CB-CD1 4.19Å; L185-L202 HydrophobicContact CB-CD2 3.74Å; L185-L202 HydrophobicContact CB-CG 3.7Å; L185-L202 HydrophobicContact CD1-CD2 4.17Å; L185-L202 HydrophobicContact CD1-CG 4.12Å; L189-L202 HydrophobicContact CD1-CD1 3.43Å; L189-L202 VanDerWaalsContact CD1-CD1 3.43Å; L189-L202 HydrophobicContact CG-CD1 4.33Å; S198-L202 PolarHBondContact O-N 2.87Å; H199-L202 PolarHBondContact O-N 2.61Å; Y200-L202 VanDerWaalsContact C-N 3.33Å; Y200-L202 PolarHBondContact O-N 2.88Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.26Å; L202-C205 WeakPolarHBondContact O-CB 3.48Å; L202-C205 PolarHBondContact O-N 3.27Å; L202-C205 VanDerWaalsContact O-N 3.14Å; L202-F206 HydrophobicContact CB-CD2 4.39Å; L202-F206 HydrophobicContact CB-CE2 4.07Å; L202-F206 HydrophobicContact CD2-CE2 4.28Å; L202-F206 HydrophobicContact CD2-CZ 4.37Å; L202-F206 WeakPolarHBondContact O-CD2 3.47Å; L202-F206 WeakPolarHBondContact O-CG 3.36Å; L202-F206 PolarHBondContact O-N 3.2Å
203G92Very high89.4Confident0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-59.1-42.8173.900000112.5H199 Y200 F206 S207 Y219H199-G203 PolarHBondContact O-N 3.15Å; Y200-G203 PolarHBondContact O-N 3.44Å; Y200-G203 VanDerWaalsContact O-N 3.12Å; G203-F206 PolarHBondContact O-N 2.76Å; G203-S207 VanDerWaalsContact O-CB 3.27Å; G203-S207 WeakPolarHBondContact O-CB 3.48Å; G203-S207 PolarHBondContact O-N 3.11Å; G203-Y219 VanDerWaalsContact C-CE1 3.42Å; G203-Y219 VanDerWaalsContact C-CZ 3.47Å; G203-Y219 PolarHBondContact O-OH 2.86Å
204R91.9Very high89.6Confident91 Ų9144.8 Ų44.834%0.34322%0.216SC..Hα-helixtrans-59.9-44172.1-68.5-63.9-54.6-158.93.1111.8W163 F166 Y200 Y201 L202 S208 Y219 S235W163-R204 HydrophobicContact CH2-CB 4.43Å; W163-R204 HydrophobicContact CH2-CG 4.14Å; W163-R204 HydrophobicContact CZ3-CB 3.94Å; W163-R204 HydrophobicContact CZ3-CG 4.05Å; F166-R204 HydrophobicContact CE1-CB 4.42Å; F166-R204 HydrophobicContact CZ-CB 4.46Å; Y200-R204 HydrophobicContact CE1-CG 4.28Å; Y200-R204 HydrophobicContact CE2-CG 4.08Å; Y200-R204 PolarHBondContact O-N 2.94Å; Y201-R204 WeakPolarHBondContact O-CB 3.47Å; Y201-R204 PolarHBondContact O-N 3.16Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.26Å; R204-S208 PolarHBondContact O-N 3.1Å; R204-S208 VanDerWaalsContact O-N 3.12Å; R204-Y219 HydrophobicContact CG-CE1 4.38Å; R204-Y219 PolarHBondContact N-OH 3.3Å; R204-S235 PolarHBondContact NH1-OG 3.27Å
205C93.1Very high90.1Very high0 Ų042.3 Ų42.30%020%0.198CC..Hα-helixtrans-62.6-51.4176.4-64.80000112I178 I182 Y201 L202 S207 S208 I209I178-C205 HydrophobicContact CG2-CB 3.79Å; I182-C205 HydrophobicContact CD1-CB 4.02Å; I182-C205 HydrophobicContact CG1-CB 3.63Å; Y201-C205 PolarHBondContact O-N 2.85Å; Y201-C205 PolarHBondContact O-SG 3.23Å; L202-C205 WeakPolarHBondContact O-CB 3.48Å; L202-C205 PolarHBondContact O-N 3.27Å; L202-C205 VanDerWaalsContact O-N 3.14Å; C205-S207 PolarHBondContact O-N 3.21Å; C205-S208 PolarHBondContact O-N 3.17Å; C205-S208 VanDerWaalsContact O-N 3.13Å; C205-S208 PolarHBondContact O-OG 3.36Å; C205-I209 PolarHBondContact O-N 3.1Å
206F93.8Very high90.4Very high25 Ų2545.3 Ų45.311%0.1121%0.21CC..Hα-helixtrans-63-40179.8-66.7-51000112.7I182 L202 G203 S208 I209 N210 R211 D214 A215 S218I182-F206 HydrophobicContact CD1-CD1 4.22Å; I182-F206 HydrophobicContact CD1-CE1 4.01Å; L202-F206 HydrophobicContact CB-CD2 4.39Å; L202-F206 HydrophobicContact CB-CE2 4.07Å; L202-F206 HydrophobicContact CD2-CE2 4.28Å; L202-F206 HydrophobicContact CD2-CZ 4.37Å; L202-F206 WeakPolarHBondContact O-CD2 3.47Å; L202-F206 WeakPolarHBondContact O-CG 3.36Å; L202-F206 PolarHBondContact O-N 3.2Å; G203-F206 PolarHBondContact O-N 2.76Å; F206-S208 VanDerWaalsContact C-N 3.3Å; F206-S208 PolarHBondContact O-N 2.86Å; F206-I209 CarbonylContact O-C 3.21Å; F206-I209 PolarHBondContact O-N 3.46Å; F206-I209 VanDerWaalsContact O-N 3.16Å; F206-N210 PolarHBondContact O-N 3.05Å; F206-R211 HydrophobicContact CB-CB 4.12Å; F206-R211 HydrophobicContact CD1-CB 4.5Å; F206-R211 PolarHBondContact O-N 2.83Å; F206-D214 HydrophobicContact CB-CB 4.12Å; F206-D214 HydrophobicContact CD1-CB 4.12Å; F206-D214 HydrophobicContact CD2-CB 3.81Å; F206-D214 HydrophobicContact CE2-CB 4.23Å; F206-D214 HydrophobicContact CG-CB 3.76Å; F206-A215 HydrophobicContact CB-CB 3.91Å; F206-S218 WeakPolarHBondContact CD2-OG 3.25Å
207S91.8Very high90.6Very high21 Ų2148.3 Ų48.315%0.14723%0.226CC..Hα-helixtrans-58.6-40.5173.3172.90000111.7G203 C205 I209 N210G203-S207 VanDerWaalsContact O-CB 3.27Å; G203-S207 WeakPolarHBondContact O-CB 3.48Å; G203-S207 PolarHBondContact O-N 3.11Å; C205-S207 PolarHBondContact O-N 3.21Å; S207-I209 PolarHBondContact O-N 2.91Å; S207-N210 WeakPolarHBondContact O-CA 3.17Å; S207-N210 PolarHBondContact O-N 3.18Å
208S89.1Confident90.8Very high32 Ų3243 Ų4322%0.22421%0.207CC..Hα-helixtrans-69.7-15.2178.776.30000115.6F166 K174 I178 R204 C205 F206F166-S208 WeakPolarHBondContact CE2-OG 3.42Å; K174-S208 PolarHBondContact NZ-O 2.97Å; K174-S208 VanDerWaalsContact NZ-O 3.07Å; I178-S208 VanDerWaalsContact CD1-OG 3.28Å; I178-S208 WeakPolarHBondContact CD1-OG 3.42Å; R204-S208 PolarHBondContact O-N 3.1Å; R204-S208 VanDerWaalsContact O-N 3.12Å; C205-S208 PolarHBondContact O-N 3.17Å; C205-S208 VanDerWaalsContact O-N 3.13Å; C205-S208 PolarHBondContact O-OG 3.36Å; F206-S208 VanDerWaalsContact C-N 3.3Å; F206-S208 PolarHBondContact O-N 2.86Å
209I90.6Very high90.8Very high81 Ų8143 Ų4342%0.41521%0.207SC..THydrogen-bonded Turntrans-101.19.6171.2-46.9158000110.6I178 I182 C205 F206 S207 R211I178-I209 HydrophobicContact CB-CD1 4.45Å; I178-I209 HydrophobicContact CD1-CG1 4.16Å; I178-I209 HydrophobicContact CG2-CD1 3.61Å; I178-I209 HydrophobicContact CG2-CG1 3.91Å; I182-I209 HydrophobicContact CD1-CD1 3.68Å; C205-I209 PolarHBondContact O-N 3.1Å; F206-I209 CarbonylContact O-C 3.21Å; F206-I209 PolarHBondContact O-N 3.46Å; F206-I209 VanDerWaalsContact O-N 3.16Å; S207-I209 PolarHBondContact O-N 2.91Å; I209-R211 PolarHBondContact O-N 2.98Å; I209-R211 VanDerWaalsContact O-N 3.16Å
210N87.2Confident90.7Very high120 Ų12048.5 Ų48.564%0.64223%0.227SC*.THydrogen-bonded Turntrans59.220.2-176.1-157.923.3000114.6F206 S207 A212F206-N210 PolarHBondContact O-N 3.05Å; S207-N210 WeakPolarHBondContact O-CA 3.17Å; S207-N210 PolarHBondContact O-N 3.18Å; N210-A212 PolarHBondContact O-N 3.33Å
211R90.6Very high90.4Very high125 Ų12550.8 Ų50.847%0.47224%0.238SC..  trans-82.368.2174-77.5-171.564.7163.1-0.8110.5F206 I209 H213 D214 A215F206-R211 HydrophobicContact CB-CB 4.12Å; F206-R211 HydrophobicContact CD1-CB 4.5Å; F206-R211 PolarHBondContact O-N 2.83Å; I209-R211 PolarHBondContact O-N 2.98Å; I209-R211 VanDerWaalsContact O-N 3.16Å; R211-H213 VanDerWaalsContact C-N 3.32Å; R211-H213 PolarHBondContact O-N 3.44Å; R211-D214 HydrophobicContact CB-CB 4.39Å; R211-D214 IonicContact CZ-OD1 3.72Å; R211-D214 IonicContact CZ-OD2 2.72Å; R211-D214 VanDerWaalsContact CZ-OD2 3.29Å; R211-D214 IonicContact NE-OD1 3.56Å; R211-D214 IonicContact NE-OD2 3.18Å; R211-D214 PolarHBondContact NE-OD2 2.85Å; R211-D214 IonicContact NH2-OD1 3.43Å; R211-D214 PolarHBondContact NH2-OD1 3.03Å; R211-D214 IonicContact NH2-OD2 3.45Å; R211-D214 PolarHBondContact NH2-OD2 3.01Å; R211-D214 PolarHBondContact O-N 2.96Å; R211-A215 WeakPolarHBondContact O-CB 3.3Å; R211-A215 PolarHBondContact O-N 2.84Å
212A88.3Confident90.1Very high16 Ų1650.5 Ų50.513%0.13224%0.237CC..Hα-helixtrans-60.3-36.1-168.900000114.3N210 A215 F216 L239 Q243N210-A212 PolarHBondContact O-N 3.33Å; A212-A215 PolarHBondContact O-N 2.86Å; A212-F216 WeakPolarHBondContact O-CB 3.44Å; A212-F216 PolarHBondContact O-N 3.03Å; A212-L239 HydrophobicContact CB-CD1 3.94Å; A212-Q243 HydrophobicContact CB-CG 4.3Å
213H88Confident89.6Confident137 Ų13751 Ų5163%0.63424%0.24SC*.Hα-helixtrans-66.4-47.1178.7-17070000112.3R211 A215 F216 I217R211-H213 VanDerWaalsContact C-N 3.32Å; R211-H213 PolarHBondContact O-N 3.44Å; H213-A215 VanDerWaalsContact C-N 3.32Å; H213-A215 PolarHBondContact O-N 2.84Å; H213-F216 PolarHBondContact O-N 3.44Å; H213-I217 WeakPolarHBondContact O-CG1 3.31Å; H213-I217 PolarHBondContact O-N 3.1Å
214D90.8Very high88.9Confident47 Ų4753.9 Ų53.925%0.25126%0.255SS..Hα-helixtrans-66.5-35.1176.5-50.6-91.6000111.9F206 R211 S218F206-D214 HydrophobicContact CB-CB 4.12Å; F206-D214 HydrophobicContact CD1-CB 4.12Å; F206-D214 HydrophobicContact CD2-CB 3.81Å; F206-D214 HydrophobicContact CE2-CB 4.23Å; F206-D214 HydrophobicContact CG-CB 3.76Å; R211-D214 HydrophobicContact CB-CB 4.39Å; R211-D214 IonicContact CZ-OD1 3.72Å; R211-D214 IonicContact CZ-OD2 2.72Å; R211-D214 VanDerWaalsContact CZ-OD2 3.29Å; R211-D214 IonicContact NE-OD1 3.56Å; R211-D214 IonicContact NE-OD2 3.18Å; R211-D214 PolarHBondContact NE-OD2 2.85Å; R211-D214 IonicContact NH2-OD1 3.43Å; R211-D214 PolarHBondContact NH2-OD1 3.03Å; R211-D214 IonicContact NH2-OD2 3.45Å; R211-D214 PolarHBondContact NH2-OD2 3.01Å; R211-D214 PolarHBondContact O-N 2.96Å; D214-S218 VanDerWaalsContact O-CB 3.31Å; D214-S218 WeakPolarHBondContact O-CB 3.41Å; D214-S218 PolarHBondContact O-N 2.77Å; D214-S218 PolarHBondContact O-OG 3.27Å
215A92.1Very high88.1Confident0 Ų053.7 Ų53.70%026%0.257CS..Hα-helixtrans-61.8-48173.300000111.3F206 R211 A212 H213 S218 Y219 L239F206-A215 HydrophobicContact CB-CB 3.91Å; R211-A215 WeakPolarHBondContact O-CB 3.3Å; R211-A215 PolarHBondContact O-N 2.84Å; A212-A215 PolarHBondContact O-N 2.86Å; H213-A215 VanDerWaalsContact C-N 3.32Å; H213-A215 PolarHBondContact O-N 2.84Å; A215-S218 PolarHBondContact O-N 2.82Å; A215-Y219 HydrophobicContact CB-CE2 4.37Å; A215-Y219 VanDerWaalsContact O-CD2 3.32Å; A215-Y219 WeakPolarHBondContact O-CD2 3.31Å; A215-Y219 PolarHBondContact O-N 3.33Å; A215-L239 HydrophobicContact CB-CD1 4.23Å; A215-L239 HydrophobicContact CB-CD2 3.97Å
216F89.1Confident86.7Confident70 Ų7054.8 Ų54.831%0.30726%0.263SS..Hα-helixtrans-62.7-45177179.8-101.9000112.5A212 H213 S218 Y219 R220 L239 Y240A212-F216 WeakPolarHBondContact O-CB 3.44Å; A212-F216 PolarHBondContact O-N 3.03Å; H213-F216 PolarHBondContact O-N 3.44Å; F216-S218 VanDerWaalsContact C-N 3.27Å; F216-S218 PolarHBondContact O-N 3.24Å; F216-Y219 PolarHBondContact O-N 3.17Å; F216-R220 WeakPolarHBondContact O-CB 3.4Å; F216-R220 PolarHBondContact O-N 3.38Å; F216-L239 HydrophobicContact CB-CD2 3.95Å; F216-Y240 AromaticContact CE2-CZ 3.94Å; F216-Y240 VanDerWaalsContact CE2-OH 3.28Å; F216-Y240 WeakPolarHBondContact CE2-OH 3.48Å
217I89.9Confident85Confident64 Ų6457.2 Ų57.233%0.32827%0.274SS..Hα-helixtrans-57.6-42.9174.3-72169000110.7H213 R220 H221H213-I217 WeakPolarHBondContact O-CG1 3.31Å; H213-I217 PolarHBondContact O-N 3.1Å; I217-R220 PolarHBondContact O-N 2.75Å; I217-H221 PolarHBondContact O-CD2 2.84Å; I217-H221 PolarHBondContact O-N 3.33Å
218S90.7Very high83.6Confident9 Ų957.4 Ų57.46%0.06328%0.277CS..Hα-helixtrans-68.7-45.6-179.7-56.60000112.1H199 F206 D214 A215 F216 R220 H221 S222H199-S218 WeakPolarHBondContact CB-O 3.46Å; H199-S218 WeakPolarHBondContact O-CB 3.48Å; F206-S218 WeakPolarHBondContact CD2-OG 3.25Å; D214-S218 VanDerWaalsContact O-CB 3.31Å; D214-S218 WeakPolarHBondContact O-CB 3.41Å; D214-S218 PolarHBondContact O-N 2.77Å; D214-S218 PolarHBondContact O-OG 3.27Å; A215-S218 PolarHBondContact O-N 2.82Å; F216-S218 VanDerWaalsContact C-N 3.27Å; F216-S218 PolarHBondContact O-N 3.24Å; S218-R220 VanDerWaalsContact C-N 3.34Å; S218-R220 PolarHBondContact O-N 3.37Å; S218-H221 PolarHBondContact O-N 3.22Å; S218-S222 PolarHBondContact O-N 3.09Å
219Y90.4Very high82.9Confident1 Ų157.7 Ų57.70%0.00428%0.28CS..Hα-helixtrans-63.1-39.9173.8-62.1-39.3000112.3Y200 G203 R204 A215 F216 H221 S222 I223 I236 L239Y200-Y219 AromaticContact CD2-CD1 3.84Å; Y200-Y219 HydrophobicContact CD2-CD1 3.84Å; Y200-Y219 AromaticContact CD2-CE1 3.79Å; Y200-Y219 HydrophobicContact CD2-CE1 3.79Å; Y200-Y219 HydrophobicContact CE2-CD1 4.39Å; Y200-Y219 AromaticContact CE2-CE1 3.98Å; Y200-Y219 HydrophobicContact CE2-CE1 3.98Å; G203-Y219 VanDerWaalsContact C-CE1 3.42Å; G203-Y219 VanDerWaalsContact C-CZ 3.47Å; G203-Y219 PolarHBondContact O-OH 2.86Å; R204-Y219 HydrophobicContact CG-CE1 4.38Å; R204-Y219 PolarHBondContact N-OH 3.3Å; A215-Y219 HydrophobicContact CB-CE2 4.37Å; A215-Y219 VanDerWaalsContact O-CD2 3.32Å; A215-Y219 WeakPolarHBondContact O-CD2 3.31Å; A215-Y219 PolarHBondContact O-N 3.33Å; F216-Y219 PolarHBondContact O-N 3.17Å; Y219-H221 VanDerWaalsContact C-N 3.34Å; Y219-H221 PolarHBondContact O-N 2.95Å; Y219-S222 VanDerWaalsContact O-CB 3.31Å; Y219-S222 WeakPolarHBondContact O-CB 3.26Å; Y219-S222 PolarHBondContact O-N 2.92Å; Y219-S222 VanDerWaalsContact O-N 3.14Å; Y219-I223 PolarHBondContact O-N 3.23Å; Y219-I223 VanDerWaalsContact O-N 3.09Å; Y219-I236 HydrophobicContact CD2-CG1 3.74Å; Y219-I236 HydrophobicContact CG-CG1 3.94Å; Y219-L239 HydrophobicContact CD2-CD2 4.05Å; Y219-L239 HydrophobicContact CE2-CB 4.44Å; Y219-L239 HydrophobicContact CE2-CD2 4.01Å
220R87.3Confident82.5Confident140 Ų14054.2 Ų54.253%0.52826%0.263SS..Hα-helixtrans-60-42.4173.3175.5176.7171.6168.40.9111.6F216 I217 S218 I223 D224F216-R220 WeakPolarHBondContact O-CB 3.4Å; F216-R220 PolarHBondContact O-N 3.38Å; I217-R220 PolarHBondContact O-N 2.75Å; S218-R220 VanDerWaalsContact C-N 3.34Å; S218-R220 PolarHBondContact O-N 3.37Å; R220-I223 PolarHBondContact O-N 2.93Å; R220-I223 VanDerWaalsContact O-N 3.15Å; R220-D224 WeakPolarHBondContact CG-OD2 3.35Å; R220-D224 IonicContact NE-OD2 3.4Å; R220-D224 PolarHBondContact NE-OD2 3.38Å; R220-D224 WeakPolarHBondContact O-CB 3.25Å; R220-D224 PolarHBondContact O-N 3.31Å
221H86.4Confident82.4Confident73 Ų7352 Ų5234%0.33825%0.251SS..Hα-helixtrans-63.8-37.9173.6-73.4-36.7000112.4H199 I217 S218 Y219 I223 D224 K225H199-H221 HydrophobicContact CB-CB 4.08Å; H199-H221 AromaticContact CE1-CD2 3.85Å; I217-H221 PolarHBondContact O-CD2 2.84Å; I217-H221 PolarHBondContact O-N 3.33Å; S218-H221 PolarHBondContact O-N 3.22Å; Y219-H221 VanDerWaalsContact C-N 3.34Å; Y219-H221 PolarHBondContact O-N 2.95Å; H221-I223 PolarHBondContact O-N 3.46Å; H221-D224 PolarHBondContact O-N 2.79Å; H221-K225 VanDerWaalsContact O-CB 3.29Å; H221-K225 WeakPolarHBondContact O-CB 3.48Å; H221-K225 WeakPolarHBondContact O-CG 3.34Å; H221-K225 PolarHBondContact O-N 3.06Å
222S85.6Confident82.3Confident0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-55.9-40.6170.8-172.90000112.3G196 S218 Y219 E227G196-S222 WeakPolarHBondContact O-CB 3.42Å; G196-S222 PolarHBondContact O-OG 3.16Å; S218-S222 PolarHBondContact O-N 3.09Å; Y219-S222 VanDerWaalsContact O-CB 3.31Å; Y219-S222 WeakPolarHBondContact O-CB 3.26Å; Y219-S222 PolarHBondContact O-N 2.92Å; Y219-S222 VanDerWaalsContact O-N 3.14Å; S222-E227 PolarHBondContact O-N 2.76Å
223I82.4Confident82.4Confident19 Ų1947 Ų4710%0.09723%0.229CC..Hα-helixtrans-71.7-46.1176.7-63.6161.3000112.3Y219 R220 H221 K225 N226 A228 T232 W233 I236Y219-I223 PolarHBondContact O-N 3.23Å; Y219-I223 VanDerWaalsContact O-N 3.09Å; R220-I223 PolarHBondContact O-N 2.93Å; R220-I223 VanDerWaalsContact O-N 3.15Å; H221-I223 PolarHBondContact O-N 3.46Å; I223-K225 PolarHBondContact O-N 3.42Å; I223-N226 PolarHBondContact O-N 3.22Å; I223-N226 VanDerWaalsContact O-N 3.09Å; I223-A228 HydrophobicContact CB-CB 4.47Å; I223-A228 HydrophobicContact CG1-CB 3.99Å; I223-T232 HydrophobicContact CD1-CG2 4.4Å; I223-T232 HydrophobicContact CG1-CG2 4.06Å; I223-W233 HydrophobicContact CD1-CD2 4.33Å; I223-W233 HydrophobicContact CD1-CH2 3.78Å; I223-W233 HydrophobicContact CD1-CZ2 3.45Å; I223-W233 VanDerWaalsContact CD1-CZ2 3.45Å; I223-W233 HydrophobicContact CD1-CZ3 4.34Å; I223-W233 HydrophobicContact CG1-CZ2 4.03Å; I223-W233 HydrophobicContact CG2-CZ2 4.12Å; I223-I236 HydrophobicContact CD1-CD1 3.4Å
224D78.6Confident82.6Confident60 Ų6040.8 Ų40.832%0.32120%0.201SC..Hα-helixtrans-63.9-24.6177.9-71.3-28.5000112R220 H221 R347R220-D224 WeakPolarHBondContact CG-OD2 3.35Å; R220-D224 IonicContact NE-OD2 3.4Å; R220-D224 PolarHBondContact NE-OD2 3.38Å; R220-D224 WeakPolarHBondContact O-CB 3.25Å; R220-D224 PolarHBondContact O-N 3.31Å; H221-D224 PolarHBondContact O-N 2.79Å; D224-R347 IonicContact OD1-CZ 3.66Å; D224-R347 IonicContact OD1-NH1 3.39Å; D224-R347 PolarHBondContact OD1-NH1 3.01Å; D224-R347 IonicContact OD1-NH2 3.27Å; D224-R347 PolarHBondContact OD1-NH2 2.74Å
225K74.2Confident82.6Confident87 Ų8738.8 Ų38.838%0.37819%0.19SC..THydrogen-bonded Turntrans-88.96.5174.6-61.8-71.4178.1164.90114.4P193 H221 I223 E227P193-K225 WeakPolarHBondContact O-CE 3.48Å; P193-K225 PolarHBondContact O-NZ 2.84Å; H221-K225 VanDerWaalsContact O-CB 3.29Å; H221-K225 WeakPolarHBondContact O-CB 3.48Å; H221-K225 WeakPolarHBondContact O-CG 3.34Å; H221-K225 PolarHBondContact O-N 3.06Å; I223-K225 PolarHBondContact O-N 3.42Å; K225-E227 VanDerWaalsContact C-N 3.26Å; K225-E227 PolarHBondContact O-N 3.24Å
226N62.8Low82.6Confident24 Ų2439 Ų3913%0.12819%0.191CC..THydrogen-bonded Turntrans64.615.7175.8-75-21000116.5I223 A351 N354I223-N226 PolarHBondContact O-N 3.22Å; I223-N226 VanDerWaalsContact O-N 3.09Å; N226-A351 HydrophobicContact CB-CB 3.6Å; N226-N354 PolarHBondContact ND2-ND2 2.88Å
227E59.3Low82.7Confident75 Ų7535.7 Ų35.735%0.3518%0.177SC..  trans-97.716.3171.6-68.6-178.2-130.500113.2S195 G196 R197 S222 K225 S229S195-E227 WeakPolarHBondContact CA-OE1 3.45Å; G196-E227 VanDerWaalsContact N-CD 3.27Å; G196-E227 PolarHBondContact N-OE1 2.87Å; R197-E227 WeakPolarHBondContact CB-OE2 3.29Å; R197-E227 PolarHBondContact N-OE2 3.14Å; S222-E227 PolarHBondContact O-N 2.76Å; K225-E227 VanDerWaalsContact C-N 3.26Å; K225-E227 PolarHBondContact O-N 3.24Å; E227-S229 PolarHBondContact O-N 3.45Å
228A61.1Low82.9Confident25 Ų2534.4 Ų34.421%0.20717%0.172CC..  trans-54.2112.9176.100000112I223I223-A228 HydrophobicContact CB-CB 4.47Å; I223-A228 HydrophobicContact CG1-CB 3.99Å
229S74.5Confident82.9Confident39 Ų3934.3 Ų34.327%0.27317%0.171SC..  trans-98.8168.2167.271.70000110.9E227 D231 T232 W233E227-S229 PolarHBondContact O-N 3.45Å; S229-D231 WeakPolarHBondContact CB-OD2 3.37Å; S229-D231 PolarHBondContact O-N 3.5Å; S229-D231 PolarHBondContact OG-N 3.26Å; S229-D231 PolarHBondContact OG-OD2 2.88Å; S229-T232 PolarHBondContact N-OG1 2.94Å; S229-T232 VanDerWaalsContact O-CB 3.29Å; S229-T232 WeakPolarHBondContact O-CB 3.04Å; S229-T232 PolarHBondContact O-N 2.99Å; S229-T232 PolarHBondContact OG-N 3.25Å; S229-T232 PolarHBondContact OG-OG1 3.14Å; S229-W233 PolarHBondContact O-N 3.05Å
230A83.1Confident83Confident8 Ų836.8 Ų36.87%0.06618%0.18CC..Hα-helixtrans-58.4-34.8170.500000111.8T232 W233 C234 A256 L259 D260 L263A230-T232 PolarHBondContact O-N 3.12Å; A230-W233 PolarHBondContact O-N 3.19Å; A230-C234 VanDerWaalsContact O-CB 3.31Å; A230-C234 WeakPolarHBondContact O-CB 3.48Å; A230-C234 PolarHBondContact O-N 2.78Å; A230-A256 WeakPolarHBondContact CB-O 3.33Å; A230-A256 WeakPolarHBondContact O-CB 3.25Å; A230-L259 HydrophobicContact CB-CB 3.99Å; A230-D260 HydrophobicContact CB-CB 3.71Å; A230-L263 HydrophobicContact CB-CD2 3.53Å
231D85.6Confident83.2Confident74 Ų7431.5 Ų31.540%0.39616%0.162SC..Hα-helixtrans-61.4-31.1174.3-28.2-111.1000113.1Y200 S229 S235Y200-D231 WeakPolarHBondContact OH-CB 3.45Å; S229-D231 WeakPolarHBondContact CB-OD2 3.37Å; S229-D231 PolarHBondContact O-N 3.5Å; S229-D231 PolarHBondContact OG-N 3.26Å; S229-D231 PolarHBondContact OG-OD2 2.88Å; D231-S235 VanDerWaalsContact O-CB 3.27Å; D231-S235 WeakPolarHBondContact O-CB 3.46Å; D231-S235 PolarHBondContact O-N 3.05Å; D231-S235 PolarHBondContact O-OG 3.21Å
232T88.3Confident83.4Confident1 Ų132.7 Ų32.71%0.00617%0.167CC..Hα-helixtrans-66.6-47.3177.6-54.50000109.7Y200 I223 S229 A230 S235 I236Y200-T232 HydrophobicContact CD2-CG2 4.27Å; I223-T232 HydrophobicContact CD1-CG2 4.4Å; I223-T232 HydrophobicContact CG1-CG2 4.06Å; S229-T232 PolarHBondContact N-OG1 2.94Å; S229-T232 VanDerWaalsContact O-CB 3.29Å; S229-T232 WeakPolarHBondContact O-CB 3.04Å; S229-T232 PolarHBondContact O-N 2.99Å; S229-T232 PolarHBondContact OG-N 3.25Å; S229-T232 PolarHBondContact OG-OG1 3.14Å; A230-T232 PolarHBondContact O-N 3.12Å; T232-S235 PolarHBondContact O-N 3.19Å; T232-I236 HydrophobicContact CG2-CD1 4.31Å; T232-I236 VanDerWaalsContact O-CG1 3.31Å; T232-I236 WeakPolarHBondContact O-CG1 3.43Å; T232-I236 PolarHBondContact O-N 3.3Å
233W90Very high83.6Confident35 Ų3537 Ų3713%0.13319%0.188CC..Hα-helixtrans-70.6-38.9177.6-7298.9000112.6I223 S229 A230 S235 I236 G237 A252 C255 A256 L259 L344I223-W233 HydrophobicContact CD1-CD2 4.33Å; I223-W233 HydrophobicContact CD1-CH2 3.78Å; I223-W233 HydrophobicContact CD1-CZ2 3.45Å; I223-W233 VanDerWaalsContact CD1-CZ2 3.45Å; I223-W233 HydrophobicContact CD1-CZ3 4.34Å; I223-W233 HydrophobicContact CG1-CZ2 4.03Å; I223-W233 HydrophobicContact CG2-CZ2 4.12Å; S229-W233 PolarHBondContact O-N 3.05Å; A230-W233 PolarHBondContact O-N 3.19Å; W233-S235 VanDerWaalsContact C-N 3.33Å; W233-S235 PolarHBondContact O-N 3.38Å; W233-I236 HydrophobicContact CD2-CD1 4.49Å; W233-I236 HydrophobicContact CE3-CD1 4.22Å; W233-I236 HydrophobicContact CZ3-CD1 4.5Å; W233-I236 PolarHBondContact O-N 3.41Å; W233-I236 VanDerWaalsContact O-N 3.17Å; W233-G237 PolarHBondContact O-N 3.41Å; W233-A252 HydrophobicContact CE3-CB 4.35Å; W233-C255 HydrophobicContact CB-CB 4.34Å; W233-C255 HydrophobicContact CD2-CB 3.83Å; W233-C255 HydrophobicContact CE3-CB 3.86Å; W233-C255 HydrophobicContact CG-CB 4.05Å; W233-C255 HydrophobicContact CZ3-CB 4.49Å; W233-A256 HydrophobicContact CB-CB 3.84Å; W233-L259 HydrophobicContact CG-CD1 4.25Å; W233-L344 HydrophobicContact CH2-CD1 3.67Å; W233-L344 HydrophobicContact CH2-CG 4.23Å; W233-L344 HydrophobicContact CZ2-CD1 3.55Å; W233-L344 HydrophobicContact CZ2-CD2 3.82Å; W233-L344 HydrophobicContact CZ2-CG 3.73Å; W233-L344 HydrophobicContact CZ3-CD1 4.33Å
234C91.8Very high83.9Confident6 Ų647 Ų474%0.04122%0.224CC..Hα-helixtrans-55.6-46.9170.1-162.10000111.3A230 I236 G237 V238 A256 L263 S265 A266 D269A230-C234 VanDerWaalsContact O-CB 3.31Å; A230-C234 WeakPolarHBondContact O-CB 3.48Å; A230-C234 PolarHBondContact O-N 2.78Å; C234-I236 VanDerWaalsContact C-N 3.33Å; C234-I236 PolarHBondContact O-N 3.27Å; C234-G237 PolarHBondContact O-N 3.43Å; C234-V238 WeakPolarHBondContact O-CG2 3.32Å; C234-V238 PolarHBondContact O-N 3.43Å; C234-A256 HydrophobicContact CB-CB 4.31Å; C234-L263 HydrophobicContact CB-CD2 4.15Å; C234-S265 PolarHBondContact SG-OG 2.89Å; C234-A266 HydrophobicContact CB-CB 4.48Å; C234-A266 VanDerWaalsContact SG-CA 3.54Å; C234-A266 PolarHBondContact SG-N 2.93Å; C234-D269 PolarHBondContact SG-OD2 2.97Å; C234-D269 VanDerWaalsContact SG-OD2 3.34Å
235S92Very high84.4Confident5 Ų548.3 Ų48.34%0.03523%0.228CC..Hα-helixtrans-71.4-24.4178.8-60.80000113.7Y200 R204 D231 T232 W233 L239Y200-S235 PolarHBondContact OH-OG 3.4Å; R204-S235 PolarHBondContact NH1-OG 3.27Å; D231-S235 VanDerWaalsContact O-CB 3.27Å; D231-S235 WeakPolarHBondContact O-CB 3.46Å; D231-S235 PolarHBondContact O-N 3.05Å; D231-S235 PolarHBondContact O-OG 3.21Å; T232-S235 PolarHBondContact O-N 3.19Å; W233-S235 VanDerWaalsContact C-N 3.33Å; W233-S235 PolarHBondContact O-N 3.38Å; S235-L239 WeakPolarHBondContact O-CB 3.23Å; S235-L239 PolarHBondContact O-N 2.93Å
236I91.4Very high85.1Confident4 Ų445.5 Ų45.52%0.02122%0.219CC..Hα-helixtrans-72.5-41.7169-71.3164.1000110.4Y219 I223 T232 W233 C234 V238 L239 Y240 A252Y219-I236 HydrophobicContact CD2-CG1 3.74Å; Y219-I236 HydrophobicContact CG-CG1 3.94Å; I223-I236 HydrophobicContact CD1-CD1 3.4Å; T232-I236 HydrophobicContact CG2-CD1 4.31Å; T232-I236 VanDerWaalsContact O-CG1 3.31Å; T232-I236 WeakPolarHBondContact O-CG1 3.43Å; T232-I236 PolarHBondContact O-N 3.3Å; W233-I236 HydrophobicContact CD2-CD1 4.49Å; W233-I236 HydrophobicContact CE3-CD1 4.22Å; W233-I236 HydrophobicContact CZ3-CD1 4.5Å; W233-I236 PolarHBondContact O-N 3.41Å; W233-I236 VanDerWaalsContact O-N 3.17Å; C234-I236 VanDerWaalsContact C-N 3.33Å; C234-I236 PolarHBondContact O-N 3.27Å; I236-V238 PolarHBondContact O-N 3.1Å; I236-L239 WeakPolarHBondContact O-CB 3.44Å; I236-L239 PolarHBondContact O-N 3.03Å; I236-L239 VanDerWaalsContact O-N 3.14Å; I236-Y240 HydrophobicContact CG2-CD2 3.52Å; I236-Y240 HydrophobicContact CG2-CE2 3.33Å; I236-Y240 WeakPolarHBondContact O-CD2 3.31Å; I236-Y240 PolarHBondContact O-N 3.16Å; I236-A252 HydrophobicContact CB-CB 4.37Å; I236-A252 HydrophobicContact CG2-CB 3.92Å
237G91.5Very high86.2Confident0 Ų049.5 Ų49.50%024%0.235CC..Hα-helixtrans-58.7-47.8175.400000112.3W233 C234 L239 Y240 Q241 A249 Y253W233-G237 PolarHBondContact O-N 3.41Å; C234-G237 PolarHBondContact O-N 3.43Å; G237-L239 VanDerWaalsContact C-N 3.26Å; G237-L239 PolarHBondContact O-N 3.21Å; G237-Y240 PolarHBondContact O-N 2.84Å; G237-Q241 WeakPolarHBondContact O-CB 3.24Å; G237-Q241 PolarHBondContact O-N 3.47Å; G237-A249 WeakPolarHBondContact O-CB 3.35Å; G237-Y253 VanDerWaalsContact C-CZ 3.48Å; G237-Y253 VanDerWaalsContact C-OH 3.22Å
238V92.8Very high87.6Confident37 Ų3749 Ų4922%0.22424%0.235CC..Hα-helixtrans-59.4-38.5174.8172.40000111.4C234 I236 Q242 Y253 D269C234-V238 WeakPolarHBondContact O-CG2 3.32Å; C234-V238 PolarHBondContact O-N 3.43Å; I236-V238 PolarHBondContact O-N 3.1Å; V238-Q242 VanDerWaalsContact O-CG 3.26Å; V238-Q242 WeakPolarHBondContact O-CG 3.49Å; V238-Q242 PolarHBondContact O-N 2.86Å; V238-Y253 VanDerWaalsContact CA-OH 3.29Å; V238-Y253 WeakPolarHBondContact CA-OH 3.25Å; V238-Y253 HydrophobicContact CG2-CE1 4.23Å; V238-Y253 WeakPolarHBondContact CG2-OH 3.48Å; V238-Y253 PolarHBondContact N-OH 3.48Å; V238-Y253 VanDerWaalsContact N-OH 3.08Å; V238-D269 HydrophobicContact CG2-CB 4.3Å
239L92.2Very high89Confident8 Ų847.8 Ų47.84%0.04223%0.225CC..Hα-helixtrans-67.3-44.1177.5-171.768.3000112.1A212 A215 F216 Y219 S235 I236 G237 Q242 Q243A212-L239 HydrophobicContact CB-CD1 3.94Å; A215-L239 HydrophobicContact CB-CD1 4.23Å; A215-L239 HydrophobicContact CB-CD2 3.97Å; F216-L239 HydrophobicContact CB-CD2 3.95Å; Y219-L239 HydrophobicContact CD2-CD2 4.05Å; Y219-L239 HydrophobicContact CE2-CB 4.44Å; Y219-L239 HydrophobicContact CE2-CD2 4.01Å; S235-L239 WeakPolarHBondContact O-CB 3.23Å; S235-L239 PolarHBondContact O-N 2.93Å; I236-L239 WeakPolarHBondContact O-CB 3.44Å; I236-L239 PolarHBondContact O-N 3.03Å; I236-L239 VanDerWaalsContact O-N 3.14Å; G237-L239 VanDerWaalsContact C-N 3.26Å; G237-L239 PolarHBondContact O-N 3.21Å; L239-Q242 WeakPolarHBondContact O-CB 3.36Å; L239-Q242 PolarHBondContact O-N 3.37Å; L239-Q243 WeakPolarHBondContact O-CG 3.37Å; L239-Q243 PolarHBondContact O-N 3.05Å
240Y91.9Very high89.7Confident52 Ų5246.1 Ų46.120%0.20421%0.213CC..Hα-helixtrans-64.9-39.1175.5-79.3-55000112.4F216 I236 G237 Q242 Q243 R244 Q245 D248 A252F216-Y240 AromaticContact CE2-CZ 3.94Å; F216-Y240 VanDerWaalsContact CE2-OH 3.28Å; F216-Y240 WeakPolarHBondContact CE2-OH 3.48Å; I236-Y240 HydrophobicContact CG2-CD2 3.52Å; I236-Y240 HydrophobicContact CG2-CE2 3.33Å; I236-Y240 WeakPolarHBondContact O-CD2 3.31Å; I236-Y240 PolarHBondContact O-N 3.16Å; G237-Y240 PolarHBondContact O-N 2.84Å; Y240-Q242 VanDerWaalsContact C-N 3.35Å; Y240-Q242 PolarHBondContact O-N 3.12Å; Y240-Q243 CarbonylContact O-C 3.54Å; Y240-Q243 WeakPolarHBondContact O-CA 3.26Å; Y240-Q243 PolarHBondContact O-N 3.43Å; Y240-Q243 VanDerWaalsContact O-N 3.08Å; Y240-R244 PolarHBondContact O-N 3Å; Y240-R244 VanDerWaalsContact O-N 3.11Å; Y240-Q245 HydrophobicContact CD1-CB 4.1Å; Y240-Q245 VanDerWaalsContact CD1-OE1 3.24Å; Y240-Q245 PolarHBondContact O-N 3.2Å; Y240-D248 HydrophobicContact CD1-CB 3.69Å; Y240-D248 HydrophobicContact CD2-CB 3.76Å; Y240-D248 HydrophobicContact CE1-CB 3.86Å; Y240-D248 HydrophobicContact CE2-CB 3.93Å; Y240-D248 HydrophobicContact CG-CB 3.63Å; Y240-A252 HydrophobicContact CD2-CB 4.42Å
241Q91.7Very high90Very high30 Ų3048.8 Ų48.814%0.1422%0.224CC..Hα-helixtrans-62.7-40.9175-169.7170.46.600111.5G237 Q243 R244 A249 Y253 L273 Q276G237-Q241 WeakPolarHBondContact O-CB 3.24Å; G237-Q241 PolarHBondContact O-N 3.47Å; Q241-Q243 VanDerWaalsContact C-N 3.31Å; Q241-Q243 PolarHBondContact O-N 2.99Å; Q241-R244 PolarHBondContact O-N 3.46Å; Q241-R244 VanDerWaalsContact O-N 3.09Å; Q241-A249 HydrophobicContact CB-CB 4.13Å; Q241-Y253 PolarHBondContact OE1-OH 3.4Å; Q241-L273 HydrophobicContact CG-CD1 3.97Å; Q241-Q276 VanDerWaalsContact NE2-CD 3.34Å
242Q90Very high90.1Very high97 Ų9745.4 Ų45.445%0.45321%0.207SC..Hα-helixtrans-61.9-35.5171.1-72.71694.200112.8V238 L239 Y240 R244V238-Q242 VanDerWaalsContact O-CG 3.26Å; V238-Q242 WeakPolarHBondContact O-CG 3.49Å; V238-Q242 PolarHBondContact O-N 2.86Å; L239-Q242 WeakPolarHBondContact O-CB 3.36Å; L239-Q242 PolarHBondContact O-N 3.37Å; Y240-Q242 VanDerWaalsContact C-N 3.35Å; Y240-Q242 PolarHBondContact O-N 3.12Å; Q242-R244 PolarHBondContact O-N 3.04Å
243Q89.5Confident90.2Very high92 Ų9245.3 Ų45.343%0.4321%0.206SC..THydrogen-bonded Turntrans-80.95.5174.5-62.8-53.2-64.300114.1A212 L239 Y240 Q241 Q245A212-Q243 HydrophobicContact CB-CG 4.3Å; L239-Q243 WeakPolarHBondContact O-CG 3.37Å; L239-Q243 PolarHBondContact O-N 3.05Å; Y240-Q243 CarbonylContact O-C 3.54Å; Y240-Q243 WeakPolarHBondContact O-CA 3.26Å; Y240-Q243 PolarHBondContact O-N 3.43Å; Y240-Q243 VanDerWaalsContact O-N 3.08Å; Q241-Q243 VanDerWaalsContact C-N 3.31Å; Q241-Q243 PolarHBondContact O-N 2.99Å; Q243-Q245 VanDerWaalsContact C-N 3.3Å; Q243-Q245 PolarHBondContact O-N 3.47Å
244R89.7Confident90.1Very high227 Ų22743.9 Ų43.986%0.85720%0.202SC*.THydrogen-bonded Turntrans58.137.8-176.5-52.1-176.6178.2-150.2-1.5113.6Y240 Q241 Q242 P246Y240-R244 PolarHBondContact O-N 3Å; Y240-R244 VanDerWaalsContact O-N 3.11Å; Q241-R244 PolarHBondContact O-N 3.46Å; Q241-R244 VanDerWaalsContact O-N 3.09Å; Q242-R244 PolarHBondContact O-N 3.04Å; R244-P246 VanDerWaalsContact O-CD 3.24Å; R244-P246 WeakPolarHBondContact O-CD 3.45Å
245Q89.1Confident89.8Confident88 Ų8843.8 Ų43.841%0.41120%0.201SC..  trans-110.780.6175.7-71.2-178.6-31.500109.4Y240 Q243 D248 A249Y240-Q245 HydrophobicContact CD1-CB 4.1Å; Y240-Q245 VanDerWaalsContact CD1-OE1 3.24Å; Y240-Q245 PolarHBondContact O-N 3.2Å; Q243-Q245 VanDerWaalsContact C-N 3.3Å; Q243-Q245 PolarHBondContact O-N 3.47Å; Q245-D248 HydrophobicContact CB-CB 4.23Å; Q245-A249 WeakPolarHBondContact O-CB 3.39Å; Q245-A249 PolarHBondContact O-N 2.92Å
246P88.7Confident89.5Confident28 Ų2843.6 Ų43.618%0.18220%0.2CC..Hα-helixtrans-77.6-26.5-165.332.9-38.5000113.6R244 L250 L273 H277 L329R244-P246 VanDerWaalsContact O-CD 3.24Å; R244-P246 WeakPolarHBondContact O-CD 3.45Å; P246-L250 WeakPolarHBondContact O-CB 3.24Å; P246-L250 PolarHBondContact O-N 2.77Å; P246-L273 HydrophobicContact CB-CD1 3.95Å; P246-H277 VanDerWaalsContact CB-CE1 3.45Å; P246-H277 WeakPolarHBondContact CB-CE1 3.21Å; P246-H277 WeakPolarHBondContact CB-NE2 3.37Å; P246-L329 HydrophobicContact CB-CD1 4.42Å; P246-L329 HydrophobicContact CB-CD2 4.11Å; P246-L329 HydrophobicContact CG-CD2 4.44Å
247F86.8Confident89.3Confident108 Ų10844.3 Ų44.347%0.47420%0.203SC..Hα-helixtrans-71.3-43.9174.5-72.2-88.3000111.5A249 L250 Q251 L329F247-A249 VanDerWaalsContact C-N 3.32Å; F247-A249 PolarHBondContact O-N 3.1Å; F247-L250 PolarHBondContact O-N 2.9Å; F247-Q251 PolarHBondContact O-N 2.94Å; F247-L329 HydrophobicContact CD1-CD2 4.03Å; F247-L329 HydrophobicContact CD2-CD2 4.19Å; F247-L329 HydrophobicContact CE1-CD2 4Å; F247-L329 HydrophobicContact CE2-CD2 4.14Å; F247-L329 HydrophobicContact CG-CD2 4.13Å; F247-L329 HydrophobicContact CZ-CD2 4.04Å
248D86.8Confident88.9Confident65 Ų6548 Ų4835%0.34822%0.221SC..Hα-helixtrans-64.2-37.9173.8-51.1-102.3000111.4Y240 Q245 Q251 A252Y240-D248 HydrophobicContact CD1-CB 3.69Å; Y240-D248 HydrophobicContact CD2-CB 3.76Å; Y240-D248 HydrophobicContact CE1-CB 3.86Å; Y240-D248 HydrophobicContact CE2-CB 3.93Å; Y240-D248 HydrophobicContact CG-CB 3.63Å; Q245-D248 HydrophobicContact CB-CB 4.23Å; D248-Q251 PolarHBondContact O-N 3.38Å; D248-A252 WeakPolarHBondContact O-CB 3.3Å; D248-A252 PolarHBondContact O-N 2.84Å
249A91.2Very high88.1Confident0 Ų049.1 Ų49.10%023%0.225CC..Hα-helixtrans-62.6-47.7172.600000112.1G237 Q241 Q245 F247 Q251 A252 Y253 L273G237-A249 WeakPolarHBondContact O-CB 3.35Å; Q241-A249 HydrophobicContact CB-CB 4.13Å; Q245-A249 WeakPolarHBondContact O-CB 3.39Å; Q245-A249 PolarHBondContact O-N 2.92Å; F247-A249 VanDerWaalsContact C-N 3.32Å; F247-A249 PolarHBondContact O-N 3.1Å; A249-Q251 PolarHBondContact O-N 3.13Å; A249-A252 PolarHBondContact O-N 3.27Å; A249-Y253 HydrophobicContact CB-CE2 4.21Å; A249-Y253 WeakPolarHBondContact O-CD2 3.24Å; A249-Y253 PolarHBondContact O-N 3.44Å; A249-L273 HydrophobicContact CB-CD1 4.35Å; A249-L273 HydrophobicContact CB-CD2 4Å
250L90.4Very high87.4Confident3 Ų351.8 Ų51.82%0.01624%0.239CC..Hα-helixtrans-58-46.8175.817664.4000111.7P246 F247 A252 Y253 A254 L270 L273 Y274 L329 P330 I335 L338P246-L250 WeakPolarHBondContact O-CB 3.24Å; P246-L250 PolarHBondContact O-N 2.77Å; F247-L250 PolarHBondContact O-N 2.9Å; L250-A252 VanDerWaalsContact C-N 3.32Å; L250-A252 PolarHBondContact O-N 3.46Å; L250-Y253 PolarHBondContact O-N 3.38Å; L250-A254 WeakPolarHBondContact O-CB 3.4Å; L250-A254 PolarHBondContact O-N 3.4Å; L250-L270 HydrophobicContact CD1-CD1 3.52Å; L250-L273 HydrophobicContact CB-CD2 4.01Å; L250-Y274 HydrophobicContact CD1-CE2 4.49Å; L250-L329 HydrophobicContact CD2-CB 4.32Å; L250-L329 HydrophobicContact CD2-CD2 4.36Å; L250-P330 HydrophobicContact CD2-CB 4.24Å; L250-P330 HydrophobicContact CD2-CG 4.1Å; L250-I335 HydrophobicContact CD1-CG1 4.41Å; L250-L338 HydrophobicContact CD2-CD1 4.1Å; L250-L338 HydrophobicContact CG-CD1 3.9Å
251Q87.4Confident87Confident64 Ų6451.8 Ų51.830%0.29925%0.25SC..Hα-helixtrans-64.2-36.9178.4-165.6-177.43200111.8F247 D248 A249 A254 C255 P339F247-Q251 PolarHBondContact O-N 2.94Å; D248-Q251 PolarHBondContact O-N 3.38Å; A249-Q251 PolarHBondContact O-N 3.13Å; Q251-A254 WeakPolarHBondContact O-CB 3.46Å; Q251-A254 PolarHBondContact O-N 2.79Å; Q251-C255 PolarHBondContact O-N 2.95Å; Q251-C255 PolarHBondContact O-SG 3.44Å; Q251-P339 PolarHBondContact NE2-O 2.86Å
252A88.2Confident86.5Confident3 Ų353.2 Ų53.23%0.02526%0.263CS..Hα-helixtrans-69.4-39.6175.300000112.7W233 I236 Y240 D248 A249 L250 C255 A256W233-A252 HydrophobicContact CE3-CB 4.35Å; I236-A252 HydrophobicContact CB-CB 4.37Å; I236-A252 HydrophobicContact CG2-CB 3.92Å; Y240-A252 HydrophobicContact CD2-CB 4.42Å; D248-A252 WeakPolarHBondContact O-CB 3.3Å; D248-A252 PolarHBondContact O-N 2.84Å; A249-A252 PolarHBondContact O-N 3.27Å; L250-A252 VanDerWaalsContact C-N 3.32Å; L250-A252 PolarHBondContact O-N 3.46Å; A252-C255 PolarHBondContact O-N 2.83Å; A252-A256 PolarHBondContact O-N 2.87Å
253Y91.4Very high86.3Confident0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-66.6-37.8172.8-64.5-45.7000112.2G237 V238 Q241 A249 L250 A256 I257 D269 L270 L273G237-Y253 VanDerWaalsContact C-CZ 3.48Å; G237-Y253 VanDerWaalsContact C-OH 3.22Å; V238-Y253 VanDerWaalsContact CA-OH 3.29Å; V238-Y253 WeakPolarHBondContact CA-OH 3.25Å; V238-Y253 HydrophobicContact CG2-CE1 4.23Å; V238-Y253 WeakPolarHBondContact CG2-OH 3.48Å; V238-Y253 PolarHBondContact N-OH 3.48Å; V238-Y253 VanDerWaalsContact N-OH 3.08Å; Q241-Y253 PolarHBondContact OE1-OH 3.4Å; A249-Y253 HydrophobicContact CB-CE2 4.21Å; A249-Y253 WeakPolarHBondContact O-CD2 3.24Å; A249-Y253 PolarHBondContact O-N 3.44Å; L250-Y253 PolarHBondContact O-N 3.38Å; Y253-A256 WeakPolarHBondContact O-CB 3.38Å; Y253-A256 PolarHBondContact O-N 3.24Å; Y253-I257 WeakPolarHBondContact O-CG1 3.47Å; Y253-I257 PolarHBondContact O-N 2.73Å; Y253-D269 HydrophobicContact CD1-CB 4.34Å; Y253-D269 HydrophobicContact CE1-CB 3.54Å; Y253-D269 HydrophobicContact CE2-CB 4.38Å; Y253-L270 HydrophobicContact CD2-CB 4.11Å; Y253-L270 HydrophobicContact CD2-CD1 4.08Å; Y253-L270 HydrophobicContact CG-CB 4.22Å; Y253-L273 HydrophobicContact CD2-CD2 3.96Å; Y253-L273 HydrophobicContact CE2-CB 4.27Å; Y253-L273 HydrophobicContact CE2-CD2 4Å
254A87.9Confident86.2Confident4 Ų446.3 Ų46.33%0.03323%0.234CC..Hα-helixtrans-56.6-52.5171.500000111.1L250 Q251 A256 I257 E258 I335 L338L250-A254 WeakPolarHBondContact O-CB 3.4Å; L250-A254 PolarHBondContact O-N 3.4Å; Q251-A254 WeakPolarHBondContact O-CB 3.46Å; Q251-A254 PolarHBondContact O-N 2.79Å; A254-A256 PolarHBondContact O-N 3.25Å; A254-I257 PolarHBondContact O-N 2.97Å; A254-I257 VanDerWaalsContact O-N 3.1Å; A254-E258 WeakPolarHBondContact O-CG 3.49Å; A254-E258 PolarHBondContact O-N 2.93Å; A254-I335 HydrophobicContact CB-CG2 3.64Å; A254-L338 HydrophobicContact CB-CD1 4.16Å
255C84.6Confident86.1Confident5 Ų537.6 Ų37.63%0.03421%0.208CC..Hα-helixtrans-59.5-30.5177-64.70000113W233 Q251 A252 L259 L344W233-C255 HydrophobicContact CB-CB 4.34Å; W233-C255 HydrophobicContact CD2-CB 3.83Å; W233-C255 HydrophobicContact CE3-CB 3.86Å; W233-C255 HydrophobicContact CG-CB 4.05Å; W233-C255 HydrophobicContact CZ3-CB 4.49Å; Q251-C255 PolarHBondContact O-N 2.95Å; Q251-C255 PolarHBondContact O-SG 3.44Å; A252-C255 PolarHBondContact O-N 2.83Å; C255-L259 WeakPolarHBondContact O-CB 3.34Å; C255-L259 WeakPolarHBondContact O-CD1 3.39Å; C255-L259 VanDerWaalsContact O-CG 3.26Å; C255-L259 WeakPolarHBondContact O-CG 3.16Å; C255-L259 PolarHBondContact O-N 3.2Å; C255-L344 HydrophobicContact CB-CD1 4.14Å; C255-L344 WeakPolarHBondContact SG-CD1 3.36Å
256A86.8Confident86.2Confident0 Ų033.4 Ų33.40%019%0.188CC..Hα-helixtrans-71.1-44.5174.900000112A230 W233 C234 A252 Y253 A254 L259 D260 A266A230-A256 WeakPolarHBondContact CB-O 3.33Å; A230-A256 WeakPolarHBondContact O-CB 3.25Å; W233-A256 HydrophobicContact CB-CB 3.84Å; C234-A256 HydrophobicContact CB-CB 4.31Å; A252-A256 PolarHBondContact O-N 2.87Å; Y253-A256 WeakPolarHBondContact O-CB 3.38Å; Y253-A256 PolarHBondContact O-N 3.24Å; A254-A256 PolarHBondContact O-N 3.25Å; A256-L259 PolarHBondContact O-N 3.28Å; A256-D260 PolarHBondContact O-N 3.14Å; A256-A266 HydrophobicContact CB-CB 3.93Å
257I87.3Confident86.3Confident19 Ų1933.4 Ų33.410%0.09719%0.185CC..Hα-helixtrans-69.3-34.2180-68.9163.9000111.4Y253 A254 L259 D260 A261 A266 W267 L270Y253-I257 WeakPolarHBondContact O-CG1 3.47Å; Y253-I257 PolarHBondContact O-N 2.73Å; A254-I257 PolarHBondContact O-N 2.97Å; A254-I257 VanDerWaalsContact O-N 3.1Å; I257-L259 VanDerWaalsContact C-N 3.32Å; I257-D260 CarbonylContact O-C 3.52Å; I257-A261 VanDerWaalsContact O-CA 3.31Å; I257-A261 WeakPolarHBondContact O-CA 3.5Å; I257-A261 PolarHBondContact O-N 3.43Å; I257-A266 HydrophobicContact CG1-CB 3.99Å; I257-W267 HydrophobicContact CD1-CD2 3.84Å; I257-W267 HydrophobicContact CD1-CE3 3.78Å; I257-W267 HydrophobicContact CD1-CH2 4.09Å; I257-W267 HydrophobicContact CD1-CZ2 4.15Å; I257-W267 HydrophobicContact CD1-CZ3 3.9Å; I257-W267 HydrophobicContact CG1-CD2 4.26Å; I257-W267 HydrophobicContact CG1-CZ2 4.3Å; I257-W267 HydrophobicContact CG2-CH2 3.92Å; I257-W267 HydrophobicContact CG2-CZ2 3.45Å; I257-W267 VanDerWaalsContact CG2-CZ2 3.45Å; I257-L270 HydrophobicContact CD1-CD2 3.62Å
258E82.7Confident86.6Confident79 Ų7929.6 Ų29.637%0.36917%0.17SC..Hα-helixtrans-67.7-30.1172.2-71.4178.4159.900113.3A254 I340A254-E258 WeakPolarHBondContact O-CG 3.49Å; A254-E258 PolarHBondContact O-N 2.93Å; E258-I340 WeakPolarHBondContact OE1-CD1 3.39Å; E258-I340 VanDerWaalsContact OE2-CD1 3.28Å; E258-I340 WeakPolarHBondContact OE2-CD1 3.35Å; E258-I340 WeakPolarHBondContact OE2-CG1 3.43Å
259L76.1Confident86.9Confident60 Ų6028.3 Ų28.331%0.31416%0.163SC..Hα-helixtrans-81.2-37.7176.4-77.8169.1000112.6A230 W233 C255 A256 I257 Q348A230-L259 HydrophobicContact CB-CB 3.99Å; W233-L259 HydrophobicContact CG-CD1 4.25Å; C255-L259 WeakPolarHBondContact O-CB 3.34Å; C255-L259 WeakPolarHBondContact O-CD1 3.39Å; C255-L259 VanDerWaalsContact O-CG 3.26Å; C255-L259 WeakPolarHBondContact O-CG 3.16Å; C255-L259 PolarHBondContact O-N 3.2Å; A256-L259 PolarHBondContact O-N 3.28Å; I257-L259 VanDerWaalsContact C-N 3.32Å; L259-Q348 HydrophobicContact CD2-CG 4.47Å
260D77.2Confident86.9Confident64 Ų6428.3 Ų28.334%0.34216%0.163SC..  trans-15297.4173.2-177.43.9000111.2A230 A256 I257 S262 L263A230-D260 HydrophobicContact CB-CB 3.71Å; A256-D260 PolarHBondContact O-N 3.14Å; I257-D260 CarbonylContact O-C 3.52Å; D260-S262 PolarHBondContact O-N 3.11Å; D260-S262 VanDerWaalsContact O-N 3.12Å; D260-S262 WeakPolarHBondContact OD1-CA 3.28Å; D260-S262 VanDerWaalsContact OD1-CB 3.3Å; D260-S262 WeakPolarHBondContact OD1-CB 3.33Å; D260-S262 PolarHBondContact OD1-N 3.33Å; D260-S262 PolarHBondContact OD1-OG 3.08Å; D260-S262 PolarHBondContact OD2-OG 3.11Å; D260-L263 HydrophobicContact CB-CB 4.23Å; D260-L263 WeakPolarHBondContact O-CB 3.25Å; D260-L263 PolarHBondContact O-N 2.82Å; D260-L263 VanDerWaalsContact O-N 3.08Å
261A82.7Confident87Confident51 Ų5128.1 Ų28.142%0.42116%0.162SC..THydrogen-bonded Turntrans-64.7-14.1177.300000113.6I257 W267I257-A261 VanDerWaalsContact O-CA 3.31Å; I257-A261 WeakPolarHBondContact O-CA 3.5Å; I257-A261 PolarHBondContact O-N 3.43Å; A261-W267 PolarHBondContact O-NE1 2.86Å
262S82.8Confident87.2Confident60 Ų6028.4 Ų28.442%0.4217%0.165SC..THydrogen-bonded Turntrans-86.6-8.2175.779.20000113.8D260 S264D260-S262 PolarHBondContact O-N 3.11Å; D260-S262 VanDerWaalsContact O-N 3.12Å; D260-S262 WeakPolarHBondContact OD1-CA 3.28Å; D260-S262 VanDerWaalsContact OD1-CB 3.3Å; D260-S262 WeakPolarHBondContact OD1-CB 3.33Å; D260-S262 PolarHBondContact OD1-N 3.33Å; D260-S262 PolarHBondContact OD1-OG 3.08Å; D260-S262 PolarHBondContact OD2-OG 3.11Å; S262-S264 PolarHBondContact O-N 2.98Å
263L85Confident87.4Confident25 Ų2528.3 Ų28.313%0.13116%0.164CC..  trans-6991.5179.9-177.562.4000111.4A230 C234 D260 S265 A266A230-L263 HydrophobicContact CB-CD2 3.53Å; C234-L263 HydrophobicContact CB-CD2 4.15Å; D260-L263 HydrophobicContact CB-CB 4.23Å; D260-L263 WeakPolarHBondContact O-CB 3.25Å; D260-L263 PolarHBondContact O-N 2.82Å; D260-L263 VanDerWaalsContact O-N 3.08Å; L263-S265 WeakPolarHBondContact CD1-OG 3.47Å; L263-S265 WeakPolarHBondContact CG-OG 3.32Å; L263-S265 PolarHBondContact O-N 2.97Å; L263-S265 VanDerWaalsContact O-N 3.09Å; L263-A266 HydrophobicContact CD2-CB 4.13Å; L263-A266 HydrophobicContact CG-CB 4.28Å; L263-A266 PolarHBondContact O-N 3.49Å
264S87.1Confident87.4Confident19 Ų1928.3 Ų28.313%0.13316%0.164CC..Hα-helixtrans-58.4-27.3-175.569.30000114.6S262 W267 V268 S290 K294S262-S264 PolarHBondContact O-N 2.98Å; S264-W267 PolarHBondContact O-N 2.8Å; S264-V268 WeakPolarHBondContact O-CG2 3.43Å; S264-V268 PolarHBondContact O-N 2.9Å; S264-S290 WeakPolarHBondContact CB-O 3.21Å; S264-K294 WeakPolarHBondContact OG-CE 3.43Å; S264-K294 PolarHBondContact OG-NZ 2.87Å
265S88.4Confident87.5Confident45 Ų4530.2 Ų30.232%0.31517%0.172SC..Hα-helixtrans-67.7-43.1-179.856.20000111.6C234 L263 W267 V268 D269C234-S265 PolarHBondContact SG-OG 2.89Å; L263-S265 WeakPolarHBondContact CD1-OG 3.47Å; L263-S265 WeakPolarHBondContact CG-OG 3.32Å; L263-S265 PolarHBondContact O-N 2.97Å; L263-S265 VanDerWaalsContact O-N 3.09Å; S265-W267 PolarHBondContact O-N 3.11Å; S265-V268 PolarHBondContact O-N 3.07Å; S265-D269 WeakPolarHBondContact O-CB 3.33Å; S265-D269 VanDerWaalsContact O-CG 3.26Å; S265-D269 PolarHBondContact O-N 2.89Å
266A90.4Very high87.8Confident0 Ų035.8 Ų35.80%020%0.198CC..Hα-helixtrans-59.7-38.3177.500000111.4C234 A256 I257 L263 L270C234-A266 HydrophobicContact CB-CB 4.48Å; C234-A266 VanDerWaalsContact SG-CA 3.54Å; C234-A266 PolarHBondContact SG-N 2.93Å; A256-A266 HydrophobicContact CB-CB 3.93Å; I257-A266 HydrophobicContact CG1-CB 3.99Å; L263-A266 HydrophobicContact CD2-CB 4.13Å; L263-A266 HydrophobicContact CG-CB 4.28Å; L263-A266 PolarHBondContact O-N 3.49Å; A266-L270 WeakPolarHBondContact O-CB 3.39Å; A266-L270 PolarHBondContact O-N 3.29Å
267W91.8Very high87.9Confident28 Ų2838.9 Ų38.911%0.10621%0.212CC..Hα-helixtrans-67.8-38.1173.6-72.3114.5000114I257 A261 S264 S265 L270 G271 C286 N289I257-W267 HydrophobicContact CD1-CD2 3.84Å; I257-W267 HydrophobicContact CD1-CE3 3.78Å; I257-W267 HydrophobicContact CD1-CH2 4.09Å; I257-W267 HydrophobicContact CD1-CZ2 4.15Å; I257-W267 HydrophobicContact CD1-CZ3 3.9Å; I257-W267 HydrophobicContact CG1-CD2 4.26Å; I257-W267 HydrophobicContact CG1-CZ2 4.3Å; I257-W267 HydrophobicContact CG2-CH2 3.92Å; I257-W267 HydrophobicContact CG2-CZ2 3.45Å; I257-W267 VanDerWaalsContact CG2-CZ2 3.45Å; A261-W267 PolarHBondContact O-NE1 2.86Å; S264-W267 PolarHBondContact O-N 2.8Å; S265-W267 PolarHBondContact O-N 3.11Å; W267-L270 HydrophobicContact CE3-CD2 4.25Å; W267-L270 HydrophobicContact CZ3-CD2 4.35Å; W267-G271 PolarHBondContact O-N 2.88Å; W267-C286 HydrophobicContact CE3-CB 4.3Å; W267-C286 WeakPolarHBondContact O-CB 3.2Å; W267-N289 HydrophobicContact CD2-CB 3.44Å; W267-N289 VanDerWaalsContact CD2-CB 3.44Å; W267-N289 HydrophobicContact CE3-CB 3.54Å; W267-N289 HydrophobicContact CG-CB 3.96Å; W267-N289 HydrophobicContact CH2-CB 4.04Å; W267-N289 WeakPolarHBondContact CH2-ND2 3.5Å; W267-N289 HydrophobicContact CZ2-CB 3.95Å; W267-N289 HydrophobicContact CZ3-CB 3.85Å; W267-N289 WeakPolarHBondContact CZ3-ND2 3.39Å
268V92Very high87.9Confident27 Ų2740.8 Ų40.816%0.16423%0.231CC..Hα-helixtrans-70.9-47.6176.3169.20000111.4S264 S265 L270 G271 L272 I301S264-V268 WeakPolarHBondContact O-CG2 3.43Å; S264-V268 PolarHBondContact O-N 2.9Å; S265-V268 PolarHBondContact O-N 3.07Å; V268-L270 VanDerWaalsContact C-N 3.31Å; V268-L270 PolarHBondContact O-N 2.86Å; V268-G271 WeakPolarHBondContact O-CA 3.42Å; V268-G271 PolarHBondContact O-N 3.21Å; V268-G271 VanDerWaalsContact O-N 3.09Å; V268-L272 HydrophobicContact CG1-CD1 4.15Å; V268-L272 WeakPolarHBondContact O-CG 3.49Å; V268-L272 PolarHBondContact O-N 3.22Å; V268-I301 HydrophobicContact CG1-CD1 3.76Å; V268-I301 HydrophobicContact CG2-CD1 3.91Å; V268-I301 HydrophobicContact CG2-CG1 4.07Å
269D92.8Very high88.1Confident38 Ų3837.6 Ų37.620%0.20322%0.216CC..Hα-helixtrans-63.4-38.3-179.5-65.4-29.9000111.2C234 V238 Y253 S265 L272 L273C234-D269 PolarHBondContact SG-OD2 2.97Å; C234-D269 VanDerWaalsContact SG-OD2 3.34Å; V238-D269 HydrophobicContact CG2-CB 4.3Å; Y253-D269 HydrophobicContact CD1-CB 4.34Å; Y253-D269 HydrophobicContact CE1-CB 3.54Å; Y253-D269 HydrophobicContact CE2-CB 4.38Å; S265-D269 WeakPolarHBondContact O-CB 3.33Å; S265-D269 VanDerWaalsContact O-CG 3.26Å; S265-D269 PolarHBondContact O-N 2.89Å; D269-L272 PolarHBondContact O-N 3.15Å; D269-L273 PolarHBondContact O-N 3.3Å
270L92.5Very high88.6Confident0 Ų036.6 Ų36.60%021%0.209CC..Hα-helixtrans-66.6-39.6170.617863.6000112.8L250 Y253 I257 A266 W267 V268 L272 L273 Y274 C286 I335L250-L270 HydrophobicContact CD1-CD1 3.52Å; Y253-L270 HydrophobicContact CD2-CB 4.11Å; Y253-L270 HydrophobicContact CD2-CD1 4.08Å; Y253-L270 HydrophobicContact CG-CB 4.22Å; I257-L270 HydrophobicContact CD1-CD2 3.62Å; A266-L270 WeakPolarHBondContact O-CB 3.39Å; A266-L270 PolarHBondContact O-N 3.29Å; W267-L270 HydrophobicContact CE3-CD2 4.25Å; W267-L270 HydrophobicContact CZ3-CD2 4.35Å; V268-L270 VanDerWaalsContact C-N 3.31Å; V268-L270 PolarHBondContact O-N 2.86Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 PolarHBondContact O-N 3.05Å; L270-L273 HydrophobicContact CD1-CD2 4.39Å; L270-L273 WeakPolarHBondContact O-CB 3.33Å; L270-L273 PolarHBondContact O-N 3.03Å; L270-Y274 HydrophobicContact CD1-CD2 3.98Å; L270-Y274 HydrophobicContact CD1-CE2 3.52Å; L270-Y274 HydrophobicContact CD2-CE2 4.27Å; L270-Y274 HydrophobicContact CG-CD2 4.02Å; L270-Y274 HydrophobicContact CG-CE2 3.74Å; L270-Y274 VanDerWaalsContact O-CD2 3.3Å; L270-Y274 WeakPolarHBondContact O-CD2 3.43Å; L270-Y274 PolarHBondContact O-N 2.8Å; L270-C286 VanDerWaalsContact CD2-SG 3.53Å; L270-I335 HydrophobicContact CD2-CD1 3.62Å
271G91.4Very high88.9Confident0 Ų039.1 Ų39.10%021%0.214CC..Hα-helixtrans-59.1-44.7173.300000111.9W267 V268 L273 Y274 E275 A283W267-G271 PolarHBondContact O-N 2.88Å; V268-G271 WeakPolarHBondContact O-CA 3.42Å; V268-G271 PolarHBondContact O-N 3.21Å; V268-G271 VanDerWaalsContact O-N 3.09Å; G271-L273 VanDerWaalsContact C-N 3.32Å; G271-L273 PolarHBondContact O-N 3.25Å; G271-Y274 PolarHBondContact O-N 3.11Å; G271-E275 WeakPolarHBondContact O-CB 3.31Å; G271-E275 PolarHBondContact O-N 3.29Å; G271-A283 WeakPolarHBondContact O-CB 3.33Å
272L92.6Very high89.2Confident69 Ų6937 Ų3736%0.36120%0.196SC..Hα-helixtrans-63.4-34.6174-70166.2000112.5V268 D269 L270 Q276 Y287V268-L272 HydrophobicContact CG1-CD1 4.15Å; V268-L272 WeakPolarHBondContact O-CG 3.49Å; V268-L272 PolarHBondContact O-N 3.22Å; D269-L272 PolarHBondContact O-N 3.15Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 PolarHBondContact O-N 3.05Å; L272-Q276 VanDerWaalsContact O-CG 3.24Å; L272-Q276 WeakPolarHBondContact O-CG 3.37Å; L272-Q276 PolarHBondContact O-N 3.34Å; L272-Y287 WeakPolarHBondContact CD2-OH 3.43Å; L272-Y287 HydrophobicContact CG-CE1 4.45Å; L272-Y287 PolarHBondContact N-OH 3.29Å
273L92.7Very high89.5Confident1 Ų134.1 Ų34.11%0.00518%0.176CC..Hα-helixtrans-65.4-46.2174.8-177.967.8000112Q241 P246 A249 L250 Y253 D269 L270 G271 Q276 H277 L329Q241-L273 HydrophobicContact CG-CD1 3.97Å; P246-L273 HydrophobicContact CB-CD1 3.95Å; A249-L273 HydrophobicContact CB-CD1 4.35Å; A249-L273 HydrophobicContact CB-CD2 4Å; L250-L273 HydrophobicContact CB-CD2 4.01Å; Y253-L273 HydrophobicContact CD2-CD2 3.96Å; Y253-L273 HydrophobicContact CE2-CB 4.27Å; Y253-L273 HydrophobicContact CE2-CD2 4Å; D269-L273 PolarHBondContact O-N 3.3Å; L270-L273 HydrophobicContact CD1-CD2 4.39Å; L270-L273 WeakPolarHBondContact O-CB 3.33Å; L270-L273 PolarHBondContact O-N 3.03Å; G271-L273 VanDerWaalsContact C-N 3.32Å; G271-L273 PolarHBondContact O-N 3.25Å; L273-Q276 PolarHBondContact O-N 3.28Å; L273-H277 PolarHBondContact O-N 3.12Å; L273-H277 PolarHBondContact O-ND1 3.17Å; L273-L329 HydrophobicContact CD1-CD1 4.46Å; L273-L329 HydrophobicContact CD2-CD1 4.17Å; L273-L329 HydrophobicContact CG-CD1 3.91Å
274Y91.4Very high89.8Confident0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-65.8-38.4175-76.5-65.3000112.4L250 L270 G271 Q276 H277 A278 Q279 D282 L329 P330 V332 I335L250-Y274 HydrophobicContact CD1-CE2 4.49Å; L270-Y274 HydrophobicContact CD1-CD2 3.98Å; L270-Y274 HydrophobicContact CD1-CE2 3.52Å; L270-Y274 HydrophobicContact CD2-CE2 4.27Å; L270-Y274 HydrophobicContact CG-CD2 4.02Å; L270-Y274 HydrophobicContact CG-CE2 3.74Å; L270-Y274 VanDerWaalsContact O-CD2 3.3Å; L270-Y274 WeakPolarHBondContact O-CD2 3.43Å; L270-Y274 PolarHBondContact O-N 2.8Å; G271-Y274 PolarHBondContact O-N 3.11Å; Y274-Q276 VanDerWaalsContact C-N 3.32Å; Y274-Q276 PolarHBondContact O-N 3.45Å; Y274-H277 CarbonylContact O-C 3.44Å; Y274-H277 PolarHBondContact O-N 3.11Å; Y274-A278 PolarHBondContact O-N 2.91Å; Y274-Q279 HydrophobicContact CD1-CB 3.92Å; Y274-Q279 HydrophobicContact CG-CB 4.49Å; Y274-Q279 PolarHBondContact O-N 3.27Å; Y274-D282 HydrophobicContact CD1-CB 3.57Å; Y274-D282 HydrophobicContact CD2-CB 3.94Å; Y274-D282 HydrophobicContact CE1-CB 3.86Å; Y274-D282 HydrophobicContact CE2-CB 4.2Å; Y274-D282 HydrophobicContact CG-CB 3.61Å; Y274-L329 HydrophobicContact CD1-CB 4.42Å; Y274-L329 HydrophobicContact CD1-CD1 4.49Å; Y274-L329 HydrophobicContact CE1-CB 4.04Å; Y274-P330 VanDerWaalsContact CE1-O 3.29Å; Y274-P330 WeakPolarHBondContact CE1-O 3.39Å; Y274-P330 PolarHBondContact OH-O 3.09Å; Y274-V332 HydrophobicContact CD2-CG2 4.13Å; Y274-V332 HydrophobicContact CE2-CG2 3.46Å; Y274-V332 VanDerWaalsContact CE2-CG2 3.46Å; Y274-V332 PolarHBondContact OH-N 3.1Å; Y274-I335 HydrophobicContact CE2-CD1 4.47Å
275E90Very high89.8Confident44 Ų4435.4 Ų35.421%0.20618%0.179CC..Hα-helixtrans-60.2-41176.2-170.5178.4133.700111.9G271 H277 A278 F280 A283 Y287 R304 F308G271-E275 WeakPolarHBondContact O-CB 3.31Å; G271-E275 PolarHBondContact O-N 3.29Å; E275-H277 PolarHBondContact O-N 3.47Å; E275-A278 PolarHBondContact O-N 3.15Å; E275-A278 VanDerWaalsContact O-N 3.15Å; E275-F280 HydrophobicContact CG-CD1 4.43Å; E275-F280 HydrophobicContact CG-CE1 4.3Å; E275-A283 HydrophobicContact CB-CB 4.25Å; E275-Y287 PolarHBondContact OE2-OH 2.84Å; E275-R304 VanDerWaalsContact CD-NH2 3.32Å; E275-R304 IonicContact OE1-CZ 2.72Å; E275-R304 IonicContact OE1-NE 3.69Å; E275-R304 PolarHBondContact OE1-NE 3.1Å; E275-R304 IonicContact OE1-NH2 2.62Å; E275-R304 PolarHBondContact OE1-NH2 2.96Å; E275-R304 IonicContact OE2-CZ 3.77Å; E275-R304 IonicContact OE2-NE 3.37Å; E275-R304 PolarHBondContact OE2-NE 3.12Å; E275-R304 IonicContact OE2-NH2 2.72Å; E275-F308 HydrophobicContact CG-CZ 3.99Å; E275-F308 WeakPolarHBondContact OE2-CE2 3.37Å; E275-F308 WeakPolarHBondContact OE2-CZ 3.31Å
276Q90.2Very high89.9Confident123 Ų12333.2 Ų33.258%0.57516%0.164SC*.Hα-helixtrans-63.4-22.2174.4-75.1166.37.700113.9Q241 L272 L273 Y274Q241-Q276 VanDerWaalsContact NE2-CD 3.34Å; L272-Q276 VanDerWaalsContact O-CG 3.24Å; L272-Q276 WeakPolarHBondContact O-CG 3.37Å; L272-Q276 PolarHBondContact O-N 3.34Å; L273-Q276 PolarHBondContact O-N 3.28Å; Y274-Q276 VanDerWaalsContact C-N 3.32Å; Y274-Q276 PolarHBondContact O-N 3.45Å
277H88.8Confident89.9Confident64 Ų6433.3 Ų33.330%0.29616%0.164SC..THydrogen-bonded Turntrans-105.117178.1-62.377.7000112.4P246 L273 Y274 E275 Q279 L329P246-H277 VanDerWaalsContact CB-CE1 3.45Å; P246-H277 WeakPolarHBondContact CB-CE1 3.21Å; P246-H277 WeakPolarHBondContact CB-NE2 3.37Å; L273-H277 PolarHBondContact O-N 3.12Å; L273-H277 PolarHBondContact O-ND1 3.17Å; Y274-H277 CarbonylContact O-C 3.44Å; Y274-H277 PolarHBondContact O-N 3.11Å; E275-H277 PolarHBondContact O-N 3.47Å; H277-Q279 PolarHBondContact O-N 3.33Å; H277-Q279 VanDerWaalsContact O-N 3.14Å; H277-L329 HydrophobicContact CB-CD1 4.35Å
278A86.6Confident89.8Confident59 Ų5936.3 Ų36.349%0.48818%0.176SC..THydrogen-bonded Turntrans59.115.4-17900000115.8Y274 E275 F280Y274-A278 PolarHBondContact O-N 2.91Å; E275-A278 PolarHBondContact O-N 3.15Å; E275-A278 VanDerWaalsContact O-N 3.15Å; A278-F280 HydrophobicContact CB-CE2 3.89Å; A278-F280 HydrophobicContact CB-CZ 3.83Å; A278-F280 WeakPolarHBondContact O-CD2 3.46Å; A278-F280 WeakPolarHBondContact O-CE2 3.3Å; A278-F280 PolarHBondContact O-N 2.75Å
279Q86.7Confident89.6Confident12 Ų1236.2 Ų36.26%0.05617%0.174CC..  trans-84.965.7177-76.5178.3-111.100110.7Y274 H277 R281 D282 A283 L329Y274-Q279 HydrophobicContact CD1-CB 3.92Å; Y274-Q279 HydrophobicContact CG-CB 4.49Å; Y274-Q279 PolarHBondContact O-N 3.27Å; H277-Q279 PolarHBondContact O-N 3.33Å; H277-Q279 VanDerWaalsContact O-N 3.14Å; Q279-R281 VanDerWaalsContact C-N 3.26Å; Q279-R281 PolarHBondContact O-N 3.02Å; Q279-D282 HydrophobicContact CB-CB 4.12Å; Q279-D282 PolarHBondContact NE2-OD2 3.09Å; Q279-D282 VanDerWaalsContact NE2-OD2 3.11Å; Q279-D282 WeakPolarHBondContact O-CB 3.2Å; Q279-D282 PolarHBondContact O-N 3.23Å; Q279-A283 PolarHBondContact O-N 3.42Å; Q279-L329 PolarHBondContact NE2-O 3.07Å; Q279-L329 PolarHBondContact OE1-O 2.79Å
280F86.6Confident89.3Confident39 Ų3934.7 Ų34.717%0.17117%0.167CC..Hα-helixtrans-64.8-26.6-170.9-52.8-61.2000113.8E275 A278 L284 F308 M318 M319E275-F280 HydrophobicContact CG-CD1 4.43Å; E275-F280 HydrophobicContact CG-CE1 4.3Å; A278-F280 HydrophobicContact CB-CE2 3.89Å; A278-F280 HydrophobicContact CB-CZ 3.83Å; A278-F280 WeakPolarHBondContact O-CD2 3.46Å; A278-F280 WeakPolarHBondContact O-CE2 3.3Å; A278-F280 PolarHBondContact O-N 2.75Å; F280-L284 WeakPolarHBondContact O-CB 3.3Å; F280-L284 PolarHBondContact O-N 3.1Å; F280-F308 HydrophobicContact CB-CD1 4.23Å; F280-F308 HydrophobicContact CB-CE1 3.97Å; F280-F308 AromaticContact CD1-CE1 3.5Å; F280-F308 HydrophobicContact CD1-CE1 3.5Å; F280-F308 VanDerWaalsContact CD1-CE1 3.5Å; F280-F308 AromaticContact CD1-CZ 3.93Å; F280-F308 HydrophobicContact CD1-CZ 3.93Å; F280-F308 HydrophobicContact CE1-CE1 4.28Å; F280-F308 AromaticContact CG-CE1 3.96Å; F280-F308 HydrophobicContact CG-CE1 3.96Å; F280-M318 HydrophobicContact CD2-CE 4.05Å; F280-M318 HydrophobicContact CE2-CE 3.59Å; F280-M318 HydrophobicContact CZ-CE 4.11Å; F280-M319 HydrophobicContact CB-CE 3.58Å; F280-M319 HydrophobicContact CB-CG 4.08Å; F280-M319 HydrophobicContact CB-SD 3.61Å
281R85.3Confident88.9Confident117 Ų11736.2 Ų36.244%0.44218%0.177SC..Hα-helixtrans-65.6-47.3174.3-179.5-176.7173.6-121.6-15.6111.1Q279 L284 E285 M319 E333Q279-R281 VanDerWaalsContact C-N 3.26Å; Q279-R281 PolarHBondContact O-N 3.02Å; R281-L284 PolarHBondContact O-N 2.91Å; R281-E285 PolarHBondContact O-N 3.18Å; R281-M319 HydrophobicContact CB-SD 4.12Å; R281-M319 PolarHBondContact N-SD 3.45Å; R281-E333 IonicContact CZ-OE1 2.69Å; R281-E333 IonicContact NH1-OE1 3.4Å; R281-E333 PolarHBondContact NH1-OE1 2.9Å; R281-E333 IonicContact NH2-OE1 2.8Å; R281-E333 PolarHBondContact NH2-OE1 2.73Å
282D88.1Confident88.4Confident7 Ų741.9 Ų41.94%0.03720%0.201CC..Hα-helixtrans-64.9-46178.1-67.1-69.8000110.7Y274 Q279 L284 E285 C286 N321 G331 V332Y274-D282 HydrophobicContact CD1-CB 3.57Å; Y274-D282 HydrophobicContact CD2-CB 3.94Å; Y274-D282 HydrophobicContact CE1-CB 3.86Å; Y274-D282 HydrophobicContact CE2-CB 4.2Å; Y274-D282 HydrophobicContact CG-CB 3.61Å; Q279-D282 HydrophobicContact CB-CB 4.12Å; Q279-D282 PolarHBondContact NE2-OD2 3.09Å; Q279-D282 VanDerWaalsContact NE2-OD2 3.11Å; Q279-D282 WeakPolarHBondContact O-CB 3.2Å; Q279-D282 PolarHBondContact O-N 3.23Å; D282-L284 VanDerWaalsContact C-N 3.34Å; D282-L284 PolarHBondContact O-N 3.09Å; D282-E285 PolarHBondContact O-N 3.29Å; D282-C286 PolarHBondContact O-N 3.06Å; D282-C286 VanDerWaalsContact O-N 3.15Å; D282-N321 PolarHBondContact OD2-ND2 3.26Å; D282-G331 WeakPolarHBondContact OD1-CA 3.43Å; D282-V332 HydrophobicContact CB-CG2 3.81Å; D282-V332 WeakPolarHBondContact O-CG2 3.41Å; D282-V332 PolarHBondContact OD1-N 3.05Å
283A90.1Very high87.1Confident0 Ų044.3 Ų44.30%021%0.211CC..Hα-helixtrans-56.6-44.2175.800000112.9G271 E275 Q279 E285 C286 Y287G271-A283 WeakPolarHBondContact O-CB 3.33Å; E275-A283 HydrophobicContact CB-CB 4.25Å; Q279-A283 PolarHBondContact O-N 3.42Å; A283-E285 PolarHBondContact O-N 3.43Å; A283-C286 WeakPolarHBondContact O-CB 3.16Å; A283-C286 PolarHBondContact O-N 3Å; A283-Y287 HydrophobicContact CB-CE2 4.11Å; A283-Y287 WeakPolarHBondContact O-CD2 3.37Å; A283-Y287 PolarHBondContact O-N 3.39Å
284L89.3Confident85.7Confident10 Ų1049.1 Ų49.15%0.05223%0.232CC..Hα-helixtrans-62.2-41.5-179.3178.559.1000112.9F280 R281 D282 Y287 R288 I305 F308 E309F280-L284 WeakPolarHBondContact O-CB 3.3Å; F280-L284 PolarHBondContact O-N 3.1Å; R281-L284 PolarHBondContact O-N 2.91Å; D282-L284 VanDerWaalsContact C-N 3.34Å; D282-L284 PolarHBondContact O-N 3.09Å; L284-Y287 PolarHBondContact O-N 3.41Å; L284-R288 WeakPolarHBondContact O-CG 3.17Å; L284-R288 PolarHBondContact O-N 3.07Å; L284-I305 HydrophobicContact CD1-CB 4.48Å; L284-I305 HydrophobicContact CD1-CG1 4.42Å; L284-I305 HydrophobicContact CD1-CG2 4.1Å; L284-F308 HydrophobicContact CD1-CB 4.03Å; L284-E309 HydrophobicContact CD1-CG 4.32Å; L284-E309 HydrophobicContact CD2-CG 4.32Å
285E89Confident84Confident60 Ų6055.8 Ų55.828%0.2828%0.278SS..Hα-helixtrans-73-32.8178-16755.7-150.400112R281 D282 A283 R288 N289 K292R281-E285 PolarHBondContact O-N 3.18Å; D282-E285 PolarHBondContact O-N 3.29Å; A283-E285 PolarHBondContact O-N 3.43Å; E285-R288 PolarHBondContact O-N 2.92Å; E285-R288 VanDerWaalsContact OE2-CD 3.25Å; E285-R288 WeakPolarHBondContact OE2-CD 3.49Å; E285-R288 IonicContact OE2-NH1 2.69Å; E285-R288 PolarHBondContact OE2-NH1 2.92Å; E285-N289 WeakPolarHBondContact O-CB 3.41Å; E285-N289 PolarHBondContact O-N 2.97Å; E285-N289 PolarHBondContact O-ND2 3.15Å; E285-N289 VanDerWaalsContact O-ND2 3.13Å; E285-K292 IonicContact OE1-NZ 2.68Å; E285-K292 PolarHBondContact OE1-NZ 3.17Å
286C89.6Confident82.4Confident0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-60.1-48.7169.4-75.20000112.4W267 L270 D282 A283 R288 N289 S290 V332W267-C286 HydrophobicContact CE3-CB 4.3Å; W267-C286 WeakPolarHBondContact O-CB 3.2Å; L270-C286 VanDerWaalsContact CD2-SG 3.53Å; D282-C286 PolarHBondContact O-N 3.06Å; D282-C286 VanDerWaalsContact O-N 3.15Å; A283-C286 WeakPolarHBondContact O-CB 3.16Å; A283-C286 PolarHBondContact O-N 3Å; C286-R288 VanDerWaalsContact C-N 3.33Å; C286-R288 PolarHBondContact O-N 3.23Å; C286-N289 PolarHBondContact O-N 2.97Å; C286-S290 PolarHBondContact O-N 3.03Å; C286-V332 WeakPolarHBondContact SG-CG2 3.37Å
287Y91Very high81.1Confident2 Ų253.8 Ų53.81%0.00829%0.285CS..Hα-helixtrans-60.7-42175.8-63.4-47.6000111.7L272 E275 A283 L284 N289 S290 I301 R304 F308L272-Y287 WeakPolarHBondContact CD2-OH 3.43Å; L272-Y287 HydrophobicContact CG-CE1 4.45Å; L272-Y287 PolarHBondContact N-OH 3.29Å; E275-Y287 PolarHBondContact OE2-OH 2.84Å; A283-Y287 HydrophobicContact CB-CE2 4.11Å; A283-Y287 WeakPolarHBondContact O-CD2 3.37Å; A283-Y287 PolarHBondContact O-N 3.39Å; L284-Y287 PolarHBondContact O-N 3.41Å; Y287-N289 PolarHBondContact O-N 2.85Å; Y287-S290 WeakPolarHBondContact O-CB 3.49Å; Y287-S290 PolarHBondContact O-N 3.32Å; Y287-S290 PolarHBondContact O-OG 3.34Å; Y287-I301 HydrophobicContact CD1-CD1 4.5Å; Y287-I301 HydrophobicContact CD1-CG2 4.3Å; Y287-R304 HydrophobicContact CD2-CG 4.36Å; Y287-R304 HydrophobicContact CE2-CG 3.93Å; Y287-F308 HydrophobicContact CD2-CD2 4.4Å; Y287-F308 HydrophobicContact CD2-CE2 4.42Å; Y287-F308 HydrophobicContact CE2-CD2 4.24Å; Y287-F308 AromaticContact CE2-CE2 3.82Å; Y287-F308 HydrophobicContact CE2-CE2 3.82Å
288R89.4Confident80.3Confident91 Ų9154.9 Ų54.934%0.34329%0.293SS..Hα-helixtrans-60.7-43.3173.6-74.1168.3173168.6-0.4112.7L284 E285 C286 S290 C291 K292 E309L284-R288 WeakPolarHBondContact O-CG 3.17Å; L284-R288 PolarHBondContact O-N 3.07Å; E285-R288 PolarHBondContact O-N 2.92Å; E285-R288 VanDerWaalsContact OE2-CD 3.25Å; E285-R288 WeakPolarHBondContact OE2-CD 3.49Å; E285-R288 IonicContact OE2-NH1 2.69Å; E285-R288 PolarHBondContact OE2-NH1 2.92Å; C286-R288 VanDerWaalsContact C-N 3.33Å; C286-R288 PolarHBondContact O-N 3.23Å; R288-S290 VanDerWaalsContact C-N 3.3Å; R288-S290 PolarHBondContact O-N 3.46Å; R288-C291 PolarHBondContact O-N 2.85Å; R288-C291 VanDerWaalsContact O-N 3.15Å; R288-K292 PolarHBondContact O-N 2.92Å; R288-E309 IonicContact CZ-OE1 2.69Å; R288-E309 IonicContact NE-OE1 3.35Å; R288-E309 PolarHBondContact NE-OE1 3.44Å; R288-E309 IonicContact NH2-OE1 3.06Å; R288-E309 PolarHBondContact NH2-OE1 3.15Å
289N87.3Confident80Confident24 Ų2455 Ų5513%0.12829%0.294CS..Hα-helixtrans-59.1-40.5175.5-78.1-39.7000111.9W267 E285 C286 Y287 C291 K292W267-N289 HydrophobicContact CD2-CB 3.44Å; W267-N289 VanDerWaalsContact CD2-CB 3.44Å; W267-N289 HydrophobicContact CE3-CB 3.54Å; W267-N289 HydrophobicContact CG-CB 3.96Å; W267-N289 HydrophobicContact CH2-CB 4.04Å; W267-N289 WeakPolarHBondContact CH2-ND2 3.5Å; W267-N289 HydrophobicContact CZ2-CB 3.95Å; W267-N289 HydrophobicContact CZ3-CB 3.85Å; W267-N289 WeakPolarHBondContact CZ3-ND2 3.39Å; E285-N289 WeakPolarHBondContact O-CB 3.41Å; E285-N289 PolarHBondContact O-N 2.97Å; E285-N289 PolarHBondContact O-ND2 3.15Å; E285-N289 VanDerWaalsContact O-ND2 3.13Å; C286-N289 PolarHBondContact O-N 2.97Å; Y287-N289 PolarHBondContact O-N 2.85Å; N289-C291 PolarHBondContact O-N 3.27Å; N289-C291 VanDerWaalsContact O-N 3.1Å; N289-K292 PolarHBondContact O-N 3.27Å; N289-K292 WeakPolarHBondContact OD1-CD 3.44Å; N289-K292 VanDerWaalsContact OD1-CE 3.3Å; N289-K292 WeakPolarHBondContact OD1-CE 3.49Å; N289-K292 PolarHBondContact OD1-NZ 2.8Å
290S86.3Confident79.9Confident7 Ų757.6 Ų57.65%0.04931%0.313CS..Hα-helixtrans-57.2-27.917786.10000113.7S264 C286 Y287 R288S264-S290 WeakPolarHBondContact CB-O 3.21Å; C286-S290 PolarHBondContact O-N 3.03Å; Y287-S290 WeakPolarHBondContact O-CB 3.49Å; Y287-S290 PolarHBondContact O-N 3.32Å; Y287-S290 PolarHBondContact O-OG 3.34Å; R288-S290 VanDerWaalsContact C-N 3.3Å; R288-S290 PolarHBondContact O-N 3.46Å
291C84.8Confident79.8Confident32 Ų3256.8 Ų56.822%0.21631%0.31CS..Hα-helixtrans-88.6-18.7178.8-60.20000114.1R288 N289 H293 A297R288-C291 PolarHBondContact O-N 2.85Å; R288-C291 VanDerWaalsContact O-N 3.15Å; N289-C291 PolarHBondContact O-N 3.27Å; N289-C291 VanDerWaalsContact O-N 3.1Å; C291-H293 PolarHBondContact O-N 2.87Å; C291-A297 HydrophobicContact CB-CB 4.4Å
292K80Confident79.8Confident118 Ų11854.8 Ų54.851%0.51331%0.308SS..Hα-helixtrans-63.6-23.8-173.9-72.5175.1-167169.70114E285 R288 N289E285-K292 IonicContact OE1-NZ 2.68Å; E285-K292 PolarHBondContact OE1-NZ 3.17Å; R288-K292 PolarHBondContact O-N 2.92Å; N289-K292 PolarHBondContact O-N 3.27Å; N289-K292 WeakPolarHBondContact OD1-CD 3.44Å; N289-K292 VanDerWaalsContact OD1-CE 3.3Å; N289-K292 WeakPolarHBondContact OD1-CE 3.49Å; N289-K292 PolarHBondContact OD1-NZ 2.8Å
293H65.7Low79.7Confident120 Ų12060.9 Ų60.956%0.55634%0.336SS*.THydrogen-bonded Turntrans-114.5-4-173.4-63.6-74.8000115.1C291C291-H293 PolarHBondContact O-N 2.87Å
294K63.9Low79.5Confident103 Ų10364.4 Ų64.445%0.44835%0.35SS..  trans-99.2133.3-179.4-93.6177.7161.6173.80111.7S264 S296S264-K294 WeakPolarHBondContact OG-CE 3.43Å; S264-K294 PolarHBondContact OG-NZ 2.87Å; K294-S296 VanDerWaalsContact C-N 3.25Å; K294-S296 PolarHBondContact O-N 2.82Å
295S54.6Low79.5Confident139 Ų13964.9 Ų64.997%0.97235%0.352SS*.SBendtrans-73.6-16.3169.952.60000113.7
296S57.2Low79.4Confident93 Ų9368.8 Ų68.865%0.6537%0.37SS*.SBendtrans-136.7108171.2-171.90000108K294K294-S296 VanDerWaalsContact C-N 3.25Å; K294-S296 PolarHBondContact O-N 2.82Å
297A62.3Low79.3Confident33 Ų3373 Ų7327%0.27339%0.389SS..  trans-75.6151.6172.400000110.1C291 L302C291-A297 HydrophobicContact CB-CB 4.4Å; A297-L302 HydrophobicContact CB-CD1 4.11Å; A297-L302 HydrophobicContact CB-CD2 4.02Å; A297-L302 HydrophobicContact CB-CG 4.07Å
298D73.1Confident79.1Confident87 Ų8773.3 Ų73.347%0.46539%0.39SS..  trans-74.8129.2176.8-164.7-55.6000109.8S300 I301 L302D298-S300 PolarHBondContact O-N 3.35Å; D298-S300 WeakPolarHBondContact OD1-CB 3.31Å; D298-S300 PolarHBondContact OD1-N 3.1Å; D298-S300 PolarHBondContact OD1-OG 3.45Å; D298-I301 HydrophobicContact CB-CB 4.38Å; D298-I301 HydrophobicContact CB-CG1 4.02Å; D298-I301 PolarHBondContact O-N 3.2Å; D298-I301 VanDerWaalsContact O-N 3.07Å; D298-L302 PolarHBondContact O-N 2.97Å; D298-L302 VanDerWaalsContact O-N 3.07Å
299A80Confident78.9Confident62 Ų6271.9 Ų71.951%0.51239%0.387SS..Hα-helixtrans-57.7-37-178.100000112.1I301 L302 E303A299-I301 VanDerWaalsContact C-N 3.29Å; A299-I301 PolarHBondContact O-N 2.91Å; A299-L302 PolarHBondContact O-N 3.18Å; A299-E303 WeakPolarHBondContact O-CG 3.43Å; A299-E303 PolarHBondContact O-N 3.41Å
300S84.2Confident78.7Confident65 Ų6573.3 Ų73.346%0.45540%0.402SS..Hα-helixtrans-64.3-32.4178.364.10000113.1D298 R304D298-S300 PolarHBondContact O-N 3.35Å; D298-S300 WeakPolarHBondContact OD1-CB 3.31Å; D298-S300 PolarHBondContact OD1-N 3.1Å; D298-S300 PolarHBondContact OD1-OG 3.45Å; S300-R304 PolarHBondContact O-N 3.32Å; S300-R304 VanDerWaalsContact O-N 3.09Å
301I84.9Confident78.5Confident22 Ų2276.7 Ų76.711%0.11342%0.417CS..Hα-helixtrans-79.7-34.3177.2-57.4-59.8000110.8V268 Y287 D298 A299 R304 I305V268-I301 HydrophobicContact CG1-CD1 3.76Å; V268-I301 HydrophobicContact CG2-CD1 3.91Å; V268-I301 HydrophobicContact CG2-CG1 4.07Å; Y287-I301 HydrophobicContact CD1-CD1 4.5Å; Y287-I301 HydrophobicContact CD1-CG2 4.3Å; D298-I301 HydrophobicContact CB-CB 4.38Å; D298-I301 HydrophobicContact CB-CG1 4.02Å; D298-I301 PolarHBondContact O-N 3.2Å; D298-I301 VanDerWaalsContact O-N 3.07Å; A299-I301 VanDerWaalsContact C-N 3.29Å; A299-I301 PolarHBondContact O-N 2.91Å; I301-R304 PolarHBondContact O-N 2.72Å; I301-I305 HydrophobicContact CG2-CD1 4.16Å; I301-I305 VanDerWaalsContact O-CG1 3.29Å; I301-I305 WeakPolarHBondContact O-CG1 3.42Å; I301-I305 PolarHBondContact O-N 2.84Å
302L84.7Confident77.9Confident76 Ų7680.4 Ų80.440%0.39843%0.427SS..Hα-helixtrans-63.3-46.9171.3-65.6176.4000111.2A297 D298 A299 R304 I305 E306A297-L302 HydrophobicContact CB-CD1 4.11Å; A297-L302 HydrophobicContact CB-CD2 4.02Å; A297-L302 HydrophobicContact CB-CG 4.07Å; D298-L302 PolarHBondContact O-N 2.97Å; D298-L302 VanDerWaalsContact O-N 3.07Å; A299-L302 PolarHBondContact O-N 3.18Å; L302-R304 VanDerWaalsContact C-N 3.28Å; L302-R304 PolarHBondContact O-N 2.76Å; L302-I305 PolarHBondContact O-N 2.87Å; L302-I305 VanDerWaalsContact O-N 3.15Å; L302-E306 PolarHBondContact O-N 3.01Å
303E85.9Confident77.8Confident135 Ų13582.1 Ų82.163%0.63143%0.434SS*.Hα-helixtrans-58-38.8173-72.7174.2-165.100112A299 F307A299-E303 WeakPolarHBondContact O-CG 3.43Å; A299-E303 PolarHBondContact O-N 3.41Å; E303-F307 VanDerWaalsContact O-CB 3.28Å; E303-F307 WeakPolarHBondContact O-CB 3.3Å; E303-F307 PolarHBondContact O-N 2.79Å
304R87.4Confident78.1Confident74 Ų7480.6 Ų80.628%0.27944%0.437SS..Hα-helixtrans-65.4-42175-157.981.6-166121.9-10.4112.2E275 Y287 S300 I301 L302 F307 F308E275-R304 VanDerWaalsContact CD-NH2 3.32Å; E275-R304 IonicContact OE1-CZ 2.72Å; E275-R304 IonicContact OE1-NE 3.69Å; E275-R304 PolarHBondContact OE1-NE 3.1Å; E275-R304 IonicContact OE1-NH2 2.62Å; E275-R304 PolarHBondContact OE1-NH2 2.96Å; E275-R304 IonicContact OE2-CZ 3.77Å; E275-R304 IonicContact OE2-NE 3.37Å; E275-R304 PolarHBondContact OE2-NE 3.12Å; E275-R304 IonicContact OE2-NH2 2.72Å; Y287-R304 HydrophobicContact CD2-CG 4.36Å; Y287-R304 HydrophobicContact CE2-CG 3.93Å; S300-R304 PolarHBondContact O-N 3.32Å; S300-R304 VanDerWaalsContact O-N 3.09Å; I301-R304 PolarHBondContact O-N 2.72Å; L302-R304 VanDerWaalsContact C-N 3.28Å; L302-R304 PolarHBondContact O-N 2.76Å; R304-F307 PolarHBondContact O-N 2.98Å; R304-F308 HydrophobicContact CG-CD2 4.07Å; R304-F308 HydrophobicContact CG-CE2 3.8Å; R304-F308 WeakPolarHBondContact O-CD2 3.35Å; R304-F308 PolarHBondContact O-N 2.72Å; R304-F308 VanDerWaalsContact O-N 3.08Å
305I87.9Confident78.3Confident20 Ų2079.7 Ų79.710%0.10344%0.437CS..Hα-helixtrans-63.6-48.7175.9-70.4164000110.3L284 I301 L302 F307 F308 E309L284-I305 HydrophobicContact CD1-CB 4.48Å; L284-I305 HydrophobicContact CD1-CG1 4.42Å; L284-I305 HydrophobicContact CD1-CG2 4.1Å; I301-I305 HydrophobicContact CG2-CD1 4.16Å; I301-I305 VanDerWaalsContact O-CG1 3.29Å; I301-I305 WeakPolarHBondContact O-CG1 3.42Å; I301-I305 PolarHBondContact O-N 2.84Å; L302-I305 PolarHBondContact O-N 2.87Å; L302-I305 VanDerWaalsContact O-N 3.15Å; I305-F307 VanDerWaalsContact C-N 3.33Å; I305-F307 PolarHBondContact O-N 2.76Å; I305-F308 PolarHBondContact O-N 3.2Å; I305-E309 HydrophobicContact CG2-CG 4.44Å; I305-E309 WeakPolarHBondContact O-CG 3.41Å; I305-E309 PolarHBondContact O-N 3.36Å
306E87.1Confident78.9Confident141 Ų14176.9 Ų76.966%0.65942%0.416SS*.Hα-helixtrans-59.9-41.9177.4-72.4-173.8-175.900112L302 F308 E309 A310L302-E306 PolarHBondContact O-N 3.01Å; E306-F308 PolarHBondContact O-N 2.88Å; E306-E309 PolarHBondContact O-N 2.99Å; E306-A310 VanDerWaalsContact O-CB 3.3Å; E306-A310 WeakPolarHBondContact O-CB 3.16Å; E306-A310 PolarHBondContact O-N 3.19Å
307F88.6Confident79.2Confident90 Ų9081 Ų8140%0.39542%0.422SS..Hα-helixtrans-57-48.5173.9175.7-86000111.9E303 R304 I305 A310 H311E303-F307 VanDerWaalsContact O-CB 3.28Å; E303-F307 WeakPolarHBondContact O-CB 3.3Å; E303-F307 PolarHBondContact O-N 2.79Å; R304-F307 PolarHBondContact O-N 2.98Å; I305-F307 VanDerWaalsContact C-N 3.33Å; I305-F307 PolarHBondContact O-N 2.76Å; F307-A310 PolarHBondContact O-N 3.36Å; F307-H311 AromaticContact CD1-ND1 3.94Å; F307-H311 AromaticContact CD2-CE1 3.68Å; F307-H311 AromaticContact CD2-ND1 3.91Å; F307-H311 AromaticContact CE1-ND1 3.82Å; F307-H311 AromaticContact CE2-CE1 3.27Å; F307-H311 WeakPolarHBondContact CE2-CE1 3.47Å; F307-H311 AromaticContact CE2-ND1 3.8Å; F307-H311 AromaticContact CG-ND1 3.97Å; F307-H311 AromaticContact CZ-CE1 3.44Å; F307-H311 VanDerWaalsContact CZ-CE1 3.44Å; F307-H311 WeakPolarHBondContact CZ-CE1 3.2Å; F307-H311 AromaticContact CZ-ND1 3.74Å; F307-H311 AromaticContact CZ-NE2 3.98Å; F307-H311 PolarHBondContact O-N 3.43Å; F307-H311 PolarHBondContact O-ND1 2.86Å
308F85.3Confident78.9Confident7 Ų784.2 Ų84.23%0.03143%0.432CS..Hα-helixtrans-68.8-38.4179.3-81.4-60.1000112.9E275 F280 L284 Y287 R304 I305 E306 H311 W312 M319E275-F308 HydrophobicContact CG-CZ 3.99Å; E275-F308 WeakPolarHBondContact OE2-CE2 3.37Å; E275-F308 WeakPolarHBondContact OE2-CZ 3.31Å; F280-F308 HydrophobicContact CB-CD1 4.23Å; F280-F308 HydrophobicContact CB-CE1 3.97Å; F280-F308 AromaticContact CD1-CE1 3.5Å; F280-F308 HydrophobicContact CD1-CE1 3.5Å; F280-F308 VanDerWaalsContact CD1-CE1 3.5Å; F280-F308 AromaticContact CD1-CZ 3.93Å; F280-F308 HydrophobicContact CD1-CZ 3.93Å; F280-F308 HydrophobicContact CE1-CE1 4.28Å; F280-F308 AromaticContact CG-CE1 3.96Å; F280-F308 HydrophobicContact CG-CE1 3.96Å; L284-F308 HydrophobicContact CD1-CB 4.03Å; Y287-F308 HydrophobicContact CD2-CD2 4.4Å; Y287-F308 HydrophobicContact CD2-CE2 4.42Å; Y287-F308 HydrophobicContact CE2-CD2 4.24Å; Y287-F308 AromaticContact CE2-CE2 3.82Å; Y287-F308 HydrophobicContact CE2-CE2 3.82Å; R304-F308 HydrophobicContact CG-CD2 4.07Å; R304-F308 HydrophobicContact CG-CE2 3.8Å; R304-F308 WeakPolarHBondContact O-CD2 3.35Å; R304-F308 PolarHBondContact O-N 2.72Å; R304-F308 VanDerWaalsContact O-N 3.08Å; I305-F308 PolarHBondContact O-N 3.2Å; E306-F308 PolarHBondContact O-N 2.88Å; F308-H311 PolarHBondContact O-N 2.96Å; F308-W312 WeakPolarHBondContact O-CB 3.47Å; F308-W312 PolarHBondContact O-N 2.79Å; F308-M319 HydrophobicContact CB-CE 4.35Å; F308-M319 HydrophobicContact CD1-CE 3.87Å; F308-M319 HydrophobicContact CG-CE 4.5Å
309E85.4Confident78Confident61 Ų6180.8 Ų80.829%0.28541%0.414SS..Hα-helixtrans-69.5-31.3176.3-70.6-164.4-177.700113.2L284 R288 I305 E306 K313L284-E309 HydrophobicContact CD1-CG 4.32Å; L284-E309 HydrophobicContact CD2-CG 4.32Å; R288-E309 IonicContact CZ-OE1 2.69Å; R288-E309 IonicContact NE-OE1 3.35Å; R288-E309 PolarHBondContact NE-OE1 3.44Å; R288-E309 IonicContact NH2-OE1 3.06Å; R288-E309 PolarHBondContact NH2-OE1 3.15Å; I305-E309 HydrophobicContact CG2-CG 4.44Å; I305-E309 WeakPolarHBondContact O-CG 3.41Å; I305-E309 PolarHBondContact O-N 3.36Å; E306-E309 PolarHBondContact O-N 2.99Å; E309-K313 VanDerWaalsContact O-CD 3.28Å; E309-K313 WeakPolarHBondContact O-CD 3.45Å; E309-K313 VanDerWaalsContact O-CG 3.26Å; E309-K313 WeakPolarHBondContact O-CG 3.42Å; E309-K313 PolarHBondContact O-N 2.72Å
310A83.9Confident76.6Confident54 Ų5482.7 Ų82.745%0.44642%0.415SS..Hα-helixtrans-68.5-43.917200000111.7E306 F307 K313 S314E306-A310 VanDerWaalsContact O-CB 3.3Å; E306-A310 WeakPolarHBondContact O-CB 3.16Å; E306-A310 PolarHBondContact O-N 3.19Å; F307-A310 PolarHBondContact O-N 3.36Å; A310-K313 PolarHBondContact O-N 3.2Å; A310-S314 PolarHBondContact O-N 3.33Å; A310-S314 VanDerWaalsContact O-N 3.16Å; A310-S314 PolarHBondContact O-OG 2.99Å
311H80.8Confident75.2Confident79 Ų7982.9 Ų82.937%0.36641%0.411SS..Hα-helixtrans-69.9-33.9178-75.180.9000113F307 F308 K313 S314 N315F307-H311 AromaticContact CD1-ND1 3.94Å; F307-H311 AromaticContact CD2-CE1 3.68Å; F307-H311 AromaticContact CD2-ND1 3.91Å; F307-H311 AromaticContact CE1-ND1 3.82Å; F307-H311 AromaticContact CE2-CE1 3.27Å; F307-H311 WeakPolarHBondContact CE2-CE1 3.47Å; F307-H311 AromaticContact CE2-ND1 3.8Å; F307-H311 AromaticContact CG-ND1 3.97Å; F307-H311 AromaticContact CZ-CE1 3.44Å; F307-H311 VanDerWaalsContact CZ-CE1 3.44Å; F307-H311 WeakPolarHBondContact CZ-CE1 3.2Å; F307-H311 AromaticContact CZ-ND1 3.74Å; F307-H311 AromaticContact CZ-NE2 3.98Å; F307-H311 PolarHBondContact O-N 3.43Å; F307-H311 PolarHBondContact O-ND1 2.86Å; F308-H311 PolarHBondContact O-N 2.96Å; H311-K313 VanDerWaalsContact C-N 3.32Å; H311-K313 PolarHBondContact O-N 2.83Å; H311-S314 PolarHBondContact O-N 3.04Å; H311-S314 PolarHBondContact O-OG 2.85Å; H311-N315 PolarHBondContact O-N 3.31Å
312W73.4Confident73.3Confident110 Ų11086.3 Ų86.342%0.41744%0.437SS..Hα-helixtrans-57-46.6169.9179.5-76.4000111.5F308 S314 M319F308-W312 WeakPolarHBondContact O-CB 3.47Å; F308-W312 PolarHBondContact O-N 2.79Å; W312-S314 VanDerWaalsContact C-N 3.34Å; W312-S314 PolarHBondContact O-N 3.32Å; W312-M319 HydrophobicContact CE3-CB 3.76Å; W312-M319 HydrophobicContact CE3-CE 4.15Å; W312-M319 HydrophobicContact CE3-CG 3.76Å; W312-M319 HydrophobicContact CE3-SD 3.47Å; W312-M319 HydrophobicContact CH2-CB 4.3Å; W312-M319 HydrophobicContact CZ3-CB 3.4Å; W312-M319 HydrophobicContact CZ3-CG 3.92Å; W312-M319 HydrophobicContact CZ3-SD 3.74Å
313K76.4Confident71.4Confident154 Ų15490.2 Ų90.267%0.6745%0.454SS*.Hα-helixtrans-67.7-31.3-178.2-70.6162.5-169.5156.90112.7E309 A310 H311E309-K313 VanDerWaalsContact O-CD 3.28Å; E309-K313 WeakPolarHBondContact O-CD 3.45Å; E309-K313 VanDerWaalsContact O-CG 3.26Å; E309-K313 WeakPolarHBondContact O-CG 3.42Å; E309-K313 PolarHBondContact O-N 2.72Å; A310-K313 PolarHBondContact O-N 3.2Å; H311-K313 VanDerWaalsContact C-N 3.32Å; H311-K313 PolarHBondContact O-N 2.83Å
314S74Confident69.5Low88 Ų8889.6 Ų89.662%0.61546%0.459SS*.Hα-helixtrans-88.3-29.1-179.164.80000114.1A310 H311 W312A310-S314 PolarHBondContact O-N 3.33Å; A310-S314 VanDerWaalsContact O-N 3.16Å; A310-S314 PolarHBondContact O-OG 2.99Å; H311-S314 PolarHBondContact O-N 3.04Å; H311-S314 PolarHBondContact O-OG 2.85Å; W312-S314 VanDerWaalsContact C-N 3.34Å; W312-S314 PolarHBondContact O-N 3.32Å
315N67.2Low67.7Low84 Ų8491.9 Ų91.945%0.44947%0.472SS..  trans-145.475-177.9-161-0.2000113.5H311 K317 M318H311-N315 PolarHBondContact O-N 3.31Å; N315-K317 PolarHBondContact O-N 2.84Å; N315-M318 WeakPolarHBondContact O-CB 3.3Å; N315-M318 PolarHBondContact O-N 2.97Å
316P66.7Low65.8Low80 Ų8096.4 Ų96.452%0.51951%0.513SS..G310 helixtrans-57.1-25.8-174.2-27.235.2000115.3M318P316-M318 PolarHBondContact O-N 2.83Å
317K63.2Low64.4Low180 Ų18093.9 Ų93.978%0.78351%0.51SS*.G310 helixtrans-67.3-16.8178.5-66.1-174.3176.3-175.30113.8N315 M319N315-K317 PolarHBondContact O-N 2.84Å; K317-M319 VanDerWaalsContact C-N 3.28Å; K317-M319 PolarHBondContact O-N 2.74Å
318M56.6Low63.5Low100 Ų10092 Ų9249%0.49351%0.508SS..G310 helixtrans-77.2-10.9-177.2-171.6173.5164.300113.6F280 N315 P316F280-M318 HydrophobicContact CD2-CE 4.05Å; F280-M318 HydrophobicContact CE2-CE 3.59Å; F280-M318 HydrophobicContact CZ-CE 4.11Å; N315-M318 WeakPolarHBondContact O-CB 3.3Å; N315-M318 PolarHBondContact O-N 2.97Å; P316-M318 PolarHBondContact O-N 2.83Å
319M53.6Low63.3Low14 Ų1491.9 Ų91.97%0.06951%0.508CS..G310 helixtrans-119.417.3177-62.2-141.7-163.200113.5F280 R281 F308 W312 K317 N321F280-M319 HydrophobicContact CB-CE 3.58Å; F280-M319 HydrophobicContact CB-CG 4.08Å; F280-M319 HydrophobicContact CB-SD 3.61Å; R281-M319 HydrophobicContact CB-SD 4.12Å; R281-M319 PolarHBondContact N-SD 3.45Å; F308-M319 HydrophobicContact CB-CE 4.35Å; F308-M319 HydrophobicContact CD1-CE 3.87Å; F308-M319 HydrophobicContact CG-CE 4.5Å; W312-M319 HydrophobicContact CE3-CB 3.76Å; W312-M319 HydrophobicContact CE3-CE 4.15Å; W312-M319 HydrophobicContact CE3-CG 3.76Å; W312-M319 HydrophobicContact CE3-SD 3.47Å; W312-M319 HydrophobicContact CH2-CB 4.3Å; W312-M319 HydrophobicContact CZ3-CB 3.4Å; W312-M319 HydrophobicContact CZ3-CG 3.92Å; W312-M319 HydrophobicContact CZ3-SD 3.74Å; K317-M319 VanDerWaalsContact C-N 3.28Å; K317-M319 PolarHBondContact O-N 2.74Å; M319-N321 PolarHBondContact O-N 2.91Å
320D51.9Low63.2Low103 Ų10390.9 Ų90.955%0.55151%0.507SS*.  trans-82.497.4173.3-171.2-3.3000109.7S322D320-S322 PolarHBondContact O-N 3.24Å; D320-S322 WeakPolarHBondContact OD1-CB 3.08Å; D320-S322 PolarHBondContact OD1-N 3.43Å; D320-S322 PolarHBondContact OD1-OG 3.26Å
321N54.1Low62.9Low69 Ų6989.1 Ų89.137%0.36949%0.494SS..THydrogen-bonded Turntrans-64.87.5179.1-74.65.1000113.8D282 M319 Q323D282-N321 PolarHBondContact OD2-ND2 3.26Å; M319-N321 PolarHBondContact O-N 2.91Å; N321-Q323 PolarHBondContact O-N 2.91Å
322S45.1Very low62.7Low94 Ų9486.4 Ų86.466%0.65748%0.483SS*.THydrogen-bonded Turntrans-63.8-2.4-179.9-630000115.8D320D320-S322 PolarHBondContact O-N 3.24Å; D320-S322 WeakPolarHBondContact OD1-CB 3.08Å; D320-S322 PolarHBondContact OD1-N 3.43Å; D320-S322 PolarHBondContact OD1-OG 3.26Å
323Q44.9Very low62.6Low158 Ų15887.7 Ų87.774%0.73849%0.494SS*.SBendtrans-102.479.1166.4-68.5-168.7-8.200110.8N321 H325N321-Q323 PolarHBondContact O-N 2.91Å; Q323-H325 VanDerWaalsContact C-N 3.32Å; Q323-H325 PolarHBondContact O-CD2 2.75Å; Q323-H325 PolarHBondContact O-N 3.48Å
324V46Very low62.2Low122 Ų12284.5 Ų84.574%0.73948%0.484SS*.  trans-71.684.2177.7-173.80000110.4
325H49.8Very low61.9Low121 Ų12180.9 Ų80.956%0.5646%0.458SS*.  trans-74.3143.7166.9-70.5-74.1000110.3Q323 S327 S328Q323-H325 VanDerWaalsContact C-N 3.32Å; Q323-H325 PolarHBondContact O-CD2 2.75Å; Q323-H325 PolarHBondContact O-N 3.48Å; H325-S327 PolarHBondContact O-N 3.37Å; H325-S328 PolarHBondContact O-N 2.95Å; H325-S328 PolarHBondContact O-OG 2.94Å; H325-S328 VanDerWaalsContact O-OG 3.12Å
326A48.2Very low61.4Low116 Ų11681.9 Ų81.996%0.95947%0.471SS*.THydrogen-bonded Turntrans-63.74.7-176.900000115.8
327S57.3Low61Low87 Ų8782 Ų8261%0.60847%0.473SS*.THydrogen-bonded Turntrans-109.64.6175.7590000113.9H325H325-S327 PolarHBondContact O-N 3.37Å
328S70.2Confident60.8Low50 Ų5075.1 Ų75.135%0.3545%0.445SS..PPolyproline II helixtrans-72.9141.5175.759.80000112H325H325-S328 PolarHBondContact O-N 2.95Å; H325-S328 PolarHBondContact O-OG 2.94Å; H325-S328 VanDerWaalsContact O-OG 3.12Å
329L80.3Confident60.5Low5 Ų575.3 Ų75.33%0.02645%0.454CS..PPolyproline II helixtrans-80.6149.1172.5-65.7172.2000111.2P246 F247 L250 L273 Y274 H277 Q279 G331P246-L329 HydrophobicContact CB-CD1 4.42Å; P246-L329 HydrophobicContact CB-CD2 4.11Å; P246-L329 HydrophobicContact CG-CD2 4.44Å; F247-L329 HydrophobicContact CD1-CD2 4.03Å; F247-L329 HydrophobicContact CD2-CD2 4.19Å; F247-L329 HydrophobicContact CE1-CD2 4Å; F247-L329 HydrophobicContact CE2-CD2 4.14Å; F247-L329 HydrophobicContact CG-CD2 4.13Å; F247-L329 HydrophobicContact CZ-CD2 4.04Å; L250-L329 HydrophobicContact CD2-CB 4.32Å; L250-L329 HydrophobicContact CD2-CD2 4.36Å; L273-L329 HydrophobicContact CD1-CD1 4.46Å; L273-L329 HydrophobicContact CD2-CD1 4.17Å; L273-L329 HydrophobicContact CG-CD1 3.91Å; Y274-L329 HydrophobicContact CD1-CB 4.42Å; Y274-L329 HydrophobicContact CD1-CD1 4.49Å; Y274-L329 HydrophobicContact CE1-CB 4.04Å; H277-L329 HydrophobicContact CB-CD1 4.35Å; Q279-L329 PolarHBondContact NE2-O 3.07Å; Q279-L329 PolarHBondContact OE1-O 2.79Å; L329-G331 PolarHBondContact O-N 2.79Å
330P82.8Confident60.7Low40 Ų4077.1 Ų77.126%0.2646%0.463SS..PPolyproline II helixtrans-50.4128.6167.7-27.234.4000111.6L250 Y274 N334 L338L250-P330 HydrophobicContact CD2-CB 4.24Å; L250-P330 HydrophobicContact CD2-CG 4.1Å; Y274-P330 VanDerWaalsContact CE1-O 3.29Å; Y274-P330 WeakPolarHBondContact CE1-O 3.39Å; Y274-P330 PolarHBondContact OH-O 3.09Å; P330-N334 HydrophobicContact CB-CB 4.5Å; P330-L338 HydrophobicContact CB-CD2 4.26Å; P330-L338 HydrophobicContact CG-CD2 4.12Å
331G77.9Confident60.7Low17 Ų1774.8 Ų74.818%0.17545%0.454CS..PPolyproline II helixtrans-65.2162.9-179.600000113.5D282 L329 E333 N334D282-G331 WeakPolarHBondContact OD1-CA 3.43Å; L329-G331 PolarHBondContact O-N 2.79Å; G331-E333 PolarHBondContact O-N 3.22Å; G331-E333 VanDerWaalsContact O-N 3.12Å; G331-N334 PolarHBondContact O-N 3.21Å
332V77.3Confident60.2Low22 Ų2275.7 Ų75.713%0.13347%0.471CS..G310 helixtrans-56.4-34.8-171.6169.90000112.9Y274 D282 C286 N334 I335Y274-V332 HydrophobicContact CD2-CG2 4.13Å; Y274-V332 HydrophobicContact CE2-CG2 3.46Å; Y274-V332 VanDerWaalsContact CE2-CG2 3.46Å; Y274-V332 PolarHBondContact OH-N 3.1Å; D282-V332 HydrophobicContact CB-CG2 3.81Å; D282-V332 WeakPolarHBondContact O-CG2 3.41Å; D282-V332 PolarHBondContact OD1-N 3.05Å; C286-V332 WeakPolarHBondContact SG-CG2 3.37Å; V332-N334 PolarHBondContact O-N 2.91Å; V332-I335 HydrophobicContact CB-CD1 4.26Å; V332-I335 HydrophobicContact CG1-CD1 4.18Å; V332-I335 HydrophobicContact CG2-CD1 4.24Å; V332-I335 WeakPolarHBondContact O-CB 3.33Å; V332-I335 WeakPolarHBondContact O-CG1 3.3Å; V332-I335 PolarHBondContact O-N 2.92Å
333E71.3Confident60.4Low137 Ų13777.3 Ų77.364%0.6447%0.468SS*.G310 helixtrans-61.3-21.6178.2-62.2170.9-144.200112.9R281 G331R281-E333 IonicContact CZ-OE1 2.69Å; R281-E333 IonicContact NH1-OE1 3.4Å; R281-E333 PolarHBondContact NH1-OE1 2.9Å; R281-E333 IonicContact NH2-OE1 2.8Å; R281-E333 PolarHBondContact NH2-OE1 2.73Å; G331-E333 PolarHBondContact O-N 3.22Å; G331-E333 VanDerWaalsContact O-N 3.12Å
334N67.6Low60.5Low87 Ų8770.4 Ų70.447%0.46544%0.436SS..G310 helixtrans-101.65.1-179.8-67.1-36.3000114.1P330 G331 V332 S336 S337 L338P330-N334 HydrophobicContact CB-CB 4.5Å; G331-N334 PolarHBondContact O-N 3.21Å; V332-N334 PolarHBondContact O-N 2.91Å; N334-S336 VanDerWaalsContact C-N 3.3Å; N334-S336 PolarHBondContact O-N 3Å; N334-S337 WeakPolarHBondContact CA-OG 3.47Å; N334-S337 PolarHBondContact O-N 3.21Å; N334-S337 VanDerWaalsContact O-N 3.08Å; N334-S337 PolarHBondContact O-OG 2.96Å; N334-L338 PolarHBondContact O-N 3.07Å
335I66.9Low60.6Low13 Ų1369.8 Ų69.87%0.06743%0.427CS..G310 helixtrans-60.6-40.8-177.4-72.8174.2000111.6L250 A254 L270 Y274 V332 S337 L338L250-I335 HydrophobicContact CD1-CG1 4.41Å; A254-I335 HydrophobicContact CB-CG2 3.64Å; L270-I335 HydrophobicContact CD2-CD1 3.62Å; Y274-I335 HydrophobicContact CE2-CD1 4.47Å; V332-I335 HydrophobicContact CB-CD1 4.26Å; V332-I335 HydrophobicContact CG1-CD1 4.18Å; V332-I335 HydrophobicContact CG2-CD1 4.24Å; V332-I335 WeakPolarHBondContact O-CB 3.33Å; V332-I335 WeakPolarHBondContact O-CG1 3.3Å; V332-I335 PolarHBondContact O-N 2.92Å; I335-S337 PolarHBondContact O-N 3.12Å; I335-L338 WeakPolarHBondContact O-CB 3.44Å; I335-L338 PolarHBondContact O-N 3.21Å
336S58.5Low60.6Low104 Ų10465.8 Ų65.873%0.72742%0.418SS*.G310 helixtrans-79.44.1177.857.20000114.7N334N334-S336 VanDerWaalsContact C-N 3.3Å; N334-S336 PolarHBondContact O-N 3Å
337S56.8Low60.7Low82 Ų8263.3 Ų63.357%0.57338%0.384SS*.G310 helixtrans-112.82.2170.458.40000112.9N334 I335N334-S337 WeakPolarHBondContact CA-OG 3.47Å; N334-S337 PolarHBondContact O-N 3.21Å; N334-S337 VanDerWaalsContact O-N 3.08Å; N334-S337 PolarHBondContact O-OG 2.96Å; I335-S337 PolarHBondContact O-N 3.12Å
338L60.7Low60.2Low36 Ų3663.2 Ų63.219%0.18837%0.374CS..SBendtrans-65.7138.5169-65.3175.1000110.1L250 A254 P330 N334 I335 I340L250-L338 HydrophobicContact CD2-CD1 4.1Å; L250-L338 HydrophobicContact CG-CD1 3.9Å; A254-L338 HydrophobicContact CB-CD1 4.16Å; P330-L338 HydrophobicContact CB-CD2 4.26Å; P330-L338 HydrophobicContact CG-CD2 4.12Å; N334-L338 PolarHBondContact O-N 3.07Å; I335-L338 WeakPolarHBondContact O-CB 3.44Å; I335-L338 PolarHBondContact O-N 3.21Å; L338-I340 PolarHBondContact O-N 3.23Å
339P50.4Low59Low104 Ų10469.8 Ų69.868%0.67539%0.391SS*.  trans-6999.3-17926.9-33.9000110.8Q251Q251-P339 PolarHBondContact NE2-O 2.86Å
340I55.9Low57.4Low52 Ų5272.8 Ų72.827%0.26741%0.409SS..  trans-57126.7168.5-46.2167.3000107.6E258 L338 A342 L344E258-I340 WeakPolarHBondContact OE1-CD1 3.39Å; E258-I340 VanDerWaalsContact OE2-CD1 3.28Å; E258-I340 WeakPolarHBondContact OE2-CD1 3.35Å; E258-I340 WeakPolarHBondContact OE2-CG1 3.43Å; L338-I340 PolarHBondContact O-N 3.23Å; I340-A342 PolarHBondContact O-N 3.49Å; I340-L344 HydrophobicContact CG2-CB 3.82Å; I340-L344 HydrophobicContact CG2-CD1 3.91Å
341P53.8Low55.6Low54 Ų5471.2 Ų71.235%0.35140%0.4SS..  trans-55.5119.4176.2-25.634.2000109.9Q343 L344P341-Q343 CarbonylContact O-C 3.58Å; P341-Q343 PolarHBondContact O-N 2.88Å; P341-L344 WeakPolarHBondContact O-CB 3.41Å; P341-L344 PolarHBondContact O-N 3.01Å
342A43.2Very low54.1Low88 Ų8876 Ų7673%0.72742%0.417SS*.Hα-helixtrans-54.8-20.3-171.300000114.5I340 L344 G346I340-A342 PolarHBondContact O-N 3.49Å; A342-L344 VanDerWaalsContact C-N 3.33Å; A342-L344 PolarHBondContact O-N 2.89Å; A342-G346 PolarHBondContact O-N 2.92Å
343Q48.5Very low52.7Low128 Ų12882.2 Ų82.260%0.59844%0.443SS*.Hα-helixtrans-57.1-39.2169.1-55.9-168.824.100113.2P341 G346 R347P341-Q343 CarbonylContact O-C 3.58Å; P341-Q343 PolarHBondContact O-N 2.88Å; Q343-G346 PolarHBondContact O-N 3.08Å; Q343-R347 WeakPolarHBondContact O-CB 3.31Å; Q343-R347 WeakPolarHBondContact O-CD 3.48Å; Q343-R347 WeakPolarHBondContact O-CG 3.45Å; Q343-R347 PolarHBondContact O-N 3.46Å
344L47.7Very low51.5Low14 Ų1479.3 Ų79.37%0.07343%0.432CS..Hα-helixtrans-61.5-51.7179.3-111.6160000111.6W233 C255 I340 P341 A342 G346 R347 Q348W233-L344 HydrophobicContact CH2-CD1 3.67Å; W233-L344 HydrophobicContact CH2-CG 4.23Å; W233-L344 HydrophobicContact CZ2-CD1 3.55Å; W233-L344 HydrophobicContact CZ2-CD2 3.82Å; W233-L344 HydrophobicContact CZ2-CG 3.73Å; W233-L344 HydrophobicContact CZ3-CD1 4.33Å; C255-L344 HydrophobicContact CB-CD1 4.14Å; C255-L344 WeakPolarHBondContact SG-CD1 3.36Å; I340-L344 HydrophobicContact CG2-CB 3.82Å; I340-L344 HydrophobicContact CG2-CD1 3.91Å; P341-L344 WeakPolarHBondContact O-CB 3.41Å; P341-L344 PolarHBondContact O-N 3.01Å; A342-L344 VanDerWaalsContact C-N 3.33Å; A342-L344 PolarHBondContact O-N 2.89Å; L344-G346 VanDerWaalsContact C-N 3.32Å; L344-G346 PolarHBondContact O-N 2.87Å; L344-R347 CarbonylContact O-C 3.52Å; L344-R347 PolarHBondContact O-N 3.18Å; L344-R347 VanDerWaalsContact O-N 3.1Å; L344-Q348 PolarHBondContact O-N 3.39Å
345M47.1Very low50.5Low109 Ų10980.7 Ų80.754%0.53743%0.43SS..Hα-helixtrans-59-40.9177.4-74.7-72.7-105.800112.3
346G49.4Very low49.4Very low37 Ų3783.7 Ų83.738%0.38145%0.446SS..Hα-helixtrans-67.1-42172.300000113.3A342 Q343 L344 R349 T350A342-G346 PolarHBondContact O-N 2.92Å; Q343-G346 PolarHBondContact O-N 3.08Å; L344-G346 VanDerWaalsContact C-N 3.32Å; L344-G346 PolarHBondContact O-N 2.87Å; G346-R349 PolarHBondContact O-N 3.09Å; G346-T350 PolarHBondContact O-N 3.12Å; G346-T350 VanDerWaalsContact O-N 3.14Å; G346-T350 PolarHBondContact O-OG1 3.28Å
347R50.3Low48.7Very low64 Ų6480.7 Ų80.724%0.24243%0.427CS..Hα-helixtrans-69.7-35.1-179.3-73.8160.3-174.1-11913112.6D224 Q343 L344 R349 T350 A351D224-R347 IonicContact OD1-CZ 3.66Å; D224-R347 IonicContact OD1-NH1 3.39Å; D224-R347 PolarHBondContact OD1-NH1 3.01Å; D224-R347 IonicContact OD1-NH2 3.27Å; D224-R347 PolarHBondContact OD1-NH2 2.74Å; Q343-R347 WeakPolarHBondContact O-CB 3.31Å; Q343-R347 WeakPolarHBondContact O-CD 3.48Å; Q343-R347 WeakPolarHBondContact O-CG 3.45Å; Q343-R347 PolarHBondContact O-N 3.46Å; L344-R347 CarbonylContact O-C 3.52Å; L344-R347 PolarHBondContact O-N 3.18Å; L344-R347 VanDerWaalsContact O-N 3.1Å; R347-R349 PolarHBondContact O-N 3.32Å; R347-T350 CarbonylContact O-C 3.59Å; R347-T350 PolarHBondContact O-N 2.89Å; R347-A351 WeakPolarHBondContact O-CB 3.26Å; R347-A351 PolarHBondContact O-N 3.09Å
348Q48.4Very low48Very low84 Ų8480.7 Ų80.739%0.39342%0.419SS..Hα-helixtrans-56.8-48.2173.6-76.3-174.53.100111.5L259 L344 T350 A351 H352L259-Q348 HydrophobicContact CD2-CG 4.47Å; L344-Q348 PolarHBondContact O-N 3.39Å; Q348-T350 VanDerWaalsContact C-N 3.33Å; Q348-T350 PolarHBondContact O-N 3.16Å; Q348-A351 PolarHBondContact O-N 2.97Å; Q348-H352 WeakPolarHBondContact O-CB 3.43Å; Q348-H352 PolarHBondContact O-N 3.44Å
349R43.6Very low46.9Very low189 Ų18981.8 Ų81.871%0.71342%0.421SS*.Hα-helixtrans-62.5-39.6176.7-65-177.7179.7-176.40.6111.8G346 R347 K353G346-R349 PolarHBondContact O-N 3.09Å; R347-R349 PolarHBondContact O-N 3.32Å; R349-K353 WeakPolarHBondContact O-CB 3.46Å; R349-K353 PolarHBondContact O-N 3.27Å
350T46.6Very low46.2Very low67 Ų6780.9 Ų80.941%0.41141%0.41SS..Hα-helixtrans-70-36.2175.7-50.70000112.5G346 R347 Q348 K353 N354G346-T350 PolarHBondContact O-N 3.12Å; G346-T350 VanDerWaalsContact O-N 3.14Å; G346-T350 PolarHBondContact O-OG1 3.28Å; R347-T350 CarbonylContact O-C 3.59Å; R347-T350 PolarHBondContact O-N 2.89Å; Q348-T350 VanDerWaalsContact C-N 3.33Å; Q348-T350 PolarHBondContact O-N 3.16Å; T350-K353 PolarHBondContact O-N 3.33Å; T350-N354 VanDerWaalsContact O-CB 3.28Å; T350-N354 WeakPolarHBondContact O-CB 3.44Å; T350-N354 VanDerWaalsContact O-CG 3.24Å; T350-N354 PolarHBondContact O-N 3.17Å; T350-N354 PolarHBondContact O-OD1 3.41Å
351A46.5Very low45.4Very low7 Ų787.3 Ų87.36%0.05843%0.431CS..Hα-helixtrans-69.4-38177.300000111.6N226 R347 Q348 R355N226-A351 HydrophobicContact CB-CB 3.6Å; R347-A351 WeakPolarHBondContact O-CB 3.26Å; R347-A351 PolarHBondContact O-N 3.09Å; Q348-A351 PolarHBondContact O-N 2.97Å; A351-R355 WeakPolarHBondContact O-CB 3.48Å; A351-R355 PolarHBondContact O-N 3.06Å
352H45.9Very low44.3Very low118 Ų11886.3 Ų86.355%0.54643%0.431SS..Hα-helixtrans-67-46.5171.4-167.270.2000111Q348 N354 R355 I356Q348-H352 WeakPolarHBondContact O-CB 3.43Å; Q348-H352 PolarHBondContact O-N 3.44Å; H352-N354 VanDerWaalsContact C-N 3.35Å; H352-N354 PolarHBondContact O-N 3.31Å; H352-R355 PolarHBondContact O-N 2.58Å; H352-I356 WeakPolarHBondContact O-CB 3.46Å; H352-I356 VanDerWaalsContact O-CG1 3.27Å; H352-I356 WeakPolarHBondContact O-CG1 3.39Å; H352-I356 PolarHBondContact O-N 2.98Å
353K47Very low44.2Very low152 Ų15282.5 Ų82.566%0.66140%0.399SS*.Hα-helixtrans-59.3-39.9172.6-81.4-171.1173.2-172.90113R349 T350 I356 A357R349-K353 WeakPolarHBondContact O-CB 3.46Å; R349-K353 PolarHBondContact O-N 3.27Å; T350-K353 PolarHBondContact O-N 3.33Å; K353-I356 PolarHBondContact O-N 2.99Å; K353-A357 WeakPolarHBondContact O-CB 3.36Å; K353-A357 PolarHBondContact O-N 3.37Å
354N47.2Very low43.7Very low77 Ų7778.5 Ų78.541%0.41238%0.382SS..Hα-helixtrans-72.9-40.1179.4-76.114.9000112N226 T350 H352 A357 M358N226-N354 PolarHBondContact ND2-ND2 2.88Å; T350-N354 VanDerWaalsContact O-CB 3.28Å; T350-N354 WeakPolarHBondContact O-CB 3.44Å; T350-N354 VanDerWaalsContact O-CG 3.24Å; T350-N354 PolarHBondContact O-N 3.17Å; T350-N354 PolarHBondContact O-OD1 3.41Å; H352-N354 VanDerWaalsContact C-N 3.35Å; H352-N354 PolarHBondContact O-N 3.31Å; N354-A357 WeakPolarHBondContact O-CB 3.48Å; N354-A357 PolarHBondContact O-N 2.9Å; N354-A357 VanDerWaalsContact O-N 3.14Å; N354-M358 WeakPolarHBondContact O-CG 3.06Å; N354-M358 PolarHBondContact O-N 3.24Å
355R45.7Very low43.3Very low116 Ų11680.4 Ų80.444%0.43839%0.391SS..Hα-helixtrans-58.1-50.2169.3-90.4-179.8-98.8-178.2-11110.6A351 H352 A357 M358 Y359A351-R355 WeakPolarHBondContact O-CB 3.48Å; A351-R355 PolarHBondContact O-N 3.06Å; H352-R355 PolarHBondContact O-N 2.58Å; R355-A357 PolarHBondContact O-N 2.97Å; R355-M358 PolarHBondContact O-N 3.3Å; R355-M358 VanDerWaalsContact O-N 3.13Å; R355-Y359 HydrophobicContact CB-CD2 4.27Å; R355-Y359 HydrophobicContact CB-CE2 3.77Å; R355-Y359 HydrophobicContact CG-CE2 4.26Å; R355-Y359 WeakPolarHBondContact O-CB 3.41Å; R355-Y359 WeakPolarHBondContact O-CD2 3.43Å; R355-Y359 PolarHBondContact O-N 2.86Å
356I44.4Very low42.9Very low75 Ų7576.7 Ų76.739%0.38538%0.381SS..Hα-helixtrans-54.6-40.5173-71.4165.9000111.4H352 K353 L360H352-I356 WeakPolarHBondContact O-CB 3.46Å; H352-I356 VanDerWaalsContact O-CG1 3.27Å; H352-I356 WeakPolarHBondContact O-CG1 3.39Å; H352-I356 PolarHBondContact O-N 2.98Å; K353-I356 PolarHBondContact O-N 2.99Å; I356-L360 HydrophobicContact CG2-CD1 3.72Å; I356-L360 HydrophobicContact CG2-CG 4.26Å; I356-L360 VanDerWaalsContact O-CB 3.22Å; I356-L360 WeakPolarHBondContact O-CB 3.39Å; I356-L360 WeakPolarHBondContact O-CG 3.46Å; I356-L360 PolarHBondContact O-N 3.21Å
357A43.4Very low42.3Very low42 Ų4275.1 Ų75.135%0.34736%0.364SS..Hα-helixtrans-67.8-40.7177.200000113.3K353 N354 R355 L360 R361K353-A357 WeakPolarHBondContact O-CB 3.36Å; K353-A357 PolarHBondContact O-N 3.37Å; N354-A357 WeakPolarHBondContact O-CB 3.48Å; N354-A357 PolarHBondContact O-N 2.9Å; N354-A357 VanDerWaalsContact O-N 3.14Å; R355-A357 PolarHBondContact O-N 2.97Å; A357-L360 PolarHBondContact O-N 3.38Å; A357-R361 WeakPolarHBondContact O-CG 3.39Å; A357-R361 PolarHBondContact O-N 3.49Å; A357-R361 VanDerWaalsContact O-N 3.12Å
358M41.5Very low41.4Very low82 Ų8274.4 Ų74.440%0.40437%0.369SS..Hα-helixtrans-67.2-40.4175.2-68.5174.577.200111.7N354 R355 R361 S363N354-M358 WeakPolarHBondContact O-CG 3.06Å; N354-M358 PolarHBondContact O-N 3.24Å; R355-M358 PolarHBondContact O-N 3.3Å; R355-M358 VanDerWaalsContact O-N 3.13Å; M358-R361 CarbonylContact O-C 3.46Å; M358-R361 WeakPolarHBondContact O-CB 3.18Å; M358-R361 PolarHBondContact O-N 3.21Å; M358-S363 WeakPolarHBondContact O-CB 3.42Å; M358-S363 PolarHBondContact O-N 3.04Å
359Y37.9Very low40.8Very low59 Ų5974.3 Ų74.323%0.23137%0.37CS..Hα-helixtrans-68.2-36.7174.9-56.7-33.1000111.9H51 R355 R361 G362H51-Y359 HydrophobicContact CB-CD2 4.26Å; H51-Y359 HydrophobicContact CB-CE2 3.94Å; H51-Y359 AromaticContact CD2-CD1 3.32Å; H51-Y359 WeakPolarHBondContact CD2-CD1 3.43Å; H51-Y359 AromaticContact CD2-CD2 3.36Å; H51-Y359 WeakPolarHBondContact CD2-CD2 3.47Å; H51-Y359 AromaticContact CD2-CE1 3.55Å; H51-Y359 AromaticContact CD2-CE2 3.59Å; H51-Y359 AromaticContact CD2-CG 3.22Å; H51-Y359 AromaticContact CD2-CZ 3.68Å; H51-Y359 AromaticContact CE1-CD1 3.93Å; H51-Y359 AromaticContact CE1-CE1 3.68Å; H51-Y359 AromaticContact CG-CD2 3.88Å; H51-Y359 AromaticContact CG-CE1 3.93Å; H51-Y359 AromaticContact CG-CE2 3.65Å; H51-Y359 AromaticContact CG-CZ 3.67Å; H51-Y359 AromaticContact ND1-CE1 3.99Å; H51-Y359 AromaticContact ND1-CZ 3.94Å; H51-Y359 AromaticContact NE2-CD1 3.17Å; H51-Y359 WeakPolarHBondContact NE2-CD1 3.21Å; H51-Y359 AromaticContact NE2-CE1 3.4Å; H51-Y359 WeakPolarHBondContact NE2-CE1 3.47Å; H51-Y359 AromaticContact NE2-CG 3.59Å; H51-Y359 AromaticContact NE2-CZ 3.97Å; R355-Y359 HydrophobicContact CB-CD2 4.27Å; R355-Y359 HydrophobicContact CB-CE2 3.77Å; R355-Y359 HydrophobicContact CG-CE2 4.26Å; R355-Y359 WeakPolarHBondContact O-CB 3.41Å; R355-Y359 WeakPolarHBondContact O-CD2 3.43Å; R355-Y359 PolarHBondContact O-N 2.86Å; Y359-R361 PolarHBondContact O-N 2.88Å; Y359-G362 PolarHBondContact O-N 3.1Å
360L36.2Very low40.1Very low84 Ų8471.6 Ų71.644%0.4437%0.365SS..Hα-helixtrans-67.1-19.1171.6-76.8171000113.7I356 A357 G362I356-L360 HydrophobicContact CG2-CD1 3.72Å; I356-L360 HydrophobicContact CG2-CG 4.26Å; I356-L360 VanDerWaalsContact O-CB 3.22Å; I356-L360 WeakPolarHBondContact O-CB 3.39Å; I356-L360 WeakPolarHBondContact O-CG 3.46Å; I356-L360 PolarHBondContact O-N 3.21Å; A357-L360 PolarHBondContact O-N 3.38Å; L360-G362 VanDerWaalsContact C-N 3.29Å
361R38.5Very low39.3Very low187 Ų18776.9 Ų76.971%0.70639%0.386SS*.THydrogen-bonded Turntrans-88.421.4167.7-66.7178.3-174-159.70.9113.1A357 M358 Y359 S363A357-R361 WeakPolarHBondContact O-CG 3.39Å; A357-R361 PolarHBondContact O-N 3.49Å; A357-R361 VanDerWaalsContact O-N 3.12Å; M358-R361 CarbonylContact O-C 3.46Å; M358-R361 WeakPolarHBondContact O-CB 3.18Å; M358-R361 PolarHBondContact O-N 3.21Å; Y359-R361 PolarHBondContact O-N 2.88Å; R361-S363 PolarHBondContact O-N 3.4Å; R361-S363 VanDerWaalsContact O-N 3.15Å
362G32.1Very low38.4Very low34 Ų3482.5 Ų82.535%0.35142%0.421SS..THydrogen-bonded Turntrans72.38.3170.700000116Y359 L360 L364Y359-G362 PolarHBondContact O-N 3.1Å; L360-G362 VanDerWaalsContact C-N 3.29Å; G362-L364 PolarHBondContact O-N 3.49Å
363S39.9Very low37.6Very low7 Ų784.5 Ų84.55%0.04944%0.436CS..  trans-78.584.3-178.2-175.20000111.9M358 R361 I365 G366 I367M358-S363 WeakPolarHBondContact O-CB 3.42Å; M358-S363 PolarHBondContact O-N 3.04Å; R361-S363 PolarHBondContact O-N 3.4Å; R361-S363 VanDerWaalsContact O-N 3.15Å; S363-I365 PolarHBondContact O-N 2.92Å; S363-G366 WeakPolarHBondContact OG-CA 3.39Å; S363-G366 PolarHBondContact OG-N 3.29Å; S363-G366 PolarHBondContact OG-O 3.24Å; S363-I367 PolarHBondContact OG-N 2.86Å; S363-I367 PolarHBondContact OG-O 2.8Å; S363-I367 VanDerWaalsContact OG-O 3.06Å
364L38.9Very low36.7Very low45 Ų4582.8 Ų82.824%0.23643%0.434CS..THydrogen-bonded Turntrans-57.8-20.4-178.4-89.897.3000114.9L48 L49 H51 Y78 L82 G362L48-L364 HydrophobicContact CD2-CD2 4.29Å; L49-L364 HydrophobicContact CD2-CD1 3.69Å; L49-L364 HydrophobicContact CD2-CG 3.98Å; H51-L364 PolarHBondContact CE1-O 3.05Å; Y78-L364 HydrophobicContact CE1-CD2 4.28Å; L82-L364 HydrophobicContact CD1-CD2 4.06Å; G362-L364 PolarHBondContact O-N 3.49Å
365I39.2Very low36Very low54 Ų5486 Ų8628%0.27745%0.452SS..THydrogen-bonded Turntrans-129.8-0.6-167.4-52.8160.4000111.3A117 H121 S363 I367A117-I365 HydrophobicContact CB-CD1 4.08Å; H121-I365 WeakPolarHBondContact NE2-CD1 3.28Å; S363-I365 PolarHBondContact O-N 2.92Å; I365-I367 HydrophobicContact CB-CB 4.24Å; I365-I367 HydrophobicContact CB-CD1 4Å; I365-I367 HydrophobicContact CB-CG1 4Å; I365-I367 HydrophobicContact CD1-CD1 4.08Å; I365-I367 HydrophobicContact CG2-CD1 3.76Å; I365-I367 HydrophobicContact CG2-CG1 3.99Å; I365-I367 PolarHBondContact O-N 3.18Å
366G38.4Very low35.4Very low31 Ų3186.5 Ų86.532%0.3246%0.457SS..SBendtrans81.8-12.7-157.100000112.7S363 S368S363-G366 WeakPolarHBondContact OG-CA 3.39Å; S363-G366 PolarHBondContact OG-N 3.29Å; S363-G366 PolarHBondContact OG-O 3.24Å; G366-S368 PolarHBondContact O-N 3.42Å
367I36.8Very low34.9Very low4 Ų487.6 Ų87.62%0.02147%0.471CS..  trans-74.8107.9170.9-59.1171.9000109.7M152 L153 S363 I365 L369M152-I367 HydrophobicContact CB-CG2 4.14Å; M152-I367 HydrophobicContact CG-CB 4.38Å; M152-I367 HydrophobicContact CG-CG2 4.27Å; L153-I367 HydrophobicContact CB-CD1 4.26Å; L153-I367 HydrophobicContact CB-CG2 4.27Å; L153-I367 HydrophobicContact CD1-CD1 3.79Å; S363-I367 PolarHBondContact OG-N 2.86Å; S363-I367 PolarHBondContact OG-O 2.8Å; S363-I367 VanDerWaalsContact OG-O 3.06Å; I365-I367 HydrophobicContact CB-CB 4.24Å; I365-I367 HydrophobicContact CB-CD1 4Å; I365-I367 HydrophobicContact CB-CG1 4Å; I365-I367 HydrophobicContact CD1-CD1 4.08Å; I365-I367 HydrophobicContact CG2-CD1 3.76Å; I365-I367 HydrophobicContact CG2-CG1 3.99Å; I365-I367 PolarHBondContact O-N 3.18Å; I367-L369 HydrophobicContact CG2-CD2 4.22Å; I367-L369 PolarHBondContact O-N 2.8Å
368S30.6Very low34.6Very low49 Ų4989.5 Ų89.534%0.34349%0.487SS..  trans-56.8122.4164.1-167.90000109.7G366 E370G366-S368 PolarHBondContact O-N 3.42Å; S368-E370 PolarHBondContact OG-O 3.35Å
369L35.7Very low34.9Very low81 Ų8187.9 Ų87.942%0.42448%0.482SS..  trans-100.9-3.8176-66.5171.7000112.3V113 I367V113-L369 HydrophobicContact CG1-CD2 3.51Å; I367-L369 HydrophobicContact CG2-CD2 4.22Å; I367-L369 PolarHBondContact O-N 2.8Å
370E29.5Very low35.6Very low132 Ų13290 Ų9062%0.61750%0.504SS*.SBendtrans-97.1142.2172-62.9177.7157.200108.9S368S368-E370 PolarHBondContact OG-O 3.35Å
371E30.6Very low37.2Very low179 Ų17986.4 Ų86.484%0.83649%0.485SS*.  trans-60.5153.8171-67.2-174.9146.200110.3D373E371-D373 PolarHBondContact O-N 3.01Å
372P27.1Very low39.1Very low124 Ų12480.2 Ų80.281%0.80547%0.468SS*.  trans-69.594.3175.929.5-34.2000110.3D374P372-D374 PolarHBondContact O-N 2.78Å
373D29.2Very low41.1Very low160 Ų16084 Ų8486%0.85649%0.487SS*.  trans-51.5126.7161.1-119-19.8000108E371 D375E371-D373 PolarHBondContact O-N 3.01Å; D373-D375 PolarHBondContact O-N 3.45Å
374D28.7Very low43Very low116 Ų11691.2 Ų91.262%0.6252%0.519SS*.  trans-78.353.4-152.5-171.621.5000114.4P372 K376P372-D374 PolarHBondContact O-N 2.78Å; D374-K376 PolarHBondContact O-N 3.23Å; D374-K376 WeakPolarHBondContact OD1-CE 3.45Å; D374-K376 VanDerWaalsContact OD1-CG 3.32Å; D374-K376 WeakPolarHBondContact OD1-CG 3.37Å; D374-K376 IonicContact OD1-NZ 2.76Å; D374-K376 PolarHBondContact OD1-NZ 3.15Å; D374-K376 IonicContact OD2-NZ 3.59Å; D374-K376 PolarHBondContact OD2-NZ 3.44Å
375D31.1Very low45.1Very low146 Ų14692.9 Ų92.978%0.78153%0.526SS*.  trans-82.565.7179.9-153.916.2000110.9D373 S377D373-D375 PolarHBondContact O-N 3.45Å; D375-S377 PolarHBondContact O-N 3.31Å
376K33.8Very low47.3Very low125 Ų12592.9 Ų92.954%0.54353%0.526SS..  trans-49.3121.8180-68-174.9170.775.90110.7D374 A378 Q420D374-K376 PolarHBondContact O-N 3.23Å; D374-K376 WeakPolarHBondContact OD1-CE 3.45Å; D374-K376 VanDerWaalsContact OD1-CG 3.32Å; D374-K376 WeakPolarHBondContact OD1-CG 3.37Å; D374-K376 IonicContact OD1-NZ 2.76Å; D374-K376 PolarHBondContact OD1-NZ 3.15Å; D374-K376 IonicContact OD2-NZ 3.59Å; D374-K376 PolarHBondContact OD2-NZ 3.44Å; K376-A378 PolarHBondContact O-N 3.39Å; K376-A378 VanDerWaalsContact O-N 3.08Å; K376-Q420 PolarHBondContact O-NE2 2.59Å
377S32.7Very low49.5Very low99 Ų9997.3 Ų97.369%0.69254%0.538SS*.  trans-23107.4177.958.20000113.3D375 V379 Q420D375-S377 PolarHBondContact O-N 3.31Å; S377-V379 WeakPolarHBondContact O-CG2 3.35Å; S377-V379 PolarHBondContact O-N 3.19Å; S377-Q420 PolarHBondContact O-NE2 2.92Å
378A37.1Very low51.9Low81 Ų81100.8 Ų100.867%0.66956%0.556SS**  trans-61.7112.1178.800000109.4K376 C380K376-A378 PolarHBondContact O-N 3.39Å; K376-A378 VanDerWaalsContact O-N 3.08Å; A378-C380 PolarHBondContact O-N 2.76Å
379V48Very low54.7Low49 Ų4999 Ų9930%0.29754%0.543SS..  trans-78.970.7-176.9-173.50000109.1S377 L381 V416 M417S377-V379 WeakPolarHBondContact O-CG2 3.35Å; S377-V379 PolarHBondContact O-N 3.19Å; V379-L381 PolarHBondContact O-N 3.06Å; V379-V416 HydrophobicContact CB-CG1 4.32Å; V379-V416 HydrophobicContact CG2-CG1 3.92Å; V379-M417 WeakPolarHBondContact O-CE 3.22Å
380C52.7Low57.2Low103 Ų103100.5 Ų100.570%0.69655%0.547SS*.  trans-80.196.1178-165.70000109.4A378 T382A378-C380 PolarHBondContact O-N 2.76Å; C380-T382 PolarHBondContact O-N 2.82Å
381L69.3Low59.8Low9 Ų998.4 Ų98.45%0.04754%0.539CS..  trans-55.7131.4165.6-67.7170.9000109.3V379 Q385 L386 L410 Y414 M417V379-L381 PolarHBondContact O-N 3.06Å; L381-Q385 HydrophobicContact CB-CB 4.14Å; L381-Q385 HydrophobicContact CD2-CB 3.99Å; L381-L386 HydrophobicContact CB-CD2 4.12Å; L381-L386 HydrophobicContact CB-CG 3.92Å; L381-L386 HydrophobicContact CD1-CD2 3.86Å; L381-L410 HydrophobicContact CD2-CD2 3.78Å; L381-Y414 HydrophobicContact CD1-CD2 4.29Å; L381-Y414 HydrophobicContact CD1-CG 4.48Å; L381-M417 HydrophobicContact CB-CE 3.75Å; L381-M417 HydrophobicContact CD1-CE 4.11Å; L381-M417 HydrophobicContact CG-CE 3.95Å
382T79.1Confident62.7Low57 Ų5790.4 Ų90.435%0.3550%0.502SS..  trans-65.5159.7175.471.50000110.7C380 Q384 Q385 L386C380-T382 PolarHBondContact O-N 2.82Å; T382-Q384 PolarHBondContact O-N 2.9Å; T382-Q384 VanDerWaalsContact O-N 3.13Å; T382-Q384 PolarHBondContact OG1-N 3.26Å; T382-Q385 PolarHBondContact O-N 2.78Å; T382-Q385 WeakPolarHBondContact OG1-CG 3.22Å; T382-Q385 PolarHBondContact OG1-N 2.58Å; T382-Q385 VanDerWaalsContact OG1-N 3.14Å; T382-L386 PolarHBondContact O-N 3.12Å
383P74.7Confident65.6Low114 Ų11488.8 Ų88.874%0.7449%0.486SS*.Hα-helixtrans-53.7-33.6173-27.736.1000113.1H387P383-H387 WeakPolarHBondContact O-CB 3.37Å; P383-H387 PolarHBondContact O-N 2.83Å
384Q78.9Confident68.3Low158 Ų15888.1 Ų88.174%0.73848%0.478SS*.Hα-helixtrans-68.2-41174.7-65.7169.1-27.500112.3T382 H387 L388T382-Q384 PolarHBondContact O-N 2.9Å; T382-Q384 VanDerWaalsContact O-N 3.13Å; T382-Q384 PolarHBondContact OG1-N 3.26Å; Q384-H387 PolarHBondContact O-N 2.8Å; Q384-L388 WeakPolarHBondContact O-CB 3.25Å; Q384-L388 PolarHBondContact O-N 3.22Å
385Q84.5Confident71Confident80 Ų8086.2 Ų86.237%0.37447%0.468SS..Hα-helixtrans-69.7-37.1176.6-73.9172.3-38.900112.5L381 T382 L388 M389 L410L381-Q385 HydrophobicContact CB-CB 4.14Å; L381-Q385 HydrophobicContact CD2-CB 3.99Å; T382-Q385 PolarHBondContact O-N 2.78Å; T382-Q385 WeakPolarHBondContact OG1-CG 3.22Å; T382-Q385 PolarHBondContact OG1-N 2.58Å; T382-Q385 VanDerWaalsContact OG1-N 3.14Å; Q385-L388 PolarHBondContact O-N 2.67Å; Q385-M389 WeakPolarHBondContact O-CB 3.47Å; Q385-M389 PolarHBondContact O-N 2.92Å; Q385-L410 HydrophobicContact CB-CD2 3.9Å; Q385-L410 HydrophobicContact CG-CD2 4.26Å
386L83.7Confident73.6Confident54 Ų5482.7 Ų82.728%0.28345%0.451SS..Hα-helixtrans-64.8-42.9172.1-73.4169000111.5L381 T382 M389 H390 Y414L381-L386 HydrophobicContact CB-CD2 4.12Å; L381-L386 HydrophobicContact CB-CG 3.92Å; L381-L386 HydrophobicContact CD1-CD2 3.86Å; T382-L386 PolarHBondContact O-N 3.12Å; L386-M389 HydrophobicContact CD2-CE 4.14Å; L386-M389 PolarHBondContact O-N 3.37Å; L386-H390 PolarHBondContact O-CD2 3.45Å; L386-H390 VanDerWaalsContact O-CD2 3.29Å; L386-H390 PolarHBondContact O-N 3.28Å; L386-Y414 HydrophobicContact CD2-CD2 3.97Å; L386-Y414 HydrophobicContact CD2-CE2 4.14Å
387H85.3Confident75.9Confident123 Ų12380.5 Ų80.557%0.56946%0.464SS*.Hα-helixtrans-62.5-44.9174.1-177.775.8000111.8P383 Q384 M389 H390 M391P383-H387 WeakPolarHBondContact O-CB 3.37Å; P383-H387 PolarHBondContact O-N 2.83Å; Q384-H387 PolarHBondContact O-N 2.8Å; H387-M389 VanDerWaalsContact C-N 3.35Å; H387-M389 PolarHBondContact O-N 3.24Å; H387-H390 PolarHBondContact O-N 3.14Å; H387-M391 WeakPolarHBondContact O-CG 3.25Å; H387-M391 PolarHBondContact O-N 2.86Å
388L87.8Confident78.5Confident77 Ų7782.5 Ų82.540%0.40347%0.467SS..Hα-helixtrans-60.5-41.8174.7179.260.4000112.1Q384 Q385 H390 M391 L392 T406 L410Q384-L388 WeakPolarHBondContact O-CB 3.25Å; Q384-L388 PolarHBondContact O-N 3.22Å; Q385-L388 PolarHBondContact O-N 2.67Å; L388-H390 PolarHBondContact O-N 2.97Å; L388-M391 PolarHBondContact O-N 2.81Å; L388-L392 HydrophobicContact CD1-CD1 4.01Å; L388-L392 HydrophobicContact CD1-CG 4.08Å; L388-L392 HydrophobicContact CG-CD1 4Å; L388-L392 HydrophobicContact CG-CG 4.47Å; L388-L392 WeakPolarHBondContact O-CB 3.4Å; L388-L392 VanDerWaalsContact O-CG 3.31Å; L388-L392 WeakPolarHBondContact O-CG 3.31Å; L388-L392 PolarHBondContact O-N 2.79Å; L388-T406 HydrophobicContact CD2-CG2 4.22Å; L388-L410 HydrophobicContact CB-CD1 4.37Å; L388-L410 HydrophobicContact CD2-CD1 4.09Å; L388-L410 HydrophobicContact CG-CD1 3.96Å
389M89.9Confident80.8Confident12 Ų1280 Ų806%0.05944%0.443CS..Hα-helixtrans-59.8-45.8174.8-172.3-176.468.500111Q385 L386 H387 N393 L407 L410 Q411 Y414Q385-M389 WeakPolarHBondContact O-CB 3.47Å; Q385-M389 PolarHBondContact O-N 2.92Å; L386-M389 HydrophobicContact CD2-CE 4.14Å; L386-M389 PolarHBondContact O-N 3.37Å; H387-M389 VanDerWaalsContact C-N 3.35Å; H387-M389 PolarHBondContact O-N 3.24Å; M389-N393 WeakPolarHBondContact O-CB 3.35Å; M389-N393 PolarHBondContact O-N 2.58Å; M389-L407 HydrophobicContact CG-CD1 4.43Å; M389-L410 HydrophobicContact CB-CB 4.02Å; M389-L410 HydrophobicContact CB-CD1 4.08Å; M389-L410 HydrophobicContact CG-CB 3.94Å; M389-L410 HydrophobicContact SD-CB 4.3Å; M389-Q411 HydrophobicContact SD-CG 4.5Å; M389-Y414 HydrophobicContact CE-CD1 3.85Å; M389-Y414 HydrophobicContact CE-CD2 4.25Å; M389-Y414 HydrophobicContact CE-CE1 4.19Å; M389-Y414 HydrophobicContact CE-CG 3.88Å; M389-Y414 HydrophobicContact SD-CD1 4.22Å; M389-Y414 HydrophobicContact SD-CG 4.09Å
390H86.9Confident82.8Confident112 Ų11281.4 Ų81.452%0.51945%0.448SS..Hα-helixtrans-61.9-46.7176-85-124.4000112.3L386 H387 L388 L392 N393 Q394L386-H390 PolarHBondContact O-CD2 3.45Å; L386-H390 VanDerWaalsContact O-CD2 3.29Å; L386-H390 PolarHBondContact O-N 3.28Å; H387-H390 PolarHBondContact O-N 3.14Å; L388-H390 PolarHBondContact O-N 2.97Å; H390-L392 PolarHBondContact O-N 3.5Å; H390-N393 PolarHBondContact O-N 2.95Å; H390-Q394 WeakPolarHBondContact O-CG 3.39Å; H390-Q394 PolarHBondContact O-N 3.25Å
391M85.5Confident84.2Confident88 Ų8881.5 Ų81.543%0.43345%0.448SS..Hα-helixtrans-60.2-42.8179-74.2-66.4-69.900112.6H387 L388 N395H387-M391 WeakPolarHBondContact O-CG 3.25Å; H387-M391 PolarHBondContact O-N 2.86Å; L388-M391 PolarHBondContact O-N 2.81Å; M391-N395 PolarHBondContact O-ND2 3.31Å
392L90.2Very high84.8Confident12 Ų1287.4 Ų87.46%0.06348%0.475CS..Hα-helixtrans-68.3-43.4175.4-69.5172000111.4L388 H390 Q394 N395 V396 L399 Q403 T406 L407 L410L388-L392 HydrophobicContact CD1-CD1 4.01Å; L388-L392 HydrophobicContact CD1-CG 4.08Å; L388-L392 HydrophobicContact CG-CD1 4Å; L388-L392 HydrophobicContact CG-CG 4.47Å; L388-L392 WeakPolarHBondContact O-CB 3.4Å; L388-L392 VanDerWaalsContact O-CG 3.31Å; L388-L392 WeakPolarHBondContact O-CG 3.31Å; L388-L392 PolarHBondContact O-N 2.79Å; H390-L392 PolarHBondContact O-N 3.5Å; L392-Q394 PolarHBondContact O-N 2.94Å; L392-N395 PolarHBondContact O-N 2.8Å; L392-V396 PolarHBondContact O-N 3.3Å; L392-L399 HydrophobicContact CB-CD1 4.36Å; L392-L399 HydrophobicContact CD2-CD1 4.35Å; L392-L399 HydrophobicContact CD2-CD2 3.72Å; L392-Q403 HydrophobicContact CD2-CB 3.91Å; L392-Q403 HydrophobicContact CD2-CG 4.08Å; L392-T406 HydrophobicContact CD1-CG2 3.97Å; L392-L407 HydrophobicContact CB-CB 4.16Å; L392-L407 HydrophobicContact CB-CD1 3.9Å; L392-L407 HydrophobicContact CB-CD2 4.46Å; L392-L407 HydrophobicContact CB-CG 4.39Å; L392-L407 HydrophobicContact CD1-CB 4.16Å; L392-L410 HydrophobicContact CD1-CD1 4.17Å
393N88.4Confident85.3Confident89 Ų8988.1 Ų88.148%0.47647%0.474SS..Hα-helixtrans-72-15.2-177.5-157.472.9000113.7M389 H390 V396 L407 Q411M389-N393 WeakPolarHBondContact O-CB 3.35Å; M389-N393 PolarHBondContact O-N 2.58Å; H390-N393 PolarHBondContact O-N 2.95Å; N393-V396 WeakPolarHBondContact O-CG2 3.45Å; N393-L407 HydrophobicContact CB-CD1 4.02Å; N393-Q411 PolarHBondContact OD1-NE2 3.2Å
394Q85.9Confident85.9Confident147 Ų14786.7 Ų86.769%0.68746%0.459SS*.Hα-helixtrans-83.2-23.6168.1-75.5177.4-12.500113.3H390 L392H390-Q394 WeakPolarHBondContact O-CG 3.39Å; H390-Q394 PolarHBondContact O-N 3.25Å; L392-Q394 PolarHBondContact O-N 2.94Å
395N85.9Confident86.3Confident75 Ų7583.2 Ų83.240%0.40144%0.444SS..  trans-112.520.6-170.5-72.9-78.1000113.8M391 L392 G397 N398 L399M391-N395 PolarHBondContact O-ND2 3.31Å; L392-N395 PolarHBondContact O-N 2.8Å; N395-G397 PolarHBondContact O-N 2.93Å; N395-N398 PolarHBondContact O-N 3.48Å; N395-L399 HydrophobicContact CB-CD2 4.16Å; N395-L399 WeakPolarHBondContact O-CG 3.32Å
396V84.9Confident86.3Confident72 Ų7281.5 Ų81.544%0.43644%0.44SS..G310 helixtrans-48.7-37.9-170.4-179.80000114L392 N393 N398 L407L392-V396 PolarHBondContact O-N 3.3Å; N393-V396 WeakPolarHBondContact O-CG2 3.45Å; V396-N398 PolarHBondContact O-N 3.04Å; V396-L407 HydrophobicContact CG2-CD2 4.15Å
397G82.4Confident86.8Confident79 Ų7979.3 Ų79.381%0.81443%0.428SS*.G310 helixtrans-67.7-16.7179.300000115.7N395N395-G397 PolarHBondContact O-N 2.93Å
398N87.2Confident86.9Confident142 Ų14280.5 Ų80.576%0.75943%0.428SS*.G310 helixtrans-116.79.6-175.6-69.1-21000113.3N395 V396N395-N398 PolarHBondContact O-N 3.48Å; V396-N398 PolarHBondContact O-N 3.04Å
399L85.3Confident86.8Confident29 Ų2982.1 Ų82.115%0.15243%0.433CS..  trans-78.6134.8-176.4-59.8-173.2000112.5L392 N395 Q403 M404 L407L392-L399 HydrophobicContact CB-CD1 4.36Å; L392-L399 HydrophobicContact CD2-CD1 4.35Å; L392-L399 HydrophobicContact CD2-CD2 3.72Å; N395-L399 HydrophobicContact CB-CD2 4.16Å; N395-L399 WeakPolarHBondContact O-CG 3.32Å; L399-Q403 HydrophobicContact CB-CB 4Å; L399-Q403 HydrophobicContact CD2-CB 4.16Å; L399-Q403 HydrophobicContact CG-CB 4.45Å; L399-M404 HydrophobicContact CB-CG 3.93Å; L399-M404 HydrophobicContact CD1-CG 4.5Å; L399-L407 HydrophobicContact CD1-CB 4.48Å; L399-L407 HydrophobicContact CD1-CD2 3.73Å
400N89.6Confident86.8Confident77 Ų7782.1 Ų82.141%0.41243%0.433SS..  trans-74.2166.1168.876.640000111.7Q402 Q403 M404N400-Q402 VanDerWaalsContact C-N 3.26Å; N400-Q402 PolarHBondContact O-N 2.99Å; N400-Q402 WeakPolarHBondContact OD1-CA 3.24Å; N400-Q402 WeakPolarHBondContact OD1-CB 3.44Å; N400-Q402 PolarHBondContact OD1-N 3.05Å; N400-Q403 VanDerWaalsContact CG-OE1 3.29Å; N400-Q403 PolarHBondContact ND2-OE1 3.47Å; N400-Q403 WeakPolarHBondContact O-CB 3.39Å; N400-Q403 PolarHBondContact O-N 3.45Å; N400-Q403 VanDerWaalsContact O-N 3.11Å; N400-Q403 PolarHBondContact OD1-N 3.24Å; N400-M404 PolarHBondContact O-N 3.34Å
401P83.9Confident86.9Confident105 Ų10580.5 Ų80.568%0.68243%0.426SS*.Hα-helixtrans-57.4-34.5-176.7-2836.5000114.5M404 I405P401-M404 PolarHBondContact O-N 2.97Å; P401-I405 WeakPolarHBondContact O-CG1 3.49Å; P401-I405 PolarHBondContact O-N 3.46Å; P401-I405 VanDerWaalsContact O-N 3.14Å
402Q81.4Confident86.8Confident133 Ų13381.7 Ų81.762%0.62143%0.431SS*.Hα-helixtrans-70.2-42.4178-162.1713.800111.2N400 M404 I405 T406N400-Q402 VanDerWaalsContact C-N 3.26Å; N400-Q402 PolarHBondContact O-N 2.99Å; N400-Q402 WeakPolarHBondContact OD1-CA 3.24Å; N400-Q402 WeakPolarHBondContact OD1-CB 3.44Å; N400-Q402 PolarHBondContact OD1-N 3.05Å; Q402-M404 VanDerWaalsContact C-N 3.32Å; Q402-M404 PolarHBondContact O-N 2.87Å; Q402-I405 PolarHBondContact O-N 2.95Å; Q402-T406 PolarHBondContact O-N 3.49Å; Q402-T406 PolarHBondContact O-OG1 2.71Å; Q402-T406 VanDerWaalsContact O-OG1 3.11Å
403Q88.3Confident86.3Confident73 Ų7382.9 Ų82.934%0.34144%0.439SS..Hα-helixtrans-63.6-36.4174.8-73.4169.5-36.600112.2L392 L399 N400 T406 L407L392-Q403 HydrophobicContact CD2-CB 3.91Å; L392-Q403 HydrophobicContact CD2-CG 4.08Å; L399-Q403 HydrophobicContact CB-CB 4Å; L399-Q403 HydrophobicContact CD2-CB 4.16Å; L399-Q403 HydrophobicContact CG-CB 4.45Å; N400-Q403 VanDerWaalsContact CG-OE1 3.29Å; N400-Q403 PolarHBondContact ND2-OE1 3.47Å; N400-Q403 WeakPolarHBondContact O-CB 3.39Å; N400-Q403 PolarHBondContact O-N 3.45Å; N400-Q403 VanDerWaalsContact O-N 3.11Å; N400-Q403 PolarHBondContact OD1-N 3.24Å; Q403-T406 PolarHBondContact O-N 2.86Å; Q403-L407 WeakPolarHBondContact O-CB 3.36Å; Q403-L407 PolarHBondContact O-N 3.1Å
404M87.6Confident86.2Confident84 Ų8482.7 Ų82.741%0.41443%0.433SS..Hα-helixtrans-63.5-38.7172.5-81.8-85-85.300112.8L399 N400 P401 Q402 R408L399-M404 HydrophobicContact CB-CG 3.93Å; L399-M404 HydrophobicContact CD1-CG 4.5Å; N400-M404 PolarHBondContact O-N 3.34Å; P401-M404 PolarHBondContact O-N 2.97Å; Q402-M404 VanDerWaalsContact C-N 3.32Å; Q402-M404 PolarHBondContact O-N 2.87Å; M404-R408 PolarHBondContact O-N 3.01Å
405I87.7Confident86Confident84 Ų8477.9 Ų77.943%0.43142%0.418SS..Hα-helixtrans-66.4-48.3173.8-67.3163.9000110.3P401 Q402 L407 R408 Q409P401-I405 WeakPolarHBondContact O-CG1 3.49Å; P401-I405 PolarHBondContact O-N 3.46Å; P401-I405 VanDerWaalsContact O-N 3.14Å; Q402-I405 PolarHBondContact O-N 2.95Å; I405-L407 PolarHBondContact O-N 2.99Å; I405-R408 PolarHBondContact O-N 2.87Å; I405-Q409 WeakPolarHBondContact O-CG 3.33Å; I405-Q409 PolarHBondContact O-N 2.86Å
406T85.6Confident85.5Confident45 Ų4577.3 Ų77.328%0.27642%0.417SS..Hα-helixtrans-59.3-43.4177.7-56.80000112.1L388 L392 Q402 Q403 R408 Q409 L410L388-T406 HydrophobicContact CD2-CG2 4.22Å; L392-T406 HydrophobicContact CD1-CG2 3.97Å; Q402-T406 PolarHBondContact O-N 3.49Å; Q402-T406 PolarHBondContact O-OG1 2.71Å; Q402-T406 VanDerWaalsContact O-OG1 3.11Å; Q403-T406 PolarHBondContact O-N 2.86Å; T406-R408 VanDerWaalsContact C-N 3.34Å; T406-R408 PolarHBondContact O-N 3.35Å; T406-Q409 PolarHBondContact O-N 3.26Å; T406-L410 HydrophobicContact CG2-CD1 3.95Å; T406-L410 HydrophobicContact CG2-CG 4.5Å; T406-L410 WeakPolarHBondContact O-CB 3.42Å; T406-L410 VanDerWaalsContact O-CG 3.27Å; T406-L410 WeakPolarHBondContact O-CG 2.7Å; T406-L410 PolarHBondContact O-N 2.81Å
407L92.1Very high85.1Confident8 Ų876.3 Ų76.34%0.04241%0.408CS..Hα-helixtrans-59.3-45.3176.2175.757.7000111.2M389 L392 N393 V396 L399 Q403 I405 L410 Q411M389-L407 HydrophobicContact CG-CD1 4.43Å; L392-L407 HydrophobicContact CB-CB 4.16Å; L392-L407 HydrophobicContact CB-CD1 3.9Å; L392-L407 HydrophobicContact CB-CD2 4.46Å; L392-L407 HydrophobicContact CB-CG 4.39Å; L392-L407 HydrophobicContact CD1-CB 4.16Å; N393-L407 HydrophobicContact CB-CD1 4.02Å; V396-L407 HydrophobicContact CG2-CD2 4.15Å; L399-L407 HydrophobicContact CD1-CB 4.48Å; L399-L407 HydrophobicContact CD1-CD2 3.73Å; Q403-L407 WeakPolarHBondContact O-CB 3.36Å; Q403-L407 PolarHBondContact O-N 3.1Å; I405-L407 PolarHBondContact O-N 2.99Å; L407-L410 PolarHBondContact O-N 3.49Å; L407-Q411 HydrophobicContact CD1-CG 4.03Å; L407-Q411 HydrophobicContact CG-CG 4.46Å; L407-Q411 WeakPolarHBondContact O-CB 3.45Å; L407-Q411 VanDerWaalsContact O-CG 3.3Å; L407-Q411 WeakPolarHBondContact O-CG 3.49Å; L407-Q411 PolarHBondContact O-N 3.09Å
408R87.9Confident84.8Confident148 Ų14876.3 Ų76.356%0.55839%0.389SS*.Hα-helixtrans-63.5-45.9-180-166179.7-61.2173.72.1112M404 I405 T406 L410 Q411 E412M404-R408 PolarHBondContact O-N 3.01Å; I405-R408 PolarHBondContact O-N 2.87Å; T406-R408 VanDerWaalsContact C-N 3.34Å; T406-R408 PolarHBondContact O-N 3.35Å; R408-L410 VanDerWaalsContact C-N 3.32Å; R408-L410 PolarHBondContact O-N 3.38Å; R408-Q411 PolarHBondContact O-N 3.2Å; R408-E412 WeakPolarHBondContact CG-OE1 3.36Å; R408-E412 WeakPolarHBondContact O-CB 3.45Å; R408-E412 WeakPolarHBondContact O-CG 3.45Å; R408-E412 PolarHBondContact O-N 3.31Å
409Q85.8Confident84.1Confident110 Ų11076.2 Ų76.251%0.51438%0.384SS..Hα-helixtrans-60.6-38.9176.4-71.1175.6-16.200112.7I405 T406 S413I405-Q409 WeakPolarHBondContact O-CG 3.33Å; I405-Q409 PolarHBondContact O-N 2.86Å; T406-Q409 PolarHBondContact O-N 3.26Å; Q409-S413 WeakPolarHBondContact O-CB 2.8Å; Q409-S413 PolarHBondContact O-N 3.35Å; Q409-S413 PolarHBondContact O-OG 3.05Å
410L89.6Confident82.9Confident13 Ų1376.9 Ų76.97%0.06839%0.387CS..Hα-helixtrans-68.8-42.2175.8-70.1169.1000111.8L381 Q385 L388 M389 L392 T406 L407 R408 S413 Y414L381-L410 HydrophobicContact CD2-CD2 3.78Å; Q385-L410 HydrophobicContact CB-CD2 3.9Å; Q385-L410 HydrophobicContact CG-CD2 4.26Å; L388-L410 HydrophobicContact CB-CD1 4.37Å; L388-L410 HydrophobicContact CD2-CD1 4.09Å; L388-L410 HydrophobicContact CG-CD1 3.96Å; M389-L410 HydrophobicContact CB-CB 4.02Å; M389-L410 HydrophobicContact CB-CD1 4.08Å; M389-L410 HydrophobicContact CG-CB 3.94Å; M389-L410 HydrophobicContact SD-CB 4.3Å; L392-L410 HydrophobicContact CD1-CD1 4.17Å; T406-L410 HydrophobicContact CG2-CD1 3.95Å; T406-L410 HydrophobicContact CG2-CG 4.5Å; T406-L410 WeakPolarHBondContact O-CB 3.42Å; T406-L410 VanDerWaalsContact O-CG 3.27Å; T406-L410 WeakPolarHBondContact O-CG 2.7Å; T406-L410 PolarHBondContact O-N 2.81Å; L407-L410 PolarHBondContact O-N 3.49Å; R408-L410 VanDerWaalsContact C-N 3.32Å; R408-L410 PolarHBondContact O-N 3.38Å; L410-S413 PolarHBondContact O-N 3.14Å; L410-Y414 WeakPolarHBondContact O-CB 3.47Å; L410-Y414 PolarHBondContact O-N 3.49Å
411Q88.8Confident81.3Confident78 Ų7875.2 Ų75.236%0.36439%0.388SS..Hα-helixtrans-63.5-43.2176-74.6172.3-16.600112.2M389 N393 L407 R408 Y414 A415M389-Q411 HydrophobicContact SD-CG 4.5Å; N393-Q411 PolarHBondContact OD1-NE2 3.2Å; L407-Q411 HydrophobicContact CD1-CG 4.03Å; L407-Q411 HydrophobicContact CG-CG 4.46Å; L407-Q411 WeakPolarHBondContact O-CB 3.45Å; L407-Q411 VanDerWaalsContact O-CG 3.3Å; L407-Q411 WeakPolarHBondContact O-CG 3.49Å; L407-Q411 PolarHBondContact O-N 3.09Å; R408-Q411 PolarHBondContact O-N 3.2Å; Q411-Y414 PolarHBondContact O-N 2.9Å; Q411-A415 WeakPolarHBondContact O-CB 3.32Å; Q411-A415 PolarHBondContact O-N 2.96Å
412E84.2Confident80.1Confident113 Ų11377 Ų7753%0.52838%0.384SS..Hα-helixtrans-61.4-46.8175.1-73.6166.3-176.300111.2R408 Y414 A415 V416R408-E412 WeakPolarHBondContact CG-OE1 3.36Å; R408-E412 WeakPolarHBondContact O-CB 3.45Å; R408-E412 WeakPolarHBondContact O-CG 3.45Å; R408-E412 PolarHBondContact O-N 3.31Å; E412-Y414 VanDerWaalsContact C-N 3.34Å; E412-Y414 PolarHBondContact O-N 3.21Å; E412-A415 WeakPolarHBondContact O-CB 3.41Å; E412-A415 PolarHBondContact O-N 3.28Å; E412-V416 PolarHBondContact O-N 2.61Å; E412-V416 VanDerWaalsContact O-N 3.1Å
413S79.8Confident78.6Confident36 Ų3673.2 Ų73.225%0.25237%0.373SS..Hα-helixtrans-60.1-42176-60.90000112.5Q409 L410 V416 M417Q409-S413 WeakPolarHBondContact O-CB 2.8Å; Q409-S413 PolarHBondContact O-N 3.35Å; Q409-S413 PolarHBondContact O-OG 3.05Å; L410-S413 PolarHBondContact O-N 3.14Å; S413-V416 PolarHBondContact O-N 3.38Å; S413-M417 PolarHBondContact O-N 3.37Å; S413-M417 VanDerWaalsContact O-N 3.12Å
414Y85.5Confident76.6Confident86 Ų8674.1 Ų74.134%0.33738%0.38SS..Hα-helixtrans-67.3-36.5176.9-174.9-122.2000112.3L381 L386 M389 L410 Q411 E412 M417 L418L381-Y414 HydrophobicContact CD1-CD2 4.29Å; L381-Y414 HydrophobicContact CD1-CG 4.48Å; L386-Y414 HydrophobicContact CD2-CD2 3.97Å; L386-Y414 HydrophobicContact CD2-CE2 4.14Å; M389-Y414 HydrophobicContact CE-CD1 3.85Å; M389-Y414 HydrophobicContact CE-CD2 4.25Å; M389-Y414 HydrophobicContact CE-CE1 4.19Å; M389-Y414 HydrophobicContact CE-CG 3.88Å; M389-Y414 HydrophobicContact SD-CD1 4.22Å; M389-Y414 HydrophobicContact SD-CG 4.09Å; L410-Y414 WeakPolarHBondContact O-CB 3.47Å; L410-Y414 PolarHBondContact O-N 3.49Å; Q411-Y414 PolarHBondContact O-N 2.9Å; E412-Y414 VanDerWaalsContact C-N 3.34Å; E412-Y414 PolarHBondContact O-N 3.21Å; Y414-M417 HydrophobicContact CD2-CE 4.34Å; Y414-M417 HydrophobicContact CD2-SD 4.34Å; Y414-M417 PolarHBondContact O-N 2.97Å; Y414-L418 HydrophobicContact CD1-CD1 3.95Å; Y414-L418 HydrophobicContact CE1-CD1 3.59Å; Y414-L418 HydrophobicContact CE1-CG 4.39Å; Y414-L418 HydrophobicContact CE2-CD1 4.37Å; Y414-L418 HydrophobicContact CE2-CG 4.32Å; Y414-L418 HydrophobicContact CG-CD1 4.49Å; Y414-L418 WeakPolarHBondContact O-CG 3.28Å; Y414-L418 PolarHBondContact O-N 3.34Å
415A83.1Confident74.5Confident45 Ų4575.7 Ų75.737%0.37239%0.388SS..Hα-helixtrans-64.2-40.4174.900000112.2Q411 E412 L418 Q419Q411-A415 WeakPolarHBondContact O-CB 3.32Å; Q411-A415 PolarHBondContact O-N 2.96Å; E412-A415 WeakPolarHBondContact O-CB 3.41Å; E412-A415 PolarHBondContact O-N 3.28Å; A415-L418 PolarHBondContact O-N 3.4Å; A415-Q419 WeakPolarHBondContact O-CG 3.38Å; A415-Q419 PolarHBondContact O-N 3.12Å; A415-Q419 VanDerWaalsContact O-N 3.13Å
416V75.1Confident72.7Confident64 Ų6480.8 Ų80.839%0.38840%0.402SS..Hα-helixtrans-62.8-47.2174.3173.80000111.1V379 E412 S413 L418 Q419 Q420V379-V416 HydrophobicContact CB-CG1 4.32Å; V379-V416 HydrophobicContact CG2-CG1 3.92Å; E412-V416 PolarHBondContact O-N 2.61Å; E412-V416 VanDerWaalsContact O-N 3.1Å; S413-V416 PolarHBondContact O-N 3.38Å; V416-L418 VanDerWaalsContact C-N 3.31Å; V416-L418 PolarHBondContact O-N 3.02Å; V416-Q419 PolarHBondContact O-N 3.4Å; V416-Q420 HydrophobicContact CG1-CG 4.44Å; V416-Q420 PolarHBondContact O-N 3.22Å
417M76Confident70.8Confident51 Ų5182.8 Ų82.825%0.25141%0.414SS..Hα-helixtrans-55.2-45175.8-171.6-155.7-62.600112V379 L381 S413 Y414 Q419 Q420 G421V379-M417 WeakPolarHBondContact O-CE 3.22Å; L381-M417 HydrophobicContact CB-CE 3.75Å; L381-M417 HydrophobicContact CD1-CE 4.11Å; L381-M417 HydrophobicContact CG-CE 3.95Å; S413-M417 PolarHBondContact O-N 3.37Å; S413-M417 VanDerWaalsContact O-N 3.12Å; Y414-M417 HydrophobicContact CD2-CE 4.34Å; Y414-M417 HydrophobicContact CD2-SD 4.34Å; Y414-M417 PolarHBondContact O-N 2.97Å; M417-Q419 VanDerWaalsContact C-N 3.28Å; M417-Q419 PolarHBondContact O-N 3.04Å; M417-Q420 PolarHBondContact O-N 3.13Å; M417-G421 PolarHBondContact O-N 3.43Å
418L76.8Confident68.4Low79 Ų7985.8 Ų85.841%0.41444%0.436SS..Hα-helixtrans-68.4-22178.1-74.5174.7000114Y414 A415 V416 K422Y414-L418 HydrophobicContact CD1-CD1 3.95Å; Y414-L418 HydrophobicContact CE1-CD1 3.59Å; Y414-L418 HydrophobicContact CE1-CG 4.39Å; Y414-L418 HydrophobicContact CE2-CD1 4.37Å; Y414-L418 HydrophobicContact CE2-CG 4.32Å; Y414-L418 HydrophobicContact CG-CD1 4.49Å; Y414-L418 WeakPolarHBondContact O-CG 3.28Å; Y414-L418 PolarHBondContact O-N 3.34Å; A415-L418 PolarHBondContact O-N 3.4Å; V416-L418 VanDerWaalsContact C-N 3.31Å; V416-L418 PolarHBondContact O-N 3.02Å; L418-K422 WeakPolarHBondContact O-CD 3.31Å; L418-K422 WeakPolarHBondContact O-CG 3.36Å
419Q72.4Confident66.2Low140 Ų14083.5 Ų83.565%0.65443%0.431SS*.Hα-helixtrans-80.3-46.2171.7-70.4-178.520.500111.2A415 V416 M417 G421 K422 S423A415-Q419 WeakPolarHBondContact O-CG 3.38Å; A415-Q419 PolarHBondContact O-N 3.12Å; A415-Q419 VanDerWaalsContact O-N 3.13Å; V416-Q419 PolarHBondContact O-N 3.4Å; M417-Q419 VanDerWaalsContact C-N 3.28Å; M417-Q419 PolarHBondContact O-N 3.04Å; Q419-G421 VanDerWaalsContact C-N 3.31Å; Q419-G421 PolarHBondContact O-N 3.22Å; Q419-K422 PolarHBondContact O-N 3.32Å; Q419-S423 PolarHBondContact O-N 3.19Å
420Q60.2Low64.4Low43 Ų4383.5 Ų83.520%0.20143%0.431CS..Hα-helixtrans-58.9-39.9176.3-70.8178.1-41.200112.2K376 S377 V416 M417 K422 S423 N424K376-Q420 PolarHBondContact O-NE2 2.59Å; S377-Q420 PolarHBondContact O-NE2 2.92Å; V416-Q420 HydrophobicContact CG1-CG 4.44Å; V416-Q420 PolarHBondContact O-N 3.22Å; M417-Q420 PolarHBondContact O-N 3.13Å; Q420-K422 VanDerWaalsContact C-N 3.25Å; Q420-K422 PolarHBondContact O-N 2.93Å; Q420-S423 WeakPolarHBondContact CA-OG 3.49Å; Q420-S423 PolarHBondContact O-N 2.87Å; Q420-S423 PolarHBondContact O-OG 2.68Å; Q420-N424 PolarHBondContact O-N 2.86Å; Q420-N424 VanDerWaalsContact O-N 3.17Å; Q420-N424 PolarHBondContact O-OD1 2.87Å
421G54.9Low62.4Low42 Ų4287.5 Ų87.543%0.43346%0.456SS..Hα-helixtrans-61.1-31.7173.300000113.8M417 Q419 M425M417-G421 PolarHBondContact O-N 3.43Å; Q419-G421 VanDerWaalsContact C-N 3.31Å; Q419-G421 PolarHBondContact O-N 3.22Å; G421-M425 VanDerWaalsContact O-CG 3.3Å; G421-M425 WeakPolarHBondContact O-CG 3.41Å; G421-M425 PolarHBondContact O-N 2.85Å
422K59Low60.4Low141 Ų14186.8 Ų86.861%0.61346%0.46SS*.Hα-helixtrans-83.7-29.1-179.6-71.1172.8-174.8173.60113.4L418 Q419 Q420 R426L418-K422 WeakPolarHBondContact O-CD 3.31Å; L418-K422 WeakPolarHBondContact O-CG 3.36Å; Q419-K422 PolarHBondContact O-N 3.32Å; Q420-K422 VanDerWaalsContact C-N 3.25Å; Q420-K422 PolarHBondContact O-N 2.93Å; K422-R426 WeakPolarHBondContact O-CG 3.2Å
423S49.9Very low58.7Low55 Ų5586.8 Ų86.839%0.38546%0.458SS..Hα-helixtrans-68.5-45.3170.550.60000111.2Q419 Q420 M425 R426 T427Q419-S423 PolarHBondContact O-N 3.19Å; Q420-S423 WeakPolarHBondContact CA-OG 3.49Å; Q420-S423 PolarHBondContact O-N 2.87Å; Q420-S423 PolarHBondContact O-OG 2.68Å; S423-M425 VanDerWaalsContact C-N 3.34Å; S423-M425 PolarHBondContact O-N 2.8Å; S423-R426 WeakPolarHBondContact O-CB 3.44Å; S423-R426 PolarHBondContact O-N 2.81Å; S423-T427 PolarHBondContact O-N 3.08Å; S423-T427 PolarHBondContact O-OG1 3.03Å
424N47.5Very low57.1Low91 Ų9193.3 Ų93.349%0.48748%0.477SS..Hα-helixtrans-73.5-27.5-171.2-64.612.8000112.3Q420 T427 S428Q420-N424 PolarHBondContact O-N 2.86Å; Q420-N424 VanDerWaalsContact O-N 3.17Å; Q420-N424 PolarHBondContact O-OD1 2.87Å; N424-T427 PolarHBondContact O-OG1 3.41Å; N424-S428 WeakPolarHBondContact O-CB 3.21Å; N424-S428 PolarHBondContact O-N 2.82Å
425M43.1Very low55.2Low118 Ų11894.6 Ų94.658%0.58149%0.486SS*.Hα-helixtrans-64.6-39.1166.6-73.9-10761.500112.5G421 S423 E429G421-M425 VanDerWaalsContact O-CG 3.3Å; G421-M425 WeakPolarHBondContact O-CG 3.41Å; G421-M425 PolarHBondContact O-N 2.85Å; S423-M425 VanDerWaalsContact C-N 3.34Å; S423-M425 PolarHBondContact O-N 2.8Å; M425-E429 WeakPolarHBondContact O-CB 3.25Å; M425-E429 PolarHBondContact O-N 2.84Å
426R48.7Very low53.4Low191 Ų19195.8 Ų95.872%0.72149%0.486SS*.Hα-helixtrans-71-43-179.4-73175.7173.6-171.9-2.4112.5K422 S423 E429 E430K422-R426 WeakPolarHBondContact O-CG 3.2Å; S423-R426 WeakPolarHBondContact O-CB 3.44Å; S423-R426 PolarHBondContact O-N 2.81Å; R426-E429 PolarHBondContact O-N 2.94Å; R426-E430 PolarHBondContact O-N 2.85Å
427T45.7Very low51.9Low86 Ų86101 Ų10153%0.52850%0.503SS..Hα-helixtrans-68.2-41.6178.252.50000111.9S423 N424 E429 E430 V431S423-T427 PolarHBondContact O-N 3.08Å; S423-T427 PolarHBondContact O-OG1 3.03Å; N424-T427 PolarHBondContact O-OG1 3.41Å; T427-E429 PolarHBondContact O-N 2.97Å; T427-E430 PolarHBondContact O-N 3.44Å; T427-V431 WeakPolarHBondContact O-CG2 3.49Å; T427-V431 PolarHBondContact O-N 3.5Å
428S41.9Very low50.3Low72 Ų72109.3 Ų109.350%0.50353%0.532SS..Hα-helixtrans-55.7-47.6170.8176.70000112N424 E430 S432N424-S428 WeakPolarHBondContact O-CB 3.21Å; N424-S428 PolarHBondContact O-N 2.82Å; S428-E430 PolarHBondContact O-N 2.82Å; S428-S432 VanDerWaalsContact O-CB 3.28Å; S428-S432 WeakPolarHBondContact O-CB 3.4Å; S428-S432 PolarHBondContact O-N 3.13Å
429E43Very low48.7Very low100 Ų100112.3 Ų112.347%0.46754%0.542SS..Hα-helixtrans-60.9-41.5174.9-88.4-167.2-156.400113M425 R426 T427 K433M425-E429 WeakPolarHBondContact O-CB 3.25Å; M425-E429 PolarHBondContact O-N 2.84Å; R426-E429 PolarHBondContact O-N 2.94Å; T427-E429 PolarHBondContact O-N 2.97Å; E429-K433 VanDerWaalsContact O-CB 3.27Å; E429-K433 WeakPolarHBondContact O-CB 3.31Å; E429-K433 VanDerWaalsContact O-CD 3.25Å; E429-K433 WeakPolarHBondContact O-CD 3.44Å; E429-K433 WeakPolarHBondContact O-CG 3.4Å; E429-K433 PolarHBondContact O-N 3.33Å; E429-K433 WeakPolarHBondContact OE2-CE 3.29Å; E429-K433 IonicContact OE2-NZ 2.68Å; E429-K433 PolarHBondContact OE2-NZ 2.64Å
430E46.3Very low47.1Very low110 Ų110113.2 Ų113.251%0.51454%0.539SS..Hα-helixtrans-70.8-40.5-179-75-155.6176.900113.8R426 T427 S428 K433 R434R426-E430 PolarHBondContact O-N 2.85Å; T427-E430 PolarHBondContact O-N 3.44Å; S428-E430 PolarHBondContact O-N 2.82Å; E430-K433 PolarHBondContact O-N 3.1Å; E430-R434 WeakPolarHBondContact O-CB 3.36Å; E430-R434 WeakPolarHBondContact O-CG 3.35Å; E430-R434 PolarHBondContact O-N 3.04Å; E430-R434 IonicContact OE2-NH2 2.77Å
431V49.1Very low46Very low96 Ų96117.1 Ų117.158%0.58257%0.566SS**Hα-helixtrans-63.6-46.5174.8174.80000109.9T427 K433 R434 E435T427-V431 WeakPolarHBondContact O-CG2 3.49Å; T427-V431 PolarHBondContact O-N 3.5Å; V431-K433 PolarHBondContact O-N 3.14Å; V431-R434 PolarHBondContact O-N 2.9Å; V431-R434 VanDerWaalsContact O-N 3.12Å; V431-E435 PolarHBondContact O-N 2.89Å
432S46.5Very low45Very low63 Ų63125.8 Ų125.844%0.44159%0.586SS.*Hα-helixtrans-59.4-43.6175.1-174.40000112.1S428 R434 E435 L436S428-S432 VanDerWaalsContact O-CB 3.28Å; S428-S432 WeakPolarHBondContact O-CB 3.4Å; S428-S432 PolarHBondContact O-N 3.13Å; S432-R434 VanDerWaalsContact C-N 3.33Å; S432-R434 PolarHBondContact O-N 3.45Å; S432-E435 PolarHBondContact O-N 3.41Å; S432-L436 WeakPolarHBondContact O-CB 3.32Å; S432-L436 WeakPolarHBondContact O-CD1 3.49Å; S432-L436 PolarHBondContact O-N 2.83Å
433K48.6Very low43.7Very low114 Ų114130.7 Ų130.750%0.49660%0.6SS.*Hα-helixtrans-63.5-33.2174.7-73.4161.9-165.4171.10113E429 E430 V431 K437E429-K433 VanDerWaalsContact O-CB 3.27Å; E429-K433 WeakPolarHBondContact O-CB 3.31Å; E429-K433 VanDerWaalsContact O-CD 3.25Å; E429-K433 WeakPolarHBondContact O-CD 3.44Å; E429-K433 WeakPolarHBondContact O-CG 3.4Å; E429-K433 PolarHBondContact O-N 3.33Å; E429-K433 WeakPolarHBondContact OE2-CE 3.29Å; E429-K433 IonicContact OE2-NZ 2.68Å; E429-K433 PolarHBondContact OE2-NZ 2.64Å; E430-K433 PolarHBondContact O-N 3.1Å; V431-K433 PolarHBondContact O-N 3.14Å; K433-K437 WeakPolarHBondContact O-CB 3.28Å; K433-K437 WeakPolarHBondContact O-CG 3.41Å; K433-K437 PolarHBondContact O-N 2.67Å
434R46.8Very low42.6Very low173 Ų173132.8 Ų132.865%0.65361%0.614SS**Hα-helixtrans-74.6-42.4176.9-73.7177.2-172.1-163.45.7112.2E430 V431 S432 K437 R438E430-R434 WeakPolarHBondContact O-CB 3.36Å; E430-R434 WeakPolarHBondContact O-CG 3.35Å; E430-R434 PolarHBondContact O-N 3.04Å; E430-R434 IonicContact OE2-NH2 2.77Å; V431-R434 PolarHBondContact O-N 2.9Å; V431-R434 VanDerWaalsContact O-N 3.12Å; S432-R434 VanDerWaalsContact C-N 3.33Å; S432-R434 PolarHBondContact O-N 3.45Å; R434-K437 PolarHBondContact O-N 3.19Å; R434-R438 PolarHBondContact O-N 2.76Å
435E45.1Very low41.9Very low112 Ų112135.9 Ų135.952%0.52363%0.629SS.*Hα-helixtrans-67.5-42.8174.4-73.5-131.9116.400112.4V431 S432 K437 R438 K439V431-E435 PolarHBondContact O-N 2.89Å; S432-E435 PolarHBondContact O-N 3.41Å; E435-K437 VanDerWaalsContact C-N 3.3Å; E435-K437 PolarHBondContact O-N 3.03Å; E435-R438 PolarHBondContact O-N 2.83Å; E435-R438 VanDerWaalsContact O-N 3.1Å; E435-K439 PolarHBondContact O-N 2.74Å; E435-K439 VanDerWaalsContact O-N 3.07Å
436L44.9Very low41.4Very low70 Ų70139.1 Ų139.137%0.36664%0.64SS.*Hα-helixtrans-63-35173.1-95.464.1000111.6S432 R438 K439 R440S432-L436 WeakPolarHBondContact O-CB 3.32Å; S432-L436 WeakPolarHBondContact O-CD1 3.49Å; S432-L436 PolarHBondContact O-N 2.83Å; L436-R438 VanDerWaalsContact C-N 3.3Å; L436-R438 PolarHBondContact O-N 2.67Å; L436-K439 PolarHBondContact O-N 3.37Å; L436-R440 WeakPolarHBondContact O-CB 3.28Å; L436-R440 WeakPolarHBondContact O-CG 3.23Å; L436-R440 PolarHBondContact O-N 3.41Å
437K44.3Very low40.5Very low173 Ų173136.5 Ų136.575%0.75264%0.64SS**Hα-helixtrans-63.2-31.8172.4-93-173.6172.9-177.20113.2K433 R434 E435 T441K433-K437 WeakPolarHBondContact O-CB 3.28Å; K433-K437 WeakPolarHBondContact O-CG 3.41Å; K433-K437 PolarHBondContact O-N 2.67Å; R434-K437 PolarHBondContact O-N 3.19Å; E435-K437 VanDerWaalsContact C-N 3.3Å; E435-K437 PolarHBondContact O-N 3.03Å; K437-T441 PolarHBondContact O-OG1 3.02Å
438R42.7Very low39.7Very low227 Ų227139.8 Ų139.886%0.85765%0.647SS**Hα-helixtrans-79.8-22.3175-80.4-177.3166.9172.6-4114R434 E435 L436R434-R438 PolarHBondContact O-N 2.76Å; E435-R438 PolarHBondContact O-N 2.83Å; E435-R438 VanDerWaalsContact O-N 3.1Å; L436-R438 VanDerWaalsContact C-N 3.3Å; L436-R438 PolarHBondContact O-N 2.67Å
439K43.1Very low39.1Very low142 Ų142143.4 Ų143.462%0.61766%0.656SS**Hα-helixtrans-97.7-29.7177.9-70.7171-179.5161.40113.9E435 L436 T441 R442E435-K439 PolarHBondContact O-N 2.74Å; E435-K439 VanDerWaalsContact O-N 3.07Å; L436-K439 PolarHBondContact O-N 3.37Å; K439-T441 PolarHBondContact O-N 3.23Å; K439-R442 PolarHBondContact O-N 2.84Å
440R38.3Very low38.5Very low159 Ų159143.2 Ų143.260%0.667%0.665SS**THydrogen-bonded Turntrans-81.71-178.1-74.3-175.4163.2172.8-3116L436 R442L436-R440 WeakPolarHBondContact O-CB 3.28Å; L436-R440 WeakPolarHBondContact O-CG 3.23Å; L436-R440 PolarHBondContact O-N 3.41Å; R440-R442 PolarHBondContact O-N 3.43Å; R440-R442 VanDerWaalsContact O-N 3.16Å
441T36.9Very low37.7Very low125 Ų125144 Ų14477%0.76768%0.678SS**THydrogen-bonded Turntrans-66.5-3.1159.8-15.90000112.2K437 K439K437-T441 PolarHBondContact O-OG1 3.02Å; K439-T441 PolarHBondContact O-N 3.23Å
442R34.7Very low36.7Very low224 Ų224144.6 Ų144.685%0.84568%0.682SS**SBendtrans-124.1117.1161.6-69.8179.9171.8176-3.5109.8K439 R440K439-R442 PolarHBondContact O-N 2.84Å; R440-R442 PolarHBondContact O-N 3.43Å; R440-R442 VanDerWaalsContact O-N 3.16Å
443R30.2Very low35.8Very low243 Ų243150.9 Ų150.992%0.91770%0.696SS**  trans62.8126.6178.1-68-178.9170.5168.2-3.4116.8
444C28.2Very low34.8Very low100 Ų100153.8 Ų153.868%0.67670%0.704SS**  trans-138.2172173.2-167.30000108.6
445L31.4Very low33.8Very low155 Ų155147.3 Ų147.381%0.81269%0.691SS**  trans76.3138.9-163-48.6161.3000112
446K32.6Very low33Very low187 Ų187146.8 Ų146.881%0.81370%0.699SS**  cis-162.1165.3-12.4-100.8-178172.9-176.70107.4
447L30.3Very low32.2Very low136 Ų136147.6 Ų147.671%0.71272%0.716SS**  cis-174.4117.1-35.6-171.573.8000111.6
448K29.1Very low31.4Very low155 Ų155144.9 Ų144.967%0.67472%0.719SS**  trans65.3168.1162-68.1176.7159.9-78.30117.9
449E30Very low30.8Very low147 Ų147138.2 Ų138.269%0.68771%0.712SS**  cis-173.3-171.2-26.3-98.7161.6-171.700107.9
450S30.1Very low30Very low96 Ų96136.3 Ų136.367%0.67172%0.717SS**  -168.2178.7-72.259.80000111.3
451V29.2Very low29.4Very low127 Ų127135.1 Ų135.177%0.7772%0.723SS**  trans82.2154.7167.8-1760000117.5
452T28.6Very low28.9Very low109 Ų109134.9 Ų134.967%0.66972%0.721SS**  -174.6159.2-72.654.40000112.5
453R27.2Very low28.4Very low194 Ų194132.3 Ų132.373%0.73272%0.721SS**  trans88.9129146.3-77173.3175.1-174.10.7124.6
454R26.6Very low28.7Very low176 Ų176125.6 Ų125.666%0.66471%0.709SS**  trans74.1141.5132-66.6173-179.7-169.5-4.8121.1E502 D503R454-E502 WeakPolarHBondContact CA-OE2 3.5Å; R454-D503 VanDerWaalsContact O-OD2 3.07Å
455G27Very low28.5Very low37 Ų37126.4 Ų126.438%0.38172%0.715SS.*  cis179.2129.81700000120.6E502 D503G455-E502 VanDerWaalsContact CA-OE1 3.32Å; G455-E502 WeakPolarHBondContact CA-OE1 3.43Å; G455-D503 PolarHBondContact N-OD2 2.68Å
456S27.5Very low28.3Very low100 Ų100123 Ų12370%0.69971%0.709SS**  trans45.5137.9146.568.20000125.4E502S456-E502 PolarHBondContact N-OE1 2.81Å
457A28.2Very low28Very low88 Ų88122.9 Ų122.973%0.72771%0.712SS**  159.1132.1114.300000118.8
458S27.7Very low27.8Very low116 Ų116124.8 Ų124.881%0.81172%0.719SS**  trans33.5153.714059.80000124.5
459A28.9Very low27.7Very low86 Ų86122.2 Ų122.271%0.71173%0.727SS**  cis-167.9158.60.200000114.3
460S27Very low27.5Very low102 Ų102122.7 Ų122.771%0.71373%0.734SS**  trans50.4165.1137.9890000123.2
461D25.6Very low27.4Very low135 Ų135125 Ų12572%0.72274%0.744SS**  cis-156160.111.7-105.9-47.5000114.7
462T26.2Very low27.2Very low120 Ų120126.4 Ų126.474%0.73675%0.748SS**  trans38.9137.5154.5580000124.1
463M25.3Very low27.1Very low170 Ų170128.4 Ų128.484%0.83775%0.754SS**  cis73.4154.934.6-76.1-72.711200117
464P35.1Very low27Very low102 Ų102127.6 Ų127.666%0.66276%0.762SS**  cis-144-158.7-17.240.7-19.3000116.2
465S26Very low26.8Very low117 Ų117122.5 Ų122.582%0.81875%0.754SS**  trans79.2146.5155.271.10000119.9
466A26.8Very low26.7Very low83 Ų83128.9 Ų128.969%0.68678%0.778SS**  cis-156.8-163.3-800000109.4
467E25.6Very low26.6Very low185 Ų185131.1 Ų131.186%0.86478%0.777SS**  cis-158-136.211.3-158.1129.8-91.700114.9
468M26.3Very low26.5Very low176 Ų176131 Ų13187%0.86777%0.768SS**  trans-97.2157.7-162.4-67.2173162.100119.1
469A27.2Very low26.5Very low101 Ų101128.1 Ų128.184%0.83575%0.748SS**  162.9147.1108.700000117.2
470N26.1Very low26.5Very low156 Ų156127 Ų12783%0.83473%0.733SS**  trans-72.6157.3-173.9-53.9-29.3000117.5
471T27.2Very low26.7Very low144 Ų144123.3 Ų123.388%0.88371%0.705SS**  -167.7165.1108.426.80000113.9
472N25.2Very low27Very low158 Ų158121.9 Ų121.985%0.84570%0.697SS**  trans-76.2142.6-168.5-50.2-31.7000115
473D27Very low27.1Very low151 Ų151124 Ų12481%0.80770%0.699SS**  trans-150.4146.7141.3-127.4-32.5000110.6S475D473-S475 PolarHBondContact O-N 3.09Å; D473-S475 VanDerWaalsContact O-N 3.11Å
474I24Very low27.2Very low176 Ų176120.7 Ų120.790%0.90368%0.684SS**  trans-89.183.7-170.9-55.4-179.5000110.5
475S23.9Very low26.8Very low69 Ų69120.9 Ų120.948%0.48369%0.685SS.*  trans-132149.3-178.7153.70000110.7D473 H477D473-S475 PolarHBondContact O-N 3.09Å; D473-S475 VanDerWaalsContact O-N 3.11Å; S475-H477 VanDerWaalsContact CB-NE2 3.28Å; S475-H477 WeakPolarHBondContact CB-NE2 3.01Å; S475-H477 PolarHBondContact O-CD2 3.08Å; S475-H477 PolarHBondContact O-N 3.4Å; S475-H477 PolarHBondContact OG-CD2 3.04Å; S475-H477 VanDerWaalsContact OG-CD2 3.24Å; S475-H477 PolarHBondContact OG-CE1 3.26Å; S475-H477 PolarHBondContact OG-NE2 3Å
476L25Very low26.9Very low171 Ų171124 Ų12490%0.89569%0.687SS**  trans-75.669179.4-86159.1000111.2T478L476-T478 PolarHBondContact O-N 2.88Å
477H24.7Very low27.2Very low148 Ų148123.9 Ų123.969%0.68568%0.678SS**  trans-75.384.1179.6-73.9-71.9000112.4S475 S479S475-H477 VanDerWaalsContact CB-NE2 3.28Å; S475-H477 WeakPolarHBondContact CB-NE2 3.01Å; S475-H477 PolarHBondContact O-CD2 3.08Å; S475-H477 PolarHBondContact O-N 3.4Å; S475-H477 PolarHBondContact OG-CD2 3.04Å; S475-H477 VanDerWaalsContact OG-CD2 3.24Å; S475-H477 PolarHBondContact OG-CE1 3.26Å; S475-H477 PolarHBondContact OG-NE2 3Å; H477-S479 PolarHBondContact O-N 3.28Å
478T26.6Very low27.7Very low86 Ų86117.6 Ų117.653%0.52865%0.652SS.*  trans-70.496.716952.80000111.1L476L476-T478 PolarHBondContact O-N 2.88Å
479S26.5Very low27.9Very low55 Ų55116.1 Ų116.139%0.38564%0.643SS.*  trans-141.3145170.5-145.20000107.3H477H477-S479 PolarHBondContact O-N 3.28Å
480P28.8Very low28.4Very low61 Ų61118.2 Ų118.240%0.39664%0.635SS.*SBendcis-114.3992936.8-25.6000114.8E483P480-E483 HydrophobicContact CB-CB 4.32Å
481L32.2Very low29Very low25 Ų25112.5 Ų112.513%0.13161%0.605CS.*SBendtrans-96.3-13.1155-87.6166.7000112.5E483 Y774 H785 A786L481-E483 VanDerWaalsContact C-N 3.35Å; L481-Y774 HydrophobicContact CD2-CE1 3.96Å; L481-H785 VanDerWaalsContact CD1-CA 3.45Å; L481-A786 HydrophobicContact CD1-CB 4.38Å
482N30.4Very low29.5Very low105 Ų105110 Ų11056%0.56159%0.586SS**THydrogen-bonded Turntrans-83.6-9.6175.1-67.9-18.5000113.2P1004N482-P1004 WeakPolarHBondContact OD1-CB 3.49Å
483E28.7Very low30.1Very low164 Ų164106.7 Ų106.777%0.76657%0.565SS**THydrogen-bonded Turntrans-11561.1165.5-68.1-167.4175.900110.5P480 L481 P485P480-E483 HydrophobicContact CB-CB 4.32Å; L481-E483 VanDerWaalsContact C-N 3.35Å; E483-P485 WeakPolarHBondContact O-CD 3.42Å
484L28.7Very low30.9Very low101 Ų101102.6 Ų102.653%0.52955%0.552SS.*PPolyproline II helixtrans-58.6125156.1-78.9170.1000107.8Q486L484-Q486 PolarHBondContact O-N 2.84Å
485P25.8Very low31.6Very low106 Ų10698.5 Ų98.569%0.68853%0.528SS*.PPolyproline II helixtrans-54.4134169.2-22.933.4000108.8E483 V487E483-P485 WeakPolarHBondContact O-CD 3.42Å; P485-V487 PolarHBondContact O-N 2.82Å
486Q29.3Very low32.2Very low183 Ų18397.8 Ų97.886%0.85552%0.518SS*.PPolyproline II helixtrans-54.6119.1170.7-73.7-172.5-11.800107.8L484 T488L484-Q486 PolarHBondContact O-N 2.84Å; Q486-T488 PolarHBondContact O-N 3.11Å
487V32.8Very low32.6Very low81 Ų8192.2 Ų92.249%0.49150%0.502SS..  trans-47.6111-175.3176.20000108.2P485 D491 L492P485-V487 PolarHBondContact O-N 2.82Å; V487-D491 HydrophobicContact CG1-CB 4.02Å; V487-L492 HydrophobicContact CG1-CG 4.29Å
488T34.4Very low33.1Very low53 Ų5389.5 Ų89.533%0.32549%0.492SS..  trans-67.8155.9-167.466.80000109.4Q486 E490 D491 L492Q486-T488 PolarHBondContact O-N 3.11Å; T488-E490 PolarHBondContact O-N 3.28Å; T488-E490 VanDerWaalsContact O-N 3.1Å; T488-E490 WeakPolarHBondContact OG1-CB 3.47Å; T488-E490 PolarHBondContact OG1-N 3.25Å; T488-D491 PolarHBondContact O-N 3.24Å; T488-D491 VanDerWaalsContact O-N 3.09Å; T488-D491 PolarHBondContact OG1-N 2.96Å; T488-D491 VanDerWaalsContact OG1-N 3.09Å; T488-L492 PolarHBondContact O-N 3.11Å; T488-L492 VanDerWaalsContact O-N 3.1Å
489Q31.8Very low33.2Very low145 Ų14591.4 Ų91.468%0.67850%0.504SS*.Hα-helixtrans-56.5-26.8171.3-172.6172.6-27.600111.2Q493Q489-Q493 WeakPolarHBondContact O-CB 3.24Å; Q489-Q493 WeakPolarHBondContact O-CG 3.35Å; Q489-Q493 PolarHBondContact O-N 3.16Å; Q489-Q493 PolarHBondContact O-OE1 3.34Å
490E38.1Very low33.5Very low144 Ų14496.3 Ų96.367%0.67353%0.526SS*.Hα-helixtrans-70.3-43.2175.5-49.4175.1129.100112.6T488 L492 Q493 A494T488-E490 PolarHBondContact O-N 3.28Å; T488-E490 VanDerWaalsContact O-N 3.1Å; T488-E490 WeakPolarHBondContact OG1-CB 3.47Å; T488-E490 PolarHBondContact OG1-N 3.25Å; E490-L492 VanDerWaalsContact C-N 3.3Å; E490-L492 PolarHBondContact O-N 3.04Å; E490-Q493 PolarHBondContact O-N 3.11Å; E490-A494 WeakPolarHBondContact O-CB 3.38Å; E490-A494 PolarHBondContact O-N 3.2Å
491D37.9Very low33.5Very low36 Ų3698.6 Ų98.619%0.19354%0.543CS..Hα-helixtrans-65.8-33.8174.2-79.9-31.8000111.5V487 T488 F495 R772V487-D491 HydrophobicContact CG1-CB 4.02Å; T488-D491 PolarHBondContact O-N 3.24Å; T488-D491 VanDerWaalsContact O-N 3.09Å; T488-D491 PolarHBondContact OG1-N 2.96Å; T488-D491 VanDerWaalsContact OG1-N 3.09Å; D491-F495 PolarHBondContact O-N 2.94Å; D491-R772 IonicContact OD1-CZ 3.79Å; D491-R772 IonicContact OD1-NH1 3.76Å; D491-R772 PolarHBondContact OD1-NH1 3.35Å; D491-R772 IonicContact OD1-NH2 2.75Å; D491-R772 IonicContact OD2-NH1 2.61Å
492L37.1Very low33.5Very low93 Ų93102.2 Ų102.249%0.48756%0.559SS.*Hα-helixtrans-69.3-39.8171.3-92.6162.4000112.7V487 T488 E490 F495 L496V487-L492 HydrophobicContact CG1-CG 4.29Å; T488-L492 PolarHBondContact O-N 3.11Å; T488-L492 VanDerWaalsContact O-N 3.1Å; E490-L492 VanDerWaalsContact C-N 3.3Å; E490-L492 PolarHBondContact O-N 3.04Å; L492-F495 PolarHBondContact O-N 3.41Å; L492-L496 WeakPolarHBondContact O-CG 3.49Å; L492-L496 PolarHBondContact O-N 3.42Å
493Q38.1Very low33.3Very low88 Ų88102 Ų10241%0.41156%0.558SS.*Hα-helixtrans-67.2-40.8175.7-78.3164.1-22.900111.8Q489 E490 F495 L496 G497Q489-Q493 WeakPolarHBondContact O-CB 3.24Å; Q489-Q493 WeakPolarHBondContact O-CG 3.35Å; Q489-Q493 PolarHBondContact O-N 3.16Å; Q489-Q493 PolarHBondContact O-OE1 3.34Å; E490-Q493 PolarHBondContact O-N 3.11Å; Q493-F495 VanDerWaalsContact C-N 3.3Å; Q493-F495 PolarHBondContact O-N 2.95Å; Q493-L496 PolarHBondContact O-N 3.47Å; Q493-L496 VanDerWaalsContact O-N 3.12Å; Q493-G497 PolarHBondContact O-N 3.45Å; Q493-G497 VanDerWaalsContact O-N 3.1Å
494A44.8Very low33.3Very low65 Ų65102.7 Ų102.754%0.53757%0.566SS.*Hα-helixtrans-61.5-36.5175.200000112.5E490 L496E490-A494 WeakPolarHBondContact O-CB 3.38Å; E490-A494 PolarHBondContact O-N 3.2Å; A494-L496 VanDerWaalsContact C-N 3.3Å; A494-L496 PolarHBondContact O-N 2.93Å
495F38.6Very low33.2Very low89 Ų89104 Ų10439%0.3958%0.583SS.*THydrogen-bonded Turntrans-77.1-9.3176.1-171.5-101.4000114.4D491 L492 Q493 C777 C1078D491-F495 PolarHBondContact O-N 2.94Å; L492-F495 PolarHBondContact O-N 3.41Å; Q493-F495 VanDerWaalsContact C-N 3.3Å; Q493-F495 PolarHBondContact O-N 2.95Å; F495-C777 HydrophobicContact CD2-CB 4.34Å; F495-C777 HydrophobicContact CE2-CB 4.35Å; F495-C1078 VanDerWaalsContact CE1-SG 3.59Å; F495-C1078 PolarHBondContact O-SG 3.02Å
496L35.3Very low33.3Very low54 Ų54102 Ų10228%0.28358%0.583SS.*THydrogen-bonded Turntrans-112.5-10.5-178.6-69.6172.5000113.9L492 Q493 A494 I498 M1076 C1078L492-L496 WeakPolarHBondContact O-CG 3.49Å; L492-L496 PolarHBondContact O-N 3.42Å; Q493-L496 PolarHBondContact O-N 3.47Å; Q493-L496 VanDerWaalsContact O-N 3.12Å; A494-L496 VanDerWaalsContact C-N 3.3Å; A494-L496 PolarHBondContact O-N 2.93Å; L496-I498 HydrophobicContact CB-CD1 4.23Å; L496-I498 HydrophobicContact CB-CG1 4.21Å; L496-I498 PolarHBondContact O-N 3.28Å; L496-I498 VanDerWaalsContact O-N 3.12Å; L496-M1076 HydrophobicContact CD2-CE 4.35Å; L496-C1078 HydrophobicContact CD2-CB 4.32Å
497G35Very low33.1Very low54 Ų5499 Ų9956%0.55758%0.581SS**THydrogen-bonded Turntrans66.38.4-178.700000115Q493 T499Q493-G497 PolarHBondContact O-N 3.45Å; Q493-G497 VanDerWaalsContact O-N 3.1Å; G497-T499 PolarHBondContact O-N 3.47Å; G497-T499 VanDerWaalsContact O-N 3.15Å
498I33.9Very low32.7Very low92 Ų92102.2 Ų102.247%0.47259%0.594SS.*  trans-86.288.5-176.2-57.6173000109.8L496 M1076L496-I498 HydrophobicContact CB-CD1 4.23Å; L496-I498 HydrophobicContact CB-CG1 4.21Å; L496-I498 PolarHBondContact O-N 3.28Å; L496-I498 VanDerWaalsContact O-N 3.12Å; I498-M1076 HydrophobicContact CD1-CE 4.37Å
499T29.8Very low32.2Very low126 Ų126105.3 Ų105.377%0.77361%0.613SS**  trans-95.893.3155.559.10000109.5G497G497-T499 PolarHBondContact O-N 3.47Å; G497-T499 VanDerWaalsContact O-N 3.15Å
500D32.8Very low32Very low158 Ų158107.3 Ų107.385%0.84562%0.623SS**  trans-176.9140.4139.8-94.2-18.9000109.7
501S29Very low31.3Very low108 Ų108109.4 Ų109.476%0.75563%0.633SS**  trans-121.886.4178.860.90000110.1
502E30.3Very low30.9Very low101 Ų101115.1 Ų115.147%0.47266%0.663SS.*  trans-163.4138167.5-107.7144-14700111.5R454 G455 S456R454-E502 WeakPolarHBondContact CA-OE2 3.5Å; G455-E502 VanDerWaalsContact CA-OE1 3.32Å; G455-E502 WeakPolarHBondContact CA-OE1 3.43Å; S456-E502 PolarHBondContact N-OE1 2.81Å
503D27.8Very low30.2Very low102 Ų102114.3 Ų114.355%0.54567%0.665SS.*  trans51.5112157.8-46.8-42.5000121R454 G455R454-D503 VanDerWaalsContact O-OD2 3.07Å; G455-D503 PolarHBondContact N-OD2 2.68Å
504L28.9Very low29.6Very low177 Ų177120.9 Ų120.993%0.92769%0.686SS**  171.7103.1106.3-90.8165.6000112.6
505S25.9Very low28.9Very low128 Ų128126.6 Ų126.690%0.89570%0.702SS**  trans-101.3105.9161.245.80000109.8
506G27.8Very low28.4Very low66 Ų66131.1 Ų131.168%0.6872%0.721SS**  trans178.5129.4176.800000116.1
507C24.2Very low27.9Very low120 Ų120134.2 Ų134.281%0.81174%0.742SS**  trans60.5109.4166.8-61.50000117.1
508L24.4Very low27.6Very low148 Ų148143.9 Ų143.978%0.77576%0.762SS**  83.698.570.2-74.9170.5000114
509T24.2Very low27.2Very low118 Ų118148.1 Ų148.172%0.72478%0.78SS**  31.5111123.857.90000120.3
510E27.3Very low27.2Very low187 Ų187147.1 Ų147.187%0.87478%0.784SS**  trans-169.2123.9130-103160.2-160.800105.8
511Q24.4Very low26.8Very low188 Ų188148.9 Ų148.988%0.87978%0.784SS**  47.88972.6-73.8-158.9-0.100114.7
512D29.2Very low26.8Very low155 Ų155148.4 Ų148.483%0.82979%0.787SS**  -152.5-170120.7-150.2-16.5000111.1
513S23.1Very low26.7Very low76 Ų76151 Ų15153%0.53180%0.804SS.*  trans-151.5170.9-145.765.60000112.8
514R25.8Very low26.5Very low227 Ų227151.8 Ų151.886%0.85782%0.817SS**  trans68.5109.7168-52.2159.8172.8-170.4-2.1117
515Q29.6Very low26.4Very low185 Ų185149.5 Ų149.586%0.86481%0.811SS**  175.3110.1105.5-90.8176.329.500108.6
516K27.3Very low26.4Very low184 Ų184152.7 Ų152.780%0.881%0.809SS**  8295.782.6-92.1-161171.8-1710115.2
517T25.9Very low26.4Very low118 Ų118154.6 Ų154.672%0.72481%0.812SS**  trans55.2116.6131.456.30000120.3
518R28.1Very low26.4Very low258 Ų258153.7 Ų153.797%0.97481%0.807SS**  -140.2145.1122.8-124.5175.4179.7177.4-1.2110.1
519E25.3Very low26.5Very low181 Ų181153.5 Ų153.585%0.84681%0.812SS**  trans-100.7151-164.2-57.6162.8133.400112.2
520A29.6Very low26.7Very low104 Ų104152 Ų15286%0.8681%0.807SS**  trans-138.5133.2156.600000107.6
521K25.5Very low26.9Very low195 Ų195150.2 Ų150.285%0.84880%0.802SS**  trans-89.8138-172.4-64.7178.6177.4-178.30111.8
522A29.1Very low27.1Very low99 Ų99148.1 Ų148.182%0.81880%0.796SS**  trans-147.6138.7153.500000107.1
523D27.4Very low27.1Very low156 Ų156146.2 Ų146.283%0.83479%0.785SS**  trans-85.4152.7-155-62.3-74.7000115.8
524S23.2Very low27.6Very low117 Ų117147.3 Ų147.382%0.81879%0.789SS**  trans-93.2109.1-173.857.40000113
525V26.1Very low27.8Very low130 Ų130146 Ų14679%0.78879%0.792SS**  trans-138.692.9159.5-173.40000110.4
526F27Very low28Very low195 Ų195139.5 Ų139.586%0.85578%0.775SS**  trans-164.389.3130.1-114.8-71.9000109
527S26.7Very low28.3Very low105 Ų105139.7 Ų139.773%0.73479%0.785SS**  trans-67.2149160.9176.80000108.8
528S25.6Very low29.2Very low102 Ų102137.5 Ų137.571%0.71377%0.774SS**SBendtrans-49.5153.9158.6-46.10000110.8
529T26.6Very low30.4Very low144 Ų144131.4 Ų131.488%0.88377%0.766SS**  trans82.570.4174.6-38.40000116
530S28.9Very low31.9Very low87 Ų87125.5 Ų125.561%0.60874%0.743SS**  trans-15674.3148.6-155.80000112.9L532S530-L532 PolarHBondContact O-N 3.21Å
531L29.7Very low33.6Very low148 Ų148124 Ų12478%0.77572%0.721SS**  trans-77.897.3151.4-88.5168.6000106.8L533L531-L533 PolarHBondContact O-N 3Å
532L29Very low35.7Very low144 Ų144116.7 Ų116.775%0.75469%0.688SS**  trans-68.984.8171.9-93.9162.6000109.4S530 T534S530-L532 PolarHBondContact O-N 3.21Å; L532-T534 PolarHBondContact O-N 3.22Å
533L28.9Very low37.6Very low115 Ų115117.9 Ų117.960%0.60268%0.677SS**  trans-65.595170.1-73.3167.7000109.2L531 E535L531-L533 PolarHBondContact O-N 3Å; L533-E535 PolarHBondContact O-N 3.1Å; L533-E535 VanDerWaalsContact O-N 3.16Å
534T34.1Very low39.9Very low99 Ų99112.1 Ų112.161%0.60765%0.646SS**  trans-69.2103160.639.50000108.5L532 G536L532-T534 PolarHBondContact O-N 3.22Å; T534-G536 PolarHBondContact O-N 2.94Å
535E30.2Very low42.3Very low200 Ų200106.7 Ų106.794%0.93561%0.608SS**  trans-7082.3170.8-68.4-165.4147.500110.2L533L533-E535 PolarHBondContact O-N 3.1Å; L533-E535 VanDerWaalsContact O-N 3.16Å
536G34.2Very low44.3Very low48 Ų48107.3 Ų107.350%0.49560%0.602SS.*  trans-119.1131171.700000110.8T534 S538T534-G536 PolarHBondContact O-N 2.94Å; G536-S538 PolarHBondContact O-N 2.97Å
537N33Very low46.5Very low188 Ų188103.1 Ų103.1100%1.00559%0.588SS**  trans-72.480.4168.6-83.3-26000109.8
538S44.4Very low49.2Very low73 Ų7399.5 Ų99.551%0.5156%0.559SS.*  trans-109.4126.9177.149.40000111.3G536G536-S538 PolarHBondContact O-N 2.97Å
539T53.3Low52.2Low129 Ų12995.2 Ų95.279%0.79153%0.529SS*.  trans-58.5137.2169.247.40000110.5N541T539-N541 PolarHBondContact O-N 3.09Å
540P56.5Low55.3Low58 Ų5888.9 Ų88.938%0.37749%0.49SS..  trans-61.2125.3-175.323.7-33.8000112Y542 A573 L574P540-Y542 HydrophobicContact CB-CD2 4.27Å; P540-Y542 HydrophobicContact CB-CE2 3.66Å; P540-Y542 HydrophobicContact CG-CE2 3.66Å; P540-Y542 WeakPolarHBondContact O-CD2 3.49Å; P540-Y542 PolarHBondContact O-N 3.33Å; P540-A573 CarbonylContact C-O 3.52Å; P540-A573 WeakPolarHBondContact CA-O 3.49Å; P540-A573 WeakPolarHBondContact CB-O 3.43Å; P540-L574 HydrophobicContact CB-CD2 4.47Å
541N65.7Low58Low72 Ų7287.5 Ų87.539%0.38548%0.48SS..  trans-96.886.7-178.5-173.517.2000111.4T539 E543 A573T539-N541 PolarHBondContact O-N 3.09Å; N541-E543 PolarHBondContact ND2-OE2 3.03Å; N541-E543 PolarHBondContact O-N 3.4Å; N541-E543 VanDerWaalsContact OD1-CG 3.24Å; N541-E543 WeakPolarHBondContact OD1-CG 3.39Å; N541-A573 PolarHBondContact N-O 3.14Å
542Y69.8Low60.8Low41 Ų4180.5 Ų80.516%0.16144%0.443CS..  trans-78.167.7170.4-49.2-86.8000110.8P540 A573 D987 Y988 E991 K992P540-Y542 HydrophobicContact CB-CD2 4.27Å; P540-Y542 HydrophobicContact CB-CE2 3.66Å; P540-Y542 HydrophobicContact CG-CE2 3.66Å; P540-Y542 WeakPolarHBondContact O-CD2 3.49Å; P540-Y542 PolarHBondContact O-N 3.33Å; Y542-A573 HydrophobicContact CD1-CB 4.08Å; Y542-A573 HydrophobicContact CE1-CB 4.18Å; Y542-D987 HydrophobicContact CD1-CB 3.88Å; Y542-D987 HydrophobicContact CE1-CB 4.11Å; Y542-Y988 WeakPolarHBondContact O-CD2 3.41Å; Y542-E991 HydrophobicContact CE1-CB 4.01Å; Y542-K992 HydrophobicContact CD1-CB 4.48Å; Y542-K992 HydrophobicContact CD2-CB 3.58Å; Y542-K992 HydrophobicContact CD2-CD 4.08Å; Y542-K992 HydrophobicContact CD2-CG 3.62Å; Y542-K992 HydrophobicContact CE2-CB 3.95Å; Y542-K992 HydrophobicContact CE2-CG 4.19Å; Y542-K992 HydrophobicContact CG-CB 3.85Å; Y542-K992 HydrophobicContact CG-CD 4.33Å; Y542-K992 HydrophobicContact CG-CG 4.2Å; Y542-K992 PolarHBondContact O-NZ 2.61Å
543E69.2Low63.7Low125 Ų12576.8 Ų76.858%0.58443%0.428SS*.  trans-94.8132.5169.3-9217116700110.4N541 K572N541-E543 PolarHBondContact ND2-OE2 3.03Å; N541-E543 PolarHBondContact O-N 3.4Å; N541-E543 VanDerWaalsContact OD1-CG 3.24Å; N541-E543 WeakPolarHBondContact OD1-CG 3.39Å; E543-K572 PolarHBondContact O-NZ 3.02Å
544I75.8Confident66.7Low35 Ų3573.5 Ų73.518%0.17941%0.411CS..  trans-116.4140.7-176.1-65.7-179.5000109.7Q546 M984 V985 Y988 L1036I544-Q546 PolarHBondContact O-N 1.96Å; I544-M984 WeakPolarHBondContact CD1-O 3.37Å; I544-V985 HydrophobicContact CD1-CG2 4.25Å; I544-Y988 HydrophobicContact CD1-CD1 4.23Å; I544-Y988 HydrophobicContact CD1-CD2 4.2Å; I544-Y988 HydrophobicContact CD1-CG 3.7Å; I544-L1036 HydrophobicContact CD1-CD2 3.55Å; I544-L1036 HydrophobicContact CG2-CD2 4.07Å
545P73.7Confident69.5Low3 Ų371.4 Ų71.42%0.01940%0.396CS..  trans-51.2131.7169.5-21.125.7000112.6L547 Y581 E583 M984P545-L547 WeakPolarHBondContact CB-O 3.36Å; P545-L547 PolarHBondContact O-N 3.4Å; P545-Y581 HydrophobicContact CG-CE2 4.12Å; P545-E583 HydrophobicContact CB-CB 4.15Å; P545-E583 HydrophobicContact CG-CB 3.81Å; P545-E583 HydrophobicContact CG-CG 3.76Å; P545-M984 HydrophobicContact CG-CE 3.85Å
546Q67.7Low72.4Confident142 Ų14263 Ų6366%0.66436%0.359SS*.SBendtrans-63.3-24.3179.3-64.4-171.11600113.1I544 N1037I544-Q546 PolarHBondContact O-N 1.96Å; Q546-N1037 VanDerWaalsContact O-CG 3.28Å; Q546-N1037 PolarHBondContact O-ND2 3.09Å; Q546-N1037 PolarHBondContact O-OD1 3.25Å
547L73Confident75.2Confident108 Ų10864.6 Ų64.657%0.56536%0.36SS*.SBendtrans-135144.7165.6-84.993.8000110.7P545 K939P545-L547 WeakPolarHBondContact CB-O 3.36Å; P545-L547 PolarHBondContact O-N 3.4Å; L547-K939 HydrophobicContact CD2-CB 4.33Å; L547-K939 HydrophobicContact CD2-CD 4.3Å
548F85Confident77.9Confident29 Ų2957.8 Ų57.813%0.12732%0.323CS..  trans-77.7133.8162.1178.8-110.8000109.8L550 K939 V950 R977 H981F548-L550 HydrophobicContact CE1-CD2 3.76Å; F548-L550 HydrophobicContact CZ-CD2 4.33Å; F548-K939 PolarHBondContact O-NZ 3.23Å; F548-V950 HydrophobicContact CD1-CG2 4.26Å; F548-V950 HydrophobicContact CE1-CG2 3.68Å; F548-R977 HydrophobicContact CE2-CB 3.69Å; F548-R977 WeakPolarHBondContact CE2-O 3.28Å; F548-R977 HydrophobicContact CZ-CB 3.93Å; F548-H981 HydrophobicContact CD2-CB 3.53Å; F548-H981 AromaticContact CD2-CG 3.49Å; F548-H981 VanDerWaalsContact CD2-CG 3.49Å; F548-H981 AromaticContact CD2-ND1 3.76Å; F548-H981 HydrophobicContact CE2-CB 3.76Å; F548-H981 HydrophobicContact CG-CB 4.44Å
549S88.5Confident80.1Confident12 Ų1259.1 Ų59.18%0.08433%0.332CS..  trans-129.1136.9-178-178.10000113S551 E936 R977S549-S551 VanDerWaalsContact C-N 3.33Å; S549-S551 PolarHBondContact OG-N 2.98Å; S549-S551 PolarHBondContact OG-OG 3.15Å; S549-S551 VanDerWaalsContact OG-OG 3.09Å; S549-E936 VanDerWaalsContact CA-OE2 3.3Å; S549-E936 WeakPolarHBondContact CA-OE2 3.37Å; S549-E936 VanDerWaalsContact CB-OE2 3.24Å; S549-E936 WeakPolarHBondContact CB-OE2 3.28Å; S549-E936 PolarHBondContact OG-OE2 3.02Å; S549-R977 WeakPolarHBondContact O-CD 3.27Å
550L89.9Confident82Confident10 Ų1053.6 Ų53.65%0.05230%0.299CS..SBendtrans-76.5-14.2174.6-59.2-170.4000114.1F548 A932 Y935 E936 M949 V950 V974 R977F548-L550 HydrophobicContact CE1-CD2 3.76Å; F548-L550 HydrophobicContact CZ-CD2 4.33Å; L550-A932 HydrophobicContact CB-CB 4.46Å; L550-A932 HydrophobicContact CD1-CB 3.94Å; L550-Y935 HydrophobicContact CD1-CD1 3.24Å; L550-Y935 HydrophobicContact CD1-CE1 3.55Å; L550-Y935 HydrophobicContact CD1-CG 4Å; L550-Y935 HydrophobicContact CD2-CE1 4.13Å; L550-Y935 HydrophobicContact CG-CD1 3.62Å; L550-Y935 HydrophobicContact CG-CE1 3.6Å; L550-E936 HydrophobicContact CB-CG 4.29Å; L550-E936 WeakPolarHBondContact CG-OE1 3.49Å; L550-E936 VanDerWaalsContact N-CD 3.33Å; L550-E936 PolarHBondContact N-OE1 3.48Å; L550-M949 HydrophobicContact CD1-CB 3.73Å; L550-M949 HydrophobicContact CD1-CG 4.42Å; L550-V950 HydrophobicContact CD2-CG2 4.01Å; L550-V974 HydrophobicContact CB-CG2 4.48Å; L550-V974 HydrophobicContact CD2-CG1 3.75Å; L550-V974 HydrophobicContact CD2-CG2 4.1Å; L550-R977 PolarHBondContact O-NH1 3.47Å; L550-R977 PolarHBondContact O-NH2 2.94Å
551S86.6Confident83.8Confident58 Ų5852.4 Ų52.441%0.40629%0.292SS..SBendtrans-101.8-16.5-175.753.80000114S549 R977S549-S551 VanDerWaalsContact C-N 3.33Å; S549-S551 PolarHBondContact OG-N 2.98Å; S549-S551 PolarHBondContact OG-OG 3.15Å; S549-S551 VanDerWaalsContact OG-OG 3.09Å; S551-R977 VanDerWaalsContact C-NH2 3.32Å; S551-R977 PolarHBondContact O-NH2 3.02Å
552A89Confident85.2Confident1 Ų149 Ų491%0.00827%0.273CS..  trans-44.9127.9-175.700000114.5Y581 D582 V585 R977A552-Y581 HydrophobicContact CB-CD2 3.83Å; A552-Y581 HydrophobicContact CB-CG 4.37Å; A552-D582 WeakPolarHBondContact CB-O 3.31Å; A552-V585 HydrophobicContact CB-CG2 3.54Å; A552-R977 PolarHBondContact O-NE 3.41Å; A552-R977 PolarHBondContact O-NH2 3.32Å
553P90.2Very high86.3Confident67 Ų6753.9 Ų53.944%0.43530%0.298SS..  trans-53.5147.3172.1-26.433.4000112.7Y581 D582P553-Y581 CarbonylContact O-C 3.46Å; P553-Y581 WeakPolarHBondContact O-CA 3.45Å; P553-Y581 VanDerWaalsContact O-CB 3.3Å; P553-Y581 WeakPolarHBondContact O-CB 3.22Å; P553-D582 HydrophobicContact CB-CB 4.46Å; P553-D582 PolarHBondContact O-N 3.45Å
554L91.9Very high87.5Confident45 Ų4552.6 Ų52.624%0.23629%0.292CS..BIsolated β-bridgetrans-96.2135.1177.2-59.4-177.4000110.5L558 K973 I976 R977L554-L558 HydrophobicContact CD1-CD2 3.48Å; L554-L558 VanDerWaalsContact CD1-CD2 3.48Å; L554-K973 HydrophobicContact CD1-CG 4.06Å; L554-I976 HydrophobicContact CD1-CG2 3.75Å; L554-I976 HydrophobicContact CD2-CG2 3.81Å; L554-I976 HydrophobicContact CG-CG2 4.47Å; L554-R977 HydrophobicContact CD2-CG 3.59Å
555N91.7Very high88.4Confident56 Ų5651 Ų5130%0.29928%0.283SS..SBendtrans-92.1-1.7171.4-75.1-75.6000112.7K578 P579 V580 D582N555-K578 HydrophobicContact CB-CB 4.46Å; N555-K578 HydrophobicContact CB-CD 4.47Å; N555-K578 WeakPolarHBondContact OD1-CD 3.5Å; N555-K578 PolarHBondContact OD1-NZ 3.41Å; N555-P579 WeakPolarHBondContact CB-O 3.16Å; N555-P579 PolarHBondContact ND2-O 3.1Å; N555-V580 PolarHBondContact N-O 3.15Å; N555-D582 PolarHBondContact ND2-OD1 3.17Å
556V91.5Very high89.3Confident24 Ų2452 Ų5215%0.14529%0.288CS..SBendtrans-123150.7178.3-57.40000110.8V580 I976V556-V580 HydrophobicContact CG2-CG1 3.78Å; V556-I976 HydrophobicContact CG2-CD1 3.52Å
557P92.5Very high90.5Very high80 Ų8047.6 Ų47.652%0.51928%0.277SS..  trans-70.2153.8177.429.8-35000112.1S559 T560P557-S559 PolarHBondContact O-N 2.9Å; P557-S559 VanDerWaalsContact O-N 3.08Å; P557-T560 WeakPolarHBondContact CD-OG1 3.41Å; P557-T560 WeakPolarHBondContact CG-OG1 3.43Å; P557-T560 WeakPolarHBondContact O-CB 3.46Å; P557-T560 PolarHBondContact O-N 3.12Å; P557-T560 PolarHBondContact O-OG1 3.18Å
558L90.2Very high91.4Very high45 Ų4544.2 Ų44.224%0.23626%0.26CS..THydrogen-bonded Turntrans-64.5-14.8179.3-60.2175.3000114L554 T560 E969 R972 K973L554-L558 HydrophobicContact CD1-CD2 3.48Å; L554-L558 VanDerWaalsContact CD1-CD2 3.48Å; L558-T560 VanDerWaalsContact C-N 3.33Å; L558-E969 HydrophobicContact CD1-CB 4.31Å; L558-E969 HydrophobicContact CD1-CG 3.86Å; L558-R972 PolarHBondContact O-NE 2.99Å; L558-K973 HydrophobicContact CD2-CG 3.59Å
559S90Very high91.7Very high101 Ų10143 Ų4371%0.70626%0.255SS*.THydrogen-bonded Turntrans-79.3-11.717556.60000114P557 S561P557-S559 PolarHBondContact O-N 2.9Å; P557-S559 VanDerWaalsContact O-N 3.08Å; S559-S561 PolarHBondContact O-N 3.39Å
560T93.5Very high91.7Very high14 Ų1446 Ų469%0.08627%0.267CS..  trans-60133.9178.5-66.80000110.7P557 L558 E564 V565 Y1064P557-T560 WeakPolarHBondContact CD-OG1 3.41Å; P557-T560 WeakPolarHBondContact CG-OG1 3.43Å; P557-T560 WeakPolarHBondContact O-CB 3.46Å; P557-T560 PolarHBondContact O-N 3.12Å; P557-T560 PolarHBondContact O-OG1 3.18Å; L558-T560 VanDerWaalsContact C-N 3.33Å; T560-E564 VanDerWaalsContact CA-OE2 3.24Å; T560-E564 WeakPolarHBondContact CA-OE2 3.43Å; T560-E564 HydrophobicContact CG2-CB 3.48Å; T560-E564 VanDerWaalsContact CG2-CB 3.48Å; T560-E564 WeakPolarHBondContact CG2-OE2 3.49Å; T560-V565 HydrophobicContact CG2-CG2 3.95Å; T560-Y1064 VanDerWaalsContact O-CE1 3.26Å; T560-Y1064 WeakPolarHBondContact O-CE1 3.48Å; T560-Y1064 PolarHBondContact O-OH 2.91Å
561S95.2Very high91.6Very high32 Ų3248.3 Ų48.322%0.22428%0.277CS..  trans-77.8163.7-177.878.40000112.7S559 E563 E564 V565 D1065S559-S561 PolarHBondContact O-N 3.39Å; S561-E563 VanDerWaalsContact C-N 3.29Å; S561-E563 PolarHBondContact O-N 2.88Å; S561-E564 PolarHBondContact N-OE2 3.32Å; S561-E564 PolarHBondContact O-N 3.36Å; S561-E564 WeakPolarHBondContact OG-CG 3.21Å; S561-E564 PolarHBondContact OG-N 3.02Å; S561-V565 WeakPolarHBondContact O-CG2 3.44Å; S561-V565 PolarHBondContact O-N 3.12Å; S561-D1065 VanDerWaalsContact CA-OD1 3.26Å; S561-D1065 WeakPolarHBondContact CA-OD1 3.4Å
562G93.9Very high91.6Very high0 Ų046.9 Ų46.90%026%0.264CS..Hα-helixtrans-60.4-39.6177.500000112V565 I566 D1065G562-V565 WeakPolarHBondContact O-CB 3.41Å; G562-V565 PolarHBondContact O-N 3.02Å; G562-I566 WeakPolarHBondContact O-CG1 3.47Å; G562-I566 PolarHBondContact O-N 3.2Å; G562-D1065 VanDerWaalsContact N-CG 3.32Å; G562-D1065 PolarHBondContact N-OD1 3.43Å; G562-D1065 PolarHBondContact N-OD2 2.69Å
563E94.2Very high91.2Very high144 Ų14447.3 Ų47.367%0.67327%0.267SS*.Hα-helixtrans-65.4-40175.4-61.6-165.4149.100112.6S561 I566 A567 I1061S561-E563 VanDerWaalsContact C-N 3.29Å; S561-E563 PolarHBondContact O-N 2.88Å; E563-I566 PolarHBondContact O-N 3.45Å; E563-A567 PolarHBondContact O-N 3.32Å; E563-I1061 HydrophobicContact CG-CG2 4.12Å
564E94.7Very high90.8Very high99 Ų9947.2 Ų47.246%0.46326%0.263SS..Hα-helixtrans-65.1-38175.4-71.6172.9160.800111.9T560 S561 I566 A567 V568T560-E564 VanDerWaalsContact CA-OE2 3.24Å; T560-E564 WeakPolarHBondContact CA-OE2 3.43Å; T560-E564 HydrophobicContact CG2-CB 3.48Å; T560-E564 VanDerWaalsContact CG2-CB 3.48Å; T560-E564 WeakPolarHBondContact CG2-OE2 3.49Å; S561-E564 PolarHBondContact N-OE2 3.32Å; S561-E564 PolarHBondContact O-N 3.36Å; S561-E564 WeakPolarHBondContact OG-CG 3.21Å; S561-E564 PolarHBondContact OG-N 3.02Å; E564-I566 VanDerWaalsContact C-N 3.34Å; E564-I566 PolarHBondContact O-N 2.84Å; E564-A567 WeakPolarHBondContact O-CB 3.16Å; E564-A567 PolarHBondContact O-N 2.92Å; E564-V568 WeakPolarHBondContact O-CG2 3.31Å; E564-V568 PolarHBondContact O-N 2.75Å
565V93.7Very high90.2Very high0 Ų047.7 Ų47.70%028%0.278CS..Hα-helixtrans-58.8-45.4173.2172.70000110.9T560 S561 G562 A567 V568 C569 V580 I976 L979 A980T560-V565 HydrophobicContact CG2-CG2 3.95Å; S561-V565 WeakPolarHBondContact O-CG2 3.44Å; S561-V565 PolarHBondContact O-N 3.12Å; G562-V565 WeakPolarHBondContact O-CB 3.41Å; G562-V565 PolarHBondContact O-N 3.02Å; V565-A567 VanDerWaalsContact C-N 3.34Å; V565-A567 PolarHBondContact O-N 3.35Å; V565-V568 PolarHBondContact O-N 2.69Å; V565-C569 PolarHBondContact O-N 3.09Å; V565-C569 VanDerWaalsContact O-N 3.07Å; V565-C569 PolarHBondContact O-SG 3.5Å; V565-C569 VanDerWaalsContact O-SG 3.37Å; V565-V580 HydrophobicContact CG1-CG1 4.46Å; V565-V580 HydrophobicContact CG1-CG2 4.31Å; V565-I976 HydrophobicContact CG2-CD1 4.04Å; V565-I976 HydrophobicContact CG2-CG1 3.6Å; V565-L979 HydrophobicContact CB-CD2 4.18Å; V565-L979 HydrophobicContact CG1-CB 4.44Å; V565-L979 HydrophobicContact CG1-CD2 4.13Å; V565-L979 HydrophobicContact CG1-CG 4.2Å; V565-A980 HydrophobicContact CG1-CB 3.8Å
566I93.4Very high89.6Confident24 Ų2450.5 Ų50.512%0.12329%0.285CS..Hα-helixtrans-62.8-42.3175.5-57.6-41.3000111G562 E563 E564 V568 C569 K570 L979 Q983 M1057 I1061G562-I566 WeakPolarHBondContact O-CG1 3.47Å; G562-I566 PolarHBondContact O-N 3.2Å; E563-I566 PolarHBondContact O-N 3.45Å; E564-I566 VanDerWaalsContact C-N 3.34Å; E564-I566 PolarHBondContact O-N 2.84Å; I566-V568 PolarHBondContact O-N 2.69Å; I566-C569 PolarHBondContact O-N 3Å; I566-K570 HydrophobicContact CG2-CD 4.45Å; I566-K570 PolarHBondContact O-N 2.96Å; I566-K570 VanDerWaalsContact O-N 3.07Å; I566-L979 HydrophobicContact CD1-CD1 4.3Å; I566-L979 HydrophobicContact CD1-CG 4.16Å; I566-Q983 HydrophobicContact CD1-CB 3.84Å; I566-Q983 HydrophobicContact CD1-CG 3.98Å; I566-Q983 HydrophobicContact CG2-CG 4.08Å; I566-M1057 HydrophobicContact CD1-CE 3.83Å; I566-I1061 HydrophobicContact CD1-CD1 4.5Å; I566-I1061 HydrophobicContact CG1-CD1 3.8Å; I566-I1061 HydrophobicContact CG1-CG1 4.36Å
567A92.7Very high89.3Confident51 Ų5151.8 Ų51.842%0.42129%0.294SS..Hα-helixtrans-61.8-42.8178.300000112.1E563 E564 V565 K570 Q571E563-A567 PolarHBondContact O-N 3.32Å; E564-A567 WeakPolarHBondContact O-CB 3.16Å; E564-A567 PolarHBondContact O-N 2.92Å; V565-A567 VanDerWaalsContact C-N 3.34Å; V565-A567 PolarHBondContact O-N 3.35Å; A567-K570 PolarHBondContact O-N 2.9Å; A567-Q571 WeakPolarHBondContact O-CG 3.45Å; A567-Q571 PolarHBondContact O-N 3.03Å
568V92Very high89Confident36 Ų3654.8 Ų54.822%0.21830%0.299CS..Hα-helixtrans-63-43.2175.4173.50000111.2E564 V565 I566 K570 Q571 K572 C577 V580E564-V568 WeakPolarHBondContact O-CG2 3.31Å; E564-V568 PolarHBondContact O-N 2.75Å; V565-V568 PolarHBondContact O-N 2.69Å; I566-V568 PolarHBondContact O-N 2.69Å; V568-K570 VanDerWaalsContact C-N 3.32Å; V568-K570 PolarHBondContact O-N 3.34Å; V568-Q571 PolarHBondContact O-N 2.76Å; V568-K572 WeakPolarHBondContact O-CB 3.4Å; V568-K572 PolarHBondContact O-N 3.43Å; V568-C577 PolarHBondContact O-SG 3.41Å; V568-C577 VanDerWaalsContact O-SG 3.38Å; V568-V580 HydrophobicContact CB-CG2 3.99Å; V568-V580 HydrophobicContact CG1-CG2 3.6Å
569C90.8Very high88.8Confident3 Ų353.9 Ų53.92%0.0230%0.296CS..Hα-helixtrans-57.1-44.9174.7-68.60000112.1V565 I566 K572 A573 Q983 M984V565-C569 PolarHBondContact O-N 3.09Å; V565-C569 VanDerWaalsContact O-N 3.07Å; V565-C569 PolarHBondContact O-SG 3.5Å; V565-C569 VanDerWaalsContact O-SG 3.37Å; I566-C569 PolarHBondContact O-N 3Å; C569-K572 WeakPolarHBondContact O-CB 3.47Å; C569-K572 PolarHBondContact O-N 2.83Å; C569-A573 PolarHBondContact O-N 2.87Å; C569-Q983 HydrophobicContact CB-CB 4.15Å; C569-Q983 HydrophobicContact CB-CG 3.81Å; C569-M984 HydrophobicContact CB-CG 4.25Å
570K88.5Confident88.8Confident76 Ų7649.1 Ų49.133%0.3326%0.263SS..Hα-helixtrans-69.7-35.5179.2-67.8-172.4176.8-111.90113.3I566 A567 V568 A573 L574 E991I566-K570 HydrophobicContact CG2-CD 4.45Å; I566-K570 PolarHBondContact O-N 2.96Å; I566-K570 VanDerWaalsContact O-N 3.07Å; A567-K570 PolarHBondContact O-N 2.9Å; V568-K570 VanDerWaalsContact C-N 3.32Å; V568-K570 PolarHBondContact O-N 3.34Å; K570-A573 PolarHBondContact O-N 3.25Å; K570-L574 WeakPolarHBondContact O-CG 3.46Å; K570-L574 PolarHBondContact O-N 2.84Å; K570-E991 IonicContact NZ-OE1 3.04Å; K570-E991 PolarHBondContact NZ-OE1 2.89Å
571Q88.3Confident88.7Confident59 Ų5948.6 Ų48.628%0.27626%0.259SS..Hα-helixtrans-70.9-29.8171.5-60.4-56.5-30.400112.2A567 V568 L574 G575 R576A567-Q571 WeakPolarHBondContact O-CG 3.45Å; A567-Q571 PolarHBondContact O-N 3.03Å; V568-Q571 PolarHBondContact O-N 2.76Å; Q571-L574 CarbonylContact O-C 3.56Å; Q571-L574 PolarHBondContact O-N 3.48Å; Q571-G575 PolarHBondContact O-N 3.13Å; Q571-R576 HydrophobicContact CB-CB 4.32Å; Q571-R576 PolarHBondContact O-N 2.97Å
572K85.9Confident88.3Confident28 Ų2850 Ų5012%0.12226%0.264CS..Hα-helixtrans-65.4-43.5171.1-171.9-117.2173.7167.60111.5E543 V568 C569 L574 G575 C577 P579 E583E543-K572 PolarHBondContact O-NZ 3.02Å; V568-K572 WeakPolarHBondContact O-CB 3.4Å; V568-K572 PolarHBondContact O-N 3.43Å; C569-K572 WeakPolarHBondContact O-CB 3.47Å; C569-K572 PolarHBondContact O-N 2.83Å; K572-L574 PolarHBondContact O-N 3.31Å; K572-G575 PolarHBondContact O-N 3.4Å; K572-C577 PolarHBondContact N-SG 3.41Å; K572-C577 VanDerWaalsContact N-SG 3.42Å; K572-P579 HydrophobicContact CD-CB 4.17Å; K572-P579 HydrophobicContact CG-CB 4.19Å; K572-E583 WeakPolarHBondContact CE-OE1 3.29Å; K572-E583 IonicContact NZ-OE1 2.73Å; K572-E583 PolarHBondContact NZ-OE1 2.86Å; K572-E583 IonicContact NZ-OE2 2.93Å; K572-E583 PolarHBondContact NZ-OE2 3.22Å
573A80.2Confident87.7Confident10 Ų1051.8 Ų51.88%0.08327%0.272CS..Hα-helixtrans-60.4-29173.500000112.7P540 N541 Y542 C569 K570 G575P540-A573 CarbonylContact C-O 3.52Å; P540-A573 WeakPolarHBondContact CA-O 3.49Å; P540-A573 WeakPolarHBondContact CB-O 3.43Å; N541-A573 PolarHBondContact N-O 3.14Å; Y542-A573 HydrophobicContact CD1-CB 4.08Å; Y542-A573 HydrophobicContact CE1-CB 4.18Å; C569-A573 PolarHBondContact O-N 2.87Å; K570-A573 PolarHBondContact O-N 3.25Å; A573-G575 VanDerWaalsContact C-N 3.33Å
574L82.4Confident86.9Confident65 Ų6554.1 Ų54.134%0.3428%0.277SS..THydrogen-bonded Turntrans-85.22.7172.2-64.3173.7000114.2P540 K570 Q571 K572 R576P540-L574 HydrophobicContact CB-CD2 4.47Å; K570-L574 WeakPolarHBondContact O-CG 3.46Å; K570-L574 PolarHBondContact O-N 2.84Å; Q571-L574 CarbonylContact O-C 3.56Å; Q571-L574 PolarHBondContact O-N 3.48Å; K572-L574 PolarHBondContact O-N 3.31Å; L574-R576 VanDerWaalsContact C-N 3.33Å; L574-R576 HydrophobicContact CB-CG 4.21Å; L574-R576 PolarHBondContact O-N 2.9Å
575G78.2Confident86Confident54 Ų5451.8 Ų51.856%0.55727%0.269SS*.THydrogen-bonded Turntrans74.413.7179.700000115.5Q571 K572 A573Q571-G575 PolarHBondContact O-N 3.13Å; K572-G575 PolarHBondContact O-N 3.4Å; A573-G575 VanDerWaalsContact C-N 3.33Å
576R81Confident85Confident115 Ų11556.3 Ų56.343%0.43430%0.298SS..SBendtrans-97.1-13.2-167.7-68.4166.9175.5-177.9-3.1115.4Q571 L574Q571-R576 HydrophobicContact CB-CB 4.32Å; Q571-R576 PolarHBondContact O-N 2.97Å; L574-R576 VanDerWaalsContact C-N 3.33Å; L574-R576 HydrophobicContact CB-CG 4.21Å; L574-R576 PolarHBondContact O-N 2.9Å
577C84.6Confident84.1Confident51 Ų5159.1 Ų59.135%0.34532%0.318SS..SBendtrans-148.7168.1179.169.50000112.1V568 K572V568-C577 PolarHBondContact O-SG 3.41Å; V568-C577 VanDerWaalsContact O-SG 3.38Å; K572-C577 PolarHBondContact N-SG 3.41Å; K572-C577 VanDerWaalsContact N-SG 3.42Å
578K85Confident83.3Confident143 Ų14359.2 Ų59.262%0.62231%0.314SS*.  trans-62.4153.3167.7-73.7-169.1172.3-167.60111.3N555N555-K578 HydrophobicContact CB-CB 4.46Å; N555-K578 HydrophobicContact CB-CD 4.47Å; N555-K578 WeakPolarHBondContact OD1-CD 3.5Å; N555-K578 PolarHBondContact OD1-NZ 3.41Å
579P87.7Confident82.3Confident27 Ų2765.8 Ų65.818%0.17534%0.343CS..  trans-64.9157167.829.1-34.8000111.5N555 K572 Y581 E583N555-P579 WeakPolarHBondContact CB-O 3.16Å; N555-P579 PolarHBondContact ND2-O 3.1Å; K572-P579 HydrophobicContact CD-CB 4.17Å; K572-P579 HydrophobicContact CG-CB 4.19Å; P579-Y581 WeakPolarHBondContact CG-O 3.45Å; P579-Y581 PolarHBondContact O-N 3.15Å; P579-E583 HydrophobicContact CB-CG 3.88Å; P579-E583 VanDerWaalsContact CB-OE1 3.31Å; P579-E583 WeakPolarHBondContact CB-OE1 3.4Å; P579-E583 HydrophobicContact CG-CG 3.74Å
580V89.9Confident81.4Confident1 Ų168.7 Ų68.71%0.00636%0.361CS..SBendtrans-57.4-33.6-177.6176.50000112.6N555 V556 V565 V568 I976 A980N555-V580 PolarHBondContact N-O 3.15Å; V556-V580 HydrophobicContact CG2-CG1 3.78Å; V565-V580 HydrophobicContact CG1-CG1 4.46Å; V565-V580 HydrophobicContact CG1-CG2 4.31Å; V568-V580 HydrophobicContact CB-CG2 3.99Å; V568-V580 HydrophobicContact CG1-CG2 3.6Å; V580-I976 HydrophobicContact CG1-CG1 4.26Å; V580-A980 HydrophobicContact CB-CB 3.78Å; V580-A980 HydrophobicContact CG1-CB 3.9Å; V580-A980 HydrophobicContact CG2-CB 3.82Å
581Y91Very high80.8Confident3 Ų367.2 Ų67.21%0.01236%0.36CS..BIsolated β-bridgetrans-137.6160.3176.957.9-90.9000110.1P545 A552 P553 P579 E583 R977 A980 H981 M984P545-Y581 HydrophobicContact CG-CE2 4.12Å; A552-Y581 HydrophobicContact CB-CD2 3.83Å; A552-Y581 HydrophobicContact CB-CG 4.37Å; P553-Y581 CarbonylContact O-C 3.46Å; P553-Y581 WeakPolarHBondContact O-CA 3.45Å; P553-Y581 VanDerWaalsContact O-CB 3.3Å; P553-Y581 WeakPolarHBondContact O-CB 3.22Å; P579-Y581 WeakPolarHBondContact CG-O 3.45Å; P579-Y581 PolarHBondContact O-N 3.15Å; Y581-E583 PolarHBondContact O-N 3.12Å; Y581-R977 HydrophobicContact CD1-CB 3.95Å; Y581-R977 HydrophobicContact CD1-CG 3.95Å; Y581-R977 HydrophobicContact CE1-CB 4.19Å; Y581-R977 HydrophobicContact CG-CB 4.42Å; Y581-R977 HydrophobicContact CG-CG 4.05Å; Y581-A980 HydrophobicContact CD1-CB 4.26Å; Y581-A980 HydrophobicContact CE1-CB 3.9Å; Y581-H981 WeakPolarHBondContact OH-CB 3.11Å; Y581-H981 PolarHBondContact OH-ND1 3Å; Y581-M984 HydrophobicContact CE1-SD 4.45Å
582D86.8Confident79.7Confident62 Ų6270.2 Ų70.233%0.33239%0.387SS..  trans-70.9122.8178.4-73.7-25.2000111A552 P553 N555 Y584A552-D582 WeakPolarHBondContact CB-O 3.31Å; P553-D582 HydrophobicContact CB-CB 4.46Å; P553-D582 PolarHBondContact O-N 3.45Å; N555-D582 PolarHBondContact ND2-OD1 3.17Å; D582-Y584 VanDerWaalsContact C-N 3.26Å; D582-Y584 PolarHBondContact O-N 2.77Å
583E81.4Confident79.1Confident36 Ų3672.9 Ų72.917%0.16840%0.402CS..SBendtrans-81.2-7.2-169-55.3-165.2143.800113.5P545 K572 P579 Y581 M984P545-E583 HydrophobicContact CB-CB 4.15Å; P545-E583 HydrophobicContact CG-CB 3.81Å; P545-E583 HydrophobicContact CG-CG 3.76Å; K572-E583 WeakPolarHBondContact CE-OE1 3.29Å; K572-E583 IonicContact NZ-OE1 2.73Å; K572-E583 PolarHBondContact NZ-OE1 2.86Å; K572-E583 IonicContact NZ-OE2 2.93Å; K572-E583 PolarHBondContact NZ-OE2 3.22Å; P579-E583 HydrophobicContact CB-CG 3.88Å; P579-E583 VanDerWaalsContact CB-OE1 3.31Å; P579-E583 WeakPolarHBondContact CB-OE1 3.4Å; P579-E583 HydrophobicContact CG-CG 3.74Å; Y581-E583 PolarHBondContact O-N 3.12Å; E583-M984 WeakPolarHBondContact OE1-CE 3.46Å
584Y77.3Confident78.3Confident194 Ų19478.7 Ų78.776%0.76143%0.432SS*.  trans-128.6103.6178-61.9-82.9000108.7D582D582-Y584 VanDerWaalsContact C-N 3.26Å; D582-Y584 PolarHBondContact O-N 2.77Å
585V75.9Confident77.6Confident49 Ų4980.6 Ų80.630%0.29745%0.448SS..  trans-105.4133.5176.9-161.30000107.9A552A552-V585 HydrophobicContact CB-CG2 3.54Å
586P73.2Confident77.1Confident96 Ų9683.7 Ų83.762%0.62346%0.458SS*.PPolyproline II helixtrans-61.4156.2167.827.9-34.6000110.6
587P74.3Confident76.8Confident83 Ų8381 Ų8154%0.53945%0.452SS..PPolyproline II helixtrans-59149.7171.327.8-35.1000110.3E589 L940P587-E589 PolarHBondContact O-N 3.15Å; P587-L940 HydrophobicContact CB-CD2 3.85Å
588P74.8Confident76.3Confident53 Ų5381.8 Ų81.834%0.34446%0.457SS..PPolyproline II helixtrans-53.8129.8177.2-26.635.3000112E936 I937P588-E936 HydrophobicContact CG-CB 4.31Å; P588-I937 HydrophobicContact CB-CG1 4.41Å; P588-I937 HydrophobicContact CG-CG1 4.21Å
589E72Confident75.8Confident173 Ų17382.9 Ų82.981%0.80846%0.462SS*.PPolyproline II helixtrans-71.2146.2175-68.2-172.7174.700110.7P587P587-E589 PolarHBondContact O-N 3.15Å
590P72.2Confident74.9Confident64 Ų6490.2 Ų90.242%0.41649%0.494SS..PPolyproline II helixtrans-67.5149.5177.929.7-35.9000111.5S592 F836P590-S592 PolarHBondContact O-N 2.88Å; P590-F836 HydrophobicContact CB-CB 4.06Å; P590-F836 HydrophobicContact CB-CD1 3.48Å; P590-F836 VanDerWaalsContact CB-CD1 3.48Å; P590-F836 HydrophobicContact CB-CD2 3.75Å; P590-F836 HydrophobicContact CB-CE1 3.75Å; P590-F836 HydrophobicContact CB-CE2 3.99Å; P590-F836 HydrophobicContact CB-CG 3.48Å; P590-F836 VanDerWaalsContact CB-CG 3.48Å; P590-F836 HydrophobicContact CB-CZ 3.99Å; P590-F836 HydrophobicContact CG-CD1 4.23Å; P590-F836 HydrophobicContact CG-CE1 4.04Å; P590-F836 HydrophobicContact CG-CZ 4.23Å
591P74.5Confident74.2Confident45 Ų4596.3 Ų96.329%0.29252%0.52SS..PPolyproline II helixtrans-58.4132.7178.924.1-34.7000111.8L593 E833 F836P591-L593 PolarHBondContact O-N 2.77Å; P591-E833 WeakPolarHBondContact CG-O 3.41Å; P591-F836 HydrophobicContact CG-CB 4.49Å
592S66Low73.9Confident122 Ų12296.4 Ų96.485%0.85352%0.521SS*.  trans-74.9108177.446.80000110.7P590P590-S592 PolarHBondContact O-N 2.88Å
593L72.2Confident73.9Confident84 Ų8498.3 Ų98.344%0.4453%0.531SS..PPolyproline II helixtrans-67.6140.6179.9-65.4176.1000112.1P591 E833 Y834 T837P591-L593 PolarHBondContact O-N 2.77Å; L593-E833 WeakPolarHBondContact CD2-O 3.31Å; L593-Y834 HydrophobicContact CD2-CD1 3.91Å; L593-Y834 HydrophobicContact CD2-CE1 4.01Å; L593-Y834 HydrophobicContact CD2-CG 4.33Å; L593-T837 WeakPolarHBondContact CD1-OG1 3.39Å
594N64.4Low74.1Confident132 Ų13298.2 Ų98.271%0.70653%0.531SS*.PPolyproline II helixtrans-62.5157.5163.7-80.1-61.8000110.9
595P66.7Low74.7Confident106 Ų10694.6 Ų94.669%0.68853%0.53SS*.SBendtrans-54.4143.4176.922.5-34.5000111.7L597P595-L597 PolarHBondContact O-N 3.21Å
596P69.4Low75.5Confident118 Ų11893.6 Ų93.677%0.76653%0.525SS*.PPolyproline II helixtrans-58.6133.2-166.822.1-33.9000112.3
597L72.7Confident76.6Confident59 Ų5989.8 Ų89.831%0.30950%0.5SS..PPolyproline II helixtrans-66.4142-180-69.4170.2000110.8P595 K601 L602 P867P595-L597 PolarHBondContact O-N 3.21Å; L597-K601 HydrophobicContact CB-CB 4.43Å; L597-L602 HydrophobicContact CB-CD2 3.96Å; L597-P867 HydrophobicContact CD1-CB 3.78Å; L597-P867 HydrophobicContact CD1-CG 3.82Å
598P74.4Confident77.6Confident68 Ų6890 Ų9044%0.44250%0.496SS..PPolyproline II helixtrans-62.2145.6172.328-34.7000109.8E600 K601P598-E600 PolarHBondContact O-N 2.93Å; P598-K601 HydrophobicContact CG-CB 4.36Å; P598-K601 HydrophobicContact CG-CD 3.96Å; P598-K601 HydrophobicContact CG-CG 4.07Å; P598-K601 PolarHBondContact O-N 3.08Å
599K74.2Confident78.6Confident165 Ų16589.6 Ų89.672%0.71749%0.491SS*.G310 helixtrans-51.1-35.4-171.4-71-164.8171.4-165.50114.3K601 L602K599-K601 PolarHBondContact O-N 2.8Å; K599-L602 HydrophobicContact CB-CD1 4.4Å; K599-L602 HydrophobicContact CG-CD1 4.22Å; K599-L602 WeakPolarHBondContact O-CB 3.44Å; K599-L602 PolarHBondContact O-N 2.81Å; K599-L602 VanDerWaalsContact O-N 3.11Å
600E70.4Confident79.7Confident182 Ų18285.5 Ų85.585%0.8548%0.477SS*.G310 helixtrans-57.9-24.4175.7-65161.9-163.400114.4P598P598-E600 PolarHBondContact O-N 2.93Å
601K75.7Confident80.7Confident129 Ų12982.7 Ų82.756%0.56146%0.459SS*.G310 helixtrans-1001.5179.5-66.1-173.1179.5-176.60113.8L597 P598 K599 L603L597-K601 HydrophobicContact CB-CB 4.43Å; P598-K601 HydrophobicContact CG-CB 4.36Å; P598-K601 HydrophobicContact CG-CD 3.96Å; P598-K601 HydrophobicContact CG-CG 4.07Å; P598-K601 PolarHBondContact O-N 3.08Å; K599-K601 PolarHBondContact O-N 2.8Å; K601-L603 VanDerWaalsContact C-N 3.29Å
602L83.1Confident81.5Confident4 Ų487.1 Ų87.12%0.02148%0.48CS..SBendtrans-77.3-14.4178.1-60.5178.4000113.1L597 K599 W862 G865 P867 I868L597-L602 HydrophobicContact CB-CD2 3.96Å; K599-L602 HydrophobicContact CB-CD1 4.4Å; K599-L602 HydrophobicContact CG-CD1 4.22Å; K599-L602 WeakPolarHBondContact O-CB 3.44Å; K599-L602 PolarHBondContact O-N 2.81Å; K599-L602 VanDerWaalsContact O-N 3.11Å; L602-W862 HydrophobicContact CD1-CB 4.26Å; L602-W862 WeakPolarHBondContact CD1-O 3.29Å; L602-G865 VanDerWaalsContact CD2-O 3.29Å; L602-G865 WeakPolarHBondContact CD2-O 3.37Å; L602-P867 HydrophobicContact CD2-CB 4.33Å; L602-P867 CarbonylContact O-C 3.59Å; L602-P867 WeakPolarHBondContact O-CA 3.02Å; L602-I868 PolarHBondContact O-N 3.4Å
603L87.4Confident82.7Confident103 Ų10383.4 Ų83.454%0.53945%0.454SS..EExtended strand (participates in β ladder)trans-104.6100.8164.1-176.563.6000108.4K601 R870K601-L603 VanDerWaalsContact C-N 3.29Å; L603-R870 HydrophobicContact CD1-CB 4.02Å
604M86.1Confident83.6Confident34 Ų3486.6 Ų86.617%0.16747%0.465CS..EExtended strand (participates in β ladder)trans-85.8138.1-175.7-64.5-169.3-68.400111.4T606 P831 P867 I868 Y869M604-T606 PolarHBondContact O-N 3.04Å; M604-P831 HydrophobicContact CE-CG 3.61Å; M604-P867 HydrophobicContact CE-CB 3.76Å; M604-P867 HydrophobicContact CE-CG 3.96Å; M604-P867 HydrophobicContact CG-CB 3.99Å; M604-P867 HydrophobicContact SD-CB 3.83Å; M604-P867 HydrophobicContact SD-CG 4.23Å; M604-I868 PolarHBondContact N-O 2.95Å; M604-Y869 HydrophobicContact CB-CD1 3.56Å; M604-Y869 HydrophobicContact CB-CE1 3.51Å; M604-Y869 HydrophobicContact CB-CG 4.28Å; M604-Y869 HydrophobicContact CE-CD1 4.25Å; M604-Y869 HydrophobicContact CE-CD2 3.67Å; M604-Y869 HydrophobicContact CE-CE1 3.88Å; M604-Y869 HydrophobicContact CE-CE2 3.24Å; M604-Y869 HydrophobicContact CE-CG 4.16Å; M604-Y869 HydrophobicContact CG-CE1 4.46Å; M604-Y869 HydrophobicContact SD-CE1 4.22Å; M604-Y869 HydrophobicContact SD-CE2 4.42Å
605P89.8Confident84.9Confident117 Ų11787 Ų8776%0.7646%0.46SS*.PPolyproline II helixtrans-68.2125.9173.429.2-33.6000109.8P607P605-P607 WeakPolarHBondContact O-CD 3.4Å
606T92.4Very high86Confident29 Ų2985.1 Ų85.118%0.17844%0.444CS..PPolyproline II helixtrans-65.3127.9178-52.60000111M604 L608 I631 L633 F871M604-T606 PolarHBondContact O-N 3.04Å; T606-L608 PolarHBondContact O-N 3.19Å; T606-I631 HydrophobicContact CG2-CG2 4.49Å; T606-L633 HydrophobicContact CG2-CB 4.36Å; T606-F871 HydrophobicContact CG2-CB 4.35Å; T606-F871 HydrophobicContact CG2-CD1 3.45Å; T606-F871 VanDerWaalsContact CG2-CD1 3.45Å; T606-F871 HydrophobicContact CG2-CD2 4.42Å; T606-F871 HydrophobicContact CG2-CE1 3.69Å; T606-F871 HydrophobicContact CG2-CG 3.83Å; T606-F871 HydrophobicContact CG2-CZ 4.28Å; T606-F871 WeakPolarHBondContact OG1-CD1 3.48Å
607P95.8Very high87.1Confident16 Ų1679.6 Ų79.610%0.10441%0.408CS..PPolyproline II helixtrans-53.8121.2169.8-26.936.2000110.9P605 F625 H629 I631 A632 L633P605-P607 WeakPolarHBondContact O-CD 3.4Å; P607-F625 HydrophobicContact CB-CE1 4.19Å; P607-F625 HydrophobicContact CB-CE2 4.5Å; P607-F625 HydrophobicContact CB-CZ 3.7Å; P607-H629 HydrophobicContact CB-CB 4.21Å; P607-H629 HydrophobicContact CG-CB 3.91Å; P607-H629 WeakPolarHBondContact CG-CD2 2.99Å; P607-I631 VanDerWaalsContact CD-O 3.31Å; P607-I631 WeakPolarHBondContact CD-O 3.49Å; P607-I631 WeakPolarHBondContact CG-O 3.39Å; P607-A632 HydrophobicContact CB-CB 4.25Å; P607-A632 WeakPolarHBondContact O-CA 3.26Å; P607-L633 PolarHBondContact O-N 3.39Å
608L95.4Very high87.8Confident88 Ų8880.8 Ų80.846%0.46142%0.422SS..EExtended strand (participates in β ladder)trans-127.2121.4-172.9-179.175.8000109.7T606 L633 R635T606-L608 PolarHBondContact O-N 3.19Å; L608-L633 WeakPolarHBondContact CA-O 3.45Å; L608-L633 HydrophobicContact CD1-CB 4Å; L608-L633 HydrophobicContact CD1-CD2 3.81Å; L608-L633 HydrophobicContact CD1-CG 3.97Å; L608-R635 HydrophobicContact CD1-CG 3.83Å
609I95Very high88.5Confident44 Ų4480.6 Ų80.623%0.22642%0.416CS..EExtended strand (participates in β ladder)trans-122.1146.8172.1-166.6163.2000110.1L622 F625 L633 I634 R635I609-L622 HydrophobicContact CD1-CD1 3.96Å; I609-L622 HydrophobicContact CG1-CD1 4.49Å; I609-L622 HydrophobicContact CG2-CD1 3.78Å; I609-F625 HydrophobicContact CB-CD1 3.89Å; I609-F625 HydrophobicContact CB-CE1 3.63Å; I609-F625 HydrophobicContact CB-CZ 4.14Å; I609-F625 HydrophobicContact CD1-CB 4.3Å; I609-F625 HydrophobicContact CD1-CD1 4.05Å; I609-F625 HydrophobicContact CD1-CG 4.06Å; I609-F625 HydrophobicContact CG2-CD1 3.76Å; I609-F625 HydrophobicContact CG2-CE1 3.68Å; I609-L633 PolarHBondContact N-O 3Å; I609-I634 HydrophobicContact CG2-CB 4.17Å; I609-I634 HydrophobicContact CG2-CG1 4.02Å; I609-I634 HydrophobicContact CG2-CG2 3.97Å; I609-R635 PolarHBondContact O-N 2.93Å
610V95.1Very high89.2Confident86 Ų8675.5 Ų75.552%0.52140%0.4SS..EExtended strand (participates in β ladder)trans-118.7127.8-179.6-176.50000108.5R635V610-R635 HydrophobicContact CG2-CB 4.41Å
611V94.3Very high90.2Very high6 Ų672.7 Ų72.74%0.03639%0.386CS..  trans-111.5103.2-178.7-179.60000107.9D616 A617 L622 I634 R635 G636 L637 A640V611-D616 HydrophobicContact CG1-CB 4.21Å; V611-A617 HydrophobicContact CG1-CB 3.77Å; V611-L622 HydrophobicContact CG2-CD1 4.16Å; V611-L622 HydrophobicContact CG2-CD2 4.04Å; V611-I634 HydrophobicContact CG2-CG2 3.68Å; V611-R635 PolarHBondContact N-O 3Å; V611-G636 CarbonylContact O-C 3.52Å; V611-L637 HydrophobicContact CB-CB 4.38Å; V611-L637 HydrophobicContact CG1-CD1 4.07Å; V611-L637 HydrophobicContact CG2-CB 4.44Å; V611-A640 HydrophobicContact CG1-CB 3.88Å
612D90.2Very high91Very high137 Ų13766.8 Ų66.873%0.73336%0.361SS*.  trans-88.2-23.7-176.3-85.9-49.4000113.3
613S91.7Very high91.5Very high45 Ų4569.1 Ų69.132%0.31537%0.372SS..SBendtrans-141.3160.5-178.383.50000114.2K615 D616 A617S613-K615 PolarHBondContact O-N 2.93Å; S613-K615 VanDerWaalsContact O-N 3.16Å; S613-K615 PolarHBondContact OG-N 3.49Å; S613-D616 WeakPolarHBondContact CA-OD2 2.99Å; S613-D616 VanDerWaalsContact CB-OD2 3.24Å; S613-D616 WeakPolarHBondContact CB-OD2 3.36Å; S613-D616 PolarHBondContact N-OD2 2.96Å; S613-D616 PolarHBondContact O-N 3.13Å; S613-D616 VanDerWaalsContact O-N 3.09Å; S613-D616 VanDerWaalsContact OG-CG 3.22Å; S613-D616 PolarHBondContact OG-N 3.4Å; S613-D616 PolarHBondContact OG-OD2 3.05Å; S613-A617 PolarHBondContact O-N 3.42Å; S613-A617 VanDerWaalsContact O-N 3.11Å
614K91.4Very high91.8Very high151 Ų15169.8 Ų69.866%0.65737%0.368SS*.Hα-helixtrans-56.9-26.5173.1178.9169.8-179.5179.30112.8S618 L641K614-S618 PolarHBondContact O-N 2.91Å; K614-S618 PolarHBondContact O-OG 2.88Å; K614-L641 HydrophobicContact CG-CD2 4.16Å
615K91Very high92.2Very high140 Ų14070.3 Ų70.361%0.60937%0.369SS*.Hα-helixtrans-68-44.8176-178175.3177.6177.80110.9S613 A617 S618 M619S613-K615 PolarHBondContact O-N 2.93Å; S613-K615 VanDerWaalsContact O-N 3.16Å; S613-K615 PolarHBondContact OG-N 3.49Å; K615-A617 VanDerWaalsContact C-N 3.3Å; K615-A617 PolarHBondContact O-N 3.37Å; K615-S618 PolarHBondContact O-N 3.43Å; K615-S618 VanDerWaalsContact O-N 3.07Å; K615-S618 PolarHBondContact O-OG 2.99Å; K615-M619 HydrophobicContact CD-CE 4.1Å; K615-M619 HydrophobicContact CG-CE 3.59Å; K615-M619 PolarHBondContact O-N 3.45Å
616D90.7Very high92.5Very high66 Ų6664.8 Ų64.835%0.35333%0.333SS..Hα-helixtrans-68.3-34.4-179.6-39.9-52000110.6V611 S613 S618 M619V611-D616 HydrophobicContact CG1-CB 4.21Å; S613-D616 WeakPolarHBondContact CA-OD2 2.99Å; S613-D616 VanDerWaalsContact CB-OD2 3.24Å; S613-D616 WeakPolarHBondContact CB-OD2 3.36Å; S613-D616 PolarHBondContact N-OD2 2.96Å; S613-D616 PolarHBondContact O-N 3.13Å; S613-D616 VanDerWaalsContact O-N 3.09Å; S613-D616 VanDerWaalsContact OG-CG 3.22Å; S613-D616 PolarHBondContact OG-N 3.4Å; S613-D616 PolarHBondContact OG-OD2 3.05Å; D616-S618 PolarHBondContact O-N 3.1Å; D616-M619 PolarHBondContact O-N 3.45Å
617A91.6Very high92.5Very high2 Ų266 Ų662%0.01734%0.335CS..Hα-helixtrans-62-24.2171.600000113.7V611 S613 K615 L637 L641 P768V611-A617 HydrophobicContact CG1-CB 3.77Å; S613-A617 PolarHBondContact O-N 3.42Å; S613-A617 VanDerWaalsContact O-N 3.11Å; K615-A617 VanDerWaalsContact C-N 3.3Å; K615-A617 PolarHBondContact O-N 3.37Å; A617-L637 HydrophobicContact CB-CD1 3.56Å; A617-L641 HydrophobicContact CB-CD2 3.83Å; A617-L641 HydrophobicContact CB-CG 4.15Å; A617-P768 WeakPolarHBondContact O-CG 3.32Å
618S88.4Confident92.4Very high84 Ų8472.1 Ų72.159%0.58736%0.362SS*.THydrogen-bonded Turntrans-98.35.4179.556.90000114.6K614 K615 D616K614-S618 PolarHBondContact O-N 2.91Å; K614-S618 PolarHBondContact O-OG 2.88Å; K615-S618 PolarHBondContact O-N 3.43Å; K615-S618 VanDerWaalsContact O-N 3.07Å; K615-S618 PolarHBondContact O-OG 2.99Å; D616-S618 PolarHBondContact O-N 3.1Å
619M88.9Confident92.3Very high65 Ų6570.6 Ų70.632%0.3235%0.352SS..  trans-82.2132.7-179.5-74.3-63.2153.200112.1K615 D616 E621 L622K615-M619 HydrophobicContact CD-CE 4.1Å; K615-M619 HydrophobicContact CG-CE 3.59Å; K615-M619 PolarHBondContact O-N 3.45Å; D616-M619 PolarHBondContact O-N 3.45Å; M619-E621 PolarHBondContact O-N 2.89Å; M619-E621 VanDerWaalsContact O-N 3.16Å; M619-L622 WeakPolarHBondContact O-CB 3.3Å; M619-L622 PolarHBondContact O-N 3.21Å
620P89.3Confident92.3Very high58 Ų5870 Ų7038%0.37735%0.352SS..Hα-helixtrans-54.3-30.6172.8-27.236000113.5L622 Q623 Y624P620-L622 PolarHBondContact O-N 3.44Å; P620-Q623 WeakPolarHBondContact O-CA 3.31Å; P620-Q623 WeakPolarHBondContact O-CB 3.25Å; P620-Q623 PolarHBondContact O-N 3.34Å; P620-Y624 HydrophobicContact CB-CD2 4.24Å; P620-Y624 HydrophobicContact CB-CE2 3.65Å; P620-Y624 VanDerWaalsContact O-CD2 3.26Å; P620-Y624 WeakPolarHBondContact O-CD2 3.34Å; P620-Y624 PolarHBondContact O-N 3.29Å
621E91.1Very high92.4Very high123 Ų12365.9 Ų65.958%0.57533%0.327SS*.Hα-helixtrans-56.8-30.6175.5-66.292.514600113.5M619 F625M619-E621 PolarHBondContact O-N 2.89Å; M619-E621 VanDerWaalsContact O-N 3.16Å; E621-F625 VanDerWaalsContact O-CB 3.25Å; E621-F625 WeakPolarHBondContact O-CB 3.49Å; E621-F625 PolarHBondContact O-N 2.9Å
622L93.4Very high92.5Very high4 Ų465.6 Ų65.62%0.02133%0.325CS..Hα-helixtrans-69.6-38.6174177.360.8000111.4I609 V611 M619 P620 C626 I634 L637 F770I609-L622 HydrophobicContact CD1-CD1 3.96Å; I609-L622 HydrophobicContact CG1-CD1 4.49Å; I609-L622 HydrophobicContact CG2-CD1 3.78Å; V611-L622 HydrophobicContact CG2-CD1 4.16Å; V611-L622 HydrophobicContact CG2-CD2 4.04Å; M619-L622 WeakPolarHBondContact O-CB 3.3Å; M619-L622 PolarHBondContact O-N 3.21Å; P620-L622 PolarHBondContact O-N 3.44Å; L622-C626 PolarHBondContact O-N 2.93Å; L622-C626 PolarHBondContact O-SG 3.26Å; L622-I634 HydrophobicContact CD1-CD1 4.37Å; L622-I634 HydrophobicContact CD1-CG2 4.04Å; L622-L637 HydrophobicContact CD2-CD1 4.37Å; L622-F770 HydrophobicContact CD2-CE1 4.49Å; L622-F770 HydrophobicContact CG-CE1 4.26Å; L622-F770 HydrophobicContact CG-CZ 4.05Å
623Q93.5Very high92.9Very high53 Ų5359.3 Ų59.325%0.24829%0.291CS..Hα-helixtrans-69.1-46.7175.9-178.4-177.5-45.600110.9P620 F625 C626 Y627 F770P620-Q623 WeakPolarHBondContact O-CA 3.31Å; P620-Q623 WeakPolarHBondContact O-CB 3.25Å; P620-Q623 PolarHBondContact O-N 3.34Å; Q623-F625 PolarHBondContact O-N 3.24Å; Q623-C626 WeakPolarHBondContact O-CB 3.48Å; Q623-C626 PolarHBondContact O-N 3.36Å; Q623-C626 VanDerWaalsContact O-N 3.14Å; Q623-Y627 HydrophobicContact CG-CD1 4.37Å; Q623-Y627 HydrophobicContact CG-CD2 4.28Å; Q623-Y627 HydrophobicContact CG-CE1 3.85Å; Q623-Y627 HydrophobicContact CG-CE2 3.76Å; Q623-Y627 PolarHBondContact NE2-OH 3Å; Q623-Y627 WeakPolarHBondContact O-CD1 3.4Å; Q623-Y627 PolarHBondContact O-N 3.49Å; Q623-F770 HydrophobicContact CB-CD1 3.68Å; Q623-F770 HydrophobicContact CB-CE1 3.88Å; Q623-F770 HydrophobicContact CB-CG 4.03Å; Q623-F770 HydrophobicContact CB-CZ 4.38Å; Q623-F770 HydrophobicContact CG-CB 3.85Å; Q623-F770 HydrophobicContact CG-CD1 3.87Å; Q623-F770 HydrophobicContact CG-CD2 4.18Å; Q623-F770 HydrophobicContact CG-CE1 4.47Å; Q623-F770 HydrophobicContact CG-CG 3.71Å
624Y93Very high93.2Very high117 Ų11757.1 Ų57.146%0.45928%0.276SS..Hα-helixtrans-60-44.3176.7-60-44.6000111.5P620 C626 Y627 E628P620-Y624 HydrophobicContact CB-CD2 4.24Å; P620-Y624 HydrophobicContact CB-CE2 3.65Å; P620-Y624 VanDerWaalsContact O-CD2 3.26Å; P620-Y624 WeakPolarHBondContact O-CD2 3.34Å; P620-Y624 PolarHBondContact O-N 3.29Å; Y624-C626 PolarHBondContact O-N 3.45Å; Y624-Y627 PolarHBondContact O-N 2.91Å; Y624-Y627 VanDerWaalsContact O-N 3.13Å; Y624-E628 WeakPolarHBondContact O-CG 3.3Å; Y624-E628 PolarHBondContact O-N 2.97Å
625F94.5Very high93.4Very high46 Ų4653.3 Ų53.320%0.20226%0.258CS..Hα-helixtrans-57.8-35.5175.4179.5-96.4000113P607 I609 E621 Q623 H629 A632P607-F625 HydrophobicContact CB-CE1 4.19Å; P607-F625 HydrophobicContact CB-CE2 4.5Å; P607-F625 HydrophobicContact CB-CZ 3.7Å; I609-F625 HydrophobicContact CB-CD1 3.89Å; I609-F625 HydrophobicContact CB-CE1 3.63Å; I609-F625 HydrophobicContact CB-CZ 4.14Å; I609-F625 HydrophobicContact CD1-CB 4.3Å; I609-F625 HydrophobicContact CD1-CD1 4.05Å; I609-F625 HydrophobicContact CD1-CG 4.06Å; I609-F625 HydrophobicContact CG2-CD1 3.76Å; I609-F625 HydrophobicContact CG2-CE1 3.68Å; E621-F625 VanDerWaalsContact O-CB 3.25Å; E621-F625 WeakPolarHBondContact O-CB 3.49Å; E621-F625 PolarHBondContact O-N 2.9Å; Q623-F625 PolarHBondContact O-N 3.24Å; F625-H629 AromaticContact CD2-CE1 3.89Å; F625-H629 AromaticContact CE2-CE1 3.74Å; F625-H629 PolarHBondContact O-ND1 2.94Å; F625-A632 HydrophobicContact CD1-CB 4.47Å; F625-A632 HydrophobicContact CE1-CB 4.02Å
626C95Very high93.4Very high0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-70.7-46.1174.9-64.50000111.5L622 Q623 Y624 E628 H629 F770 W880L622-C626 PolarHBondContact O-N 2.93Å; L622-C626 PolarHBondContact O-SG 3.26Å; Q623-C626 WeakPolarHBondContact O-CB 3.48Å; Q623-C626 PolarHBondContact O-N 3.36Å; Q623-C626 VanDerWaalsContact O-N 3.14Å; Y624-C626 PolarHBondContact O-N 3.45Å; C626-E628 VanDerWaalsContact C-N 3.28Å; C626-E628 PolarHBondContact O-N 3.05Å; C626-H629 PolarHBondContact O-N 3.3Å; C626-H629 VanDerWaalsContact O-O 3.07Å; C626-F770 HydrophobicContact CB-CE2 3.97Å; C626-W880 HydrophobicContact CB-CB 4.39Å; C626-W880 HydrophobicContact CB-CD2 3.68Å; C626-W880 HydrophobicContact CB-CE3 4.18Å; C626-W880 HydrophobicContact CB-CG 3.72Å; C626-W880 PolarHBondContact O-NE1 2.98Å
627Y93.6Very high93.7Very high54 Ų5444.7 Ų44.721%0.21222%0.224CC..Hα-helixtrans-70-21.5-178.1-64.72.7000113.4Q623 Y624 H629 F770 W880 P922 T924Q623-Y627 HydrophobicContact CG-CD1 4.37Å; Q623-Y627 HydrophobicContact CG-CD2 4.28Å; Q623-Y627 HydrophobicContact CG-CE1 3.85Å; Q623-Y627 HydrophobicContact CG-CE2 3.76Å; Q623-Y627 PolarHBondContact NE2-OH 3Å; Q623-Y627 WeakPolarHBondContact O-CD1 3.4Å; Q623-Y627 PolarHBondContact O-N 3.49Å; Y624-Y627 PolarHBondContact O-N 2.91Å; Y624-Y627 VanDerWaalsContact O-N 3.13Å; Y627-H629 VanDerWaalsContact C-N 3.29Å; Y627-H629 PolarHBondContact O-N 2.83Å; Y627-F770 HydrophobicContact CE1-CB 4.5Å; Y627-F770 HydrophobicContact CE1-CD2 4.2Å; Y627-W880 AromaticContact CD1-CH2 3.88Å; Y627-W880 HydrophobicContact CD1-CH2 3.88Å; Y627-W880 AromaticContact CD1-CZ2 3.69Å; Y627-W880 HydrophobicContact CD1-CZ2 3.69Å; Y627-W880 AromaticContact CE1-CH2 3.57Å; Y627-W880 HydrophobicContact CE1-CH2 3.57Å; Y627-W880 AromaticContact CE1-CZ2 3.9Å; Y627-W880 HydrophobicContact CE1-CZ2 3.9Å; Y627-W880 HydrophobicContact CE1-CZ3 4.24Å; Y627-P922 HydrophobicContact CD1-CG 4.26Å; Y627-P922 HydrophobicContact CE1-CB 4.06Å; Y627-P922 HydrophobicContact CE1-CG 3.61Å; Y627-P922 HydrophobicContact CE2-CB 3.96Å; Y627-P922 HydrophobicContact CE2-CG 4.42Å; Y627-T924 HydrophobicContact CD2-CG2 4.04Å; Y627-T924 HydrophobicContact CE2-CG2 4.03Å
628E92.7Very high93.9Very high145 Ų14544.9 Ų44.968%0.67823%0.225SC*.THydrogen-bonded Turntrans-75.9-10.4174.2-76.9-178.2161.700114.1Y624 C626Y624-E628 WeakPolarHBondContact O-CG 3.3Å; Y624-E628 PolarHBondContact O-N 2.97Å; C626-E628 VanDerWaalsContact C-N 3.28Å; C626-E628 PolarHBondContact O-N 3.05Å
629H94.3Very high94.2Very high56 Ų5643.9 Ų43.926%0.25922%0.222SC..SBendtrans-132.8138.1-169.2-64.294.9000113.6P607 F625 C626 Y627 I631P607-H629 HydrophobicContact CB-CB 4.21Å; P607-H629 HydrophobicContact CG-CB 3.91Å; P607-H629 WeakPolarHBondContact CG-CD2 2.99Å; F625-H629 AromaticContact CD2-CE1 3.89Å; F625-H629 AromaticContact CE2-CE1 3.74Å; F625-H629 PolarHBondContact O-ND1 2.94Å; C626-H629 PolarHBondContact O-N 3.3Å; C626-H629 VanDerWaalsContact O-O 3.07Å; Y627-H629 VanDerWaalsContact C-N 3.29Å; Y627-H629 PolarHBondContact O-N 2.83Å; H629-I631 VanDerWaalsContact C-N 3.28Å; H629-I631 PolarHBondContact O-N 2.81Å
630P94.3Very high94.5Very high32 Ų3241.6 Ų41.621%0.20821%0.213CC..SBendtrans-65.7-28.8178.127.5-36.1000112.9P831 Y869 G882 T885P630-P831 HydrophobicContact CG-CG 4.42Å; P630-Y869 HydrophobicContact CG-CE2 3.6Å; P630-Y869 WeakPolarHBondContact CG-OH 3.45Å; P630-G882 PolarHBondContact O-N 2.72Å; P630-T885 WeakPolarHBondContact CA-OG1 3.45Å; P630-T885 HydrophobicContact CB-CG2 4.2Å; P630-T885 VanDerWaalsContact CB-OG1 3.26Å; P630-T885 WeakPolarHBondContact CB-OG1 3.33Å; P630-T885 WeakPolarHBondContact O-CB 3.26Å; P630-T885 WeakPolarHBondContact O-CG2 3.28Å; P630-T885 PolarHBondContact O-OG1 3.06Å
631I97.5Very high94.7Very high0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-146.6140.9169.6-160.7160.5000109.7T606 P607 H629 W827 A829 Y869 F871 V879 W880T606-I631 HydrophobicContact CG2-CG2 4.49Å; P607-I631 VanDerWaalsContact CD-O 3.31Å; P607-I631 WeakPolarHBondContact CD-O 3.49Å; P607-I631 WeakPolarHBondContact CG-O 3.39Å; H629-I631 VanDerWaalsContact C-N 3.28Å; H629-I631 PolarHBondContact O-N 2.81Å; I631-W827 HydrophobicContact CD1-CE3 4.17Å; I631-A829 HydrophobicContact CB-CB 4.32Å; I631-A829 HydrophobicContact CD1-CB 3.53Å; I631-A829 HydrophobicContact CG2-CB 4.1Å; I631-Y869 HydrophobicContact CG2-CD1 4.36Å; I631-Y869 HydrophobicContact CG2-CD2 3.56Å; I631-Y869 HydrophobicContact CG2-CE2 4.06Å; I631-Y869 HydrophobicContact CG2-CG 3.72Å; I631-F871 HydrophobicContact CD1-CE1 3.79Å; I631-F871 HydrophobicContact CD1-CZ 3.76Å; I631-F871 HydrophobicContact CG1-CE1 4.16Å; I631-F871 HydrophobicContact CG1-CZ 4.06Å; I631-F871 HydrophobicContact CG2-CE1 4.31Å; I631-V879 HydrophobicContact CD1-CG1 4.06Å; I631-V879 HydrophobicContact CG1-CG1 3.93Å; I631-W880 WeakPolarHBondContact CA-O 3.05Å; I631-W880 WeakPolarHBondContact CG1-O 3.5Å
632A97.5Very high94.9Very high0 Ų044.3 Ų44.30%021%0.212CC..EExtended strand (participates in β ladder)trans-141.2140.4178.600000111.9P607 F625 V879 W880P607-A632 HydrophobicContact CB-CB 4.25Å; P607-A632 WeakPolarHBondContact O-CA 3.26Å; F625-A632 HydrophobicContact CD1-CB 4.47Å; F625-A632 HydrophobicContact CE1-CB 4.02Å; A632-V879 WeakPolarHBondContact O-CA 3.37Å; A632-W880 HydrophobicContact CB-CB 4.29Å; A632-W880 PolarHBondContact N-O 3.03Å; A632-W880 PolarHBondContact O-N 2.59Å
633L97.6Very high95Very high4 Ų445 Ų452%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-103.8113.3176.6-173.964000110T606 P607 L608 I609 R635 F871 Q873 D877 V879T606-L633 HydrophobicContact CG2-CB 4.36Å; P607-L633 PolarHBondContact O-N 3.39Å; L608-L633 WeakPolarHBondContact CA-O 3.45Å; L608-L633 HydrophobicContact CD1-CB 4Å; L608-L633 HydrophobicContact CD1-CD2 3.81Å; L608-L633 HydrophobicContact CD1-CG 3.97Å; I609-L633 PolarHBondContact N-O 3Å; L633-R635 HydrophobicContact CD2-CG 4.49Å; L633-R635 HydrophobicContact CG-CG 4.27Å; L633-F871 HydrophobicContact CB-CE2 4.42Å; L633-F871 HydrophobicContact CD1-CD2 4.27Å; L633-F871 HydrophobicContact CD1-CE2 4.02Å; L633-F871 HydrophobicContact CD2-CD2 3.91Å; L633-F871 HydrophobicContact CD2-CE2 4.43Å; L633-F871 HydrophobicContact CG-CD2 4.49Å; L633-Q873 HydrophobicContact CD1-CB 4.38Å; L633-Q873 HydrophobicContact CD1-CG 4.34Å; L633-D877 HydrophobicContact CD1-CB 3.86Å; L633-V879 HydrophobicContact CD1-CG2 3.75Å
634I97.5Very high95.1Very high0 Ų046.2 Ų46.20%022%0.223CC..EExtended strand (participates in β ladder)trans-100.8102.4180-45.4172.2000108.4I609 V611 L622 L637 V878I609-I634 HydrophobicContact CG2-CB 4.17Å; I609-I634 HydrophobicContact CG2-CG1 4.02Å; I609-I634 HydrophobicContact CG2-CG2 3.97Å; V611-I634 HydrophobicContact CG2-CG2 3.68Å; L622-I634 HydrophobicContact CD1-CD1 4.37Å; L622-I634 HydrophobicContact CD1-CG2 4.04Å; I634-L637 HydrophobicContact CD1-CD2 4.38Å; I634-L637 HydrophobicContact CG2-CB 3.77Å; I634-L637 HydrophobicContact CG2-CD2 4.05Å; I634-L637 HydrophobicContact CG2-CG 4.45Å; I634-V878 HydrophobicContact CB-CB 4.27Å; I634-V878 PolarHBondContact N-O 3.12Å; I634-V878 PolarHBondContact O-N 3.36Å
635R95.5Very high95.2Very high71 Ų7141.9 Ų41.927%0.26821%0.208SC..EExtended strand (participates in β ladder)trans-88142.1178.4-64.3-152155.5124.61.1111.8L608 I609 V610 V611 L633 L637 S872 D877L608-R635 HydrophobicContact CD1-CG 3.83Å; I609-R635 PolarHBondContact O-N 2.93Å; V610-R635 HydrophobicContact CG2-CB 4.41Å; V611-R635 PolarHBondContact N-O 3Å; L633-R635 HydrophobicContact CD2-CG 4.49Å; L633-R635 HydrophobicContact CG-CG 4.27Å; R635-L637 VanDerWaalsContact C-N 3.27Å; R635-L637 PolarHBondContact O-N 3.02Å; R635-S872 PolarHBondContact NH2-O 3.45Å; R635-D877 VanDerWaalsContact CG-OD1 3.25Å; R635-D877 WeakPolarHBondContact CG-OD1 3.49Å; R635-D877 IonicContact CZ-OD2 2.73Å; R635-D877 IonicContact NE-OD1 3.46Å; R635-D877 IonicContact NE-OD2 2.67Å; R635-D877 PolarHBondContact NE-OD2 2.85Å; R635-D877 IonicContact NH2-OD2 3.57Å; R635-D877 PolarHBondContact NH2-OD2 2.93Å
636G92.5Very high95.2Very high24 Ų2442.7 Ų42.725%0.24722%0.22CC..SBendtrans80.2-10.9173.400000116V611 T638 A639 A640V611-G636 CarbonylContact O-C 3.52Å; G636-T638 VanDerWaalsContact C-N 3.34Å; G636-T638 PolarHBondContact O-N 3.06Å; G636-A639 CarbonylContact O-C 3.57Å; G636-A639 WeakPolarHBondContact O-CA 3.49Å; G636-A639 WeakPolarHBondContact O-CB 3.27Å; G636-A639 PolarHBondContact O-N 2.92Å; G636-A640 WeakPolarHBondContact O-CB 3.4Å; G636-A640 PolarHBondContact O-N 2.79Å
637L95.8Very high95.2Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-52.4-47.7-177.5177.660.4000113V611 A617 L622 I634 R635 A639 A640 L641 L767 P768 V878V611-L637 HydrophobicContact CB-CB 4.38Å; V611-L637 HydrophobicContact CG1-CD1 4.07Å; V611-L637 HydrophobicContact CG2-CB 4.44Å; A617-L637 HydrophobicContact CB-CD1 3.56Å; L622-L637 HydrophobicContact CD2-CD1 4.37Å; I634-L637 HydrophobicContact CD1-CD2 4.38Å; I634-L637 HydrophobicContact CG2-CB 3.77Å; I634-L637 HydrophobicContact CG2-CD2 4.05Å; I634-L637 HydrophobicContact CG2-CG 4.45Å; R635-L637 VanDerWaalsContact C-N 3.27Å; R635-L637 PolarHBondContact O-N 3.02Å; L637-A639 PolarHBondContact O-N 2.93Å; L637-A640 PolarHBondContact O-N 2.64Å; L637-L641 HydrophobicContact CD1-CD1 3.63Å; L637-L641 HydrophobicContact CD1-CG 4.12Å; L637-L641 HydrophobicContact CG-CD1 3.99Å; L637-L641 WeakPolarHBondContact O-CB 3.43Å; L637-L641 VanDerWaalsContact O-CG 3.31Å; L637-L641 WeakPolarHBondContact O-CG 3.32Å; L637-L641 PolarHBondContact O-N 2.91Å; L637-L767 HydrophobicContact CD2-CD2 4.16Å; L637-L767 HydrophobicContact CG-CD2 4.41Å; L637-P768 HydrophobicContact CD1-CG 4.12Å; L637-V878 HydrophobicContact CB-CG2 4.28Å; L637-V878 HydrophobicContact CD2-CB 4.45Å; L637-V878 HydrophobicContact CD2-CG2 4.1Å
638T96Very high95.3Very high7 Ų742 Ų424%0.04322%0.219CC..Hα-helixtrans-59.6-43.717655.20000112.2G636 R642 M643 L645 V818 G876 V878G636-T638 VanDerWaalsContact C-N 3.34Å; G636-T638 PolarHBondContact O-N 3.06Å; T638-R642 PolarHBondContact O-N 3.21Å; T638-M643 HydrophobicContact CG2-SD 4Å; T638-M643 PolarHBondContact O-N 2.98Å; T638-L645 HydrophobicContact CG2-CD1 4.29Å; T638-L645 HydrophobicContact CG2-CD2 4.19Å; T638-V818 HydrophobicContact CG2-CG1 3.66Å; T638-G876 WeakPolarHBondContact CG2-O 3.35Å; T638-G876 WeakPolarHBondContact OG1-CA 3.29Å; T638-G876 PolarHBondContact OG1-O 2.6Å; T638-V878 HydrophobicContact CG2-CG2 3.95Å
639A94.5Very high95.4Very high63 Ų6336.8 Ų36.852%0.52120%0.199SC..Hα-helixtrans-70.9-37.3179.700000112.8G636 L637 R642G636-A639 CarbonylContact O-C 3.57Å; G636-A639 WeakPolarHBondContact O-CA 3.49Å; G636-A639 WeakPolarHBondContact O-CB 3.27Å; G636-A639 PolarHBondContact O-N 2.92Å; L637-A639 PolarHBondContact O-N 2.93Å; A639-R642 PolarHBondContact O-N 3.33Å
640A94.7Very high95.3Very high16 Ų1635 Ų3513%0.13219%0.192CC..Hα-helixtrans-66.8-37.4176.600000112.2V611 G636 L637 R642V611-A640 HydrophobicContact CG1-CB 3.88Å; G636-A640 WeakPolarHBondContact O-CB 3.4Å; G636-A640 PolarHBondContact O-N 2.79Å; L637-A640 PolarHBondContact O-N 2.64Å; A640-R642 VanDerWaalsContact C-N 3.32Å
641L95.3Very high95.2Very high25 Ų2537.6 Ų37.613%0.13121%0.207CC..Hα-helixtrans-80.8-10.5173.3-66.5172.3000113.6K614 A617 L637 M643 L767K614-L641 HydrophobicContact CG-CD2 4.16Å; A617-L641 HydrophobicContact CB-CD2 3.83Å; A617-L641 HydrophobicContact CB-CG 4.15Å; L637-L641 HydrophobicContact CD1-CD1 3.63Å; L637-L641 HydrophobicContact CD1-CG 4.12Å; L637-L641 HydrophobicContact CG-CD1 3.99Å; L637-L641 WeakPolarHBondContact O-CB 3.43Å; L637-L641 VanDerWaalsContact O-CG 3.31Å; L637-L641 WeakPolarHBondContact O-CG 3.32Å; L637-L641 PolarHBondContact O-N 2.91Å; L641-M643 HydrophobicContact CB-CG 4.07Å; L641-M643 HydrophobicContact CD1-SD 4.34Å; L641-L767 HydrophobicContact CD1-CD2 3.97Å
642R94.9Very high95.1Very high214 Ų21438.8 Ų38.881%0.80822%0.215SC*.THydrogen-bonded Turntrans56.650.3-173.4-52.5-179.2-175.6177.91.3112.3T638 A639 A640T638-R642 PolarHBondContact O-N 3.21Å; A639-R642 PolarHBondContact O-N 3.33Å; A640-R642 VanDerWaalsContact C-N 3.32Å
643M95.8Very high94.9Very high18 Ų1838.8 Ų38.89%0.08922%0.215CC..  trans-73.5130.7174-67.1176.171.600111T638 L641 L645 E763 L764 K766 L767T638-M643 HydrophobicContact CG2-SD 4Å; T638-M643 PolarHBondContact O-N 2.98Å; L641-M643 HydrophobicContact CB-CG 4.07Å; L641-M643 HydrophobicContact CD1-SD 4.34Å; M643-L645 HydrophobicContact CB-CD2 4.09Å; M643-L645 PolarHBondContact O-N 3.41Å; M643-E763 WeakPolarHBondContact CA-OE1 3.34Å; M643-L764 HydrophobicContact CE-CD2 4.3Å; M643-K766 HydrophobicContact CG-CB 4.41Å; M643-L767 HydrophobicContact CE-CD1 4.31Å; M643-L767 HydrophobicContact CE-CD2 4.16Å; M643-L767 HydrophobicContact CE-CG 4.02Å; M643-L767 HydrophobicContact SD-CD2 3.62Å; M643-L767 HydrophobicContact SD-CG 4.01Å
644D95.4Very high94.7Very high78 Ų7841 Ų4142%0.41723%0.227SC..  trans-85.592.1171.5-168.5-9.5000110.4S646 E763D644-S646 VanDerWaalsContact CG-OG 3.32Å; D644-S646 PolarHBondContact O-N 3.25Å; D644-S646 WeakPolarHBondContact OD1-CB 3.46Å; D644-S646 PolarHBondContact OD1-N 2.7Å; D644-S646 PolarHBondContact OD1-OG 3.04Å; D644-S646 PolarHBondContact OD2-OG 3.32Å; D644-E763 PolarHBondContact N-OE1 2.9Å
645L94.8Very high94.5Very high26 Ų2648.1 Ų48.114%0.13626%0.26CS..G310 helixtrans-72.1-10.2178.9-54.8-178.4000112.7T638 M643 L647 F648 V818 I820T638-L645 HydrophobicContact CG2-CD1 4.29Å; T638-L645 HydrophobicContact CG2-CD2 4.19Å; M643-L645 HydrophobicContact CB-CD2 4.09Å; M643-L645 PolarHBondContact O-N 3.41Å; L645-L647 PolarHBondContact O-N 3.49Å; L645-F648 PolarHBondContact O-N 3.21Å; L645-F648 VanDerWaalsContact O-N 3.15Å; L645-V818 HydrophobicContact CD2-CG1 4.49Å; L645-I820 HydrophobicContact CB-CD1 4.2Å; L645-I820 HydrophobicContact CB-CG2 4.24Å; L645-I820 HydrophobicContact CD2-CD1 4.11Å; L645-I820 WeakPolarHBondContact O-CG2 3.38Å
646S93.9Very high94.3Very high64 Ų6447.9 Ų47.945%0.44826%0.261SS..G310 helixtrans-67.1-25.4-179.574.50000113.1D644 F648 S649 S652D644-S646 VanDerWaalsContact CG-OG 3.32Å; D644-S646 PolarHBondContact O-N 3.25Å; D644-S646 WeakPolarHBondContact OD1-CB 3.46Å; D644-S646 PolarHBondContact OD1-N 2.7Å; D644-S646 PolarHBondContact OD1-OG 3.04Å; D644-S646 PolarHBondContact OD2-OG 3.32Å; S646-F648 PolarHBondContact O-N 3.15Å; S646-F648 VanDerWaalsContact O-N 3.1Å; S646-S649 WeakPolarHBondContact O-CB 3.49Å; S646-S649 PolarHBondContact O-N 2.97Å; S646-S649 PolarHBondContact O-OG 2.99Å; S646-S652 WeakPolarHBondContact O-CB 3.37Å
647L95Very high94.4Very high39 Ų3947.3 Ų47.320%0.20425%0.254CS..G310 helixtrans-61.1-15.8173.3-59.2177.8000113.7L645 Q760 E763L645-L647 PolarHBondContact O-N 3.49Å; L647-Q760 HydrophobicContact CB-CG 4.21Å; L647-Q760 WeakPolarHBondContact O-CG 3.37Å; L647-Q760 PolarHBondContact O-NE2 3.16Å; L647-E763 HydrophobicContact CD1-CB 4.15Å; L647-E763 HydrophobicContact CD1-CG 4.13Å
648F95.8Very high94.2Very high0 Ų050 Ų500%027%0.272CS..G310 helixtrans-111.38.9177.5-51.5-88.2000112.4L645 S646 L751 Q760 E763 L764 I820 N914 I916L645-F648 PolarHBondContact O-N 3.21Å; L645-F648 VanDerWaalsContact O-N 3.15Å; S646-F648 PolarHBondContact O-N 3.15Å; S646-F648 VanDerWaalsContact O-N 3.1Å; F648-L751 HydrophobicContact CD1-CD1 4.11Å; F648-L751 HydrophobicContact CE1-CD1 3.99Å; F648-Q760 HydrophobicContact CD1-CB 4.36Å; F648-Q760 HydrophobicContact CD1-CG 4.07Å; F648-Q760 HydrophobicContact CE1-CB 3.63Å; F648-Q760 HydrophobicContact CE1-CG 3.83Å; F648-Q760 HydrophobicContact CZ-CB 3.93Å; F648-Q760 HydrophobicContact CZ-CG 4.25Å; F648-Q760 WeakPolarHBondContact CZ-O 3.47Å; F648-E763 HydrophobicContact CE2-CB 4.18Å; F648-E763 HydrophobicContact CE2-CG 4.18Å; F648-E763 HydrophobicContact CZ-CB 4.24Å; F648-L764 HydrophobicContact CE1-CD2 4.09Å; F648-L764 HydrophobicContact CE1-CG 4.4Å; F648-L764 HydrophobicContact CE2-CD2 4.25Å; F648-L764 HydrophobicContact CZ-CD2 3.52Å; F648-L764 HydrophobicContact CZ-CG 3.98Å; F648-I820 HydrophobicContact CB-CD1 3.65Å; F648-I820 HydrophobicContact CB-CG1 3.8Å; F648-I820 HydrophobicContact CB-CG2 4.32Å; F648-I820 HydrophobicContact CD2-CD1 4.05Å; F648-I820 HydrophobicContact CG-CD1 4.01Å; F648-N914 PolarHBondContact O-ND2 3.46Å; F648-I916 HydrophobicContact CB-CG2 4.13Å; F648-I916 HydrophobicContact CD1-CD1 4.37Å; F648-I916 HydrophobicContact CD1-CG2 3.6Å; F648-I916 HydrophobicContact CE1-CD1 4.25Å; F648-I916 HydrophobicContact CE1-CG2 4.23Å; F648-I916 HydrophobicContact CE2-CD1 4.45Å; F648-I916 HydrophobicContact CG-CD1 4.49Å; F648-I916 HydrophobicContact CG-CG2 4Å; F648-I916 HydrophobicContact CZ-CD1 4.3Å
649S93.9Very high94Very high36 Ų3656.2 Ų56.225%0.25231%0.305SS..SBendtrans-68150.5170.570.20000110.6S646 V651 S652 L653S646-S649 WeakPolarHBondContact O-CB 3.49Å; S646-S649 PolarHBondContact O-N 2.97Å; S646-S649 PolarHBondContact O-OG 2.99Å; S649-V651 PolarHBondContact O-N 3.15Å; S649-V651 VanDerWaalsContact O-N 3.15Å; S649-S652 PolarHBondContact O-N 3.12Å; S649-S652 VanDerWaalsContact O-N 3.16Å; S649-S652 PolarHBondContact OG-N 3.4Å; S649-L653 WeakPolarHBondContact O-CG 3.3Å; S649-L653 PolarHBondContact O-N 3.49Å
650T93Very high94Very high18 Ų1855.6 Ų55.611%0.1129%0.291CS..Hα-helixtrans-61.7-25.2179.8-44.10000112.4L654 I695 Q702 L797 N914T650-L654 WeakPolarHBondContact O-CB 3.48Å; T650-L654 PolarHBondContact O-N 3.45Å; T650-L654 VanDerWaalsContact O-N 3.12Å; T650-I695 HydrophobicContact CG2-CD1 4.34Å; T650-I695 HydrophobicContact CG2-CG1 4.45Å; T650-Q702 PolarHBondContact OG1-OE1 3.28Å; T650-L797 HydrophobicContact CG2-CD1 4.44Å; T650-N914 PolarHBondContact N-ND2 2.83Å; T650-N914 PolarHBondContact OG1-ND2 2.97Å; T650-N914 PolarHBondContact OG1-OD1 3.45Å
651V93.2Very high94Very high87 Ų8760.6 Ų60.653%0.52731%0.311SS..Hα-helixtrans-68.6-55.3173.2-179.90000110.3S649 L653 L654 E655S649-V651 PolarHBondContact O-N 3.15Å; S649-V651 VanDerWaalsContact O-N 3.15Å; V651-L653 VanDerWaalsContact C-N 3.32Å; V651-L653 PolarHBondContact O-N 2.92Å; V651-L654 WeakPolarHBondContact O-CB 3.32Å; V651-L654 PolarHBondContact O-N 2.88Å; V651-L654 VanDerWaalsContact O-N 3.11Å; V651-E655 HydrophobicContact CG1-CG 4.31Å; V651-E655 WeakPolarHBondContact CG1-OE1 3.45Å; V651-E655 WeakPolarHBondContact O-CG 3.33Å; V651-E655 PolarHBondContact O-N 3.37Å
652S93.5Very high93.9Very high24 Ų2459.4 Ų59.417%0.16831%0.305CS..Hα-helixtrans-61.8-37.6-178.5-1740000112.9S646 S649 K656S646-S652 WeakPolarHBondContact O-CB 3.37Å; S649-S652 PolarHBondContact O-N 3.12Å; S649-S652 VanDerWaalsContact O-N 3.16Å; S649-S652 PolarHBondContact OG-N 3.4Å; S652-K656 WeakPolarHBondContact O-CB 3.39Å; S652-K656 PolarHBondContact O-N 3.49Å; S652-K656 VanDerWaalsContact O-N 3.12Å
653L94.3Very high93.9Very high0 Ų050.6 Ų50.60%027%0.273CS..Hα-helixtrans-68.2-38.8175.6-63173000112.2S649 V651 A657 I695 F749 L751 W757 V795 L797S649-L653 WeakPolarHBondContact O-CG 3.3Å; S649-L653 PolarHBondContact O-N 3.49Å; V651-L653 VanDerWaalsContact C-N 3.32Å; V651-L653 PolarHBondContact O-N 2.92Å; L653-A657 PolarHBondContact O-N 3.31Å; L653-A657 VanDerWaalsContact O-N 3.15Å; L653-I695 HydrophobicContact CB-CD1 3.46Å; L653-I695 VanDerWaalsContact CB-CD1 3.46Å; L653-F749 HydrophobicContact CB-CZ 4.26Å; L653-F749 HydrophobicContact CD1-CE1 4.38Å; L653-F749 HydrophobicContact CD2-CE1 4.04Å; L653-L751 HydrophobicContact CD2-CD2 4.3Å; L653-W757 HydrophobicContact CD2-CE3 4.22Å; L653-W757 HydrophobicContact CD2-CH2 4.03Å; L653-W757 HydrophobicContact CD2-CZ3 3.61Å; L653-V795 HydrophobicContact CD1-CB 4.33Å; L653-V795 HydrophobicContact CD1-CG1 4.04Å; L653-V795 HydrophobicContact CD1-CG2 4.01Å; L653-L797 HydrophobicContact CD1-CD2 4.19Å
654L93Very high93.9Very high51 Ų5150 Ų5027%0.26727%0.27SS..Hα-helixtrans-67.2-42.8176.2172.261.3000112.2T650 V651 K656 P658 I695T650-L654 WeakPolarHBondContact O-CB 3.48Å; T650-L654 PolarHBondContact O-N 3.45Å; T650-L654 VanDerWaalsContact O-N 3.12Å; V651-L654 WeakPolarHBondContact O-CB 3.32Å; V651-L654 PolarHBondContact O-N 2.88Å; V651-L654 VanDerWaalsContact O-N 3.11Å; L654-K656 VanDerWaalsContact C-N 3.32Å; L654-P658 HydrophobicContact CD1-CB 4.12Å; L654-P658 WeakPolarHBondContact O-CA 3.4Å; L654-P658 WeakPolarHBondContact O-CD 3.36Å; L654-I695 HydrophobicContact CB-CD1 4.41Å; L654-I695 HydrophobicContact CB-CG1 4.25Å; L654-I695 HydrophobicContact CD1-CG2 4.35Å
655E93.3Very high93.9Very high150 Ų15047.7 Ų47.770%0.70126%0.257SS*.Hα-helixtrans-64.5-36.5177.5-72.5170161.200112V651V651-E655 HydrophobicContact CG1-CG 4.31Å; V651-E655 WeakPolarHBondContact CG1-OE1 3.45Å; V651-E655 WeakPolarHBondContact O-CG 3.33Å; V651-E655 PolarHBondContact O-N 3.37Å
656K92.8Very high93.9Very high65 Ų6548 Ų4828%0.28326%0.26SS..Hα-helixtrans-80-36.3-177-152.9179.8-149.1-167.40113.8S652 L654 L756 W757 D759S652-K656 WeakPolarHBondContact O-CB 3.39Å; S652-K656 PolarHBondContact O-N 3.49Å; S652-K656 VanDerWaalsContact O-N 3.12Å; L654-K656 VanDerWaalsContact C-N 3.32Å; K656-L756 WeakPolarHBondContact CD-O 3.38Å; K656-L756 WeakPolarHBondContact CE-O 3.42Å; K656-L756 PolarHBondContact NZ-O 3.12Å; K656-W757 HydrophobicContact CB-CH2 4.42Å; K656-W757 HydrophobicContact CB-CZ3 3.94Å; K656-W757 HydrophobicContact CD-CE3 3.79Å; K656-W757 HydrophobicContact CD-CZ3 3.71Å; K656-W757 HydrophobicContact CG-CZ3 4.24Å; K656-D759 IonicContact NZ-OD2 2.76Å; K656-D759 PolarHBondContact NZ-OD2 3.11Å
657A93.1Very high93.9Very high12 Ų1245.2 Ų45.210%0.09924%0.24CC..  trans-151.474.3-175.400000112.2L653 D659 H660 I695 L756 W757L653-A657 PolarHBondContact O-N 3.31Å; L653-A657 VanDerWaalsContact O-N 3.15Å; A657-D659 VanDerWaalsContact C-N 3.29Å; A657-D659 PolarHBondContact O-N 3.31Å; A657-H660 HydrophobicContact CB-CB 3.86Å; A657-H660 VanDerWaalsContact O-CB 3.24Å; A657-H660 WeakPolarHBondContact O-CB 3.38Å; A657-H660 PolarHBondContact O-N 3.44Å; A657-I695 WeakPolarHBondContact O-CG2 3.4Å; A657-L756 HydrophobicContact CB-CD1 4.25Å; A657-L756 HydrophobicContact CB-CD2 3.94Å; A657-L756 HydrophobicContact CB-CG 4.47Å; A657-W757 HydrophobicContact CB-CH2 3.69Å; A657-W757 HydrophobicContact CB-CZ2 3.88Å
658P92.5Very high93.6Very high57 Ų5744.4 Ų44.437%0.3724%0.236SC..THydrogen-bonded Turntrans-61.9-33.2-169.322.5-33.8000114.3L654 H660 I695 S696L654-P658 HydrophobicContact CD1-CB 4.12Å; L654-P658 WeakPolarHBondContact O-CA 3.4Å; L654-P658 WeakPolarHBondContact O-CD 3.36Å; P658-H660 VanDerWaalsContact C-N 3.34Å; P658-I695 VanDerWaalsContact O-CG2 3.26Å; P658-I695 WeakPolarHBondContact O-CG2 3.46Å; P658-S696 WeakPolarHBondContact O-CB 3.39Å; P658-S696 PolarHBondContact O-N 2.87Å; P658-S696 PolarHBondContact O-OG 3.39Å
659D92.2Very high93.2Very high138 Ų13846.5 Ų46.574%0.73825%0.246SC*.THydrogen-bonded Turntrans-91.36.4-179.3-59.1-45.8000113.5A657A657-D659 VanDerWaalsContact C-N 3.29Å; A657-D659 PolarHBondContact O-N 3.31Å
660H93.5Very high92.8Very high49 Ų4945.7 Ų45.723%0.22724%0.238CC..  trans-63.7138.3177.3-161.494.1000111.2A657 P658 S694 I695 F749 D750A657-H660 HydrophobicContact CB-CB 3.86Å; A657-H660 VanDerWaalsContact O-CB 3.24Å; A657-H660 WeakPolarHBondContact O-CB 3.38Å; A657-H660 PolarHBondContact O-N 3.44Å; P658-H660 VanDerWaalsContact C-N 3.34Å; H660-S694 WeakPolarHBondContact O-CA 3.4Å; H660-I695 HydrophobicContact CB-CG2 4.43Å; H660-I695 PolarHBondContact O-N 2.76Å; H660-F749 HydrophobicContact CB-CE2 3.94Å; H660-F749 HydrophobicContact CB-CZ 4.02Å; H660-F749 AromaticContact CD2-CD2 3.88Å; H660-F749 AromaticContact CD2-CE2 3.49Å; H660-F749 VanDerWaalsContact CD2-CE2 3.49Å; H660-F749 WeakPolarHBondContact CD2-CE2 3.35Å; H660-F749 AromaticContact CD2-CZ 3.59Å; H660-F749 AromaticContact CG-CE2 3.96Å; H660-F749 AromaticContact CG-CZ 3.87Å; H660-D750 PolarHBondContact NE2-O 2.6Å
661Q94.1Very high92.4Very high121 Ų12147.8 Ų47.857%0.56525%0.248SC*.EExtended strand (participates in β ladder)trans-72.7146.1-171.6-175171.195.500112.4F692 S693Q661-F692 HydrophobicContact CG-CD1 4.15Å; Q661-S693 CarbonylContact C-O 3.52Å; Q661-S693 WeakPolarHBondContact CA-O 3.44Å
662V93.4Very high92Very high1 Ų144 Ų441%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-127.3131.2173.5-164.90000108.7V664 F692 S693 I695 F749V662-V664 HydrophobicContact CB-CG2 4.08Å; V662-V664 HydrophobicContact CG1-CG2 3.98Å; V662-V664 PolarHBondContact O-N 3.3Å; V662-F692 WeakPolarHBondContact O-CA 3.45Å; V662-S693 PolarHBondContact N-O 2.96Å; V662-S693 PolarHBondContact O-N 2.8Å; V662-I695 HydrophobicContact CG2-CB 4.07Å; V662-F749 HydrophobicContact CG2-CD2 4.16Å
663E95.6Very high91.4Very high28 Ų2846.3 Ų46.313%0.13123%0.233CC..EExtended strand (participates in β ladder)trans-80.9113.6168.1-169.1171.9-175.100107.8H665 R690 F692 A747 N748E663-H665 IonicContact OE1-NE2 3.67Å; E663-R690 HydrophobicContact CG-CG 4.01Å; E663-R690 WeakPolarHBondContact OE1-CD 3.29Å; E663-R690 IonicContact OE1-CZ 3.98Å; E663-R690 IonicContact OE1-NE 2.74Å; E663-R690 IonicContact OE1-NH1 2.75Å; E663-R690 PolarHBondContact OE1-NH1 3.27Å; E663-F692 HydrophobicContact CB-CD1 4.3Å; E663-F692 HydrophobicContact CB-CE1 4.03Å; E663-F692 HydrophobicContact CG-CD1 4.41Å; E663-F692 HydrophobicContact CG-CE1 3.85Å; E663-F692 HydrophobicContact CG-CZ 4.33Å; E663-A747 PolarHBondContact N-O 3.41Å; E663-A747 PolarHBondContact O-N 2.93Å; E663-N748 HydrophobicContact CB-CB 4.29Å; E663-N748 WeakPolarHBondContact OE2-CB 3.42Å; E663-N748 PolarHBondContact OE2-ND2 3.44Å
664V95.5Very high90.8Very high5 Ų551.3 Ų51.33%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-110.3111.5-170.91800000110.2V662 T691 Y698 K744 F745V662-V664 HydrophobicContact CB-CG2 4.08Å; V662-V664 HydrophobicContact CG1-CG2 3.98Å; V662-V664 PolarHBondContact O-N 3.3Å; V664-T691 PolarHBondContact N-O 3.27Å; V664-T691 PolarHBondContact O-N 3.28Å; V664-T691 PolarHBondContact O-OG1 3.32Å; V664-Y698 HydrophobicContact CG1-CD2 4.45Å; V664-Y698 HydrophobicContact CG1-CE2 4.45Å; V664-Y698 HydrophobicContact CG2-CD2 4.01Å; V664-K744 HydrophobicContact CG1-CB 3.8Å; V664-K744 HydrophobicContact CG1-CD 4.22Å; V664-K744 HydrophobicContact CG1-CG 4.25Å; V664-F745 WeakPolarHBondContact CA-O 3.16Å
665H95.6Very high90.7Very high31 Ų3149.2 Ų49.214%0.14424%0.244CC..EExtended strand (participates in β ladder)trans-91.9115.8175.7-66.6-99000110.1E663 Q667 S688 V689 K744 F745E663-H665 IonicContact OE1-NE2 3.67Å; H665-Q667 HydrophobicContact CB-CG 4.21Å; H665-S688 PolarHBondContact ND1-OG 2.97Å; H665-S688 VanDerWaalsContact ND1-OG 3.1Å; H665-V689 WeakPolarHBondContact CA-O 3.44Å; H665-K744 CarbonylContact O-C 3.53Å; H665-K744 WeakPolarHBondContact O-CA 3.46Å; H665-F745 HydrophobicContact CB-CB 4.44Å; H665-F745 PolarHBondContact N-O 3.49Å; H665-F745 PolarHBondContact O-N 3.46Å
666T94.9Very high90.4Very high32 Ų3244.3 Ų44.320%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-81.1124.3168.1-55.30000108.9V689 E742 I743T666-V689 PolarHBondContact N-O 3.19Å; T666-V689 PolarHBondContact O-N 3.26Å; T666-E742 HydrophobicContact CG2-CB 4.45Å; T666-I743 WeakPolarHBondContact CA-O 3.48Å
667Q93.4Very high89.9Confident6 Ų642.6 Ų42.63%0.02822%0.217CC..EExtended strand (participates in β ladder)trans-134.9168.8-171.7-62.1-179.8-14.200109.8H665 F686 S688 E742 I743 R803H665-Q667 HydrophobicContact CB-CG 4.21Å; Q667-F686 HydrophobicContact CB-CZ 4.45Å; Q667-F686 HydrophobicContact CG-CZ 3.97Å; Q667-S688 PolarHBondContact NE2-OG 3.06Å; Q667-E742 WeakPolarHBondContact O-CA 3.32Å; Q667-I743 HydrophobicContact CB-CG1 4.18Å; Q667-I743 PolarHBondContact N-O 3.29Å; Q667-I743 WeakPolarHBondContact O-CG1 3.44Å; Q667-I743 PolarHBondContact O-N 3.38Å; Q667-R803 PolarHBondContact NE2-O 3.39Å
668I88.9Confident89.2Confident22 Ų2249.4 Ų49.411%0.11324%0.244CC..EExtended strand (participates in β ladder)trans-101.3130.3175.3-56.9178.7000109.8Q670 L740I668-Q670 HydrophobicContact CB-CG 4.32Å; I668-Q670 HydrophobicContact CG2-CG 3.78Å; I668-Q670 PolarHBondContact O-N 2.72Å; I668-L740 HydrophobicContact CD1-CD1 4.36Å; I668-L740 HydrophobicContact CG2-CB 3.7Å; I668-L740 HydrophobicContact CG2-CD1 4.32Å; I668-L740 HydrophobicContact CG2-CD2 4.08Å; I668-L740 HydrophobicContact CG2-CG 4.25Å
669E88.2Confident88.6Confident44 Ų4454.2 Ų54.221%0.20626%0.259CS..  trans-69.4112.3174.9-171.6175.2175.600110.5K741 I743 V893E669-K741 HydrophobicContact CB-CB 4.4Å; E669-K741 PolarHBondContact N-O 2.86Å; E669-K741 IonicContact OE1-NZ 3.27Å; E669-K741 WeakPolarHBondContact OE2-CD 3.36Å; E669-K741 WeakPolarHBondContact OE2-CE 3.16Å; E669-K741 IonicContact OE2-NZ 3.96Å; E669-K741 PolarHBondContact OE2-NZ 2.84Å; E669-I743 HydrophobicContact CB-CD1 4.12Å; E669-I743 HydrophobicContact CB-CG1 4.32Å; E669-I743 HydrophobicContact CB-CG2 3.98Å; E669-V893 HydrophobicContact CG-CG2 4.01Å
670Q85.9Confident88Confident19 Ų1949.3 Ų49.39%0.08924%0.241CC..  trans-144.8150.5-178.4-55.5-17321.900111.2I668 L676 R803 H890I668-Q670 HydrophobicContact CB-CG 4.32Å; I668-Q670 HydrophobicContact CG2-CG 3.78Å; I668-Q670 PolarHBondContact O-N 2.72Å; Q670-L676 PolarHBondContact NE2-O 3.25Å; Q670-R803 VanDerWaalsContact C-NH2 3.32Å; Q670-R803 PolarHBondContact O-NH2 3.26Å; Q670-H890 PolarHBondContact O-CE1 2.87Å
671L83.8Confident87.4Confident62 Ų6251.6 Ų51.633%0.32525%0.252SS..  trans-60.6142.8174.8-65.6176.9000112.1E673 K674 R803 L895L671-E673 VanDerWaalsContact C-N 3.27Å; L671-E673 PolarHBondContact O-N 2.76Å; L671-K674 PolarHBondContact O-N 2.96Å; L671-K674 VanDerWaalsContact O-O 3.05Å; L671-R803 VanDerWaalsContact C-NH2 3.34Å; L671-R803 PolarHBondContact O-NH2 2.89Å; L671-L895 HydrophobicContact CD2-CD2 3.7Å
672P84.5Confident87Confident8 Ų850.4 Ų50.45%0.05225%0.247CC..THydrogen-bonded Turntrans-63.1-25.8-16923-31.8000114.6K674 E826 F828 W855 H890P672-K674 PolarHBondContact O-N 3.41Å; P672-E826 VanDerWaalsContact CG-OE2 3.26Å; P672-E826 WeakPolarHBondContact CG-OE2 3.17Å; P672-F828 HydrophobicContact CB-CE2 3.91Å; P672-F828 HydrophobicContact CB-CZ 3.9Å; P672-W855 HydrophobicContact CB-CZ2 4.35Å; P672-W855 PolarHBondContact O-NE1 2.9Å; P672-H890 HydrophobicContact CB-CB 4.06Å
673E81.5Confident86.7Confident71 Ų7151.8 Ų51.833%0.33226%0.257SS..THydrogen-bonded Turntrans-71.7-7.7173.8-58.680.6-17600113.7L671 L858 R870L671-E673 VanDerWaalsContact C-N 3.27Å; L671-E673 PolarHBondContact O-N 2.76Å; E673-L858 HydrophobicContact CB-CD1 4.38Å; E673-L858 HydrophobicContact CG-CD1 4.07Å; E673-R870 IonicContact OE1-CZ 3.86Å; E673-R870 IonicContact OE1-NH1 2.85Å; E673-R870 PolarHBondContact OE1-NH1 3.01Å; E673-R870 IonicContact OE1-NH2 3.36Å; E673-R870 PolarHBondContact OE1-NH2 3.4Å
674K81.6Confident86.5Confident106 Ų10650.7 Ų50.746%0.46125%0.252SS..  trans-127.3142.6-171.2-63.1-177.7-179.1177.60112L671 P672 M682 R803L671-K674 PolarHBondContact O-N 2.96Å; L671-K674 VanDerWaalsContact O-O 3.05Å; P672-K674 PolarHBondContact O-N 3.41Å; K674-M682 HydrophobicContact CB-SD 4.22Å; K674-M682 HydrophobicContact CG-SD 4.31Å; K674-R803 PolarHBondContact O-NH1 3.06Å; K674-R803 PolarHBondContact O-NH2 2.9Å
675N90.2Very high86.4Confident7 Ų754 Ų544%0.03727%0.267CS..  trans-138.7102.3165.9-175.157.8000107.9M682 S683 Q685 F686 W855N675-M682 WeakPolarHBondContact O-CA 3.34Å; N675-S683 PolarHBondContact ND2-O 3.27Å; N675-S683 PolarHBondContact O-N 3.44Å; N675-Q685 PolarHBondContact ND2-O 2.92Å; N675-F686 WeakPolarHBondContact OD1-CD2 3.4Å; N675-W855 HydrophobicContact CB-CB 3.85Å; N675-W855 HydrophobicContact CB-CG 3.99Å
676L86.6Confident86.2Confident46 Ų4653 Ų5324%0.24126%0.262CS..BIsolated β-bridgetrans-102.5132.9-176.6-56.7177.7000109.8Q670 E681 M682Q670-L676 PolarHBondContact NE2-O 3.25Å; L676-E681 CarbonylContact C-O 3.59Å; L676-E681 VanDerWaalsContact CA-O 3.3Å; L676-E681 WeakPolarHBondContact CA-O 2.97Å; L676-M682 HydrophobicContact CD2-CG 3.98Å; L676-M682 HydrophobicContact CD2-SD 3.62Å
677N83.1Confident85.8Confident30 Ų3054.6 Ų54.616%0.1627%0.268CS..  trans-73.2175.2170.672.415.2000111.5K679 G680 E681N677-K679 PolarHBondContact O-N 3.18Å; N677-K679 WeakPolarHBondContact OD1-CA 3.33Å; N677-K679 WeakPolarHBondContact OD1-CB 3.44Å; N677-K679 PolarHBondContact OD1-N 2.69Å; N677-G680 PolarHBondContact O-N 3.14Å; N677-G680 PolarHBondContact OD1-N 3.43Å; N677-E681 PolarHBondContact N-O 3.47Å; N677-E681 PolarHBondContact ND2-OE2 2.99Å; N677-E681 PolarHBondContact OD1-N 3.43Å
678K78.5Confident85.7Confident155 Ų15555.8 Ų55.867%0.67428%0.276SS*.THydrogen-bonded Turntrans-60-10.2178.5-59.2-167-170.6-163.90116E687K678-E687 WeakPolarHBondContact CE-OE2 3.37Å; K678-E687 IonicContact NZ-OE2 3.29Å
679K80.4Confident85.9Confident158 Ų15858.9 Ų58.969%0.68730%0.296SS*.THydrogen-bonded Turntrans-94.7-8.5173.7-56.1161.2173.2179.60113N677 E681N677-K679 PolarHBondContact O-N 3.18Å; N677-K679 WeakPolarHBondContact OD1-CA 3.33Å; N677-K679 WeakPolarHBondContact OD1-CB 3.44Å; N677-K679 PolarHBondContact OD1-N 2.69Å; K679-E681 HydrophobicContact CB-CG 4.11Å; K679-E681 VanDerWaalsContact CD-CD 3.47Å; K679-E681 HydrophobicContact CD-CG 4.49Å; K679-E681 WeakPolarHBondContact CD-OE2 3.37Å; K679-E681 IonicContact NZ-OE1 3.45Å; K679-E681 IonicContact NZ-OE2 3.9Å; K679-E681 PolarHBondContact NZ-OE2 3.38Å
680G78Confident86.2Confident35 Ų3564.1 Ų64.136%0.36131%0.314SS..SBendtrans85.214.5-173.800000114.6N677N677-G680 PolarHBondContact O-N 3.14Å; N677-G680 PolarHBondContact OD1-N 3.43Å
681E82.6Confident86.6Confident96 Ų9666.2 Ų66.245%0.44933%0.328SS..  trans-89.9143.8175.9-53.3160158.200109.7L676 N677 K679L676-E681 CarbonylContact C-O 3.59Å; L676-E681 VanDerWaalsContact CA-O 3.3Å; L676-E681 WeakPolarHBondContact CA-O 2.97Å; N677-E681 PolarHBondContact N-O 3.47Å; N677-E681 PolarHBondContact ND2-OE2 2.99Å; N677-E681 PolarHBondContact OD1-N 3.43Å; K679-E681 HydrophobicContact CB-CG 4.11Å; K679-E681 VanDerWaalsContact CD-CD 3.47Å; K679-E681 HydrophobicContact CD-CG 4.49Å; K679-E681 WeakPolarHBondContact CD-OE2 3.37Å; K679-E681 IonicContact NZ-OE1 3.45Å; K679-E681 IonicContact NZ-OE2 3.9Å; K679-E681 PolarHBondContact NZ-OE2 3.38Å
682M84.8Confident87.1Confident96 Ų9668.7 Ų68.747%0.47334%0.336SS..BIsolated β-bridgetrans-62.9139.3171.7-73.9-72.4-7200110.6K674 N675 L676K674-M682 HydrophobicContact CB-SD 4.22Å; K674-M682 HydrophobicContact CG-SD 4.31Å; N675-M682 WeakPolarHBondContact O-CA 3.34Å; L676-M682 HydrophobicContact CD2-CG 3.98Å; L676-M682 HydrophobicContact CD2-SD 3.62Å
683S87.7Confident87.5Confident30 Ų3070.6 Ų70.621%0.2135%0.35CS..  trans-147.4145-172.1173.10000110.5N675 Q685N675-S683 PolarHBondContact ND2-O 3.27Å; N675-S683 PolarHBondContact O-N 3.44Å; S683-Q685 PolarHBondContact OG-N 2.93Å; S683-Q685 VanDerWaalsContact OG-N 3.13Å; S683-Q685 PolarHBondContact OG-O 2.91Å; S683-Q685 VanDerWaalsContact OG-O 3.1Å
684W91.8Very high88.1Confident6 Ų668.2 Ų68.22%0.02334%0.341CS..SBendtrans-79.9-33.9166.3-80.163.9000112.2F686 L838 L841 N845 V847 W854 W855 P856 E860 L861W684-F686 PolarHBondContact O-N 3.21Å; W684-L838 HydrophobicContact CH2-CD1 3.88Å; W684-L838 HydrophobicContact CZ3-CD1 3.89Å; W684-L841 HydrophobicContact CH2-CB 3.66Å; W684-L841 HydrophobicContact CH2-CD1 3.92Å; W684-L841 HydrophobicContact CH2-CG 4.42Å; W684-L841 HydrophobicContact CZ2-CB 4.07Å; W684-L841 HydrophobicContact CZ2-CD1 4.28Å; W684-L841 HydrophobicContact CZ3-CB 4.15Å; W684-N845 HydrophobicContact CB-CB 3.86Å; W684-N845 HydrophobicContact CD2-CB 4.36Å; W684-N845 HydrophobicContact CG-CB 3.75Å; W684-N845 PolarHBondContact NE1-ND2 3.46Å; W684-V847 HydrophobicContact CB-CG2 4.06Å; W684-W854 HydrophobicContact CE3-CE3 4.09Å; W684-W854 HydrophobicContact CZ3-CE3 4.03Å; W684-W854 HydrophobicContact CZ3-CZ3 4.23Å; W684-W854 CarbonylContact O-C 3.28Å; W684-W854 WeakPolarHBondContact O-CA 3.06Å; W684-W854 WeakPolarHBondContact O-CB 3.44Å; W684-W855 PolarHBondContact O-N 2.93Å; W684-P856 HydrophobicContact CH2-CB 3.93Å; W684-P856 HydrophobicContact CZ2-CB 4.47Å; W684-P856 HydrophobicContact CZ3-CB 3.96Å; W684-P856 HydrophobicContact CZ3-CG 4.13Å; W684-E860 HydrophobicContact CZ2-CB 4.12Å; W684-E860 PolarHBondContact NE1-OE1 3.3Å; W684-E860 PolarHBondContact NE1-OE2 3.08Å; W684-E860 VanDerWaalsContact NE1-OE2 3.16Å; W684-L861 HydrophobicContact CH2-CD2 3.99Å
685Q92.5Very high88.6Confident75 Ų7563.1 Ų63.135%0.3532%0.319SS..BIsolated β-bridgetrans-62123.4175.8-168.570.42.500109.6N675 S683 D852N675-Q685 PolarHBondContact ND2-O 2.92Å; S683-Q685 PolarHBondContact OG-N 2.93Å; S683-Q685 VanDerWaalsContact OG-N 3.13Å; S683-Q685 PolarHBondContact OG-O 2.91Å; S683-Q685 VanDerWaalsContact OG-O 3.1Å; Q685-D852 PolarHBondContact NE2-OD1 2.91Å
686F91.2Very high88.8Confident8 Ų864.9 Ų64.94%0.03533%0.332CS..  trans-106.3117.8-178.7169.1-123.7000110.3Q667 N675 W684 S688 R803 S853 W855Q667-F686 HydrophobicContact CB-CZ 4.45Å; Q667-F686 HydrophobicContact CG-CZ 3.97Å; N675-F686 WeakPolarHBondContact OD1-CD2 3.4Å; W684-F686 PolarHBondContact O-N 3.21Å; F686-S688 PolarHBondContact O-N 2.9Å; F686-R803 HydrophobicContact CE1-CB 4.06Å; F686-R803 HydrophobicContact CE2-CB 4.24Å; F686-R803 HydrophobicContact CZ-CB 3.58Å; F686-R803 HydrophobicContact CZ-CG 4.39Å; F686-S853 WeakPolarHBondContact CB-O 3.2Å; F686-S853 PolarHBondContact N-O 3.39Å; F686-S853 WeakPolarHBondContact O-CB 3.39Å; F686-W855 HydrophobicContact CB-CB 4.13Å
687E87.8Confident89.1Confident67 Ų6765.7 Ų65.731%0.31334%0.342SS..  trans-79.6112.2-177.5-63.7-173-158.400111.5K678K678-E687 WeakPolarHBondContact CE-OE2 3.37Å; K678-E687 IonicContact NZ-OE2 3.29Å
688S91.1Very high89.6Confident30 Ų3064.6 Ų64.621%0.2134%0.335CS..  trans-139.791.2-176.5-172.80000109.6H665 Q667 F686 R690H665-S688 PolarHBondContact ND1-OG 2.97Å; H665-S688 VanDerWaalsContact ND1-OG 3.1Å; Q667-S688 PolarHBondContact NE2-OG 3.06Å; F686-S688 PolarHBondContact O-N 2.9Å; S688-R690 PolarHBondContact O-N 3.01Å
689V92.4Very high90.3Very high88 Ų8857.6 Ų57.653%0.53331%0.307SS..EExtended strand (participates in β ladder)trans-84.9109.1-172.9-178.80000110.3H665 T666H665-V689 WeakPolarHBondContact CA-O 3.44Å; T666-V689 PolarHBondContact N-O 3.19Å; T666-V689 PolarHBondContact O-N 3.26Å
690R93.7Very high90.8Very high154 Ų15453.1 Ų53.158%0.58129%0.294SS*.EExtended strand (participates in β ladder)trans-72.3134.5177.9175.1165.569.8-176.90.9113E663 S688 F692E663-R690 HydrophobicContact CG-CG 4.01Å; E663-R690 WeakPolarHBondContact OE1-CD 3.29Å; E663-R690 IonicContact OE1-CZ 3.98Å; E663-R690 IonicContact OE1-NE 2.74Å; E663-R690 IonicContact OE1-NH1 2.75Å; E663-R690 PolarHBondContact OE1-NH1 3.27Å; S688-R690 PolarHBondContact O-N 3.01Å; R690-F692 HydrophobicContact CG-CE2 4.41Å
691T95.4Very high91.6Very high63 Ų6354 Ų5439%0.38729%0.287SS..EExtended strand (participates in β ladder)trans-137.2175.6166.659.60000109.5V664V664-T691 PolarHBondContact N-O 3.27Å; V664-T691 PolarHBondContact O-N 3.28Å; V664-T691 PolarHBondContact O-OG1 3.32Å
692F93.7Very high92.1Very high113 Ų11350.3 Ų50.350%0.49627%0.27SS..EExtended strand (participates in β ladder)trans-124.5147.1173.5-67-82.8000110.4Q661 V662 E663 R690Q661-F692 HydrophobicContact CG-CD1 4.15Å; V662-F692 WeakPolarHBondContact O-CA 3.45Å; E663-F692 HydrophobicContact CB-CD1 4.3Å; E663-F692 HydrophobicContact CB-CE1 4.03Å; E663-F692 HydrophobicContact CG-CD1 4.41Å; E663-F692 HydrophobicContact CG-CE1 3.85Å; E663-F692 HydrophobicContact CG-CZ 4.33Å; R690-F692 HydrophobicContact CG-CE2 4.41Å
693S93Very high92.3Very high48 Ų4848 Ų4834%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-151.6-171.5-179.1-156.20000110.9Q661 V662 S697Q661-S693 CarbonylContact C-O 3.52Å; Q661-S693 WeakPolarHBondContact CA-O 3.44Å; V662-S693 PolarHBondContact N-O 2.96Å; V662-S693 PolarHBondContact O-N 2.8Å; S693-S697 VanDerWaalsContact OG-CB 3.25Å; S693-S697 WeakPolarHBondContact OG-CB 3.27Å
694S93.6Very high92.5Very high21 Ų2147.8 Ų47.815%0.14727%0.266CS..EExtended strand (participates in β ladder)trans-110.2159.6173.163.30000111.3H660 S696 S697 Y698H660-S694 WeakPolarHBondContact O-CA 3.4Å; S694-S696 VanDerWaalsContact C-N 3.26Å; S694-S696 WeakPolarHBondContact CB-OG 3.11Å; S694-S696 PolarHBondContact O-N 3.38Å; S694-S696 PolarHBondContact OG-OG 3.34Å; S694-S697 WeakPolarHBondContact O-CB 3.49Å; S694-S697 PolarHBondContact O-N 3.16Å; S694-S697 PolarHBondContact OG-N 3.04Å; S694-S697 VanDerWaalsContact OG-N 3.13Å; S694-S697 PolarHBondContact OG-OG 3.43Å; S694-Y698 PolarHBondContact O-N 3.14Å
695I93.5Very high92.4Very high0 Ų048.2 Ų48.20%027%0.269CS..Hα-helixtrans-67.1-29.7171.7-170.8164.2000111.9T650 L653 L654 A657 P658 H660 V662 S697 Y698 G699 F749 L797T650-I695 HydrophobicContact CG2-CD1 4.34Å; T650-I695 HydrophobicContact CG2-CG1 4.45Å; L653-I695 HydrophobicContact CB-CD1 3.46Å; L653-I695 VanDerWaalsContact CB-CD1 3.46Å; L654-I695 HydrophobicContact CB-CD1 4.41Å; L654-I695 HydrophobicContact CB-CG1 4.25Å; L654-I695 HydrophobicContact CD1-CG2 4.35Å; A657-I695 WeakPolarHBondContact O-CG2 3.4Å; P658-I695 VanDerWaalsContact O-CG2 3.26Å; P658-I695 WeakPolarHBondContact O-CG2 3.46Å; H660-I695 HydrophobicContact CB-CG2 4.43Å; H660-I695 PolarHBondContact O-N 2.76Å; V662-I695 HydrophobicContact CG2-CB 4.07Å; I695-S697 PolarHBondContact O-N 3.01Å; I695-Y698 PolarHBondContact O-N 2.87Å; I695-G699 PolarHBondContact O-N 3.18Å; I695-F749 HydrophobicContact CB-CE2 3.95Å; I695-F749 HydrophobicContact CD1-CD2 4.38Å; I695-F749 HydrophobicContact CD1-CE2 3.74Å; I695-F749 HydrophobicContact CD1-CZ 4.2Å; I695-F749 HydrophobicContact CG1-CE2 4.42Å; I695-F749 HydrophobicContact CG2-CE2 4.13Å; I695-L797 HydrophobicContact CD1-CD1 4.21Å; I695-L797 HydrophobicContact CG1-CD1 4.49Å
696S93Very high92Very high43 Ų4347.7 Ų47.730%0.30127%0.266SS..Hα-helixtrans-58.3-23.6167.356.70000113.9P658 S694 P700P658-S696 WeakPolarHBondContact O-CB 3.39Å; P658-S696 PolarHBondContact O-N 2.87Å; P658-S696 PolarHBondContact O-OG 3.39Å; S694-S696 VanDerWaalsContact C-N 3.26Å; S694-S696 WeakPolarHBondContact CB-OG 3.11Å; S694-S696 PolarHBondContact O-N 3.38Å; S694-S696 PolarHBondContact OG-OG 3.34Å; S696-P700 WeakPolarHBondContact O-CD 3.47Å; S696-P700 WeakPolarHBondContact O-CG 3.41Å
697S92.8Very high91.7Very high64 Ų6454.4 Ų54.445%0.44829%0.291SS..Hα-helixtrans-91.8-41.4171.8-56.50000112.7S693 S694 I695S693-S697 VanDerWaalsContact OG-CB 3.25Å; S693-S697 WeakPolarHBondContact OG-CB 3.27Å; S694-S697 WeakPolarHBondContact O-CB 3.49Å; S694-S697 PolarHBondContact O-N 3.16Å; S694-S697 PolarHBondContact OG-N 3.04Å; S694-S697 VanDerWaalsContact OG-N 3.13Å; S694-S697 PolarHBondContact OG-OG 3.43Å; I695-S697 PolarHBondContact O-N 3.01Å
698Y94.5Very high91.5Very high6 Ų656.4 Ų56.42%0.02430%0.3CS..Hα-helixtrans-78.7-38-172.9-168.7-88.4000113.9V664 S694 I695 Y701 Q702 K744 G746 L797V664-Y698 HydrophobicContact CG1-CD2 4.45Å; V664-Y698 HydrophobicContact CG1-CE2 4.45Å; V664-Y698 HydrophobicContact CG2-CD2 4.01Å; S694-Y698 PolarHBondContact O-N 3.14Å; I695-Y698 PolarHBondContact O-N 2.87Å; Y698-Y701 HydrophobicContact CD2-CD1 4.22Å; Y698-Y701 AromaticContact CE2-CD1 3.86Å; Y698-Y701 HydrophobicContact CE2-CD1 3.86Å; Y698-Y701 HydrophobicContact CE2-CE1 4.16Å; Y698-Y701 WeakPolarHBondContact O-CB 3.4Å; Y698-Y701 PolarHBondContact O-N 3.42Å; Y698-Y701 VanDerWaalsContact O-N 3.12Å; Y698-Q702 HydrophobicContact CE1-CB 4.17Å; Y698-Q702 PolarHBondContact O-N 3.45Å; Y698-K744 HydrophobicContact CE2-CB 4.2Å; Y698-K744 PolarHBondContact OH-O 3.08Å; Y698-G746 VanDerWaalsContact CZ-N 3.27Å; Y698-G746 PolarHBondContact OH-N 2.95Å; Y698-L797 HydrophobicContact CD1-CB 3.88Å; Y698-L797 HydrophobicContact CD1-CD1 3.73Å; Y698-L797 HydrophobicContact CD1-CG 4.47Å; Y698-L797 HydrophobicContact CE1-CB 3.4Å; Y698-L797 VanDerWaalsContact CE1-CB 3.4Å; Y698-L797 HydrophobicContact CE1-CD1 4.17Å; Y698-L797 HydrophobicContact CE1-CG 4.44Å; Y698-L797 WeakPolarHBondContact CE1-O 3.33Å; Y698-L797 PolarHBondContact OH-O 3.04Å
699G92Very high90.9Very high8 Ų855.6 Ų55.68%0.08230%0.295CS..Hα-helixtrans-57.8-50.6178.700000113I695 Y701 Q702 A703I695-G699 PolarHBondContact O-N 3.18Å; G699-Y701 VanDerWaalsContact C-N 3.27Å; G699-Y701 PolarHBondContact O-N 3.38Å; G699-Q702 PolarHBondContact O-N 2.87Å; G699-A703 PolarHBondContact O-N 2.89Å
700P92.7Very high90Very high65 Ų6555.4 Ų55.442%0.42229%0.291SS..Hα-helixtrans-59.4-33.1173.1-28.237.7000114S696 A704S696-P700 WeakPolarHBondContact O-CD 3.47Å; S696-P700 WeakPolarHBondContact O-CG 3.41Å; P700-A704 VanDerWaalsContact O-CB 3.26Å; P700-A704 WeakPolarHBondContact O-CB 3.32Å; P700-A704 PolarHBondContact O-N 3.5Å
701Y94.4Very high89.2Confident52 Ų5253.2 Ų53.220%0.20429%0.29CS..Hα-helixtrans-66.6-48.7173.5165-97000112.1Y698 G699 A703 A704 T705 K744 V799Y698-Y701 HydrophobicContact CD2-CD1 4.22Å; Y698-Y701 AromaticContact CE2-CD1 3.86Å; Y698-Y701 HydrophobicContact CE2-CD1 3.86Å; Y698-Y701 HydrophobicContact CE2-CE1 4.16Å; Y698-Y701 WeakPolarHBondContact O-CB 3.4Å; Y698-Y701 PolarHBondContact O-N 3.42Å; Y698-Y701 VanDerWaalsContact O-N 3.12Å; G699-Y701 VanDerWaalsContact C-N 3.27Å; G699-Y701 PolarHBondContact O-N 3.38Å; Y701-A703 VanDerWaalsContact C-N 3.27Å; Y701-A703 PolarHBondContact O-N 3.02Å; Y701-A704 PolarHBondContact O-N 2.97Å; Y701-A704 VanDerWaalsContact O-N 3.07Å; Y701-T705 HydrophobicContact CD2-CG2 4.15Å; Y701-T705 HydrophobicContact CE1-CG2 4.22Å; Y701-T705 HydrophobicContact CE2-CG2 3.54Å; Y701-T705 PolarHBondContact O-N 3.47Å; Y701-K744 HydrophobicContact CD1-CB 4.3Å; Y701-K744 HydrophobicContact CE1-CB 3.65Å; Y701-K744 HydrophobicContact CE1-CG 4.43Å; Y701-K744 WeakPolarHBondContact CE1-O 3.26Å; Y701-K744 HydrophobicContact CE2-CD 4.4Å; Y701-K744 PolarHBondContact OH-N 2.99Å; Y701-V799 HydrophobicContact CE1-CG1 3.95Å; Y701-V799 HydrophobicContact CE1-CG2 4.49Å
702Q92.6Very high88.1Confident20 Ų2054.6 Ų54.69%0.09329%0.292CS..Hα-helixtrans-58.2-43177.3-163-173.128.700110.4T650 Y698 G699 T705 F706 K798 V799 N914T650-Q702 PolarHBondContact OG1-OE1 3.28Å; Y698-Q702 HydrophobicContact CE1-CB 4.17Å; Y698-Q702 PolarHBondContact O-N 3.45Å; G699-Q702 PolarHBondContact O-N 2.87Å; Q702-T705 PolarHBondContact O-OG1 3.01Å; Q702-F706 PolarHBondContact O-N 3.45Å; Q702-K798 PolarHBondContact NE2-O 3.11Å; Q702-V799 HydrophobicContact CB-CG1 4.47Å; Q702-V799 HydrophobicContact CG-CG1 3.97Å; Q702-N914 PolarHBondContact NE2-OD1 3.37Å; Q702-N914 VanDerWaalsContact NE2-OD1 3.11Å
703A89.6Confident86.8Confident47 Ų4750.4 Ų50.439%0.38827%0.274SS..Hα-helixtrans-72.8-23.1176.100000114.6G699 Y701 R707G699-A703 PolarHBondContact O-N 2.89Å; Y701-A703 VanDerWaalsContact C-N 3.27Å; Y701-A703 PolarHBondContact O-N 3.02Å; A703-R707 WeakPolarHBondContact O-CG 3.48Å; A703-R707 PolarHBondContact O-N 2.95Å; A703-R707 PolarHBondContact O-NE 2.62Å
704A91Very high85.6Confident25 Ų2554.8 Ų54.821%0.20728%0.284CS..Hα-helixtrans-72.4-53.9172.300000110.9P700 Y701 F706 R707 E708P700-A704 VanDerWaalsContact O-CB 3.26Å; P700-A704 WeakPolarHBondContact O-CB 3.32Å; P700-A704 PolarHBondContact O-N 3.5Å; Y701-A704 PolarHBondContact O-N 2.97Å; Y701-A704 VanDerWaalsContact O-N 3.07Å; A704-F706 PolarHBondContact O-N 3.37Å; A704-F706 VanDerWaalsContact O-N 3.15Å; A704-R707 PolarHBondContact O-N 3.35Å; A704-E708 WeakPolarHBondContact O-CG 3.36Å; A704-E708 PolarHBondContact O-N 3.48Å
705T89.2Confident84.6Confident16 Ų1660 Ų6010%0.09831%0.306CS..Hα-helixtrans-56.9-35179.861.70000112.9Y701 Q702 A709 W912Y701-T705 HydrophobicContact CD2-CG2 4.15Å; Y701-T705 HydrophobicContact CE1-CG2 4.22Å; Y701-T705 HydrophobicContact CE2-CG2 3.54Å; Y701-T705 PolarHBondContact O-N 3.47Å; Q702-T705 PolarHBondContact O-OG1 3.01Å; T705-A709 WeakPolarHBondContact O-CB 3.35Å; T705-A709 PolarHBondContact O-N 3.46Å; T705-W912 PolarHBondContact OG1-NE1 2.87Å
706F85.5Confident83.4Confident63 Ų6365.3 Ų65.328%0.27633%0.33SS..Hα-helixtrans-64.8-45.5174.7-179.3-118000112.6Q702 A704 A709 L710 L909 W912Q702-F706 PolarHBondContact O-N 3.45Å; A704-F706 PolarHBondContact O-N 3.37Å; A704-F706 VanDerWaalsContact O-N 3.15Å; F706-A709 PolarHBondContact O-N 2.89Å; F706-L710 HydrophobicContact CD1-CD1 4.17Å; F706-L710 HydrophobicContact CE1-CD1 3.69Å; F706-L710 HydrophobicContact CE2-CD1 4.17Å; F706-L710 HydrophobicContact CE2-CG 4.36Å; F706-L710 HydrophobicContact CZ-CD1 3.69Å; F706-L710 HydrophobicContact CZ-CG 4.34Å; F706-L710 WeakPolarHBondContact O-CG 3.35Å; F706-L710 PolarHBondContact O-N 3.02Å; F706-L710 VanDerWaalsContact O-N 3.14Å; F706-L909 HydrophobicContact CE2-CD2 3.58Å; F706-L909 HydrophobicContact CZ-CD2 3.58Å; F706-W912 HydrophobicContact CB-CD2 4.31Å; F706-W912 HydrophobicContact CB-CG 4.35Å; F706-W912 AromaticContact CD2-CD2 3.68Å; F706-W912 HydrophobicContact CD2-CD2 3.68Å; F706-W912 AromaticContact CD2-CE2 3.99Å; F706-W912 AromaticContact CD2-CE3 3.8Å; F706-W912 HydrophobicContact CD2-CE3 3.8Å; F706-W912 HydrophobicContact CD2-CG 4.09Å; F706-W912 HydrophobicContact CD2-CZ2 4.41Å; F706-W912 HydrophobicContact CD2-CZ3 4.24Å; F706-W912 HydrophobicContact CE2-CE3 4.31Å; F706-W912 HydrophobicContact CG-CD2 4.46Å
707R84Confident81.8Confident149 Ų14968 Ų6856%0.56233%0.333SS*.Hα-helixtrans-67.2-40.4177.2-72.8178-68.4165.81.8111.9A703 A704 L710 L711A703-R707 WeakPolarHBondContact O-CG 3.48Å; A703-R707 PolarHBondContact O-N 2.95Å; A703-R707 PolarHBondContact O-NE 2.62Å; A704-R707 PolarHBondContact O-N 3.35Å; R707-L710 PolarHBondContact O-N 2.98Å; R707-L711 VanDerWaalsContact O-CG 3.29Å; R707-L711 WeakPolarHBondContact O-CG 3.4Å; R707-L711 PolarHBondContact O-N 3.15Å
708E83.9Confident80.4Confident110 Ų11069.9 Ų69.951%0.51433%0.333SS..Hα-helixtrans-58.9-47.3175.4-71.4163.9-177.300111.5A704 L710 L711 E712A704-E708 WeakPolarHBondContact O-CG 3.36Å; A704-E708 PolarHBondContact O-N 3.48Å; E708-L710 PolarHBondContact O-N 3.49Å; E708-L711 WeakPolarHBondContact O-CB 3.48Å; E708-L711 PolarHBondContact O-N 3.05Å; E708-E712 PolarHBondContact O-N 3.21Å
709A79.2Confident78.9Confident12 Ų1272 Ų7210%0.09935%0.352CS..Hα-helixtrans-65.1-37.7178.500000113.5T705 F706 E712 E713 M894 W912T705-A709 WeakPolarHBondContact O-CB 3.35Å; T705-A709 PolarHBondContact O-N 3.46Å; F706-A709 PolarHBondContact O-N 2.89Å; A709-E712 PolarHBondContact O-N 2.91Å; A709-E713 PolarHBondContact O-N 2.73Å; A709-M894 HydrophobicContact CB-CE 3.97Å; A709-W912 HydrophobicContact CB-CH2 3.32Å; A709-W912 HydrophobicContact CB-CZ2 3.59Å; A709-W912 HydrophobicContact CB-CZ3 4.48Å
710L73.4Confident77.3Confident84 Ų8477.8 Ų77.844%0.4438%0.38SS..Hα-helixtrans-64.7-38.6173.3-72.6174000112.1F706 R707 E708 E713 Y714F706-L710 HydrophobicContact CD1-CD1 4.17Å; F706-L710 HydrophobicContact CE1-CD1 3.69Å; F706-L710 HydrophobicContact CE2-CD1 4.17Å; F706-L710 HydrophobicContact CE2-CG 4.36Å; F706-L710 HydrophobicContact CZ-CD1 3.69Å; F706-L710 HydrophobicContact CZ-CG 4.34Å; F706-L710 WeakPolarHBondContact O-CG 3.35Å; F706-L710 PolarHBondContact O-N 3.02Å; F706-L710 VanDerWaalsContact O-N 3.14Å; R707-L710 PolarHBondContact O-N 2.98Å; E708-L710 PolarHBondContact O-N 3.49Å; L710-E713 PolarHBondContact O-N 3.04Å; L710-Y714 WeakPolarHBondContact O-CB 3.3Å; L710-Y714 PolarHBondContact O-N 3.32Å
711L76.8Confident74.9Confident108 Ų10878 Ų7857%0.56539%0.394SS*.Hα-helixtrans-66.2-47.2175-71.5167.2000111.2R707 E708 E713 Y714 E715R707-L711 VanDerWaalsContact O-CG 3.29Å; R707-L711 WeakPolarHBondContact O-CG 3.4Å; R707-L711 PolarHBondContact O-N 3.15Å; E708-L711 WeakPolarHBondContact O-CB 3.48Å; E708-L711 PolarHBondContact O-N 3.05Å; L711-E713 VanDerWaalsContact C-N 3.3Å; L711-E713 PolarHBondContact O-N 3.14Å; L711-Y714 PolarHBondContact O-N 2.92Å; L711-E715 WeakPolarHBondContact O-CG 3.41Å; L711-E715 PolarHBondContact O-N 3.07Å
712E72.3Confident72.6Confident92 Ų9284.9 Ų84.943%0.4342%0.419SS..Hα-helixtrans-54.3-45.1173.2-85.3-165.6-131.700112.2E708 A709 E715 K716E708-E712 PolarHBondContact O-N 3.21Å; A709-E712 PolarHBondContact O-N 2.91Å; E712-E715 PolarHBondContact O-N 2.88Å; E712-K716 WeakPolarHBondContact O-CB 3.13Å; E712-K716 WeakPolarHBondContact O-CD 3.25Å; E712-K716 WeakPolarHBondContact O-CG 3.49Å; E712-K716 PolarHBondContact O-N 2.93Å; E712-K716 WeakPolarHBondContact OE2-CE 3.39Å; E712-K716 IonicContact OE2-NZ 3.95Å; E712-K716 PolarHBondContact OE2-NZ 3.34Å
713E66.8Low70.1Confident26 Ų2691.7 Ų91.712%0.12145%0.451CS..Hα-helixtrans-68.2-40.8-179.6-149.2-148.1151.400111.5A709 L710 L711 K716 R717 R908A709-E713 PolarHBondContact O-N 2.73Å; L710-E713 PolarHBondContact O-N 3.04Å; L711-E713 VanDerWaalsContact C-N 3.3Å; L711-E713 PolarHBondContact O-N 3.14Å; E713-K716 PolarHBondContact O-N 3.37Å; E713-R717 VanDerWaalsContact O-CG 3.28Å; E713-R717 WeakPolarHBondContact O-CG 3.36Å; E713-R717 PolarHBondContact O-N 3.45Å; E713-R717 IonicContact OE1-CZ 3.26Å; E713-R717 IonicContact OE1-NE 3.51Å; E713-R717 PolarHBondContact OE1-NE 3.32Å; E713-R717 IonicContact OE1-NH2 3.37Å; E713-R717 PolarHBondContact OE1-NH2 2.86Å; E713-R717 IonicContact OE2-CZ 3.53Å; E713-R717 IonicContact OE2-NE 3.76Å; E713-R717 IonicContact OE2-NH2 2.79Å; E713-R717 PolarHBondContact OE2-NH2 3.23Å; E713-R908 IonicContact OE1-CZ 3.52Å; E713-R908 IonicContact OE1-NH1 2.98Å; E713-R908 PolarHBondContact OE1-NH1 3.02Å
714Y67.5Low67.5Low139 Ų13994.4 Ų94.455%0.54547%0.468SS..Hα-helixtrans-60.6-43174.5175.4-105.6000111.9L710 L711 R717 K718L710-Y714 WeakPolarHBondContact O-CB 3.3Å; L710-Y714 PolarHBondContact O-N 3.32Å; L711-Y714 PolarHBondContact O-N 2.92Å; Y714-R717 PolarHBondContact O-N 3.02Å; Y714-K718 HydrophobicContact CE1-CD 4.29Å; Y714-K718 VanDerWaalsContact O-CB 3.3Å; Y714-K718 WeakPolarHBondContact O-CB 3.47Å; Y714-K718 PolarHBondContact O-N 3.2Å
715E71.6Confident64.8Low131 Ų13199.4 Ų99.461%0.61250%0.495SS*.Hα-helixtrans-66.9-42.1175.7-70.2-161.4150.900112.7L711 E712 R717 K718 A719L711-E715 WeakPolarHBondContact O-CG 3.41Å; L711-E715 PolarHBondContact O-N 3.07Å; E712-E715 PolarHBondContact O-N 2.88Å; E715-R717 PolarHBondContact O-N 3.25Å; E715-K718 CarbonylContact O-C 3.4Å; E715-K718 PolarHBondContact O-N 3.13Å; E715-K718 VanDerWaalsContact O-N 3.15Å; E715-A719 WeakPolarHBondContact O-CB 3.36Å; E715-A719 PolarHBondContact O-N 2.7Å
716K68Low62.1Low112 Ų112107.8 Ų107.849%0.48753%0.53SS..Hα-helixtrans-58.4-45.4174.3-71.7161.3-166.5168.90111.2E712 E713 K718 A719 I720E712-K716 WeakPolarHBondContact O-CB 3.13Å; E712-K716 WeakPolarHBondContact O-CD 3.25Å; E712-K716 WeakPolarHBondContact O-CG 3.49Å; E712-K716 PolarHBondContact O-N 2.93Å; E712-K716 WeakPolarHBondContact OE2-CE 3.39Å; E712-K716 IonicContact OE2-NZ 3.95Å; E712-K716 PolarHBondContact OE2-NZ 3.34Å; E713-K716 PolarHBondContact O-N 3.37Å; K716-K718 PolarHBondContact O-N 2.86Å; K716-A719 PolarHBondContact O-N 3.03Å; K716-I720 WeakPolarHBondContact O-CG1 3.4Å; K716-I720 PolarHBondContact O-N 2.88Å; K716-I720 VanDerWaalsContact O-N 3.15Å
717R59.1Low59.4Low100 Ų100113.3 Ų113.338%0.37756%0.563SS.*Hα-helixtrans-61-43.5173.7-66.2175.9-160.3178.816.1111.9E713 Y714 E715 A719 I720 G721E713-R717 VanDerWaalsContact O-CG 3.28Å; E713-R717 WeakPolarHBondContact O-CG 3.36Å; E713-R717 PolarHBondContact O-N 3.45Å; E713-R717 IonicContact OE1-CZ 3.26Å; E713-R717 IonicContact OE1-NE 3.51Å; E713-R717 PolarHBondContact OE1-NE 3.32Å; E713-R717 IonicContact OE1-NH2 3.37Å; E713-R717 PolarHBondContact OE1-NH2 2.86Å; E713-R717 IonicContact OE2-CZ 3.53Å; E713-R717 IonicContact OE2-NE 3.76Å; E713-R717 IonicContact OE2-NH2 2.79Å; E713-R717 PolarHBondContact OE2-NH2 3.23Å; Y714-R717 PolarHBondContact O-N 3.02Å; E715-R717 PolarHBondContact O-N 3.25Å; R717-A719 VanDerWaalsContact C-N 3.33Å; R717-A719 PolarHBondContact O-N 2.9Å; R717-I720 PolarHBondContact O-N 3.11Å; R717-G721 PolarHBondContact O-N 3.08Å; R717-G721 VanDerWaalsContact O-N 3.1Å
718K64.6Low57Low102 Ų102110.7 Ų110.744%0.44357%0.573SS.*Hα-helixtrans-67-29.3179.4-171.8176.4-178.6177.80113.3Y714 E715 K716Y714-K718 HydrophobicContact CE1-CD 4.29Å; Y714-K718 VanDerWaalsContact O-CB 3.3Å; Y714-K718 WeakPolarHBondContact O-CB 3.47Å; Y714-K718 PolarHBondContact O-N 3.2Å; E715-K718 CarbonylContact O-C 3.4Å; E715-K718 PolarHBondContact O-N 3.13Å; E715-K718 VanDerWaalsContact O-N 3.15Å; K716-K718 PolarHBondContact O-N 2.86Å
719A62.7Low54.6Low52 Ų52109.7 Ų109.743%0.4358%0.583SS.*Hα-helixtrans-72.7-46.4173.100000111.9E715 K716 R717 G721 R722E715-A719 WeakPolarHBondContact O-CB 3.36Å; E715-A719 PolarHBondContact O-N 2.7Å; K716-A719 PolarHBondContact O-N 3.03Å; R717-A719 VanDerWaalsContact C-N 3.33Å; R717-A719 PolarHBondContact O-N 2.9Å; A719-G721 VanDerWaalsContact C-N 3.29Å; A719-G721 PolarHBondContact O-N 3.12Å; A719-R722 PolarHBondContact O-N 3.45Å
720I57.8Low52.2Low128 Ų128117.6 Ų117.666%0.65662%0.623SS**Hα-helixtrans-57.7-43.8176.7-67.1163.9000110.6K716 R717 R722 Q723K716-I720 WeakPolarHBondContact O-CG1 3.4Å; K716-I720 PolarHBondContact O-N 2.88Å; K716-I720 VanDerWaalsContact O-N 3.15Å; R717-I720 PolarHBondContact O-N 3.11Å; I720-R722 PolarHBondContact O-N 3.5Å; I720-Q723 PolarHBondContact O-N 3.09Å
721G43.3Very low50.2Low70 Ų70119.1 Ų119.172%0.72264%0.636SS**THydrogen-bonded Turntrans-63.2-4.9175.900000116R717 A719R717-G721 PolarHBondContact O-N 3.08Å; R717-G721 VanDerWaalsContact O-N 3.1Å; A719-G721 VanDerWaalsContact C-N 3.29Å; A719-G721 PolarHBondContact O-N 3.12Å
722R45.8Very low48Very low196 Ų196124.1 Ų124.174%0.7465%0.653SS**THydrogen-bonded Turntrans-112.9-4.9179.6-75.3178.3166.1-170.7-5.8114.8A719 I720A719-R722 PolarHBondContact O-N 3.45Å; I720-R722 PolarHBondContact O-N 3.5Å
723Q40.8Very low45.9Very low164 Ų164130.4 Ų130.477%0.76667%0.673SS**  trans-96.412.3-174.4-75.2-169.5-22.500115.4I720I720-Q723 PolarHBondContact O-N 3.09Å
724S34.3Very low44.1Very low104 Ų104139.7 Ų139.773%0.72771%0.707SS**SBendtrans-68.4137.4160-169.40000110
725V34.3Very low42.3Very low129 Ų129142.9 Ų142.978%0.78272%0.723SS**SBendtrans66.564.7179.7-1600000115.5
726K33.3Very low40.4Very low193 Ų193143 Ų14384%0.83973%0.729SS**  -172.1128.8126.3-102.6155-172.4174.80112.6A728K726-A728 PolarHBondContact O-N 2.91Å
727N28.9Very low39.1Very low179 Ų179144.8 Ų144.896%0.95774%0.742SS**  trans-66.9117168.5-69.8-16.3000109.7
728A33Very low38.4Very low94 Ų94148.5 Ų148.578%0.77776%0.764SS**  trans-118.6124.7167.800000108.5K726K726-A728 PolarHBondContact O-N 2.91Å
729A33.7Very low38.1Very low89 Ų89149.4 Ų149.474%0.73678%0.78SS**  trans-68.4152.6-170.700000113.1T731A729-T731 VanDerWaalsContact C-N 3.34Å; A729-T731 PolarHBondContact O-N 3.11Å
730L28.9Very low38.4Very low178 Ų178150.6 Ų150.693%0.93278%0.779SS**  trans-63.390.4171.8-75.681.9000110.6
731T31.5Very low39.6Very low116 Ų116149.6 Ų149.671%0.71277%0.77SS**  trans-85.9115.9162.146.30000108.5A729 R733A729-T731 VanDerWaalsContact C-N 3.34Å; A729-T731 PolarHBondContact O-N 3.11Å; T731-R733 VanDerWaalsContact C-N 3.26Å; T731-R733 PolarHBondContact O-N 2.89Å
732K29.2Very low41.7Very low212 Ų212153 Ų15392%0.92277%0.767SS**  trans-65.582.8174.1-69.2178.4177.7176.90110.1
733R30Very low44Very low225 Ų225143.9 Ų143.985%0.84973%0.733SS**  trans-65.4143.2161.2-72.7-169.1172.7-161-3.4108.5T731T731-R733 VanDerWaalsContact C-N 3.26Å; T731-R733 PolarHBondContact O-N 2.89Å
734R28.7Very low46.6Very low221 Ų221140.6 Ų140.683%0.83472%0.716SS**  trans-62.7154.5-178.5-79.2176163.3154.8-6.8110.1D736R734-D736 PolarHBondContact O-N 2.9Å
735K28.2Very low49.5Very low205 Ų205135.9 Ų135.989%0.89168%0.683SS**  trans-71.377.3161.6-71.3-175.6176.1-176.30108.5L737K735-L737 PolarHBondContact O-N 3.39Å
736D32Very low52.4Low135 Ų135129.8 Ų129.872%0.72265%0.645SS**PPolyproline II helixtrans-66.3124.8157.5-57.3-33.8000105.7R734 Q738R734-D736 PolarHBondContact O-N 2.9Å; D736-Q738 PolarHBondContact O-N 3.49Å
737L41.4Very low55.2Low148 Ų148120.8 Ų120.878%0.77561%0.607SS**PPolyproline II helixtrans-61.6125.1179.5-90.669.3000108.2K735K735-L737 PolarHBondContact O-N 3.39Å
738Q45.4Very low58.1Low179 Ų179114.4 Ų114.484%0.83657%0.573SS**PPolyproline II helixtrans-58.9134.1165.2-74-179.8-28.600107.9D736 L740D736-Q738 PolarHBondContact O-N 3.49Å; Q738-L740 PolarHBondContact O-N 3.25Å
739P56.9Low61Low121 Ų121109.9 Ų109.979%0.78654%0.536SS*.PPolyproline II helixtrans-59.9132.2-179.524.7-33.3000109.4K741P739-K741 PolarHBondContact O-N 3.05Å
740L69.2Low63.8Low77 Ų77106.8 Ų106.840%0.40351%0.507SS..PPolyproline II helixtrans-59.4118.7177-73.4174.7000109.2I668 Q738I668-L740 HydrophobicContact CD1-CD1 4.36Å; I668-L740 HydrophobicContact CG2-CB 3.7Å; I668-L740 HydrophobicContact CG2-CD1 4.32Å; I668-L740 HydrophobicContact CG2-CD2 4.08Å; I668-L740 HydrophobicContact CG2-CG 4.25Å; Q738-L740 PolarHBondContact O-N 3.25Å
741K82.8Confident66.9Low107 Ų10798.3 Ų98.347%0.46546%0.463SS..PPolyproline II helixtrans-78124.4-174.8177.4173.7159.6-143.40110.3E669 P739E669-K741 HydrophobicContact CB-CB 4.4Å; E669-K741 PolarHBondContact N-O 2.86Å; E669-K741 IonicContact OE1-NZ 3.27Å; E669-K741 WeakPolarHBondContact OE2-CD 3.36Å; E669-K741 WeakPolarHBondContact OE2-CE 3.16Å; E669-K741 IonicContact OE2-NZ 3.96Å; E669-K741 PolarHBondContact OE2-NZ 2.84Å; P739-K741 PolarHBondContact O-N 3.05Å
742E88.9Confident69.7Low141 Ų14194.8 Ų94.866%0.65944%0.443SS*.EExtended strand (participates in β ladder)trans-79139172.7-65.3-172.616800110.8T666 Q667T666-E742 HydrophobicContact CG2-CB 4.45Å; Q667-E742 WeakPolarHBondContact O-CA 3.32Å
743I92.7Very high72.6Confident4 Ų487.8 Ų87.82%0.02142%0.416CS..EExtended strand (participates in β ladder)trans-130.8158.9176.352.4168.9000109.5T666 Q667 E669 V799 P800 G801T666-I743 WeakPolarHBondContact CA-O 3.48Å; Q667-I743 HydrophobicContact CB-CG1 4.18Å; Q667-I743 PolarHBondContact N-O 3.29Å; Q667-I743 WeakPolarHBondContact O-CG1 3.44Å; Q667-I743 PolarHBondContact O-N 3.38Å; E669-I743 HydrophobicContact CB-CD1 4.12Å; E669-I743 HydrophobicContact CB-CG1 4.32Å; E669-I743 HydrophobicContact CB-CG2 3.98Å; I743-V799 HydrophobicContact CB-CG2 4.04Å; I743-V799 HydrophobicContact CG2-CG2 4.34Å; I743-P800 WeakPolarHBondContact CD1-O 3.18Å; I743-G801 WeakPolarHBondContact CD1-O 3.49Å
744K95.5Very high75.3Confident96 Ų9677.6 Ų77.642%0.41738%0.381SS..EExtended strand (participates in β ladder)trans-116.9133.4176.1-59.8177.9-178-1800108.9V664 H665 Y698 Y701 V799V664-K744 HydrophobicContact CG1-CB 3.8Å; V664-K744 HydrophobicContact CG1-CD 4.22Å; V664-K744 HydrophobicContact CG1-CG 4.25Å; H665-K744 CarbonylContact O-C 3.53Å; H665-K744 WeakPolarHBondContact O-CA 3.46Å; Y698-K744 HydrophobicContact CE2-CB 4.2Å; Y698-K744 PolarHBondContact OH-O 3.08Å; Y701-K744 HydrophobicContact CD1-CB 4.3Å; Y701-K744 HydrophobicContact CE1-CB 3.65Å; Y701-K744 HydrophobicContact CE1-CG 4.43Å; Y701-K744 WeakPolarHBondContact CE1-O 3.26Å; Y701-K744 HydrophobicContact CE2-CD 4.4Å; Y701-K744 PolarHBondContact OH-N 2.99Å; K744-V799 WeakPolarHBondContact O-CG2 3.37Å
745F95.9Very high78.2Confident5 Ų573.2 Ų73.22%0.02237%0.373CS..EExtended strand (participates in β ladder)trans-115119.8176.6169.9-145.1000109.1V664 H665 A747 H796 K798 R803V664-F745 WeakPolarHBondContact CA-O 3.16Å; H665-F745 HydrophobicContact CB-CB 4.44Å; H665-F745 PolarHBondContact N-O 3.49Å; H665-F745 PolarHBondContact O-N 3.46Å; F745-A747 HydrophobicContact CE1-CB 4.21Å; F745-A747 HydrophobicContact CZ-CB 4.24Å; F745-A747 PolarHBondContact O-N 2.84Å; F745-H796 HydrophobicContact CE2-CB 3.93Å; F745-H796 HydrophobicContact CZ-CB 4.09Å; F745-H796 AromaticContact CZ-CD2 3.74Å; F745-K798 HydrophobicContact CD2-CG 3.84Å; F745-K798 HydrophobicContact CE2-CD 4.35Å; F745-K798 HydrophobicContact CE2-CG 3.47Å; F745-K798 VanDerWaalsContact CE2-CG 3.47Å; F745-K798 HydrophobicContact CZ-CG 4.35Å; F745-R803 WeakPolarHBondContact CD1-O 3.28Å; F745-R803 WeakPolarHBondContact CE1-O 3.34Å
746G95.6Very high81.2Confident0 Ų065.9 Ų65.90%034%0.344CS..EExtended strand (participates in β ladder)trans-82.7105.917300000110.2Y698 H796 L797Y698-G746 VanDerWaalsContact CZ-N 3.27Å; Y698-G746 PolarHBondContact OH-N 2.95Å; G746-H796 CarbonylContact O-C 3.56Å; G746-H796 WeakPolarHBondContact O-CA 3.24Å; G746-L797 PolarHBondContact N-O 3.24Å; G746-L797 PolarHBondContact O-N 3.28Å
747A92.2Very high84.2Confident5 Ų559.4 Ų59.44%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-101.3167.2174.900000111.1E663 F745 F749E663-A747 PolarHBondContact N-O 3.41Å; E663-A747 PolarHBondContact O-N 2.93Å; F745-A747 HydrophobicContact CE1-CB 4.21Å; F745-A747 HydrophobicContact CZ-CB 4.24Å; F745-A747 PolarHBondContact O-N 2.84Å; A747-F749 PolarHBondContact O-N 3.33Å
748N88.4Confident86.7Confident44 Ų4455.4 Ų55.424%0.23529%0.289CS..EExtended strand (participates in β ladder)trans52.430.1163.7-57.9-30.6000116.8E663 D750 R794E663-N748 HydrophobicContact CB-CB 4.29Å; E663-N748 WeakPolarHBondContact OE2-CB 3.42Å; E663-N748 PolarHBondContact OE2-ND2 3.44Å; N748-D750 PolarHBondContact O-N 2.96Å; N748-R794 WeakPolarHBondContact OD1-CD 3.33Å; N748-R794 PolarHBondContact OD1-NH1 3.23Å
749F94.1Very high89Confident0 Ų050.5 Ų50.50%027%0.268CS..EExtended strand (participates in β ladder)trans-63.6120169-176.5-80.2000108.8L653 H660 V662 I695 A747 L751 W757 R794 V795L653-F749 HydrophobicContact CB-CZ 4.26Å; L653-F749 HydrophobicContact CD1-CE1 4.38Å; L653-F749 HydrophobicContact CD2-CE1 4.04Å; H660-F749 HydrophobicContact CB-CE2 3.94Å; H660-F749 HydrophobicContact CB-CZ 4.02Å; H660-F749 AromaticContact CD2-CD2 3.88Å; H660-F749 AromaticContact CD2-CE2 3.49Å; H660-F749 VanDerWaalsContact CD2-CE2 3.49Å; H660-F749 WeakPolarHBondContact CD2-CE2 3.35Å; H660-F749 AromaticContact CD2-CZ 3.59Å; H660-F749 AromaticContact CG-CE2 3.96Å; H660-F749 AromaticContact CG-CZ 3.87Å; V662-F749 HydrophobicContact CG2-CD2 4.16Å; I695-F749 HydrophobicContact CB-CE2 3.95Å; I695-F749 HydrophobicContact CD1-CD2 4.38Å; I695-F749 HydrophobicContact CD1-CE2 3.74Å; I695-F749 HydrophobicContact CD1-CZ 4.2Å; I695-F749 HydrophobicContact CG1-CE2 4.42Å; I695-F749 HydrophobicContact CG2-CE2 4.13Å; A747-F749 PolarHBondContact O-N 3.33Å; F749-L751 HydrophobicContact CD1-CD2 3.93Å; F749-L751 HydrophobicContact CE1-CD2 3.77Å; F749-W757 AromaticContact CE1-CH2 3.73Å; F749-W757 HydrophobicContact CE1-CH2 3.73Å; F749-W757 AromaticContact CE1-CZ2 3.48Å; F749-W757 HydrophobicContact CE1-CZ2 3.48Å; F749-W757 VanDerWaalsContact CE1-CZ2 3.48Å; F749-W757 AromaticContact CZ-CH2 3.63Å; F749-W757 HydrophobicContact CZ-CH2 3.63Å; F749-W757 AromaticContact CZ-CZ2 3.55Å; F749-W757 HydrophobicContact CZ-CZ2 3.55Å; F749-R794 CarbonylContact O-C 3.54Å; F749-R794 WeakPolarHBondContact O-CA 3.19Å; F749-V795 HydrophobicContact CB-CB 4.03Å; F749-V795 WeakPolarHBondContact CB-O 3.35Å; F749-V795 HydrophobicContact CD1-CB 4.2Å; F749-V795 HydrophobicContact CD1-CG2 3.82Å; F749-V795 HydrophobicContact CG-CB 4.42Å; F749-V795 PolarHBondContact N-O 2.98Å; F749-V795 VanDerWaalsContact N-O 3.12Å; F749-V795 PolarHBondContact O-N 3Å
750D93.8Very high90.9Very high23 Ų2344.8 Ų44.812%0.12323%0.231CC..EExtended strand (participates in β ladder)trans-94.3130.1-165.3-170.718.5000113.1H660 N748 S752 W757 I788 T792H660-D750 PolarHBondContact NE2-O 2.6Å; N748-D750 PolarHBondContact O-N 2.96Å; D750-S752 VanDerWaalsContact OD1-CB 3.32Å; D750-S752 WeakPolarHBondContact OD1-CB 3.39Å; D750-S752 PolarHBondContact OD1-N 3.27Å; D750-S752 PolarHBondContact OD1-OG 3.12Å; D750-S752 WeakPolarHBondContact OD2-CB 3.39Å; D750-S752 PolarHBondContact OD2-OG 3.23Å; D750-W757 PolarHBondContact O-NE1 2.99Å; D750-W757 VanDerWaalsContact O-NE1 3.1Å; D750-I788 HydrophobicContact CB-CG2 4.35Å; D750-I788 WeakPolarHBondContact OD2-CG2 3.14Å; D750-T792 PolarHBondContact OD1-OG1 3.45Å; D750-T792 VanDerWaalsContact OD1-OG1 3.07Å
751L93.5Very high92.1Very high1 Ų143 Ų431%0.00522%0.222CC..  trans-103.922.8175.1-54.1179.4000112.5F648 L653 F749 W757 A793 V795F648-L751 HydrophobicContact CD1-CD1 4.11Å; F648-L751 HydrophobicContact CE1-CD1 3.99Å; L653-L751 HydrophobicContact CD2-CD2 4.3Å; F749-L751 HydrophobicContact CD1-CD2 3.93Å; F749-L751 HydrophobicContact CE1-CD2 3.77Å; L751-W757 VanDerWaalsContact CA-CD1 3.45Å; L751-W757 HydrophobicContact CB-CB 4.38Å; L751-W757 HydrophobicContact CB-CG 4.23Å; L751-W757 HydrophobicContact CD2-CB 4.44Å; L751-W757 HydrophobicContact CD2-CD2 3.61Å; L751-W757 HydrophobicContact CD2-CE3 4.02Å; L751-W757 HydrophobicContact CD2-CG 3.8Å; L751-W757 HydrophobicContact CD2-CZ2 4.37Å; L751-A793 HydrophobicContact CB-CB 4.27Å; L751-A793 WeakPolarHBondContact CB-O 3.27Å; L751-A793 HydrophobicContact CD1-CB 4.13Å; L751-A793 PolarHBondContact N-O 2.89Å; L751-V795 HydrophobicContact CD1-CG2 3.66Å; L751-V795 HydrophobicContact CD2-CG2 3.96Å; L751-V795 HydrophobicContact CG-CG2 3.86Å
752S90.7Very high92.7Very high42 Ų4243.4 Ų43.429%0.29422%0.223SC..  trans-66.3-32.2-177.962.20000115.2D750 G754D750-S752 VanDerWaalsContact OD1-CB 3.32Å; D750-S752 WeakPolarHBondContact OD1-CB 3.39Å; D750-S752 PolarHBondContact OD1-N 3.27Å; D750-S752 PolarHBondContact OD1-OG 3.12Å; D750-S752 WeakPolarHBondContact OD2-CB 3.39Å; D750-S752 PolarHBondContact OD2-OG 3.23Å; S752-G754 PolarHBondContact O-N 2.98Å; S752-G754 VanDerWaalsContact O-N 3.1Å
753D89.9Confident93Very high65 Ų6537.3 Ų37.335%0.34820%0.195SC..  trans-70.8103.8178.4-176.8-17.3000110.8N755 L756 W757D753-N755 VanDerWaalsContact C-N 3.26Å; D753-N755 PolarHBondContact O-N 3.49Å; D753-N755 WeakPolarHBondContact OD1-CA 3.46Å; D753-N755 WeakPolarHBondContact OD1-CB 3.31Å; D753-N755 PolarHBondContact OD1-N 3.1Å; D753-L756 HydrophobicContact CB-CB 3.94Å; D753-L756 VanDerWaalsContact CG-CB 3.5Å; D753-L756 PolarHBondContact O-N 2.83Å; D753-L756 PolarHBondContact OD1-N 3.46Å; D753-L756 WeakPolarHBondContact OD2-CB 3.29Å; D753-W757 WeakPolarHBondContact O-CB 3.46Å; D753-W757 PolarHBondContact O-N 3.05Å
754G86.2Confident93.1Very high11 Ų1137.3 Ų37.311%0.11320%0.195CC..THydrogen-bonded Turntrans-68.5-19.9-179.800000114.9S752 N758S752-G754 PolarHBondContact O-N 2.98Å; S752-G754 VanDerWaalsContact O-N 3.1Å; G754-N758 WeakPolarHBondContact O-CA 3.37Å; G754-N758 WeakPolarHBondContact O-CB 3.34Å; G754-N758 PolarHBondContact O-N 2.78Å
755N88.7Confident93Very high128 Ų12835.4 Ų35.468%0.68420%0.197SC*.THydrogen-bonded Turntrans-80.1-47.4176-56.8-65.3000109.9D753D753-N755 VanDerWaalsContact C-N 3.26Å; D753-N755 PolarHBondContact O-N 3.49Å; D753-N755 WeakPolarHBondContact OD1-CA 3.46Å; D753-N755 WeakPolarHBondContact OD1-CB 3.31Å; D753-N755 PolarHBondContact OD1-N 3.1Å
756L92.2Very high93Very high51 Ų5139.6 Ų39.627%0.26722%0.215SC..THydrogen-bonded Turntrans-68.5-46178.8-174.760.3000111.9K656 A657 D753K656-L756 WeakPolarHBondContact CD-O 3.38Å; K656-L756 WeakPolarHBondContact CE-O 3.42Å; K656-L756 PolarHBondContact NZ-O 3.12Å; A657-L756 HydrophobicContact CB-CD1 4.25Å; A657-L756 HydrophobicContact CB-CD2 3.94Å; A657-L756 HydrophobicContact CB-CG 4.47Å; D753-L756 HydrophobicContact CB-CB 3.94Å; D753-L756 VanDerWaalsContact CG-CB 3.5Å; D753-L756 PolarHBondContact O-N 2.83Å; D753-L756 PolarHBondContact OD1-N 3.46Å; D753-L756 WeakPolarHBondContact OD2-CB 3.29Å
757W94.5Very high93Very high0 Ų039.7 Ų39.70%022%0.216CC..THydrogen-bonded Turntrans-101.319.8-171.7-55.5117.4000114.2L653 K656 A657 F749 D750 L751 D753 D759 Q760 L761L653-W757 HydrophobicContact CD2-CE3 4.22Å; L653-W757 HydrophobicContact CD2-CH2 4.03Å; L653-W757 HydrophobicContact CD2-CZ3 3.61Å; K656-W757 HydrophobicContact CB-CH2 4.42Å; K656-W757 HydrophobicContact CB-CZ3 3.94Å; K656-W757 HydrophobicContact CD-CE3 3.79Å; K656-W757 HydrophobicContact CD-CZ3 3.71Å; K656-W757 HydrophobicContact CG-CZ3 4.24Å; A657-W757 HydrophobicContact CB-CH2 3.69Å; A657-W757 HydrophobicContact CB-CZ2 3.88Å; F749-W757 AromaticContact CE1-CH2 3.73Å; F749-W757 HydrophobicContact CE1-CH2 3.73Å; F749-W757 AromaticContact CE1-CZ2 3.48Å; F749-W757 HydrophobicContact CE1-CZ2 3.48Å; F749-W757 VanDerWaalsContact CE1-CZ2 3.48Å; F749-W757 AromaticContact CZ-CH2 3.63Å; F749-W757 HydrophobicContact CZ-CH2 3.63Å; F749-W757 AromaticContact CZ-CZ2 3.55Å; F749-W757 HydrophobicContact CZ-CZ2 3.55Å; D750-W757 PolarHBondContact O-NE1 2.99Å; D750-W757 VanDerWaalsContact O-NE1 3.1Å; L751-W757 VanDerWaalsContact CA-CD1 3.45Å; L751-W757 HydrophobicContact CB-CB 4.38Å; L751-W757 HydrophobicContact CB-CG 4.23Å; L751-W757 HydrophobicContact CD2-CB 4.44Å; L751-W757 HydrophobicContact CD2-CD2 3.61Å; L751-W757 HydrophobicContact CD2-CE3 4.02Å; L751-W757 HydrophobicContact CD2-CG 3.8Å; L751-W757 HydrophobicContact CD2-CZ2 4.37Å; D753-W757 WeakPolarHBondContact O-CB 3.46Å; D753-W757 PolarHBondContact O-N 3.05Å; W757-D759 VanDerWaalsContact C-N 3.33Å; W757-D759 PolarHBondContact O-N 2.81Å; W757-Q760 HydrophobicContact CB-CB 4.44Å; W757-Q760 HydrophobicContact CE3-CG 4.42Å; W757-Q760 WeakPolarHBondContact O-CB 3.4Å; W757-Q760 PolarHBondContact O-N 2.76Å; W757-Q760 VanDerWaalsContact O-N 3.12Å; W757-L761 HydrophobicContact CB-CD1 4.47Å; W757-L761 HydrophobicContact CB-CG 4.4Å; W757-L761 WeakPolarHBondContact O-CG 3.32Å; W757-L761 PolarHBondContact O-N 3.41Å
758N93.7Very high93.1Very high64 Ų6440 Ų4034%0.34222%0.217SC..Hα-helixtrans-45.6-50-176.1-164.2-23.8000114G754 L761 K762G754-N758 WeakPolarHBondContact O-CA 3.37Å; G754-N758 WeakPolarHBondContact O-CB 3.34Å; G754-N758 PolarHBondContact O-N 2.78Å; N758-L761 PolarHBondContact O-N 3.3Å; N758-K762 WeakPolarHBondContact O-CB 3.19Å; N758-K762 WeakPolarHBondContact O-CG 3.38Å; N758-K762 PolarHBondContact O-N 3.09Å; N758-K762 WeakPolarHBondContact OD1-CD 3.33Å; N758-K762 WeakPolarHBondContact OD1-CE 3.22Å; N758-K762 PolarHBondContact OD1-NZ 3.27Å
759D94.2Very high93.3Very high75 Ų7539.6 Ų39.640%0.40122%0.217SC..Hα-helixtrans-69.3-41.5-177.1-43.7-69.7000112.2K656 W757 K762 E763K656-D759 IonicContact NZ-OD2 2.76Å; K656-D759 PolarHBondContact NZ-OD2 3.11Å; W757-D759 VanDerWaalsContact C-N 3.33Å; W757-D759 PolarHBondContact O-N 2.81Å; D759-K762 PolarHBondContact O-N 3.29Å; D759-E763 PolarHBondContact O-N 2.68Å
760Q95.8Very high93.2Very high2 Ų240 Ų401%0.00922%0.219CC..Hα-helixtrans-58.3-47.8171.5-74.776.49.700110.9L647 F648 W757 E763 L764L647-Q760 HydrophobicContact CB-CG 4.21Å; L647-Q760 WeakPolarHBondContact O-CG 3.37Å; L647-Q760 PolarHBondContact O-NE2 3.16Å; F648-Q760 HydrophobicContact CD1-CB 4.36Å; F648-Q760 HydrophobicContact CD1-CG 4.07Å; F648-Q760 HydrophobicContact CE1-CB 3.63Å; F648-Q760 HydrophobicContact CE1-CG 3.83Å; F648-Q760 HydrophobicContact CZ-CB 3.93Å; F648-Q760 HydrophobicContact CZ-CG 4.25Å; F648-Q760 WeakPolarHBondContact CZ-O 3.47Å; W757-Q760 HydrophobicContact CB-CB 4.44Å; W757-Q760 HydrophobicContact CE3-CG 4.42Å; W757-Q760 WeakPolarHBondContact O-CB 3.4Å; W757-Q760 PolarHBondContact O-N 2.76Å; W757-Q760 VanDerWaalsContact O-N 3.12Å; Q760-E763 VanDerWaalsContact O-CB 3.28Å; Q760-E763 WeakPolarHBondContact O-CB 3.14Å; Q760-E763 PolarHBondContact O-N 3.04Å; Q760-E763 VanDerWaalsContact O-N 3.14Å; Q760-L764 WeakPolarHBondContact O-CG 3.34Å; Q760-L764 PolarHBondContact O-N 3.01Å
761L94.7Very high93.3Very high39 Ų3938.9 Ų38.920%0.20421%0.213CC..Hα-helixtrans-68.6-38.4-178.8-64.8174.1000112.8W757 N758 E763 L764 A765 L773W757-L761 HydrophobicContact CB-CD1 4.47Å; W757-L761 HydrophobicContact CB-CG 4.4Å; W757-L761 WeakPolarHBondContact O-CG 3.32Å; W757-L761 PolarHBondContact O-N 3.41Å; N758-L761 PolarHBondContact O-N 3.3Å; L761-E763 PolarHBondContact O-N 2.91Å; L761-L764 HydrophobicContact CD2-CD1 4.49Å; L761-L764 PolarHBondContact O-N 2.57Å; L761-A765 PolarHBondContact O-N 2.83Å; L761-A765 VanDerWaalsContact O-N 3.09Å; L761-L773 HydrophobicContact CD2-CD1 3.78Å
762K94.8Very high93.3Very high115 Ų11541.3 Ų41.350%0.522%0.222SC..Hα-helixtrans-57.5-35.8169.3-79.4164.2172.2149.70112.2N758 D759 A765N758-K762 WeakPolarHBondContact O-CB 3.19Å; N758-K762 WeakPolarHBondContact O-CG 3.38Å; N758-K762 PolarHBondContact O-N 3.09Å; N758-K762 WeakPolarHBondContact OD1-CD 3.33Å; N758-K762 WeakPolarHBondContact OD1-CE 3.22Å; N758-K762 PolarHBondContact OD1-NZ 3.27Å; D759-K762 PolarHBondContact O-N 3.29Å; K762-A765 WeakPolarHBondContact O-CB 3.46Å; K762-A765 PolarHBondContact O-N 3.45Å
763E95.7Very high93.4Very high14 Ų1439.7 Ų39.77%0.06521%0.21CC..Hα-helixtrans-68.1-39.3178-157.458.8-151.900111.8M643 D644 L647 F648 D759 Q760 L761 A765 K766M643-E763 WeakPolarHBondContact CA-OE1 3.34Å; D644-E763 PolarHBondContact N-OE1 2.9Å; L647-E763 HydrophobicContact CD1-CB 4.15Å; L647-E763 HydrophobicContact CD1-CG 4.13Å; F648-E763 HydrophobicContact CE2-CB 4.18Å; F648-E763 HydrophobicContact CE2-CG 4.18Å; F648-E763 HydrophobicContact CZ-CB 4.24Å; D759-E763 PolarHBondContact O-N 2.68Å; Q760-E763 VanDerWaalsContact O-CB 3.28Å; Q760-E763 WeakPolarHBondContact O-CB 3.14Å; Q760-E763 PolarHBondContact O-N 3.04Å; Q760-E763 VanDerWaalsContact O-N 3.14Å; L761-E763 PolarHBondContact O-N 2.91Å; E763-A765 VanDerWaalsContact C-N 3.33Å; E763-A765 PolarHBondContact O-N 3.34Å; E763-K766 WeakPolarHBondContact O-CB 3.5Å; E763-K766 PolarHBondContact O-N 3.43Å; E763-K766 WeakPolarHBondContact OE1-CD 3.49Å; E763-K766 WeakPolarHBondContact OE1-CE 3.37Å; E763-K766 IonicContact OE1-NZ 2.67Å; E763-K766 PolarHBondContact OE1-NZ 3.04Å; E763-K766 WeakPolarHBondContact OE2-CE 3.49Å; E763-K766 IonicContact OE2-NZ 2.65Å; E763-K766 PolarHBondContact OE2-NZ 3.06Å
764L94.9Very high93.4Very high3 Ų340.8 Ų40.82%0.01621%0.21CC..Hα-helixtrans-68-31.2174.9-54.4-173.3000112.7M643 F648 Q760 L761 K766 L767 L773 A793 I916 W918M643-L764 HydrophobicContact CE-CD2 4.3Å; F648-L764 HydrophobicContact CE1-CD2 4.09Å; F648-L764 HydrophobicContact CE1-CG 4.4Å; F648-L764 HydrophobicContact CE2-CD2 4.25Å; F648-L764 HydrophobicContact CZ-CD2 3.52Å; F648-L764 HydrophobicContact CZ-CG 3.98Å; Q760-L764 WeakPolarHBondContact O-CG 3.34Å; Q760-L764 PolarHBondContact O-N 3.01Å; L761-L764 HydrophobicContact CD2-CD1 4.49Å; L761-L764 PolarHBondContact O-N 2.57Å; L764-K766 PolarHBondContact O-N 3.36Å; L764-K766 VanDerWaalsContact O-N 3.12Å; L764-L767 WeakPolarHBondContact O-CB 3.21Å; L764-L767 WeakPolarHBondContact O-CG 3.36Å; L764-L767 PolarHBondContact O-N 2.99Å; L764-L767 VanDerWaalsContact O-N 3.09Å; L764-L773 HydrophobicContact CD1-CD1 3.77Å; L764-A793 HydrophobicContact CD1-CB 3.88Å; L764-I916 HydrophobicContact CD2-CD1 3.51Å; L764-W918 HydrophobicContact CD1-CE3 4.24Å; L764-W918 HydrophobicContact CD1-CH2 4.18Å; L764-W918 HydrophobicContact CD1-CZ3 3.84Å; L764-W918 HydrophobicContact CD2-CH2 3.97Å; L764-W918 HydrophobicContact CD2-CZ3 4.1Å; L764-W918 HydrophobicContact CG-CH2 4.49Å
765A94.1Very high93.6Very high57 Ų5740.7 Ų40.747%0.47121%0.208SC..THydrogen-bonded Turntrans-62.5-16.5176.200000113.8L761 K762 E763 L767 R772L761-A765 PolarHBondContact O-N 2.83Å; L761-A765 VanDerWaalsContact O-N 3.09Å; K762-A765 WeakPolarHBondContact O-CB 3.46Å; K762-A765 PolarHBondContact O-N 3.45Å; E763-A765 VanDerWaalsContact C-N 3.33Å; E763-A765 PolarHBondContact O-N 3.34Å; A765-L767 PolarHBondContact O-N 2.9Å; A765-R772 PolarHBondContact O-NE 2.85Å
766K94.8Very high93.5Very high93 Ų9336.5 Ų36.540%0.40419%0.189SC..THydrogen-bonded Turntrans-67.6-17.2173.3-62.3179.6-179.3172.40113.7M643 E763 L764M643-K766 HydrophobicContact CG-CB 4.41Å; E763-K766 WeakPolarHBondContact O-CB 3.5Å; E763-K766 PolarHBondContact O-N 3.43Å; E763-K766 WeakPolarHBondContact OE1-CD 3.49Å; E763-K766 WeakPolarHBondContact OE1-CE 3.37Å; E763-K766 IonicContact OE1-NZ 2.67Å; E763-K766 PolarHBondContact OE1-NZ 3.04Å; E763-K766 WeakPolarHBondContact OE2-CE 3.49Å; E763-K766 IonicContact OE2-NZ 2.65Å; E763-K766 PolarHBondContact OE2-NZ 3.06Å; L764-K766 PolarHBondContact O-N 3.36Å; L764-K766 VanDerWaalsContact O-N 3.12Å
767L95.4Very high93.3Very high2 Ų234.5 Ų34.51%0.0118%0.179CC..SBendtrans-67.5159.3-179.8-71.4169.2000112.8L637 L641 M643 L764 A765 C771 R772 W918L637-L767 HydrophobicContact CD2-CD2 4.16Å; L637-L767 HydrophobicContact CG-CD2 4.41Å; L641-L767 HydrophobicContact CD1-CD2 3.97Å; M643-L767 HydrophobicContact CE-CD1 4.31Å; M643-L767 HydrophobicContact CE-CD2 4.16Å; M643-L767 HydrophobicContact CE-CG 4.02Å; M643-L767 HydrophobicContact SD-CD2 3.62Å; M643-L767 HydrophobicContact SD-CG 4.01Å; L764-L767 WeakPolarHBondContact O-CB 3.21Å; L764-L767 WeakPolarHBondContact O-CG 3.36Å; L764-L767 PolarHBondContact O-N 2.99Å; L764-L767 VanDerWaalsContact O-N 3.09Å; A765-L767 PolarHBondContact O-N 2.9Å; L767-C771 HydrophobicContact CB-CB 4.09Å; L767-C771 HydrophobicContact CD1-CB 4.38Å; L767-R772 HydrophobicContact CB-CG 4.46Å; L767-R772 PolarHBondContact O-NE 2.76Å; L767-W918 HydrophobicContact CD1-CH2 3.71Å; L767-W918 HydrophobicContact CD1-CZ2 3.57Å
768P94.4Very high93.2Very high11 Ų1134.7 Ų34.77%0.07118%0.18CC..  trans-62.2148.9174.1-17.433.1000110.3A617 L637 F770 C771A617-P768 WeakPolarHBondContact O-CG 3.32Å; L637-P768 HydrophobicContact CD1-CG 4.12Å; P768-F770 VanDerWaalsContact C-N 3.29Å; P768-F770 HydrophobicContact CB-CD1 3.93Å; P768-F770 HydrophobicContact CB-CE1 3.8Å; P768-F770 HydrophobicContact CG-CE1 4.32Å; P768-F770 PolarHBondContact O-N 2.67Å; P768-F770 VanDerWaalsContact O-N 3.09Å; P768-C771 PolarHBondContact O-N 3.18Å
769P92.3Very high93.3Very high35 Ų3531.6 Ų31.623%0.22716%0.164CC..G310 helixtrans-49.8-42.2-171.1-30.835.8000115.2C771 R772 A775P769-C771 PolarHBondContact O-N 2.75Å; P769-C771 VanDerWaalsContact O-N 3.17Å; P769-R772 PolarHBondContact O-N 3.36Å; P769-R772 VanDerWaalsContact O-N 3.12Å; P769-A775 VanDerWaalsContact O-CB 3.3Å; P769-A775 WeakPolarHBondContact O-CB 3.41Å
770F93.3Very high93.3Very high9 Ų928 Ų284%0.03914%0.144CC..G310 helixtrans-65.5-16.2-179.679.6-87.3000114.8L622 Q623 C626 Y627 P768 W880L622-F770 HydrophobicContact CD2-CE1 4.49Å; L622-F770 HydrophobicContact CG-CE1 4.26Å; L622-F770 HydrophobicContact CG-CZ 4.05Å; Q623-F770 HydrophobicContact CB-CD1 3.68Å; Q623-F770 HydrophobicContact CB-CE1 3.88Å; Q623-F770 HydrophobicContact CB-CG 4.03Å; Q623-F770 HydrophobicContact CB-CZ 4.38Å; Q623-F770 HydrophobicContact CG-CB 3.85Å; Q623-F770 HydrophobicContact CG-CD1 3.87Å; Q623-F770 HydrophobicContact CG-CD2 4.18Å; Q623-F770 HydrophobicContact CG-CE1 4.47Å; Q623-F770 HydrophobicContact CG-CG 3.71Å; C626-F770 HydrophobicContact CB-CE2 3.97Å; Y627-F770 HydrophobicContact CE1-CB 4.5Å; Y627-F770 HydrophobicContact CE1-CD2 4.2Å; P768-F770 VanDerWaalsContact C-N 3.29Å; P768-F770 HydrophobicContact CB-CD1 3.93Å; P768-F770 HydrophobicContact CB-CE1 3.8Å; P768-F770 HydrophobicContact CG-CE1 4.32Å; P768-F770 PolarHBondContact O-N 2.67Å; P768-F770 VanDerWaalsContact O-N 3.09Å; F770-W880 HydrophobicContact CD2-CE3 4.18Å; F770-W880 AromaticContact CD2-CZ3 3.85Å; F770-W880 HydrophobicContact CD2-CZ3 3.85Å; F770-W880 HydrophobicContact CE2-CE3 4.07Å; F770-W880 HydrophobicContact CE2-CZ3 4.21Å
771C94.9Very high93.2Very high0 Ų028.6 Ų28.60%015%0.148CC..G310 helixtrans-98.4-8.8175.7-650000113.6L767 P768 P769 I816 W918L767-C771 HydrophobicContact CB-CB 4.09Å; L767-C771 HydrophobicContact CD1-CB 4.38Å; P768-C771 PolarHBondContact O-N 3.18Å; P769-C771 PolarHBondContact O-N 2.75Å; P769-C771 VanDerWaalsContact O-N 3.17Å; C771-I816 HydrophobicContact CB-CD1 4.06Å; C771-I816 HydrophobicContact CB-CG1 4.37Å; C771-W918 VanDerWaalsContact O-CZ2 3.31Å; C771-W918 WeakPolarHBondContact O-CZ2 3.48Å; C771-W918 PolarHBondContact O-NE1 3.43Å
772R94.7Very high93.1Very high52 Ų5228.1 Ų28.120%0.19615%0.145CC..  trans-78.1145.2-172.2-61.3-180-170.2155.71.2112.1D491 A765 L767 P769 Y774 A775 N778D491-R772 IonicContact OD1-CZ 3.79Å; D491-R772 IonicContact OD1-NH1 3.76Å; D491-R772 PolarHBondContact OD1-NH1 3.35Å; D491-R772 IonicContact OD1-NH2 2.75Å; D491-R772 IonicContact OD2-NH1 2.61Å; A765-R772 PolarHBondContact O-NE 2.85Å; L767-R772 HydrophobicContact CB-CG 4.46Å; L767-R772 PolarHBondContact O-NE 2.76Å; P769-R772 PolarHBondContact O-N 3.36Å; P769-R772 VanDerWaalsContact O-N 3.12Å; R772-Y774 WeakPolarHBondContact CB-O 3.17Å; R772-Y774 PolarHBondContact O-N 2.81Å; R772-A775 HydrophobicContact CB-CB 4.29Å; R772-N778 PolarHBondContact O-ND2 3.42Å
773L91.5Very high93Very high8 Ų822.6 Ų22.64%0.04212%0.121CC..SBendtrans-49.2-46.7164.3-74.4165000111.7L761 L764 N778 S781 A793 W918L761-L773 HydrophobicContact CD2-CD1 3.78Å; L764-L773 HydrophobicContact CD1-CD1 3.77Å; L773-N778 PolarHBondContact O-ND2 3.47Å; L773-S781 PolarHBondContact O-OG 3.08Å; L773-S781 VanDerWaalsContact O-OG 3.11Å; L773-A793 HydrophobicContact CD1-CB 4.1Å; L773-A793 HydrophobicContact CD2-CB 4.25Å; L773-W918 HydrophobicContact CD2-CB 3.46Å; L773-W918 VanDerWaalsContact CD2-CB 3.46Å; L773-W918 HydrophobicContact CD2-CD2 4Å; L773-W918 HydrophobicContact CD2-CG 3.41Å; L773-W918 VanDerWaalsContact CD2-CG 3.41Å; L773-W918 HydrophobicContact CG-CD2 4.15Å; L773-W918 HydrophobicContact CG-CG 3.99Å
774Y90.6Very high92.6Very high88 Ų8823.8 Ų23.835%0.34514%0.137SC..SBendtrans-118.8114.7-179.4-58.7-69.5000110.1L481 R772 S781 N791L481-Y774 HydrophobicContact CD2-CE1 3.96Å; R772-Y774 WeakPolarHBondContact CB-O 3.17Å; R772-Y774 PolarHBondContact O-N 2.81Å; Y774-S781 WeakPolarHBondContact CA-OG 3.4Å; Y774-N791 PolarHBondContact OH-O 3.45Å
775A90.1Very high92.4Very high9 Ų924 Ų247%0.07414%0.138CC..  trans-154.9149.1172.700000110.8P769 R772 C777 N778 S781P769-A775 VanDerWaalsContact O-CB 3.3Å; P769-A775 WeakPolarHBondContact O-CB 3.41Å; R772-A775 HydrophobicContact CB-CB 4.29Å; A775-C777 PolarHBondContact O-N 3.11Å; A775-N778 HydrophobicContact CB-CB 4.25Å; A775-N778 PolarHBondContact O-N 2.98Å; A775-S781 PolarHBondContact N-OG 2.7Å; A775-S781 VanDerWaalsContact N-OG 3.15Å; A775-S781 WeakPolarHBondContact O-CB 3.37Å; A775-S781 PolarHBondContact O-OG 3.19Å
776S86.7Confident92.3Very high39 Ų3922.3 Ų22.327%0.27312%0.124SC..THydrogen-bonded Turntrans-56.6-31.5173.2540000112.9H782S776-H782 PolarHBondContact O-NE2 3.19Å
777C88.2Confident92.2Very high10 Ų1018.7 Ų18.77%0.06811%0.109CC..THydrogen-bonded Turntrans-86.85.6178.359.20000115.4F495 A775 L923F495-C777 HydrophobicContact CD2-CB 4.34Å; F495-C777 HydrophobicContact CE2-CB 4.35Å; A775-C777 PolarHBondContact O-N 3.11Å; C777-L923 PolarHBondContact O-N 3.36Å
778N93.4Very high92Very high3 Ų322.8 Ų22.82%0.01613%0.13CC..BIsolated β-bridgetrans-107.8114.1176.2179.4-0.2000110.6R772 L773 A775 L780 S781 H782 G921R772-N778 PolarHBondContact O-ND2 3.42Å; L773-N778 PolarHBondContact O-ND2 3.47Å; A775-N778 HydrophobicContact CB-CB 4.25Å; A775-N778 PolarHBondContact O-N 2.98Å; N778-L780 PolarHBondContact O-N 3.14Å; N778-L780 WeakPolarHBondContact OD1-CB 3.22Å; N778-L780 PolarHBondContact OD1-N 3.22Å; N778-S781 WeakPolarHBondContact O-CB 3.47Å; N778-S781 PolarHBondContact O-N 2.96Å; N778-H782 PolarHBondContact O-CD2 2.92Å; N778-H782 VanDerWaalsContact O-CD2 3.27Å; N778-G921 CarbonylContact C-O 3.54Å; N778-G921 WeakPolarHBondContact CA-O 3.5Å; N778-G921 PolarHBondContact OD1-N 2.96Å
779L94.5Very high91.7Very high0 Ų022.7 Ų22.70%013%0.131CC..G310 helixtrans-46.6-43.4174.6-70.9166.3000112.4S781 H782 F813 G921 P922 L923 Q927 L952 L956L779-S781 PolarHBondContact O-N 3.46Å; L779-H782 PolarHBondContact O-N 3.11Å; L779-H782 VanDerWaalsContact O-N 3.12Å; L779-F813 HydrophobicContact CB-CE1 4.01Å; L779-F813 HydrophobicContact CD1-CE1 4.04Å; L779-G921 WeakPolarHBondContact CB-O 3.34Å; L779-G921 WeakPolarHBondContact CG-O 3.42Å; L779-G921 PolarHBondContact N-O 3.02Å; L779-P922 VanDerWaalsContact CD1-O 3.29Å; L779-P922 WeakPolarHBondContact CD1-O 2.8Å; L779-L923 HydrophobicContact CD2-CD2 3.59Å; L779-L923 HydrophobicContact CG-CD2 3.98Å; L779-Q927 HydrophobicContact CD1-CG 3.73Å; L779-L952 VanDerWaalsContact O-CD1 3.32Å; L779-L952 WeakPolarHBondContact O-CD1 3.43Å; L779-L956 HydrophobicContact CD2-CD1 3.5Å; L779-L956 HydrophobicContact CD2-CD2 3.91Å; L779-L956 HydrophobicContact CD2-CG 4.37Å
780L94.9Very high91.8Very high0 Ų021.2 Ų21.20%012%0.121CC..G310 helixtrans-70-19.8-175.3-62.4173.8000113.4N778 H782 L783 M790 N791 F813 N919 V947N778-L780 PolarHBondContact O-N 3.14Å; N778-L780 WeakPolarHBondContact OD1-CB 3.22Å; N778-L780 PolarHBondContact OD1-N 3.22Å; L780-H782 VanDerWaalsContact C-N 3.31Å; L780-L783 WeakPolarHBondContact O-CB 3.43Å; L780-M790 HydrophobicContact CD1-CB 4.35Å; L780-M790 HydrophobicContact CD1-CE 4.41Å; L780-N791 HydrophobicContact CB-CB 4.15Å; L780-N791 PolarHBondContact O-ND2 3.1Å; L780-N791 VanDerWaalsContact O-ND2 3.11Å; L780-F813 HydrophobicContact CD1-CD1 3.71Å; L780-F813 HydrophobicContact CD1-CE1 4.26Å; L780-F813 HydrophobicContact CD1-CG 4.24Å; L780-F813 HydrophobicContact CD2-CD1 3.68Å; L780-F813 HydrophobicContact CD2-CE1 3.44Å; L780-F813 VanDerWaalsContact CD2-CE1 3.44Å; L780-F813 HydrophobicContact CD2-CE2 4.31Å; L780-F813 HydrophobicContact CD2-CG 4.22Å; L780-F813 HydrophobicContact CD2-CZ 3.79Å; L780-F813 HydrophobicContact CG-CD1 3.59Å; L780-F813 HydrophobicContact CG-CE1 3.6Å; L780-F813 HydrophobicContact CG-CG 4.42Å; L780-F813 HydrophobicContact CG-CZ 4.45Å; L780-N919 HydrophobicContact CD1-CB 3.57Å; L780-V947 HydrophobicContact CD2-CG1 4.31Å; L780-V947 HydrophobicContact CD2-CG2 3.96Å
781S93.6Very high91.8Very high13 Ų1320.9 Ų20.99%0.09112%0.12CC..G310 helixtrans-73.3-23.9173.6-50.80000112.3L773 Y774 A775 N778 L779 L783L773-S781 PolarHBondContact O-OG 3.08Å; L773-S781 VanDerWaalsContact O-OG 3.11Å; Y774-S781 WeakPolarHBondContact CA-OG 3.4Å; A775-S781 PolarHBondContact N-OG 2.7Å; A775-S781 VanDerWaalsContact N-OG 3.15Å; A775-S781 WeakPolarHBondContact O-CB 3.37Å; A775-S781 PolarHBondContact O-OG 3.19Å; N778-S781 WeakPolarHBondContact O-CB 3.47Å; N778-S781 PolarHBondContact O-N 2.96Å; L779-S781 PolarHBondContact O-N 3.46Å; S781-L783 VanDerWaalsContact C-N 3.27Å; S781-L783 PolarHBondContact O-N 3.3Å
782H93.1Very high91.8Very high29 Ų2921.2 Ų21.213%0.13412%0.122CC..G310 helixtrans-830.6178.2-63.5-76.9000113.7S776 N778 L779 L780 G784 Q955 L956 V960S776-H782 PolarHBondContact O-NE2 3.19Å; N778-H782 PolarHBondContact O-CD2 2.92Å; N778-H782 VanDerWaalsContact O-CD2 3.27Å; L779-H782 PolarHBondContact O-N 3.11Å; L779-H782 VanDerWaalsContact O-N 3.12Å; L780-H782 VanDerWaalsContact C-N 3.31Å; H782-G784 VanDerWaalsContact C-N 3.33Å; H782-G784 PolarHBondContact O-N 3.28Å; H782-Q955 WeakPolarHBondContact O-CB 3.39Å; H782-L956 HydrophobicContact CB-CD2 3.8Å; H782-L956 HydrophobicContact CB-CG 4.5Å; H782-V960 WeakPolarHBondContact CE1-CG2 3.25Å
783L92.2Very high91.8Very high0 Ų018.7 Ų18.70%011%0.112CC..G310 helixtrans-71.3-25.5-172.8-165.870.3000114L780 S781 H785 I787 P948 H951 L952L780-L783 WeakPolarHBondContact O-CB 3.43Å; S781-L783 VanDerWaalsContact C-N 3.27Å; S781-L783 PolarHBondContact O-N 3.3Å; L783-H785 PolarHBondContact O-N 3.27Å; L783-H785 PolarHBondContact O-ND1 3Å; L783-H785 VanDerWaalsContact O-ND1 3.15Å; L783-I787 HydrophobicContact CD2-CD1 3.39Å; L783-I787 HydrophobicContact CD2-CG1 3.71Å; L783-P948 HydrophobicContact CD1-CG 3.87Å; L783-H951 PolarHBondContact O-NE2 3.11Å; L783-L952 HydrophobicContact CD1-CB 3.95Å; L783-L952 HydrophobicContact CD1-CD1 4.14Å; L783-L952 HydrophobicContact CD1-CG 4.49Å
784G87.5Confident92Very high39 Ų3921.2 Ų21.240%0.40212%0.121SC..SBendtrans72.54.4178.900000115.7H782 G1005H782-G784 VanDerWaalsContact C-N 3.33Å; H782-G784 PolarHBondContact O-N 3.28Å; G784-G1005 WeakPolarHBondContact O-CA 3.44Å
785H91.1Very high92.3Very high8 Ų817 Ų174%0.03711%0.105CC..SBendtrans-150161.9170.661-76.6000110.4L481 L783 N791 H951 G1005 L1007 S1008L481-H785 VanDerWaalsContact CD1-CA 3.45Å; L783-H785 PolarHBondContact O-N 3.27Å; L783-H785 PolarHBondContact O-ND1 3Å; L783-H785 VanDerWaalsContact O-ND1 3.15Å; H785-N791 PolarHBondContact O-ND2 3.15Å; H785-H951 AromaticContact CE1-CD2 3.85Å; H785-H951 AromaticContact CE1-NE2 3.81Å; H785-H951 AromaticContact ND1-NE2 3.81Å; H785-G1005 WeakPolarHBondContact CB-O 3.3Å; H785-L1007 HydrophobicContact CB-CD2 4.19Å; H785-S1008 PolarHBondContact CE1-OG 3Å; H785-S1008 VanDerWaalsContact CE1-OG 3.23Å; H785-S1008 PolarHBondContact NE2-N 3.32Å
786A91.1Very high92.6Very high20 Ų2017.9 Ų17.917%0.16511%0.107CC..  trans-82.3135.9-178.700000112L481 N791 T792L481-A786 HydrophobicContact CD1-CB 4.38Å; A786-N791 WeakPolarHBondContact CA-OD1 3.46Å; A786-T792 HydrophobicContact CB-CG2 4.13Å
787I93.2Very high93Very high18 Ų1816 Ų169%0.0929%0.094CC..  trans-113.4105.9158.8-59.2170.2000105.9L783 G789 M790 N791 L946 V947L783-I787 HydrophobicContact CD2-CD1 3.39Å; L783-I787 HydrophobicContact CD2-CG1 3.71Å; I787-G789 PolarHBondContact O-N 3.38Å; I787-M790 HydrophobicContact CB-CB 4.08Å; I787-M790 HydrophobicContact CB-CG 4.33Å; I787-M790 HydrophobicContact CD1-SD 4.36Å; I787-M790 HydrophobicContact CG2-CB 3.95Å; I787-M790 HydrophobicContact CG2-CG 3.65Å; I787-M790 HydrophobicContact CG2-SD 3.82Å; I787-M790 PolarHBondContact O-N 2.85Å; I787-N791 PolarHBondContact N-OD1 2.95Å; I787-N791 PolarHBondContact O-N 3.36Å; I787-N791 PolarHBondContact O-OD1 3.44Å; I787-L946 VanDerWaalsContact CD1-O 3.23Å; I787-L946 WeakPolarHBondContact CD1-O 3.27Å; I787-L946 HydrophobicContact CG2-CB 4.12Å; I787-L946 HydrophobicContact CG2-CD1 4.29Å; I787-V947 HydrophobicContact CD1-CB 4.48Å; I787-V947 HydrophobicContact CD1-CG2 4.04Å
788I90.3Very high93.4Very high87 Ų8715.7 Ų15.745%0.4469%0.092SC..THydrogen-bonded Turntrans-54.3124-175.8-64.5168.9000110.1D750 M790 T792 R794D750-I788 HydrophobicContact CB-CG2 4.35Å; D750-I788 WeakPolarHBondContact OD2-CG2 3.14Å; I788-M790 VanDerWaalsContact C-N 3.33Å; I788-T792 WeakPolarHBondContact CA-OG1 3.38Å; I788-R794 PolarHBondContact O-NH2 2.99Å
789G88.6Confident93.4Very high10 Ų1015.6 Ų15.610%0.1039%0.091CC..THydrogen-bonded Turntrans86.9-16.2-177.400000116.2I787 T792 R794I787-G789 PolarHBondContact O-N 3.38Å; G789-T792 CarbonylContact C-O 3.5Å; G789-T792 WeakPolarHBondContact CA-O 3.28Å; G789-T792 PolarHBondContact N-O 3.15Å; G789-T792 PolarHBondContact N-OG1 3.37Å; G789-R794 VanDerWaalsContact CA-NE 3.28Å
790M94.2Very high93.2Very high3 Ų316 Ų162%0.0159%0.094CC..THydrogen-bonded Turntrans-94.8-64.3173.8-59.8-162.37400111L780 I787 I788 H810 F813 N919 L946 V947L780-M790 HydrophobicContact CD1-CB 4.35Å; L780-M790 HydrophobicContact CD1-CE 4.41Å; I787-M790 HydrophobicContact CB-CB 4.08Å; I787-M790 HydrophobicContact CB-CG 4.33Å; I787-M790 HydrophobicContact CD1-SD 4.36Å; I787-M790 HydrophobicContact CG2-CB 3.95Å; I787-M790 HydrophobicContact CG2-CG 3.65Å; I787-M790 HydrophobicContact CG2-SD 3.82Å; I787-M790 PolarHBondContact O-N 2.85Å; I788-M790 VanDerWaalsContact C-N 3.33Å; M790-H810 HydrophobicContact CE-CB 3.81Å; M790-H810 WeakPolarHBondContact CE-O 3.39Å; M790-H810 HydrophobicContact SD-CB 3.71Å; M790-F813 HydrophobicContact CE-CB 4.01Å; M790-F813 HydrophobicContact CE-CD2 4.14Å; M790-F813 HydrophobicContact CE-CG 4.14Å; M790-N919 WeakPolarHBondContact CA-OD1 3.43Å; M790-N919 HydrophobicContact CB-CB 4.17Å; M790-N919 HydrophobicContact CE-CB 4.1Å; M790-N919 VanDerWaalsContact CG-OD1 3.3Å; M790-N919 WeakPolarHBondContact CG-OD1 3.46Å; M790-N919 WeakPolarHBondContact O-CA 3.43Å; M790-N919 PolarHBondContact O-N 2.72Å; M790-N919 VanDerWaalsContact O-O 3.06Å; M790-L946 HydrophobicContact SD-CB 4.15Å; M790-V947 HydrophobicContact CE-CG2 3.65Å; M790-V947 HydrophobicContact SD-CG2 3.66Å
791N94.3Very high92.9Very high3 Ų316 Ų162%0.0169%0.094CC..THydrogen-bonded Turntrans-101.610.4172.464.74.9000113.3Y774 L780 H785 A786 I787Y774-N791 PolarHBondContact OH-O 3.45Å; L780-N791 HydrophobicContact CB-CB 4.15Å; L780-N791 PolarHBondContact O-ND2 3.1Å; L780-N791 VanDerWaalsContact O-ND2 3.11Å; H785-N791 PolarHBondContact O-ND2 3.15Å; A786-N791 WeakPolarHBondContact CA-OD1 3.46Å; I787-N791 PolarHBondContact N-OD1 2.95Å; I787-N791 PolarHBondContact O-N 3.36Å; I787-N791 PolarHBondContact O-OD1 3.44Å
792T94.6Very high93Very high6 Ų615.4 Ų15.44%0.0379%0.09CC..SBendtrans-118149.6161.182.90000109D750 A786 I788 G789D750-T792 PolarHBondContact OD1-OG1 3.45Å; D750-T792 VanDerWaalsContact OD1-OG1 3.07Å; A786-T792 HydrophobicContact CB-CG2 4.13Å; I788-T792 WeakPolarHBondContact CA-OG1 3.38Å; G789-T792 CarbonylContact C-O 3.5Å; G789-T792 WeakPolarHBondContact CA-O 3.28Å; G789-T792 PolarHBondContact N-O 3.15Å; G789-T792 PolarHBondContact N-OG1 3.37Å
793A95.2Very high93.1Very high0 Ų014.1 Ų14.10%08%0.084CC..  trans-81.4146176.500000111.7L751 L764 L773 A917 W918L751-A793 HydrophobicContact CB-CB 4.27Å; L751-A793 WeakPolarHBondContact CB-O 3.27Å; L751-A793 HydrophobicContact CD1-CB 4.13Å; L751-A793 PolarHBondContact N-O 2.89Å; L764-A793 HydrophobicContact CD1-CB 3.88Å; L773-A793 HydrophobicContact CD1-CB 4.1Å; L773-A793 HydrophobicContact CD2-CB 4.25Å; A793-A917 WeakPolarHBondContact CA-O 3.35Å; A793-W918 HydrophobicContact CB-CE3 3.92Å
794R95.2Very high93.2Very high61 Ų6115.6 Ų15.623%0.239%0.092CC..EExtended strand (participates in β ladder)trans-118.9145.6170-74.3169.9178.3179.714.9111.4N748 F749 I788 G789 I916 A917N748-R794 WeakPolarHBondContact OD1-CD 3.33Å; N748-R794 PolarHBondContact OD1-NH1 3.23Å; F749-R794 CarbonylContact O-C 3.54Å; F749-R794 WeakPolarHBondContact O-CA 3.19Å; I788-R794 PolarHBondContact O-NH2 2.99Å; G789-R794 VanDerWaalsContact CA-NE 3.28Å; R794-I916 WeakPolarHBondContact O-CA 3.37Å; R794-A917 PolarHBondContact N-O 3.43Å; R794-A917 PolarHBondContact O-N 2.96Å
795V96.3Very high93.5Very high0 Ų015 Ų150%08%0.082CC..EExtended strand (participates in β ladder)trans-100.4140.2169.2-157.20000110.4L653 F749 L751 L797 N914 N915 I916L653-V795 HydrophobicContact CD1-CB 4.33Å; L653-V795 HydrophobicContact CD1-CG1 4.04Å; L653-V795 HydrophobicContact CD1-CG2 4.01Å; F749-V795 HydrophobicContact CB-CB 4.03Å; F749-V795 WeakPolarHBondContact CB-O 3.35Å; F749-V795 HydrophobicContact CD1-CB 4.2Å; F749-V795 HydrophobicContact CD1-CG2 3.82Å; F749-V795 HydrophobicContact CG-CB 4.42Å; F749-V795 PolarHBondContact N-O 2.98Å; F749-V795 VanDerWaalsContact N-O 3.12Å; F749-V795 PolarHBondContact O-N 3Å; L751-V795 HydrophobicContact CD1-CG2 3.66Å; L751-V795 HydrophobicContact CD2-CG2 3.96Å; L751-V795 HydrophobicContact CG-CG2 3.86Å; V795-L797 HydrophobicContact CB-CD2 4.47Å; V795-L797 HydrophobicContact CG1-CD2 3.78Å; V795-N914 HydrophobicContact CG1-CB 4.24Å; V795-N915 CarbonylContact C-O 3.59Å; V795-N915 WeakPolarHBondContact CA-O 3.43Å; V795-I916 HydrophobicContact CG1-CG2 4.14Å; V795-I916 HydrophobicContact CG2-CG2 4.13Å
796H96.6Very high93.8Very high27 Ų2714.7 Ų14.713%0.1258%0.081CC..EExtended strand (participates in β ladder)trans-117110.5174.4-63.890.5000108.1F745 G746 N914 N915F745-H796 HydrophobicContact CE2-CB 3.93Å; F745-H796 HydrophobicContact CZ-CB 4.09Å; F745-H796 AromaticContact CZ-CD2 3.74Å; G746-H796 CarbonylContact O-C 3.56Å; G746-H796 WeakPolarHBondContact O-CA 3.24Å; H796-N914 CarbonylContact O-C 3.59Å; H796-N914 VanDerWaalsContact O-CA 3.25Å; H796-N914 WeakPolarHBondContact O-CA 3.31Å; H796-N915 HydrophobicContact CB-CB 4.32Å; H796-N915 PolarHBondContact N-O 2.67Å; H796-N915 PolarHBondContact O-N 2.9Å
797L96Very high94Very high0 Ų016.1 Ų16.10%08%0.084CC..EExtended strand (participates in β ladder)trans-95.7105.3-175.6-50.5175.8000109.1T650 L653 I695 Y698 G746 V795 N914T650-L797 HydrophobicContact CG2-CD1 4.44Å; L653-L797 HydrophobicContact CD1-CD2 4.19Å; I695-L797 HydrophobicContact CD1-CD1 4.21Å; I695-L797 HydrophobicContact CG1-CD1 4.49Å; Y698-L797 HydrophobicContact CD1-CB 3.88Å; Y698-L797 HydrophobicContact CD1-CD1 3.73Å; Y698-L797 HydrophobicContact CD1-CG 4.47Å; Y698-L797 HydrophobicContact CE1-CB 3.4Å; Y698-L797 VanDerWaalsContact CE1-CB 3.4Å; Y698-L797 HydrophobicContact CE1-CD1 4.17Å; Y698-L797 HydrophobicContact CE1-CG 4.44Å; Y698-L797 WeakPolarHBondContact CE1-O 3.33Å; Y698-L797 PolarHBondContact OH-O 3.04Å; G746-L797 PolarHBondContact N-O 3.24Å; G746-L797 PolarHBondContact O-N 3.28Å; V795-L797 HydrophobicContact CB-CD2 4.47Å; V795-L797 HydrophobicContact CG1-CD2 3.78Å; L797-N914 HydrophobicContact CD2-CB 4.35Å; L797-N914 VanDerWaalsContact CD2-CG 3.49Å; L797-N914 VanDerWaalsContact CD2-ND2 3.34Å; L797-N914 WeakPolarHBondContact CD2-ND2 3.48Å
798K95.2Very high94.1Very high3 Ų316.1 Ų16.11%0.0138%0.084CC..EExtended strand (participates in β ladder)trans-108.4147.7-167.5-63.7168.6174.6-179.70113.9Q702 F745 C825 A891 C913 N915Q702-K798 PolarHBondContact NE2-O 3.11Å; F745-K798 HydrophobicContact CD2-CG 3.84Å; F745-K798 HydrophobicContact CE2-CD 4.35Å; F745-K798 HydrophobicContact CE2-CG 3.47Å; F745-K798 VanDerWaalsContact CE2-CG 3.47Å; F745-K798 HydrophobicContact CZ-CG 4.35Å; K798-C825 PolarHBondContact NZ-SG 3.03Å; K798-A891 HydrophobicContact CB-CB 4.06Å; K798-A891 HydrophobicContact CD-CB 4.2Å; K798-C913 WeakPolarHBondContact CA-O 3.49Å; K798-C913 VanDerWaalsContact CB-O 3.29Å; K798-C913 WeakPolarHBondContact CB-O 3.31Å; K798-C913 PolarHBondContact N-O 3.24Å; K798-C913 PolarHBondContact O-N 2.99Å; K798-N915 WeakPolarHBondContact CD-OD1 3.44Å; K798-N915 VanDerWaalsContact CE-OD1 3.28Å; K798-N915 WeakPolarHBondContact CE-OD1 3.41Å; K798-N915 PolarHBondContact NZ-OD1 3.22Å
799V93.2Very high94.3Very high1 Ų113 Ų131%0.0067%0.067CC..  trans-113161.8161.4-61.10000109Y701 Q702 I743 K744 G801 S802 A891Y701-V799 HydrophobicContact CE1-CG1 3.95Å; Y701-V799 HydrophobicContact CE1-CG2 4.49Å; Q702-V799 HydrophobicContact CB-CG1 4.47Å; Q702-V799 HydrophobicContact CG-CG1 3.97Å; I743-V799 HydrophobicContact CB-CG2 4.04Å; I743-V799 HydrophobicContact CG2-CG2 4.34Å; K744-V799 WeakPolarHBondContact O-CG2 3.37Å; V799-G801 PolarHBondContact O-N 3.37Å; V799-S802 WeakPolarHBondContact CG2-OG 3.49Å; V799-S802 PolarHBondContact N-OG 2.89Å; V799-S802 WeakPolarHBondContact O-CB 3.36Å; V799-S802 PolarHBondContact O-N 2.99Å; V799-S802 PolarHBondContact O-OG 2.82Å; V799-A891 VanDerWaalsContact O-CB 3.32Å; V799-A891 WeakPolarHBondContact O-CB 3.43Å
800P90.4Very high94.7Very high9 Ų916 Ų166%0.0588%0.079CC..THydrogen-bonded Turntrans-52.7138.2176.5-20.529000111.6I743 S802 V893 W912I743-P800 WeakPolarHBondContact CD1-O 3.18Å; P800-S802 VanDerWaalsContact C-N 3.32Å; P800-S802 PolarHBondContact O-N 3.07Å; P800-V893 HydrophobicContact CB-CG2 4.49Å; P800-W912 HydrophobicContact CG-CD2 3.64Å; P800-W912 HydrophobicContact CG-CE3 3.64Å; P800-W912 HydrophobicContact CG-CG 4.41Å; P800-W912 HydrophobicContact CG-CH2 3.53Å; P800-W912 HydrophobicContact CG-CZ2 3.55Å; P800-W912 HydrophobicContact CG-CZ3 3.59Å
801G89.9Confident94.8Very high0 Ų016 Ų160%08%0.078CC..THydrogen-bonded Turntrans86.3-12.4-174.800000115.4I743 V799 R803 A891I743-G801 WeakPolarHBondContact CD1-O 3.49Å; V799-G801 PolarHBondContact O-N 3.37Å; G801-R803 WeakPolarHBondContact O-CG 3.42Å; G801-R803 PolarHBondContact O-N 3.49Å; G801-A891 PolarHBondContact N-O 2.87Å
802S94.6Very high94.9Very high0 Ų015.8 Ų15.80%08%0.077CC..  trans-58.8129.7179-59.80000111.3V799 P800 A891V799-S802 WeakPolarHBondContact CG2-OG 3.49Å; V799-S802 PolarHBondContact N-OG 2.89Å; V799-S802 WeakPolarHBondContact O-CB 3.36Å; V799-S802 PolarHBondContact O-N 2.99Å; V799-S802 PolarHBondContact O-OG 2.82Å; P800-S802 VanDerWaalsContact C-N 3.32Å; P800-S802 PolarHBondContact O-N 3.07Å; S802-A891 PolarHBondContact O-N 3.18Å
803R94.6Very high95Very high2 Ų215.6 Ų15.61%0.0088%0.076CC..EExtended strand (participates in β ladder)trans-122.1138.2-175.1-73.6170.6-173.4-145.5-7.3113.1Q667 Q670 L671 K674 F686 F745 G801 W855 V889Q667-R803 PolarHBondContact NE2-O 3.39Å; Q670-R803 VanDerWaalsContact C-NH2 3.32Å; Q670-R803 PolarHBondContact O-NH2 3.26Å; L671-R803 VanDerWaalsContact C-NH2 3.34Å; L671-R803 PolarHBondContact O-NH2 2.89Å; K674-R803 PolarHBondContact O-NH1 3.06Å; K674-R803 PolarHBondContact O-NH2 2.9Å; F686-R803 HydrophobicContact CE1-CB 4.06Å; F686-R803 HydrophobicContact CE2-CB 4.24Å; F686-R803 HydrophobicContact CZ-CB 3.58Å; F686-R803 HydrophobicContact CZ-CG 4.39Å; F745-R803 WeakPolarHBondContact CD1-O 3.28Å; F745-R803 WeakPolarHBondContact CE1-O 3.34Å; G801-R803 WeakPolarHBondContact O-CG 3.42Å; G801-R803 PolarHBondContact O-N 3.49Å; R803-W855 HydrophobicContact CB-CE3 4.28Å; R803-W855 HydrophobicContact CB-CH2 4.34Å; R803-W855 HydrophobicContact CB-CZ3 3.72Å; R803-W855 HydrophobicContact CG-CE3 4.17Å; R803-W855 HydrophobicContact CG-CH2 3.75Å; R803-W855 HydrophobicContact CG-CZ2 4.47Å; R803-W855 HydrophobicContact CG-CZ3 3.57Å; R803-V889 WeakPolarHBondContact CA-O 3.44Å
804T94.8Very high95.2Very high30 Ų3015.6 Ų15.618%0.1848%0.076CC..EExtended strand (participates in β ladder)trans-99.8123.7157.6-55.40000107.4W855 V889T804-W855 WeakPolarHBondContact O-CZ3 3.25Å; T804-V889 PolarHBondContact N-O 3.41Å; T804-V889 PolarHBondContact O-N 3.44Å
805S94.5Very high95.3Very high27 Ų2712.7 Ų12.719%0.1897%0.065CC..EExtended strand (participates in β ladder)trans-59.9164.1-179.349.80000112.8H807 W854S805-H807 PolarHBondContact O-N 3.25Å; S805-H807 PolarHBondContact O-ND1 3.49Å; S805-W854 WeakPolarHBondContact CB-O 3.34Å
806A96.1Very high95.3Very high1 Ų112.8 Ų12.81%0.0087%0.066CC..EExtended strand (participates in β ladder)trans-66.6130.917100000110.8W854 P856 Y887 W888A806-W854 HydrophobicContact CB-CD2 3.9Å; A806-W854 HydrophobicContact CB-CE3 3.47Å; A806-W854 VanDerWaalsContact CB-CE3 3.47Å; A806-W854 HydrophobicContact CB-CH2 3.68Å; A806-W854 HydrophobicContact CB-CZ2 4.1Å; A806-W854 HydrophobicContact CB-CZ3 3.36Å; A806-W854 PolarHBondContact N-O 3.29Å; A806-P856 HydrophobicContact CB-CG 3.94Å; A806-Y887 WeakPolarHBondContact CA-O 3.49Å; A806-W888 HydrophobicContact CB-CB 4.03Å; A806-W888 HydrophobicContact CB-CD2 4.14Å; A806-W888 HydrophobicContact CB-CE3 3.79Å; A806-W888 HydrophobicContact CB-CG 4.3Å
807H95.5Very high95.4Very high50 Ų5012 Ų1223%0.2316%0.063CC..EExtended strand (participates in β ladder)trans-160.1169.6179.762.6-60.6000110.4S805 I886 Y887S805-H807 PolarHBondContact O-N 3.25Å; S805-H807 PolarHBondContact O-ND1 3.49Å; H807-I886 WeakPolarHBondContact O-CA 3.4Å; H807-I886 VanDerWaalsContact O-CG2 3.31Å; H807-I886 WeakPolarHBondContact O-CG2 3.48Å; H807-Y887 AromaticContact CE1-CE2 3.55Å; H807-Y887 AromaticContact CE1-CZ 3.48Å; H807-Y887 VanDerWaalsContact CE1-CZ 3.48Å; H807-Y887 PolarHBondContact N-O 2.81Å; H807-Y887 AromaticContact NE2-CZ 3.55Å; H807-Y887 PolarHBondContact NE2-OH 3.46Å; H807-Y887 PolarHBondContact O-N 3.12Å
808Q95.3Very high95.5Very high18 Ų1812 Ų128%0.0846%0.063CC..EExtended strand (participates in β ladder)trans-110.4152.7161-73.7170.5-59.200108.5G884 I886Q808-G884 PolarHBondContact NE2-O 2.94Å; Q808-I886 HydrophobicContact CG-CB 3.99Å; Q808-I886 HydrophobicContact CG-CG1 3.44Å; Q808-I886 VanDerWaalsContact CG-CG1 3.44Å; Q808-I886 HydrophobicContact CG-CG2 4.17Å
809E95.9Very high95.6Very high22 Ų2211.9 Ų11.910%0.1036%0.062CC..  trans-59149.8176.7-71.8-69.4-17500113N811 N812 F813 Y887 N919E809-N811 PolarHBondContact O-N 3.13Å; E809-N812 PolarHBondContact O-N 3.31Å; E809-F813 WeakPolarHBondContact CB-O 3.41Å; E809-F813 WeakPolarHBondContact CG-O 3.26Å; E809-Y887 HydrophobicContact CG-CE1 4.25Å; E809-Y887 PolarHBondContact OE1-OH 3.5Å; E809-Y887 VanDerWaalsContact OE1-OH 3.11Å; E809-N919 PolarHBondContact OE1-ND2 3.24Å; E809-N919 PolarHBondContact OE2-ND2 3.32Å
810H95.4Very high95.7Very high74 Ų7412.9 Ų12.934%0.3437%0.067SC..G310 helixtrans-58.8129179-71.4-64.7000110.3M790 N812 F813 L946M790-H810 HydrophobicContact CE-CB 3.81Å; M790-H810 WeakPolarHBondContact CE-O 3.39Å; M790-H810 HydrophobicContact SD-CB 3.71Å; H810-N812 PolarHBondContact O-N 2.92Å; H810-N812 VanDerWaalsContact O-N 3.15Å; H810-F813 WeakPolarHBondContact O-CD2 3.4Å; H810-F813 PolarHBondContact O-N 3Å; H810-L946 HydrophobicContact CB-CB 4.49Å; H810-L946 HydrophobicContact CB-CD1 4.32Å; H810-L946 HydrophobicContact CB-CG 4.46Å
811N96.6Very high95.6Very high1 Ų112.8 Ų12.81%0.0057%0.068CC..G310 helixtrans51.530.2-172.8-69.973.1000113.8E809 F813 A931 S945 L946 V947E809-N811 PolarHBondContact O-N 3.13Å; N811-F813 HydrophobicContact CB-CD2 3.7Å; N811-F813 HydrophobicContact CB-CE2 3.74Å; N811-F813 WeakPolarHBondContact O-CD2 3.39Å; N811-F813 PolarHBondContact O-N 2.89Å; N811-F813 VanDerWaalsContact O-N 3.12Å; N811-A931 WeakPolarHBondContact O-CA 3.33Å; N811-A931 VanDerWaalsContact O-CB 3.23Å; N811-A931 WeakPolarHBondContact O-CB 3.38Å; N811-S945 WeakPolarHBondContact ND2-CB 3.5Å; N811-S945 PolarHBondContact ND2-OG 3.24Å; N811-S945 WeakPolarHBondContact OD1-CA 3.39Å; N811-S945 WeakPolarHBondContact OD1-CB 3.42Å; N811-S945 PolarHBondContact OD1-OG 2.98Å; N811-L946 PolarHBondContact OD1-N 3.31Å; N811-V947 HydrophobicContact CB-CB 4.01Å; N811-V947 HydrophobicContact CB-CG2 4.01Å; N811-V947 PolarHBondContact ND2-O 3.5Å; N811-V947 PolarHBondContact OD1-N 3.02Å
812N96.8Very high95.5Very high0 Ų016.7 Ų16.70%09%0.093CC..G310 helixtrans55.425179.7-76.2-11.7000115E809 H810 E883 G884 Q927 L930 R934E809-N812 PolarHBondContact O-N 3.31Å; H810-N812 PolarHBondContact O-N 2.92Å; H810-N812 VanDerWaalsContact O-N 3.15Å; N812-E883 WeakPolarHBondContact O-CA 3.33Å; N812-G884 PolarHBondContact O-N 3.32Å; N812-G884 VanDerWaalsContact O-N 3.16Å; N812-G884 WeakPolarHBondContact OD1-CA 3.45Å; N812-Q927 PolarHBondContact O-NE2 3.41Å; N812-L930 HydrophobicContact CB-CB 4.15Å; N812-L930 PolarHBondContact ND2-O 3.09Å; N812-R934 HydrophobicContact CB-CB 4.29Å; N812-R934 PolarHBondContact OD1-NH1 2.67Å; N812-R934 PolarHBondContact OD1-NH2 2.91Å
813F97.8Very high95.1Very high1 Ų116.8 Ų16.80%0.0049%0.094CC..  trans-66.5149.2174.1-82.1-99.9000111.6L779 L780 M790 E809 H810 N811 N919 A931 V947 M949 L952L779-F813 HydrophobicContact CB-CE1 4.01Å; L779-F813 HydrophobicContact CD1-CE1 4.04Å; L780-F813 HydrophobicContact CD1-CD1 3.71Å; L780-F813 HydrophobicContact CD1-CE1 4.26Å; L780-F813 HydrophobicContact CD1-CG 4.24Å; L780-F813 HydrophobicContact CD2-CD1 3.68Å; L780-F813 HydrophobicContact CD2-CE1 3.44Å; L780-F813 VanDerWaalsContact CD2-CE1 3.44Å; L780-F813 HydrophobicContact CD2-CE2 4.31Å; L780-F813 HydrophobicContact CD2-CG 4.22Å; L780-F813 HydrophobicContact CD2-CZ 3.79Å; L780-F813 HydrophobicContact CG-CD1 3.59Å; L780-F813 HydrophobicContact CG-CE1 3.6Å; L780-F813 HydrophobicContact CG-CG 4.42Å; L780-F813 HydrophobicContact CG-CZ 4.45Å; M790-F813 HydrophobicContact CE-CB 4.01Å; M790-F813 HydrophobicContact CE-CD2 4.14Å; M790-F813 HydrophobicContact CE-CG 4.14Å; E809-F813 WeakPolarHBondContact CB-O 3.41Å; E809-F813 WeakPolarHBondContact CG-O 3.26Å; H810-F813 WeakPolarHBondContact O-CD2 3.4Å; H810-F813 PolarHBondContact O-N 3Å; N811-F813 HydrophobicContact CB-CD2 3.7Å; N811-F813 HydrophobicContact CB-CE2 3.74Å; N811-F813 WeakPolarHBondContact O-CD2 3.39Å; N811-F813 PolarHBondContact O-N 2.89Å; N811-F813 VanDerWaalsContact O-N 3.12Å; F813-N919 HydrophobicContact CB-CB 4.24Å; F813-A931 HydrophobicContact CD2-CB 4.35Å; F813-A931 HydrophobicContact CE2-CB 3.74Å; F813-A931 HydrophobicContact CZ-CB 4.21Å; F813-V947 HydrophobicContact CD2-CG2 3.97Å; F813-V947 HydrophobicContact CE2-CB 4Å; F813-V947 HydrophobicContact CE2-CG1 3.89Å; F813-V947 HydrophobicContact CE2-CG2 3.7Å; F813-V947 HydrophobicContact CZ-CG1 3.98Å; F813-V947 HydrophobicContact CZ-CG2 4.35Å; F813-M949 HydrophobicContact CE2-SD 4.3Å; F813-M949 HydrophobicContact CZ-SD 4.44Å; F813-L952 HydrophobicContact CZ-CD2 4.16Å
814A97.6Very high94.9Very high0 Ų019.3 Ų19.30%011%0.106CC..EExtended strand (participates in β ladder)trans-65.3158.8171.100000111.1W880 I881 N919 V920A814-W880 HydrophobicContact CB-CH2 3.59Å; A814-W880 HydrophobicContact CB-CZ2 3.67Å; A814-W880 HydrophobicContact CB-CZ3 4.35Å; A814-I881 CarbonylContact C-O 3.44Å; A814-I881 WeakPolarHBondContact CA-O 3.37Å; A814-I881 VanDerWaalsContact CB-O 3.26Å; A814-I881 WeakPolarHBondContact CB-O 3.42Å; A814-N919 CarbonylContact O-C 3.57Å; A814-N919 VanDerWaalsContact O-CA 3.24Å; A814-N919 WeakPolarHBondContact O-CA 3.36Å; A814-N919 WeakPolarHBondContact O-CB 3.17Å; A814-N919 PolarHBondContact O-ND2 2.98Å; A814-N919 VanDerWaalsContact O-ND2 3.16Å; A814-V920 CarbonylContact C-O 3.59Å; A814-V920 WeakPolarHBondContact CA-O 3.44Å; A814-V920 HydrophobicContact CB-CG2 4.07Å; A814-V920 WeakPolarHBondContact CB-O 3.38Å; A814-V920 PolarHBondContact N-O 2.97Å; A814-V920 VanDerWaalsContact N-O 3.09Å; A814-V920 PolarHBondContact O-N 3.16Å; A814-V920 VanDerWaalsContact O-O 3.07Å
815G97.3Very high94.8Very high1 Ų117.9 Ų17.91%0.0110%0.097CC..EExtended strand (participates in β ladder)trans-129.7143.6-17500000112.4I881G815-I881 PolarHBondContact N-O 3.32Å; G815-I881 WeakPolarHBondContact O-CD1 3.05Å; G815-I881 PolarHBondContact O-N 3.27Å
816I97.8Very high94.8Very high2 Ų218 Ų181%0.0110%0.095CC..EExtended strand (participates in β ladder)trans-113.2133.2170-57-62.6000108.2C771 V818 V878 W880 A917 W918 V920C771-I816 HydrophobicContact CB-CD1 4.06Å; C771-I816 HydrophobicContact CB-CG1 4.37Å; I816-V818 HydrophobicContact CG2-CG2 4.49Å; I816-V878 HydrophobicContact CG2-CG1 4.06Å; I816-W880 HydrophobicContact CD1-CE3 3.53Å; I816-W880 HydrophobicContact CD1-CZ3 3.87Å; I816-A917 VanDerWaalsContact O-CA 3.22Å; I816-A917 WeakPolarHBondContact O-CA 3.22Å; I816-W918 HydrophobicContact CB-CD2 4.32Å; I816-W918 HydrophobicContact CB-CZ2 3.99Å; I816-W918 HydrophobicContact CG1-CZ2 4.5Å; I816-W918 HydrophobicContact CG2-CH2 3.92Å; I816-W918 HydrophobicContact CG2-CZ2 3.52Å; I816-W918 PolarHBondContact N-O 2.85Å; I816-W918 PolarHBondContact O-N 3.32Å; I816-V920 HydrophobicContact CD1-CG2 4.23Å; I816-V920 HydrophobicContact CG1-CG1 4Å; I816-V920 HydrophobicContact CG1-CG2 4.06Å
817N98.3Very high94.8Very high11 Ų1118 Ų186%0.05910%0.095CC..EExtended strand (participates in β ladder)trans-134.1129.7170.6-172.2-66.5000111.4W827 Q873 V878 V879 I881 N915 I916 A917N817-W827 HydrophobicContact CB-CH2 3.73Å; N817-W827 HydrophobicContact CB-CZ2 3.8Å; N817-W827 VanDerWaalsContact CG-CZ2 3.49Å; N817-Q873 PolarHBondContact O-NE2 3.2Å; N817-Q873 PolarHBondContact OD1-NE2 3.04Å; N817-V878 CarbonylContact O-C 3.52Å; N817-V878 WeakPolarHBondContact O-CA 3.08Å; N817-V879 HydrophobicContact CB-CB 4.39Å; N817-V879 PolarHBondContact N-O 3.32Å; N817-V879 PolarHBondContact O-N 3.1Å; N817-I881 HydrophobicContact CB-CD1 4.34Å; N817-N915 PolarHBondContact OD1-ND2 3.46Å; N817-I916 CarbonylContact C-O 3.58Å; N817-I916 WeakPolarHBondContact CA-O 3.36Å; N817-A917 HydrophobicContact CB-CB 4.49Å
818V97.8Very high94.8Very high0 Ų015.7 Ų15.70%08%0.084CC..EExtended strand (participates in β ladder)trans-116.3126.7173.3-167.60000109.4T638 L645 I816 V878 N915 I916 W918T638-V818 HydrophobicContact CG2-CG1 3.66Å; L645-V818 HydrophobicContact CD2-CG1 4.49Å; I816-V818 HydrophobicContact CG2-CG2 4.49Å; V818-V878 HydrophobicContact CG1-CG2 4.13Å; V818-V878 HydrophobicContact CG2-CG1 4.21Å; V818-V878 HydrophobicContact CG2-CG2 3.95Å; V818-N915 CarbonylContact O-C 3.52Å; V818-N915 VanDerWaalsContact O-CA 3.29Å; V818-N915 WeakPolarHBondContact O-CA 3.47Å; V818-I916 HydrophobicContact CB-CD1 4.02Å; V818-I916 HydrophobicContact CB-CG1 3.64Å; V818-I916 HydrophobicContact CG2-CD1 4.16Å; V818-I916 HydrophobicContact CG2-CG1 4.06Å; V818-I916 PolarHBondContact N-O 3.41Å; V818-I916 PolarHBondContact O-N 3.05Å; V818-W918 HydrophobicContact CG2-CH2 4.27Å
819N96.7Very high94.9Very high0 Ų014.9 Ų14.90%08%0.08CC..EExtended strand (participates in β ladder)trans-81.8118.6170.2-178.53.7000109.2G821 G823 Q873 K874 G876 D877 N914 N915N819-G821 VanDerWaalsContact C-N 3.3Å; N819-G821 WeakPolarHBondContact OD1-CA 3.46Å; N819-G821 PolarHBondContact OD1-N 3.42Å; N819-G823 PolarHBondContact ND2-O 2.99Å; N819-Q873 HydrophobicContact CB-CG 3.81Å; N819-Q873 VanDerWaalsContact N-NE2 3.19Å; N819-Q873 PolarHBondContact ND2-O 3.05Å; N819-K874 WeakPolarHBondContact CB-O 3.3Å; N819-K874 PolarHBondContact ND2-O 2.88Å; N819-G876 PolarHBondContact O-N 2.97Å; N819-D877 PolarHBondContact N-O 3.43Å; N819-N914 PolarHBondContact OD1-O 3.13Å; N819-N915 WeakPolarHBondContact CA-ND2 3.48Å
820I95.8Very high94.8Very high21 Ų2113.8 Ų13.811%0.1088%0.075CC..EExtended strand (participates in β ladder)trans-73.3-26.7176.1-55.6-55.1000111L645 F648 N914 I916L645-I820 HydrophobicContact CB-CD1 4.2Å; L645-I820 HydrophobicContact CB-CG2 4.24Å; L645-I820 HydrophobicContact CD2-CD1 4.11Å; L645-I820 WeakPolarHBondContact O-CG2 3.38Å; F648-I820 HydrophobicContact CB-CD1 3.65Å; F648-I820 HydrophobicContact CB-CG1 3.8Å; F648-I820 HydrophobicContact CB-CG2 4.32Å; F648-I820 HydrophobicContact CD2-CD1 4.05Å; F648-I820 HydrophobicContact CG-CD1 4.01Å; I820-N914 HydrophobicContact CB-CB 4.01Å; I820-N914 VanDerWaalsContact CB-O 3.27Å; I820-N914 WeakPolarHBondContact CB-O 3.5Å; I820-N914 HydrophobicContact CG1-CB 4.12Å; I820-N914 WeakPolarHBondContact CG1-O 3.38Å; I820-N914 HydrophobicContact CG2-CB 4.48Å; I820-N914 PolarHBondContact N-O 3.21Å; I820-I916 HydrophobicContact CD1-CD1 3.97Å; I820-I916 HydrophobicContact CD1-CG1 3.96Å; I820-I916 HydrophobicContact CD1-CG2 4.19Å; I820-I916 HydrophobicContact CG1-CG2 4.32Å
821G89.3Confident94.7Very high7 Ų710.8 Ų10.87%0.0726%0.062CC..EExtended strand (participates in β ladder)trans83.3-168.2-172.900000113.2N819 C913 N914N819-G821 VanDerWaalsContact C-N 3.3Å; N819-G821 WeakPolarHBondContact OD1-CA 3.46Å; N819-G821 PolarHBondContact OD1-N 3.42Å; G821-C913 VanDerWaalsContact O-CA 3.3Å; G821-C913 WeakPolarHBondContact O-CA 3.3Å; G821-N914 PolarHBondContact O-N 3.39Å
822P87.1Confident94.6Very high82 Ų8211.8 Ų11.853%0.5327%0.068SC..EExtended strand (participates in β ladder)cis-72.8-26.32.129-35.7000114.5L909 W912P822-L909 HydrophobicContact CB-CB 4.29Å; P822-L909 HydrophobicContact CB-CD1 3.8Å; P822-L909 HydrophobicContact CG-CB 4.43Å; P822-L909 HydrophobicContact CG-CD1 4.24Å; P822-W912 VanDerWaalsContact CD-O 3.31Å; P822-W912 WeakPolarHBondContact CD-O 3.39Å
823G85.9Confident94.3Very high2 Ų216.4 Ų16.42%0.0219%0.089CC..SBendtrans-77.6174.2-175.700000115.7N819 L909 W912N819-G823 PolarHBondContact ND2-O 2.99Å; G823-L909 WeakPolarHBondContact CA-O 3.15Å; G823-W912 WeakPolarHBondContact CA-O 3.26Å; G823-W912 PolarHBondContact N-O 2.91Å
824E90.4Very high94Very high56 Ų5617.8 Ų17.826%0.26210%0.095SC..  trans-100.8149.5-179.5-54.5-167.9179.700111.9S872 K874 T892E824-S872 PolarHBondContact OE2-OG 3.04Å; E824-K874 HydrophobicContact CG-CG 4.33Å; E824-K874 IonicContact OE1-NZ 2.72Å; E824-K874 PolarHBondContact OE1-NZ 3.32Å; E824-K874 IonicContact OE2-NZ 3.87Å; E824-K874 PolarHBondContact OE2-NZ 3.35Å; E824-T892 PolarHBondContact O-N 3.46Å; E824-T892 PolarHBondContact O-OG1 3.37Å
825C92.9Very high93.7Very high0 Ų018.3 Ų18.30%010%0.097CC..EExtended strand (participates in β ladder)trans-111.4133.7166.9-80.90000110K798 S872 Q873 V889 H890 N915K798-C825 PolarHBondContact NZ-SG 3.03Å; C825-S872 WeakPolarHBondContact O-CA 3.49Å; C825-Q873 PolarHBondContact N-O 2.87Å; C825-Q873 VanDerWaalsContact N-O 3.15Å; C825-Q873 PolarHBondContact O-N 3.18Å; C825-V889 HydrophobicContact CB-CG1 4.02Å; C825-H890 CarbonylContact C-O 3.53Å; C825-H890 WeakPolarHBondContact CA-O 3.45Å; C825-N915 PolarHBondContact SG-OD1 3.36Å
826E93.7Very high93.4Very high30 Ų3022.2 Ų22.214%0.1411%0.114CC..EExtended strand (participates in β ladder)trans-89.2134.4166.8-173.6163.6-12400110.6P672 F828 R870 F871 V889 H890P672-E826 VanDerWaalsContact CG-OE2 3.26Å; P672-E826 WeakPolarHBondContact CG-OE2 3.17Å; E826-F828 HydrophobicContact CB-CE2 4.49Å; E826-F828 HydrophobicContact CG-CD2 4.48Å; E826-F828 HydrophobicContact CG-CE2 3.75Å; E826-F828 HydrophobicContact CG-CZ 4Å; E826-F828 WeakPolarHBondContact OE2-CZ 3.21Å; E826-R870 VanDerWaalsContact CD-NE 3.32Å; E826-R870 HydrophobicContact CG-CG 4.48Å; E826-R870 IonicContact OE1-CZ 3.64Å; E826-R870 VanDerWaalsContact OE1-CZ 3.27Å; E826-R870 IonicContact OE1-NE 3.35Å; E826-R870 PolarHBondContact OE1-NE 3.1Å; E826-R870 IonicContact OE1-NH2 3.79Å; E826-R870 PolarHBondContact OE1-NH2 3.34Å; E826-R870 IonicContact OE2-CZ 3.75Å; E826-R870 IonicContact OE2-NE 3.85Å; E826-R870 IonicContact OE2-NH2 2.79Å; E826-R870 PolarHBondContact OE2-NH2 2.92Å; E826-F871 WeakPolarHBondContact CA-O 3.33Å; E826-V889 WeakPolarHBondContact O-CA 3.43Å; E826-H890 PolarHBondContact N-O 3.25Å; E826-H890 PolarHBondContact O-N 2.91Å
827W96.3Very high93.1Very high1 Ų123.9 Ų23.90%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-117.1141-178-7573.5000110.7I631 N817 R870 F871 V879 I881 Y887 V889I631-W827 HydrophobicContact CD1-CE3 4.17Å; N817-W827 HydrophobicContact CB-CH2 3.73Å; N817-W827 HydrophobicContact CB-CZ2 3.8Å; N817-W827 VanDerWaalsContact CG-CZ2 3.49Å; W827-R870 WeakPolarHBondContact O-CA 3.38Å; W827-F871 HydrophobicContact CB-CD1 4.04Å; W827-F871 HydrophobicContact CB-CD2 4.09Å; W827-F871 HydrophobicContact CB-CE1 3.61Å; W827-F871 HydrophobicContact CB-CE2 3.63Å; W827-F871 HydrophobicContact CB-CG 4.29Å; W827-F871 HydrophobicContact CB-CZ 3.4Å; W827-F871 AromaticContact CD1-CE2 3.98Å; W827-F871 HydrophobicContact CD2-CE2 4.47Å; W827-F871 HydrophobicContact CD2-CZ 4.24Å; W827-F871 HydrophobicContact CG-CD2 4.49Å; W827-F871 HydrophobicContact CG-CE1 4.45Å; W827-F871 AromaticContact CG-CE2 3.76Å; W827-F871 HydrophobicContact CG-CE2 3.76Å; W827-F871 AromaticContact CG-CZ 3.76Å; W827-F871 HydrophobicContact CG-CZ 3.76Å; W827-F871 PolarHBondContact N-O 3.1Å; W827-F871 PolarHBondContact O-N 2.99Å; W827-F871 VanDerWaalsContact O-N 3.08Å; W827-V879 HydrophobicContact CD2-CG1 4.4Å; W827-V879 HydrophobicContact CD2-CG2 4.37Å; W827-V879 HydrophobicContact CE3-CG1 4.15Å; W827-V879 HydrophobicContact CH2-CB 4.46Å; W827-V879 HydrophobicContact CH2-CG1 4.27Å; W827-V879 HydrophobicContact CZ2-CB 4.34Å; W827-V879 HydrophobicContact CZ2-CG2 4.29Å; W827-V879 HydrophobicContact CZ3-CG1 4.07Å; W827-I881 HydrophobicContact CH2-CD1 4.06Å; W827-I881 HydrophobicContact CZ3-CD1 4.01Å; W827-I881 HydrophobicContact CZ3-CG1 4.02Å; W827-Y887 AromaticContact CE3-CD2 3.88Å; W827-Y887 HydrophobicContact CE3-CD2 3.88Å; W827-Y887 HydrophobicContact CE3-CE2 4.37Å; W827-Y887 HydrophobicContact CE3-CG 4.49Å; W827-Y887 HydrophobicContact CH2-CD2 4.4Å; W827-Y887 HydrophobicContact CH2-CE2 4.08Å; W827-Y887 AromaticContact CZ3-CD2 3.45Å; W827-Y887 HydrophobicContact CZ3-CD2 3.45Å; W827-Y887 VanDerWaalsContact CZ3-CD2 3.45Å; W827-Y887 AromaticContact CZ3-CE2 3.54Å; W827-Y887 HydrophobicContact CZ3-CE2 3.54Å; W827-Y887 HydrophobicContact CZ3-CG 4.15Å; W827-V889 HydrophobicContact CD2-CG1 4.13Å; W827-V889 HydrophobicContact CD2-CG2 3.72Å; W827-V889 HydrophobicContact CE3-CG2 3.6Å; W827-V889 HydrophobicContact CG-CG1 4.29Å; W827-V889 HydrophobicContact CG-CG2 4.45Å; W827-V889 HydrophobicContact CH2-CG2 3.85Å; W827-V889 HydrophobicContact CZ2-CG1 4.24Å; W827-V889 HydrophobicContact CZ2-CG2 3.96Å; W827-V889 HydrophobicContact CZ3-CG2 3.67Å
828F96.1Very high92.8Very high1 Ų123.4 Ų23.40%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-126.3134.1172.2-59.7-97.7000108.4P672 E826 L858 Y869 R870 Y887 W888P672-F828 HydrophobicContact CB-CE2 3.91Å; P672-F828 HydrophobicContact CB-CZ 3.9Å; E826-F828 HydrophobicContact CB-CE2 4.49Å; E826-F828 HydrophobicContact CG-CD2 4.48Å; E826-F828 HydrophobicContact CG-CE2 3.75Å; E826-F828 HydrophobicContact CG-CZ 4Å; E826-F828 WeakPolarHBondContact OE2-CZ 3.21Å; F828-L858 HydrophobicContact CD1-CD2 4.09Å; F828-L858 HydrophobicContact CE1-CD1 4.11Å; F828-L858 HydrophobicContact CE1-CD2 4.24Å; F828-Y869 VanDerWaalsContact CA-O 3.31Å; F828-Y869 WeakPolarHBondContact CA-O 3.43Å; F828-R870 HydrophobicContact CD1-CB 4.35Å; F828-R870 HydrophobicContact CD1-CG 4.02Å; F828-R870 HydrophobicContact CE1-CB 4.44Å; F828-R870 HydrophobicContact CE1-CG 3.69Å; F828-R870 HydrophobicContact CZ-CG 4.21Å; F828-Y887 CarbonylContact O-C 3.56Å; F828-Y887 WeakPolarHBondContact O-CA 3.43Å; F828-Y887 VanDerWaalsContact O-CB 3.3Å; F828-Y887 WeakPolarHBondContact O-CB 3.45Å; F828-W888 HydrophobicContact CB-CD2 3.64Å; F828-W888 HydrophobicContact CB-CE3 4.32Å; F828-W888 HydrophobicContact CB-CG 3.92Å; F828-W888 HydrophobicContact CB-CH2 4.3Å; F828-W888 HydrophobicContact CB-CZ2 3.65Å; F828-W888 HydrophobicContact CD1-CZ2 4.46Å; F828-W888 AromaticContact CD2-CD1 3.69Å; F828-W888 HydrophobicContact CD2-CG 4.5Å; F828-W888 AromaticContact CD2-NE1 3.66Å; F828-W888 AromaticContact CG-CD1 3.86Å; F828-W888 HydrophobicContact CG-CD2 4.5Å; F828-W888 AromaticContact CG-CE2 3.82Å; F828-W888 HydrophobicContact CG-CZ2 4.27Å; F828-W888 AromaticContact CG-NE1 3.4Å; F828-W888 PolarHBondContact N-O 3.36Å; F828-W888 PolarHBondContact O-N 2.87Å
829A96.9Very high92.5Very high0 Ų024.3 Ų24.30%013%0.125CC..EExtended strand (participates in β ladder)trans-146.4151.2178.400000113.4I631 I868 Y869 T885 I886I631-A829 HydrophobicContact CB-CB 4.32Å; I631-A829 HydrophobicContact CD1-CB 3.53Å; I631-A829 HydrophobicContact CG2-CB 4.1Å; A829-I868 CarbonylContact O-C 3.6Å; A829-I868 WeakPolarHBondContact O-CA 3.36Å; A829-Y869 HydrophobicContact CB-CD2 4.38Å; A829-Y869 PolarHBondContact N-O 2.89Å; A829-Y869 PolarHBondContact O-N 2.87Å; A829-T885 HydrophobicContact CB-CG2 4.07Å; A829-I886 CarbonylContact C-O 3.29Å; A829-I886 VanDerWaalsContact CA-O 3.25Å; A829-I886 WeakPolarHBondContact CA-O 3.15Å
830V95Very high92.3Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-129.3134.3-178.7173.50000108.5Y834 I866 I868 T885 I886 W888V830-Y834 HydrophobicContact CG1-CD2 4.4Å; V830-Y834 HydrophobicContact CG1-CG 4.28Å; V830-I866 HydrophobicContact CB-CG2 4.38Å; V830-I866 HydrophobicContact CG1-CG2 3.47Å; V830-I866 VanDerWaalsContact CG1-CG2 3.47Å; V830-I866 HydrophobicContact CG2-CG2 3.92Å; V830-I868 HydrophobicContact CG2-CG1 4.35Å; V830-T885 WeakPolarHBondContact O-CG2 3.48Å; V830-I886 HydrophobicContact CB-CB 4.41Å; V830-I886 HydrophobicContact CB-CD1 4.04Å; V830-I886 HydrophobicContact CG1-CD1 3.85Å; V830-I886 PolarHBondContact N-O 2.85Å; V830-I886 PolarHBondContact O-N 3.09Å; V830-W888 HydrophobicContact CG2-CH2 3.81Å; V830-W888 HydrophobicContact CG2-CZ3 3.89Å
831P93.6Very high92.2Very high11 Ų1126 Ų267%0.07114%0.141CC..  trans-58.9150.6177.8-24.134.2000113.8M604 P630 E833 Y834 Y869 I886M604-P831 HydrophobicContact CE-CG 3.61Å; P630-P831 HydrophobicContact CG-CG 4.42Å; P831-E833 WeakPolarHBondContact CB-OE2 3.32Å; P831-E833 PolarHBondContact O-N 3.31Å; P831-E833 VanDerWaalsContact O-N 3.13Å; P831-Y834 HydrophobicContact CB-CD2 4.1Å; P831-Y834 HydrophobicContact CB-CE2 4.34Å; P831-Y834 HydrophobicContact CG-CD2 4.37Å; P831-Y834 HydrophobicContact CG-CE2 4.38Å; P831-Y834 PolarHBondContact O-N 3.15Å; P831-Y834 VanDerWaalsContact O-N 3.17Å; P831-Y869 HydrophobicContact CG-CE2 4.14Å; P831-I886 WeakPolarHBondContact O-CD1 3.16Å
832V92.8Very high92.4Very high21 Ų2125.7 Ų25.713%0.12714%0.138CC..G310 helixtrans-54.7-34.2-174.762.70000113.2Y834 W835 G884 L930V832-Y834 PolarHBondContact O-N 3.19Å; V832-Y834 VanDerWaalsContact O-N 3.11Å; V832-W835 WeakPolarHBondContact O-CB 3.28Å; V832-W835 PolarHBondContact O-N 3.32Å; V832-W835 VanDerWaalsContact O-N 3.08Å; V832-G884 WeakPolarHBondContact CB-O 3.46Å; V832-G884 WeakPolarHBondContact CG2-O 3.41Å; V832-L930 HydrophobicContact CG2-CD2 4.12Å
833E90.4Very high92.7Very high97 Ų9725.5 Ų25.545%0.45313%0.133SC..G310 helixtrans-60.8-25-176.8-55.886.2165.900113.1P591 L593 P831P591-E833 WeakPolarHBondContact CG-O 3.41Å; L593-E833 WeakPolarHBondContact CD2-O 3.31Å; P831-E833 WeakPolarHBondContact CB-OE2 3.32Å; P831-E833 PolarHBondContact O-N 3.31Å; P831-E833 VanDerWaalsContact O-N 3.13Å
834Y91.5Very high93.1Very high30 Ų3033.8 Ų33.812%0.11816%0.163CC..G310 helixtrans-88.5-0.7-178.7-62.5-93.1000113.4L593 V830 P831 V832 F836 T837 L838 I866 P867L593-Y834 HydrophobicContact CD2-CD1 3.91Å; L593-Y834 HydrophobicContact CD2-CE1 4.01Å; L593-Y834 HydrophobicContact CD2-CG 4.33Å; V830-Y834 HydrophobicContact CG1-CD2 4.4Å; V830-Y834 HydrophobicContact CG1-CG 4.28Å; P831-Y834 HydrophobicContact CB-CD2 4.1Å; P831-Y834 HydrophobicContact CB-CE2 4.34Å; P831-Y834 HydrophobicContact CG-CD2 4.37Å; P831-Y834 HydrophobicContact CG-CE2 4.38Å; P831-Y834 PolarHBondContact O-N 3.15Å; P831-Y834 VanDerWaalsContact O-N 3.17Å; V832-Y834 PolarHBondContact O-N 3.19Å; V832-Y834 VanDerWaalsContact O-N 3.11Å; Y834-F836 VanDerWaalsContact C-N 3.26Å; Y834-F836 PolarHBondContact O-N 3.25Å; Y834-F836 VanDerWaalsContact O-N 3.15Å; Y834-T837 PolarHBondContact O-N 3.15Å; Y834-L838 PolarHBondContact O-N 2.66Å; Y834-I866 HydrophobicContact CD1-CB 4.46Å; Y834-I866 HydrophobicContact CD1-CG1 4.16Å; Y834-I866 HydrophobicContact CD1-CG2 4.37Å; Y834-I866 HydrophobicContact CG-CG2 4.33Å; Y834-P867 HydrophobicContact CD2-CG 4.23Å; Y834-P867 VanDerWaalsContact CE1-CD 3.41Å; Y834-P867 HydrophobicContact CE1-CG 4.24Å; Y834-P867 HydrophobicContact CE2-CG 3.59Å
835W92.2Very high93.2Very high12 Ų1233.6 Ų33.65%0.04516%0.164CC..Hα-helixtrans-54-40.2-173.383.8-99.8000113.1V832 L838 K839 F849 F850 I886 I937V832-W835 WeakPolarHBondContact O-CB 3.28Å; V832-W835 PolarHBondContact O-N 3.32Å; V832-W835 VanDerWaalsContact O-N 3.08Å; W835-L838 PolarHBondContact O-N 3.01Å; W835-K839 HydrophobicContact CE3-CB 4.5Å; W835-K839 HydrophobicContact CZ3-CD 4.31Å; W835-K839 WeakPolarHBondContact O-CB 3.5Å; W835-K839 PolarHBondContact O-N 3.26Å; W835-F849 HydrophobicContact CB-CZ 4.45Å; W835-F849 HydrophobicContact CE3-CE1 4.15Å; W835-F849 HydrophobicContact CE3-CZ 4.34Å; W835-F850 HydrophobicContact CZ3-CZ 4.15Å; W835-I886 HydrophobicContact CB-CD1 4.07Å; W835-I886 HydrophobicContact CB-CG1 4.37Å; W835-I937 HydrophobicContact CH2-CD1 3.95Å; W835-I937 HydrophobicContact CH2-CG2 4.26Å; W835-I937 HydrophobicContact CZ2-CD1 3.59Å
836F90.9Very high93.2Very high83 Ų8340.7 Ų40.736%0.36420%0.202SC..Hα-helixtrans-72.1-33.7-178.8-169.5-98000113P590 P591 Y834 K839 A840P590-F836 HydrophobicContact CB-CB 4.06Å; P590-F836 HydrophobicContact CB-CD1 3.48Å; P590-F836 VanDerWaalsContact CB-CD1 3.48Å; P590-F836 HydrophobicContact CB-CD2 3.75Å; P590-F836 HydrophobicContact CB-CE1 3.75Å; P590-F836 HydrophobicContact CB-CE2 3.99Å; P590-F836 HydrophobicContact CB-CG 3.48Å; P590-F836 VanDerWaalsContact CB-CG 3.48Å; P590-F836 HydrophobicContact CB-CZ 3.99Å; P590-F836 HydrophobicContact CG-CD1 4.23Å; P590-F836 HydrophobicContact CG-CE1 4.04Å; P590-F836 HydrophobicContact CG-CZ 4.23Å; P591-F836 HydrophobicContact CG-CB 4.49Å; Y834-F836 VanDerWaalsContact C-N 3.26Å; Y834-F836 PolarHBondContact O-N 3.25Å; Y834-F836 VanDerWaalsContact O-N 3.15Å; F836-K839 PolarHBondContact O-N 3.02Å; F836-A840 PolarHBondContact O-N 2.85Å
837T90.5Very high93.1Very high37 Ų3739.5 Ų39.523%0.22720%0.197CC..Hα-helixtrans-69.5-40.6173.9-51.30000110.4L593 Y834 A840 L841 I866L593-T837 WeakPolarHBondContact CD1-OG1 3.39Å; Y834-T837 PolarHBondContact O-N 3.15Å; T837-A840 WeakPolarHBondContact O-CB 3.25Å; T837-A840 PolarHBondContact O-N 3.06Å; T837-L841 PolarHBondContact O-N 3.44Å; T837-I866 HydrophobicContact CG2-CD1 3.99Å; T837-I866 HydrophobicContact CG2-CG1 4.27Å
838L92.4Very high92.9Very high0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-66.4-38.4176.5-168.954.5000111.5W684 Y834 W835 A840 L841 C842 F849 W854 L861 I866 I886W684-L838 HydrophobicContact CH2-CD1 3.88Å; W684-L838 HydrophobicContact CZ3-CD1 3.89Å; Y834-L838 PolarHBondContact O-N 2.66Å; W835-L838 PolarHBondContact O-N 3.01Å; L838-A840 PolarHBondContact O-N 3.12Å; L838-L841 HydrophobicContact CD1-CD1 4.43Å; L838-L841 WeakPolarHBondContact O-CB 3.36Å; L838-L841 PolarHBondContact O-N 3.43Å; L838-C842 PolarHBondContact O-N 2.89Å; L838-C842 PolarHBondContact O-SG 3.48Å; L838-C842 VanDerWaalsContact O-SG 3.39Å; L838-F849 HydrophobicContact CB-CE2 4.28Å; L838-F849 HydrophobicContact CD2-CE2 4.48Å; L838-F849 HydrophobicContact CG-CE2 4.2Å; L838-W854 HydrophobicContact CD1-CZ3 4.02Å; L838-W854 HydrophobicContact CD2-CH2 3.78Å; L838-W854 HydrophobicContact CD2-CZ3 3.94Å; L838-W854 HydrophobicContact CG-CH2 3.83Å; L838-W854 HydrophobicContact CG-CZ3 3.82Å; L838-L861 HydrophobicContact CD1-CD2 3.51Å; L838-I866 HydrophobicContact CD1-CD1 4.47Å; L838-I886 HydrophobicContact CD2-CB 4.15Å; L838-I886 HydrophobicContact CD2-CD1 4.17Å; L838-I886 HydrophobicContact CD2-CG1 4.2Å; L838-I886 HydrophobicContact CD2-CG2 3.75Å
839K92.9Very high92.8Very high19 Ų1942.1 Ų42.18%0.08321%0.21CC..Hα-helixtrans-57.6-45.7168.7-166.9-148.2177.8-64.90111.7W835 F836 L841 C842 D843 F849W835-K839 HydrophobicContact CE3-CB 4.5Å; W835-K839 HydrophobicContact CZ3-CD 4.31Å; W835-K839 WeakPolarHBondContact O-CB 3.5Å; W835-K839 PolarHBondContact O-N 3.26Å; F836-K839 PolarHBondContact O-N 3.02Å; K839-L841 PolarHBondContact O-N 3.25Å; K839-C842 WeakPolarHBondContact O-CB 3.27Å; K839-C842 PolarHBondContact O-N 2.94Å; K839-C842 VanDerWaalsContact O-N 3.13Å; K839-D843 IonicContact NZ-OD1 3.04Å; K839-D843 PolarHBondContact NZ-OD1 3.37Å; K839-D843 IonicContact NZ-OD2 3.26Å; K839-D843 PolarHBondContact NZ-OD2 3.36Å; K839-D843 PolarHBondContact O-N 3.26Å; K839-F849 HydrophobicContact CB-CB 4.24Å; K839-F849 HydrophobicContact CB-CD1 4.47Å; K839-F849 HydrophobicContact CB-CD2 3.93Å; K839-F849 HydrophobicContact CB-CE2 4.39Å; K839-F849 HydrophobicContact CB-CG 3.98Å; K839-F849 HydrophobicContact CG-CB 3.65Å; K839-F849 HydrophobicContact CG-CD1 4.3Å; K839-F849 HydrophobicContact CG-CD2 4.3Å; K839-F849 HydrophobicContact CG-CG 3.85Å
840A92Very high92.5Very high48 Ų4843.6 Ų43.640%0.39722%0.217SC..Hα-helixtrans-63.5-28.4177.700000113.2F836 T837 L838 R844F836-A840 PolarHBondContact O-N 2.85Å; T837-A840 WeakPolarHBondContact O-CB 3.25Å; T837-A840 PolarHBondContact O-N 3.06Å; L838-A840 PolarHBondContact O-N 3.12Å; A840-R844 VanDerWaalsContact O-CB 3.24Å; A840-R844 WeakPolarHBondContact O-CB 3.43Å; A840-R844 PolarHBondContact O-N 2.81Å
841L93Very high92.2Very high9 Ų949.5 Ų49.55%0.04724%0.239CC..Hα-helixtrans-73.7-38.4170.9-68175.2000112.8W684 T837 L838 K839 R844 N845 L861 I866W684-L841 HydrophobicContact CH2-CB 3.66Å; W684-L841 HydrophobicContact CH2-CD1 3.92Å; W684-L841 HydrophobicContact CH2-CG 4.42Å; W684-L841 HydrophobicContact CZ2-CB 4.07Å; W684-L841 HydrophobicContact CZ2-CD1 4.28Å; W684-L841 HydrophobicContact CZ3-CB 4.15Å; T837-L841 PolarHBondContact O-N 3.44Å; L838-L841 HydrophobicContact CD1-CD1 4.43Å; L838-L841 WeakPolarHBondContact O-CB 3.36Å; L838-L841 PolarHBondContact O-N 3.43Å; K839-L841 PolarHBondContact O-N 3.25Å; L841-R844 PolarHBondContact O-N 3.05Å; L841-N845 WeakPolarHBondContact O-CB 3.48Å; L841-N845 PolarHBondContact O-N 3.14Å; L841-N845 PolarHBondContact O-ND2 2.87Å; L841-L861 HydrophobicContact CD1-CD2 3.95Å; L841-I866 HydrophobicContact CD1-CD1 3.69Å
842C94.3Very high92.1Very high0 Ų052 Ų520%025%0.252CS..Hα-helixtrans-63-47.4171.4-630000111L838 K839 R844 N845 N846 V847 F849 W854L838-C842 PolarHBondContact O-N 2.89Å; L838-C842 PolarHBondContact O-SG 3.48Å; L838-C842 VanDerWaalsContact O-SG 3.39Å; K839-C842 WeakPolarHBondContact O-CB 3.27Å; K839-C842 PolarHBondContact O-N 2.94Å; K839-C842 VanDerWaalsContact O-N 3.13Å; C842-R844 VanDerWaalsContact C-N 3.34Å; C842-R844 PolarHBondContact O-N 3.36Å; C842-N845 CarbonylContact O-C 3.55Å; C842-N845 PolarHBondContact O-N 3.01Å; C842-N846 PolarHBondContact O-N 2.84Å; C842-V847 CarbonylContact C-O 3.59Å; C842-V847 VanDerWaalsContact C-O 3.29Å; C842-V847 HydrophobicContact CB-CB 4.11Å; C842-V847 HydrophobicContact CB-CG1 4.28Å; C842-V847 WeakPolarHBondContact CB-O 3.49Å; C842-V847 PolarHBondContact O-N 3.25Å; C842-F849 HydrophobicContact CB-CB 4.18Å; C842-W854 VanDerWaalsContact SG-CE3 3.53Å
843D92.8Very high92.1Very high79 Ų7953 Ų5342%0.42226%0.259SS..Hα-helixtrans-56.2-47.2175.7-65.5-16.9000111K839 N845 N846K839-D843 IonicContact NZ-OD1 3.04Å; K839-D843 PolarHBondContact NZ-OD1 3.37Å; K839-D843 IonicContact NZ-OD2 3.26Å; K839-D843 PolarHBondContact NZ-OD2 3.36Å; K839-D843 PolarHBondContact O-N 3.26Å; D843-N845 VanDerWaalsContact C-N 3.26Å; D843-N845 PolarHBondContact O-N 3.31Å; D843-N846 PolarHBondContact O-N 3.38Å; D843-N846 VanDerWaalsContact O-N 3.13Å
844R93.9Very high92.3Very high175 Ų17548.4 Ų48.466%0.6624%0.238SC*.Hα-helixtrans-60.7-32.9176.5177.5179.6174.5-165.1-5.4113.1A840 L841 C842A840-R844 VanDerWaalsContact O-CB 3.24Å; A840-R844 WeakPolarHBondContact O-CB 3.43Å; A840-R844 PolarHBondContact O-N 2.81Å; L841-R844 PolarHBondContact O-N 3.05Å; C842-R844 VanDerWaalsContact C-N 3.34Å; C842-R844 PolarHBondContact O-N 3.36Å
845N92.6Very high92.5Very high53 Ų5347.1 Ų47.128%0.28323%0.233SC..THydrogen-bonded Turntrans-92.46.9179-77.6-76.9000113.6W684 L841 C842 D843 E860W684-N845 HydrophobicContact CB-CB 3.86Å; W684-N845 HydrophobicContact CD2-CB 4.36Å; W684-N845 HydrophobicContact CG-CB 3.75Å; W684-N845 PolarHBondContact NE1-ND2 3.46Å; L841-N845 WeakPolarHBondContact O-CB 3.48Å; L841-N845 PolarHBondContact O-N 3.14Å; L841-N845 PolarHBondContact O-ND2 2.87Å; C842-N845 CarbonylContact O-C 3.55Å; C842-N845 PolarHBondContact O-N 3.01Å; D843-N845 VanDerWaalsContact C-N 3.26Å; D843-N845 PolarHBondContact O-N 3.31Å; N845-E860 PolarHBondContact ND2-OE2 3.4Å; N845-E860 VanDerWaalsContact ND2-OE2 3.11Å
846N92.7Very high92.5Very high148 Ų14846.6 Ų46.679%0.79123%0.231SC*.THydrogen-bonded Turntrans64.146.3-179.5-49.9-90.2000114C842 D843C842-N846 PolarHBondContact O-N 2.84Å; D843-N846 PolarHBondContact O-N 3.38Å; D843-N846 VanDerWaalsContact O-N 3.13Å
847V92.7Very high92.5Very high6 Ų643.3 Ų43.34%0.03622%0.218CC..  trans-128.1129.8-178.9175.20000109.7W684 C842 F849 D852 W854W684-V847 HydrophobicContact CB-CG2 4.06Å; C842-V847 CarbonylContact C-O 3.59Å; C842-V847 VanDerWaalsContact C-O 3.29Å; C842-V847 HydrophobicContact CB-CB 4.11Å; C842-V847 HydrophobicContact CB-CG1 4.28Å; C842-V847 WeakPolarHBondContact CB-O 3.49Å; C842-V847 PolarHBondContact O-N 3.25Å; V847-F849 PolarHBondContact O-N 3.22Å; V847-D852 HydrophobicContact CG1-CB 3.7Å; V847-W854 HydrophobicContact CG1-CB 3.69Å; V847-W854 HydrophobicContact CG1-CG 3.81Å
848D92.5Very high92.3Very high45 Ų4542.1 Ų42.124%0.24121%0.21CC..  trans-75108.8170-175.7-34.8000110.1F850 R851 D852D848-F850 PolarHBondContact O-N 2.8Å; D848-F850 WeakPolarHBondContact OD1-CA 3.35Å; D848-F850 WeakPolarHBondContact OD1-CB 3.36Å; D848-F850 PolarHBondContact OD1-N 3.24Å; D848-R851 HydrophobicContact CB-CB 4.06Å; D848-R851 PolarHBondContact O-N 2.89Å; D848-R851 PolarHBondContact OD1-N 3.26Å; D848-R851 VanDerWaalsContact OD1-N 3.1Å; D848-R851 WeakPolarHBondContact OD2-CD 3.2Å; D848-R851 WeakPolarHBondContact OD2-CG 3.36Å; D848-R851 IonicContact OD2-CZ 2.67Å; D848-R851 IonicContact OD2-NE 3.18Å; D848-R851 IonicContact OD2-NH1 2.77Å; D848-R851 PolarHBondContact OD2-NH1 3.17Å; D848-D852 WeakPolarHBondContact CB-OD2 3.04Å; D848-D852 PolarHBondContact N-OD2 3.47Å; D848-D852 WeakPolarHBondContact O-CB 3.36Å; D848-D852 PolarHBondContact O-N 3.45Å
849F92.9Very high92Very high12 Ų1248.8 Ų48.85%0.05324%0.242CC..THydrogen-bonded Turntrans-49.1-31.7178.4177.4-91.4000114.7W835 L838 K839 C842 V847 W854W835-F849 HydrophobicContact CB-CZ 4.45Å; W835-F849 HydrophobicContact CE3-CE1 4.15Å; W835-F849 HydrophobicContact CE3-CZ 4.34Å; L838-F849 HydrophobicContact CB-CE2 4.28Å; L838-F849 HydrophobicContact CD2-CE2 4.48Å; L838-F849 HydrophobicContact CG-CE2 4.2Å; K839-F849 HydrophobicContact CB-CB 4.24Å; K839-F849 HydrophobicContact CB-CD1 4.47Å; K839-F849 HydrophobicContact CB-CD2 3.93Å; K839-F849 HydrophobicContact CB-CE2 4.39Å; K839-F849 HydrophobicContact CB-CG 3.98Å; K839-F849 HydrophobicContact CG-CB 3.65Å; K839-F849 HydrophobicContact CG-CD1 4.3Å; K839-F849 HydrophobicContact CG-CD2 4.3Å; K839-F849 HydrophobicContact CG-CG 3.85Å; C842-F849 HydrophobicContact CB-CB 4.18Å; V847-F849 PolarHBondContact O-N 3.22Å; F849-W854 AromaticContact CD2-CH2 3.74Å; F849-W854 HydrophobicContact CD2-CH2 3.74Å; F849-W854 AromaticContact CD2-CZ2 3.43Å; F849-W854 HydrophobicContact CD2-CZ2 3.43Å; F849-W854 VanDerWaalsContact CD2-CZ2 3.43Å; F849-W854 AromaticContact CE2-CH2 3.58Å; F849-W854 HydrophobicContact CE2-CH2 3.58Å; F849-W854 AromaticContact CE2-CZ2 3.58Å; F849-W854 HydrophobicContact CE2-CZ2 3.58Å; F849-W854 HydrophobicContact CG-CZ2 4.15Å; F849-W854 HydrophobicContact CZ-CZ2 4.39Å; F849-W854 PolarHBondContact O-NE1 3.43Å; F849-W854 VanDerWaalsContact O-NE1 3.17Å
850F90.7Very high91.8Very high30 Ų3049.9 Ų49.913%0.13225%0.247CC..THydrogen-bonded Turntrans-95-28.9-177.2-56.2-80.7000113.5W835 D848 I937 Y941 F943W835-F850 HydrophobicContact CZ3-CZ 4.15Å; D848-F850 PolarHBondContact O-N 2.8Å; D848-F850 WeakPolarHBondContact OD1-CA 3.35Å; D848-F850 WeakPolarHBondContact OD1-CB 3.36Å; D848-F850 PolarHBondContact OD1-N 3.24Å; F850-I937 HydrophobicContact CE1-CG2 4.07Å; F850-I937 HydrophobicContact CZ-CG2 3.8Å; F850-Y941 HydrophobicContact CD2-CD2 4.39Å; F850-Y941 HydrophobicContact CD2-CG 4.13Å; F850-Y941 HydrophobicContact CE2-CD1 4.03Å; F850-Y941 AromaticContact CE2-CD2 3.43Å; F850-Y941 HydrophobicContact CE2-CD2 3.43Å; F850-Y941 VanDerWaalsContact CE2-CD2 3.43Å; F850-Y941 HydrophobicContact CE2-CE1 4.4Å; F850-Y941 AromaticContact CE2-CE2 3.83Å; F850-Y941 HydrophobicContact CE2-CE2 3.83Å; F850-Y941 AromaticContact CE2-CG 3.54Å; F850-Y941 HydrophobicContact CE2-CG 3.54Å; F850-Y941 AromaticContact CZ-CD2 3.61Å; F850-Y941 HydrophobicContact CZ-CD2 3.61Å; F850-Y941 AromaticContact CZ-CE2 3.94Å; F850-Y941 HydrophobicContact CZ-CE2 3.94Å; F850-Y941 HydrophobicContact CZ-CG 4.18Å; F850-F943 HydrophobicContact CB-CD2 3.86Å; F850-F943 HydrophobicContact CB-CE2 4.12Å; F850-F943 HydrophobicContact CB-CG 4.41Å; F850-F943 WeakPolarHBondContact O-CE2 3.5Å
851R90.1Very high91.7Very high125 Ų12547.6 Ų47.647%0.47223%0.228SC..THydrogen-bonded Turntrans-110.4-35.4-170.3-62.2-175176.688.90.4114.9D848 Y941 T942 F943D848-R851 HydrophobicContact CB-CB 4.06Å; D848-R851 PolarHBondContact O-N 2.89Å; D848-R851 PolarHBondContact OD1-N 3.26Å; D848-R851 VanDerWaalsContact OD1-N 3.1Å; D848-R851 WeakPolarHBondContact OD2-CD 3.2Å; D848-R851 WeakPolarHBondContact OD2-CG 3.36Å; D848-R851 IonicContact OD2-CZ 2.67Å; D848-R851 IonicContact OD2-NE 3.18Å; D848-R851 IonicContact OD2-NH1 2.77Å; D848-R851 PolarHBondContact OD2-NH1 3.17Å; R851-Y941 PolarHBondContact NH1-O 3.21Å; R851-Y941 PolarHBondContact NH2-O 2.91Å; R851-T942 PolarHBondContact NH2-O 2.88Å; R851-T942 PolarHBondContact NH2-OG1 3.02Å; R851-T942 VanDerWaalsContact NH2-OG1 3.17Å; R851-F943 HydrophobicContact CG-CD2 4.19Å; R851-F943 HydrophobicContact CG-CE2 4.39Å
852D90.7Very high91.4Very high63 Ų6351.9 Ų51.934%0.33724%0.244SC..SBendtrans-83160.5-175.1-79.4-53.7000112.2Q685 V847 D848 W854Q685-D852 PolarHBondContact NE2-OD1 2.91Å; V847-D852 HydrophobicContact CG1-CB 3.7Å; D848-D852 WeakPolarHBondContact CB-OD2 3.04Å; D848-D852 PolarHBondContact N-OD2 3.47Å; D848-D852 WeakPolarHBondContact O-CB 3.36Å; D848-D852 PolarHBondContact O-N 3.45Å; D852-W854 VanDerWaalsContact O-CD1 3.24Å
853S92.9Very high91Very high41 Ų4159.4 Ų59.429%0.28728%0.279SS..  trans-90.4119.1168.9-68.20000109.5F686F686-S853 WeakPolarHBondContact CB-O 3.2Å; F686-S853 PolarHBondContact N-O 3.39Å; F686-S853 WeakPolarHBondContact O-CB 3.39Å
854W94.4Very high90.7Very high1 Ų157.8 Ų57.80%0.00427%0.274CS..BIsolated β-bridgetrans-133156.9-177.848.8-80000114.7W684 S805 A806 L838 C842 V847 F849 D852 P856 I886W684-W854 HydrophobicContact CE3-CE3 4.09Å; W684-W854 HydrophobicContact CZ3-CE3 4.03Å; W684-W854 HydrophobicContact CZ3-CZ3 4.23Å; W684-W854 CarbonylContact O-C 3.28Å; W684-W854 WeakPolarHBondContact O-CA 3.06Å; W684-W854 WeakPolarHBondContact O-CB 3.44Å; S805-W854 WeakPolarHBondContact CB-O 3.34Å; A806-W854 HydrophobicContact CB-CD2 3.9Å; A806-W854 HydrophobicContact CB-CE3 3.47Å; A806-W854 VanDerWaalsContact CB-CE3 3.47Å; A806-W854 HydrophobicContact CB-CH2 3.68Å; A806-W854 HydrophobicContact CB-CZ2 4.1Å; A806-W854 HydrophobicContact CB-CZ3 3.36Å; A806-W854 PolarHBondContact N-O 3.29Å; L838-W854 HydrophobicContact CD1-CZ3 4.02Å; L838-W854 HydrophobicContact CD2-CH2 3.78Å; L838-W854 HydrophobicContact CD2-CZ3 3.94Å; L838-W854 HydrophobicContact CG-CH2 3.83Å; L838-W854 HydrophobicContact CG-CZ3 3.82Å; C842-W854 VanDerWaalsContact SG-CE3 3.53Å; V847-W854 HydrophobicContact CG1-CB 3.69Å; V847-W854 HydrophobicContact CG1-CG 3.81Å; F849-W854 AromaticContact CD2-CH2 3.74Å; F849-W854 HydrophobicContact CD2-CH2 3.74Å; F849-W854 AromaticContact CD2-CZ2 3.43Å; F849-W854 HydrophobicContact CD2-CZ2 3.43Å; F849-W854 VanDerWaalsContact CD2-CZ2 3.43Å; F849-W854 AromaticContact CE2-CH2 3.58Å; F849-W854 HydrophobicContact CE2-CH2 3.58Å; F849-W854 AromaticContact CE2-CZ2 3.58Å; F849-W854 HydrophobicContact CE2-CZ2 3.58Å; F849-W854 HydrophobicContact CG-CZ2 4.15Å; F849-W854 HydrophobicContact CZ-CZ2 4.39Å; F849-W854 PolarHBondContact O-NE1 3.43Å; F849-W854 VanDerWaalsContact O-NE1 3.17Å; D852-W854 VanDerWaalsContact O-CD1 3.24Å; W854-P856 HydrophobicContact CE3-CG 3.88Å; W854-P856 HydrophobicContact CZ3-CG 3.76Å; W854-I886 HydrophobicContact CH2-CG2 4.14Å
855W94.5Very high90.4Very high3 Ų350.1 Ų50.11%0.01125%0.249CC..  trans-135.8110178.5-166.8-85.6000109.8P672 N675 W684 F686 R803 T804 W888 H890P672-W855 HydrophobicContact CB-CZ2 4.35Å; P672-W855 PolarHBondContact O-NE1 2.9Å; N675-W855 HydrophobicContact CB-CB 3.85Å; N675-W855 HydrophobicContact CB-CG 3.99Å; W684-W855 PolarHBondContact O-N 2.93Å; F686-W855 HydrophobicContact CB-CB 4.13Å; R803-W855 HydrophobicContact CB-CE3 4.28Å; R803-W855 HydrophobicContact CB-CH2 4.34Å; R803-W855 HydrophobicContact CB-CZ3 3.72Å; R803-W855 HydrophobicContact CG-CE3 4.17Å; R803-W855 HydrophobicContact CG-CH2 3.75Å; R803-W855 HydrophobicContact CG-CZ2 4.47Å; R803-W855 HydrophobicContact CG-CZ3 3.57Å; T804-W855 WeakPolarHBondContact O-CZ3 3.25Å; W855-W888 AromaticContact CE2-CD1 3.78Å; W855-W888 HydrophobicContact CE3-CB 4.4Å; W855-W888 HydrophobicContact CH2-CB 4.43Å; W855-W888 AromaticContact CH2-CD1 3.62Å; W855-W888 HydrophobicContact CH2-CG 4.45Å; W855-W888 AromaticContact CZ2-CD1 3.58Å; W855-W888 HydrophobicContact CZ3-CB 4.05Å; W855-W888 AromaticContact CZ3-CD1 3.89Å; W855-W888 HydrophobicContact CZ3-CG 4.39Å; W855-H890 HydrophobicContact CH2-CB 3.94Å; W855-H890 HydrophobicContact CZ2-CB 4.36Å
856P93Very high90.3Very high1 Ų147.6 Ų47.61%0.00624%0.236CC..  trans-62.6141.8-174.5-27.536.6000114.4W684 A806 W854 L858 L861 W888W684-P856 HydrophobicContact CH2-CB 3.93Å; W684-P856 HydrophobicContact CZ2-CB 4.47Å; W684-P856 HydrophobicContact CZ3-CB 3.96Å; W684-P856 HydrophobicContact CZ3-CG 4.13Å; A806-P856 HydrophobicContact CB-CG 3.94Å; W854-P856 HydrophobicContact CE3-CG 3.88Å; W854-P856 HydrophobicContact CZ3-CG 3.76Å; P856-L858 PolarHBondContact O-N 3.25Å; P856-L861 HydrophobicContact CB-CD1 3.68Å; P856-L861 HydrophobicContact CB-CD2 4.29Å; P856-L861 HydrophobicContact CB-CG 4.1Å; P856-W888 HydrophobicContact CB-CH2 4.2Å; P856-W888 HydrophobicContact CB-CZ2 3.99Å; P856-W888 HydrophobicContact CG-CD2 4.15Å; P856-W888 HydrophobicContact CG-CE3 4.09Å; P856-W888 HydrophobicContact CG-CH2 3.91Å; P856-W888 HydrophobicContact CG-CZ2 3.91Å; P856-W888 HydrophobicContact CG-CZ3 3.99Å
857C90.3Very high90.2Very high14 Ų1440.6 Ų40.610%0.09520%0.199CC..  trans-77.1116.3164.3-174.90000109.7E859 E860 L861C857-E859 PolarHBondContact O-N 3.34Å; C857-E860 HydrophobicContact CB-CB 4.17Å; C857-E860 HydrophobicContact CB-CG 4.2Å; C857-E860 VanDerWaalsContact CB-OE1 3.29Å; C857-E860 WeakPolarHBondContact CB-OE1 3.09Å; C857-E860 PolarHBondContact O-N 2.96Å; C857-L861 WeakPolarHBondContact O-CG 3.34Å; C857-L861 PolarHBondContact O-N 2.6Å; C857-L861 VanDerWaalsContact O-N 3.13Å
858L88Confident90.2Very high12 Ų1240.5 Ų40.56%0.06320%0.198CC..Hα-helixtrans-58.3-32.8-179.2-61.1178.6000112.6E673 F828 P856 L861 W862 I868 W888E673-L858 HydrophobicContact CB-CD1 4.38Å; E673-L858 HydrophobicContact CG-CD1 4.07Å; F828-L858 HydrophobicContact CD1-CD2 4.09Å; F828-L858 HydrophobicContact CE1-CD1 4.11Å; F828-L858 HydrophobicContact CE1-CD2 4.24Å; P856-L858 PolarHBondContact O-N 3.25Å; L858-L861 HydrophobicContact CD2-CD1 4.44Å; L858-L861 PolarHBondContact O-N 2.86Å; L858-W862 HydrophobicContact CB-CH2 4.13Å; L858-W862 HydrophobicContact CB-CZ2 4.24Å; L858-W862 HydrophobicContact CB-CZ3 4.32Å; L858-W862 VanDerWaalsContact O-CG 3.29Å; L858-W862 PolarHBondContact O-N 3.07Å; L858-W862 VanDerWaalsContact O-N 3.1Å; L858-I868 HydrophobicContact CD2-CD1 3.87Å; L858-W888 HydrophobicContact CD2-CZ2 4.12Å
859E85.8Confident90.3Very high140 Ų14039.4 Ų39.465%0.65419%0.19SC*.Hα-helixtrans-66.7-47.6178.9-61.1178.2173.100111.2C857 L861 W862 E863C857-E859 PolarHBondContact O-N 3.34Å; E859-L861 VanDerWaalsContact C-N 3.33Å; E859-L861 PolarHBondContact O-N 3.02Å; E859-W862 PolarHBondContact O-N 2.91Å; E859-E863 WeakPolarHBondContact O-CG 3.49Å; E859-E863 PolarHBondContact O-N 3.12Å
860E88.6Confident90.4Very high42 Ų4242.9 Ų42.920%0.19620%0.203CC..Hα-helixtrans-63.2-35175.3-75.1175.2-104.300113.1W684 N845 C857 E863 S864W684-E860 HydrophobicContact CZ2-CB 4.12Å; W684-E860 PolarHBondContact NE1-OE1 3.3Å; W684-E860 PolarHBondContact NE1-OE2 3.08Å; W684-E860 VanDerWaalsContact NE1-OE2 3.16Å; N845-E860 PolarHBondContact ND2-OE2 3.4Å; N845-E860 VanDerWaalsContact ND2-OE2 3.11Å; C857-E860 HydrophobicContact CB-CB 4.17Å; C857-E860 HydrophobicContact CB-CG 4.2Å; C857-E860 VanDerWaalsContact CB-OE1 3.29Å; C857-E860 WeakPolarHBondContact CB-OE1 3.09Å; C857-E860 PolarHBondContact O-N 2.96Å; E860-E863 PolarHBondContact O-N 3.02Å; E860-S864 VanDerWaalsContact O-CB 3.29Å; E860-S864 WeakPolarHBondContact O-CB 3.5Å; E860-S864 PolarHBondContact O-N 3.32Å; E860-S864 PolarHBondContact O-OG 3.36Å
861L90Very high90.5Very high0 Ų042.3 Ų42.30%020%0.201CC..Hα-helixtrans-63.1-44.9174.1-66.4-177.8000111.3W684 L838 L841 P856 C857 L858 E859 S864 G865 I866 I868 W888W684-L861 HydrophobicContact CH2-CD2 3.99Å; L838-L861 HydrophobicContact CD1-CD2 3.51Å; L841-L861 HydrophobicContact CD1-CD2 3.95Å; P856-L861 HydrophobicContact CB-CD1 3.68Å; P856-L861 HydrophobicContact CB-CD2 4.29Å; P856-L861 HydrophobicContact CB-CG 4.1Å; C857-L861 WeakPolarHBondContact O-CG 3.34Å; C857-L861 PolarHBondContact O-N 2.6Å; C857-L861 VanDerWaalsContact O-N 3.13Å; L858-L861 HydrophobicContact CD2-CD1 4.44Å; L858-L861 PolarHBondContact O-N 2.86Å; E859-L861 VanDerWaalsContact C-N 3.33Å; E859-L861 PolarHBondContact O-N 3.02Å; L861-S864 CarbonylContact O-C 3.48Å; L861-S864 PolarHBondContact O-N 3.34Å; L861-G865 PolarHBondContact O-N 2.97Å; L861-I866 HydrophobicContact CB-CB 4.35Å; L861-I866 HydrophobicContact CD2-CB 4.44Å; L861-I866 HydrophobicContact CD2-CD1 3.74Å; L861-I866 HydrophobicContact CD2-CG2 4.45Å; L861-I866 PolarHBondContact O-N 3.3Å; L861-I868 HydrophobicContact CB-CD1 3.85Å; L861-I868 HydrophobicContact CD1-CD1 3.51Å; L861-I868 HydrophobicContact CD1-CG1 4.2Å; L861-I868 HydrophobicContact CG-CD1 4.35Å; L861-W888 HydrophobicContact CD1-CH2 3.62Å; L861-W888 HydrophobicContact CD1-CZ2 3.88Å
862W86.5Confident90.6Very high100 Ų10037.9 Ų37.938%0.37919%0.189SC..Hα-helixtrans-70.1-34.1177.7-63.8-31.2000113.3L602 L858 E859 S864 G865L602-W862 HydrophobicContact CD1-CB 4.26Å; L602-W862 WeakPolarHBondContact CD1-O 3.29Å; L858-W862 HydrophobicContact CB-CH2 4.13Å; L858-W862 HydrophobicContact CB-CZ2 4.24Å; L858-W862 HydrophobicContact CB-CZ3 4.32Å; L858-W862 VanDerWaalsContact O-CG 3.29Å; L858-W862 PolarHBondContact O-N 3.07Å; L858-W862 VanDerWaalsContact O-N 3.1Å; E859-W862 PolarHBondContact O-N 2.91Å; W862-S864 VanDerWaalsContact C-N 3.29Å; W862-G865 PolarHBondContact O-N 2.95Å
863E85.9Confident90.8Very high157 Ų15734.9 Ų34.973%0.73417%0.173SC*.Hα-helixtrans-64.7-35.2170.4-72.8-169.1161.500112E859 E860 G865E859-E863 WeakPolarHBondContact O-CG 3.49Å; E859-E863 PolarHBondContact O-N 3.12Å; E860-E863 PolarHBondContact O-N 3.02Å; E863-G865 PolarHBondContact O-N 3.08Å
864S86.9Confident90.7Very high46 Ų4637.2 Ų37.232%0.32218%0.178SC..THydrogen-bonded Turntrans-80.31.4176.3-53.20000113.9E860 L861 W862 I866E860-S864 VanDerWaalsContact O-CB 3.29Å; E860-S864 WeakPolarHBondContact O-CB 3.5Å; E860-S864 PolarHBondContact O-N 3.32Å; E860-S864 PolarHBondContact O-OG 3.36Å; L861-S864 CarbonylContact O-C 3.48Å; L861-S864 PolarHBondContact O-N 3.34Å; W862-S864 VanDerWaalsContact C-N 3.29Å; S864-I866 PolarHBondContact O-N 3.19Å
865G87.7Confident90.6Very high14 Ų1439.6 Ų39.614%0.14420%0.198CC..THydrogen-bonded Turntrans6917.8-179.800000114.8L602 L861 W862 E863L602-G865 VanDerWaalsContact CD2-O 3.29Å; L602-G865 WeakPolarHBondContact CD2-O 3.37Å; L861-G865 PolarHBondContact O-N 2.97Å; W862-G865 PolarHBondContact O-N 2.95Å; E863-G865 PolarHBondContact O-N 3.08Å
866I89.4Confident90.6Very high0 Ų039.9 Ų39.90%020%0.201CC..  trans-80124.5179.7-61.3173.1000109.1V830 Y834 T837 L838 L841 L861 S864V830-I866 HydrophobicContact CB-CG2 4.38Å; V830-I866 HydrophobicContact CG1-CG2 3.47Å; V830-I866 VanDerWaalsContact CG1-CG2 3.47Å; V830-I866 HydrophobicContact CG2-CG2 3.92Å; Y834-I866 HydrophobicContact CD1-CB 4.46Å; Y834-I866 HydrophobicContact CD1-CG1 4.16Å; Y834-I866 HydrophobicContact CD1-CG2 4.37Å; Y834-I866 HydrophobicContact CG-CG2 4.33Å; T837-I866 HydrophobicContact CG2-CD1 3.99Å; T837-I866 HydrophobicContact CG2-CG1 4.27Å; L838-I866 HydrophobicContact CD1-CD1 4.47Å; L841-I866 HydrophobicContact CD1-CD1 3.69Å; L861-I866 HydrophobicContact CB-CB 4.35Å; L861-I866 HydrophobicContact CD2-CB 4.44Å; L861-I866 HydrophobicContact CD2-CD1 3.74Å; L861-I866 HydrophobicContact CD2-CG2 4.45Å; L861-I866 PolarHBondContact O-N 3.3Å; S864-I866 PolarHBondContact O-N 3.19Å
867P91.4Very high90.8Very high1 Ų140.3 Ų40.31%0.00620%0.203CC..  trans-86.9143.1179.337.4-36.7000111.5L597 L602 M604 Y834L597-P867 HydrophobicContact CD1-CB 3.78Å; L597-P867 HydrophobicContact CD1-CG 3.82Å; L602-P867 HydrophobicContact CD2-CB 4.33Å; L602-P867 CarbonylContact O-C 3.59Å; L602-P867 WeakPolarHBondContact O-CA 3.02Å; M604-P867 HydrophobicContact CE-CB 3.76Å; M604-P867 HydrophobicContact CE-CG 3.96Å; M604-P867 HydrophobicContact CG-CB 3.99Å; M604-P867 HydrophobicContact SD-CB 3.83Å; M604-P867 HydrophobicContact SD-CG 4.23Å; Y834-P867 HydrophobicContact CD2-CG 4.23Å; Y834-P867 VanDerWaalsContact CE1-CD 3.41Å; Y834-P867 HydrophobicContact CE1-CG 4.24Å; Y834-P867 HydrophobicContact CE2-CG 3.59Å
868I92.9Very high91.1Very high3 Ų339.6 Ų39.62%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-128.9132.3-169.3-48.9175.8000109.9L602 M604 A829 V830 L858 L861L602-I868 PolarHBondContact O-N 3.4Å; M604-I868 PolarHBondContact N-O 2.95Å; A829-I868 CarbonylContact O-C 3.6Å; A829-I868 WeakPolarHBondContact O-CA 3.36Å; V830-I868 HydrophobicContact CG2-CG1 4.35Å; L858-I868 HydrophobicContact CD2-CD1 3.87Å; L861-I868 HydrophobicContact CB-CD1 3.85Å; L861-I868 HydrophobicContact CD1-CD1 3.51Å; L861-I868 HydrophobicContact CD1-CG1 4.2Å; L861-I868 HydrophobicContact CG-CD1 4.35Å
869Y94.3Very high91.6Very high23 Ų2339 Ų399%0.0920%0.196CC..EExtended strand (participates in β ladder)trans-86.7135.3160.8-59-78.9000109.7M604 P630 I631 F828 A829 P831M604-Y869 HydrophobicContact CB-CD1 3.56Å; M604-Y869 HydrophobicContact CB-CE1 3.51Å; M604-Y869 HydrophobicContact CB-CG 4.28Å; M604-Y869 HydrophobicContact CE-CD1 4.25Å; M604-Y869 HydrophobicContact CE-CD2 3.67Å; M604-Y869 HydrophobicContact CE-CE1 3.88Å; M604-Y869 HydrophobicContact CE-CE2 3.24Å; M604-Y869 HydrophobicContact CE-CG 4.16Å; M604-Y869 HydrophobicContact CG-CE1 4.46Å; M604-Y869 HydrophobicContact SD-CE1 4.22Å; M604-Y869 HydrophobicContact SD-CE2 4.42Å; P630-Y869 HydrophobicContact CG-CE2 3.6Å; P630-Y869 WeakPolarHBondContact CG-OH 3.45Å; I631-Y869 HydrophobicContact CG2-CD1 4.36Å; I631-Y869 HydrophobicContact CG2-CD2 3.56Å; I631-Y869 HydrophobicContact CG2-CE2 4.06Å; I631-Y869 HydrophobicContact CG2-CG 3.72Å; F828-Y869 VanDerWaalsContact CA-O 3.31Å; F828-Y869 WeakPolarHBondContact CA-O 3.43Å; A829-Y869 HydrophobicContact CB-CD2 4.38Å; A829-Y869 PolarHBondContact N-O 2.89Å; A829-Y869 PolarHBondContact O-N 2.87Å; P831-Y869 HydrophobicContact CG-CE2 4.14Å
870R93.9Very high92.2Very high84 Ų8432.4 Ų32.432%0.31717%0.165SC..EExtended strand (participates in β ladder)trans-133.8125.8174-176.5-176.5176.8161.65.9110.5L603 E673 E826 W827 F828L603-R870 HydrophobicContact CD1-CB 4.02Å; E673-R870 IonicContact OE1-CZ 3.86Å; E673-R870 IonicContact OE1-NH1 2.85Å; E673-R870 PolarHBondContact OE1-NH1 3.01Å; E673-R870 IonicContact OE1-NH2 3.36Å; E673-R870 PolarHBondContact OE1-NH2 3.4Å; E826-R870 VanDerWaalsContact CD-NE 3.32Å; E826-R870 HydrophobicContact CG-CG 4.48Å; E826-R870 IonicContact OE1-CZ 3.64Å; E826-R870 VanDerWaalsContact OE1-CZ 3.27Å; E826-R870 IonicContact OE1-NE 3.35Å; E826-R870 PolarHBondContact OE1-NE 3.1Å; E826-R870 IonicContact OE1-NH2 3.79Å; E826-R870 PolarHBondContact OE1-NH2 3.34Å; E826-R870 IonicContact OE2-CZ 3.75Å; E826-R870 IonicContact OE2-NE 3.85Å; E826-R870 IonicContact OE2-NH2 2.79Å; E826-R870 PolarHBondContact OE2-NH2 2.92Å; W827-R870 WeakPolarHBondContact O-CA 3.38Å; F828-R870 HydrophobicContact CD1-CB 4.35Å; F828-R870 HydrophobicContact CD1-CG 4.02Å; F828-R870 HydrophobicContact CE1-CB 4.44Å; F828-R870 HydrophobicContact CE1-CG 3.69Å; F828-R870 HydrophobicContact CZ-CG 4.21Å
871F93.3Very high92.6Very high19 Ų1930.5 Ų30.58%0.08316%0.156CC..EExtended strand (participates in β ladder)trans-158.1160.2-178.162.5-84.4000114.4T606 I631 L633 E826 W827 V879T606-F871 HydrophobicContact CG2-CB 4.35Å; T606-F871 HydrophobicContact CG2-CD1 3.45Å; T606-F871 VanDerWaalsContact CG2-CD1 3.45Å; T606-F871 HydrophobicContact CG2-CD2 4.42Å; T606-F871 HydrophobicContact CG2-CE1 3.69Å; T606-F871 HydrophobicContact CG2-CG 3.83Å; T606-F871 HydrophobicContact CG2-CZ 4.28Å; T606-F871 WeakPolarHBondContact OG1-CD1 3.48Å; I631-F871 HydrophobicContact CD1-CE1 3.79Å; I631-F871 HydrophobicContact CD1-CZ 3.76Å; I631-F871 HydrophobicContact CG1-CE1 4.16Å; I631-F871 HydrophobicContact CG1-CZ 4.06Å; I631-F871 HydrophobicContact CG2-CE1 4.31Å; L633-F871 HydrophobicContact CB-CE2 4.42Å; L633-F871 HydrophobicContact CD1-CD2 4.27Å; L633-F871 HydrophobicContact CD1-CE2 4.02Å; L633-F871 HydrophobicContact CD2-CD2 3.91Å; L633-F871 HydrophobicContact CD2-CE2 4.43Å; L633-F871 HydrophobicContact CG-CD2 4.49Å; E826-F871 WeakPolarHBondContact CA-O 3.33Å; W827-F871 HydrophobicContact CB-CD1 4.04Å; W827-F871 HydrophobicContact CB-CD2 4.09Å; W827-F871 HydrophobicContact CB-CE1 3.61Å; W827-F871 HydrophobicContact CB-CE2 3.63Å; W827-F871 HydrophobicContact CB-CG 4.29Å; W827-F871 HydrophobicContact CB-CZ 3.4Å; W827-F871 AromaticContact CD1-CE2 3.98Å; W827-F871 HydrophobicContact CD2-CE2 4.47Å; W827-F871 HydrophobicContact CD2-CZ 4.24Å; W827-F871 HydrophobicContact CG-CD2 4.49Å; W827-F871 HydrophobicContact CG-CE1 4.45Å; W827-F871 AromaticContact CG-CE2 3.76Å; W827-F871 HydrophobicContact CG-CE2 3.76Å; W827-F871 AromaticContact CG-CZ 3.76Å; W827-F871 HydrophobicContact CG-CZ 3.76Å; W827-F871 PolarHBondContact N-O 3.1Å; W827-F871 PolarHBondContact O-N 2.99Å; W827-F871 VanDerWaalsContact O-N 3.08Å; F871-V879 HydrophobicContact CE2-CG2 3.77Å; F871-V879 HydrophobicContact CZ-CG1 4.12Å; F871-V879 HydrophobicContact CZ-CG2 4.16Å
872S92.1Very high92.9Very high32 Ų3230.6 Ų30.622%0.22416%0.157CC..EExtended strand (participates in β ladder)trans-96.2129.3168.4168.30000112R635 E824 C825R635-S872 PolarHBondContact NH2-O 3.45Å; E824-S872 PolarHBondContact OE2-OG 3.04Å; C825-S872 WeakPolarHBondContact O-CA 3.49Å
873Q94.5Very high93.3Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-94.1112.5167.7-179.6-163.929.400109.1L633 N817 N819 C825 D877 V879 N915L633-Q873 HydrophobicContact CD1-CB 4.38Å; L633-Q873 HydrophobicContact CD1-CG 4.34Å; N817-Q873 PolarHBondContact O-NE2 3.2Å; N817-Q873 PolarHBondContact OD1-NE2 3.04Å; N819-Q873 HydrophobicContact CB-CG 3.81Å; N819-Q873 VanDerWaalsContact N-NE2 3.19Å; N819-Q873 PolarHBondContact ND2-O 3.05Å; C825-Q873 PolarHBondContact N-O 2.87Å; C825-Q873 VanDerWaalsContact N-O 3.15Å; C825-Q873 PolarHBondContact O-N 3.18Å; Q873-D877 HydrophobicContact CG-CB 3.85Å; Q873-D877 PolarHBondContact NE2-O 3.42Å; Q873-D877 VanDerWaalsContact NE2-O 3.1Å; Q873-V879 HydrophobicContact CB-CG2 4.14Å; Q873-V879 HydrophobicContact CG-CG2 3.83Å; Q873-N915 PolarHBondContact OE1-ND2 2.74Å
874K92.2Very high93.7Very high90 Ų9019.5 Ų19.539%0.39111%0.11SC..  trans-84167.3179.7-59.2-172.8175.4-78.20111.8N819 E824 G876 D877N819-K874 WeakPolarHBondContact CB-O 3.3Å; N819-K874 PolarHBondContact ND2-O 2.88Å; E824-K874 HydrophobicContact CG-CG 4.33Å; E824-K874 IonicContact OE1-NZ 2.72Å; E824-K874 PolarHBondContact OE1-NZ 3.32Å; E824-K874 IonicContact OE2-NZ 3.87Å; E824-K874 PolarHBondContact OE2-NZ 3.35Å; K874-G876 PolarHBondContact O-N 3.49Å; K874-D877 WeakPolarHBondContact CB-OD2 3.37Å; K874-D877 PolarHBondContact N-OD2 3Å; K874-D877 VanDerWaalsContact O-CB 3.31Å; K874-D877 WeakPolarHBondContact O-CB 3.46Å; K874-D877 PolarHBondContact O-N 3.35Å
875A91.9Very high94.2Very high51 Ų5117.4 Ų17.442%0.42110%0.095SC..THydrogen-bonded Turntrans-54.2124.5171.500000111.1
876G93.9Very high94.6Very high8 Ų816.7 Ų16.78%0.0829%0.088CC..THydrogen-bonded Turntrans85.8-7.6-174.700000116T638 N819 K874T638-G876 WeakPolarHBondContact CG2-O 3.35Å; T638-G876 WeakPolarHBondContact OG1-CA 3.29Å; T638-G876 PolarHBondContact OG1-O 2.6Å; N819-G876 PolarHBondContact O-N 2.97Å; K874-G876 PolarHBondContact O-N 3.49Å
877D96.5Very high95Very high10 Ų1017.7 Ų17.75%0.0539%0.092CC..PPolyproline II helixtrans-76.1135.3174-71.2-13.9000110.8L633 R635 N819 Q873 K874L633-D877 HydrophobicContact CD1-CB 3.86Å; R635-D877 VanDerWaalsContact CG-OD1 3.25Å; R635-D877 WeakPolarHBondContact CG-OD1 3.49Å; R635-D877 IonicContact CZ-OD2 2.73Å; R635-D877 IonicContact NE-OD1 3.46Å; R635-D877 IonicContact NE-OD2 2.67Å; R635-D877 PolarHBondContact NE-OD2 2.85Å; R635-D877 IonicContact NH2-OD2 3.57Å; R635-D877 PolarHBondContact NH2-OD2 2.93Å; N819-D877 PolarHBondContact N-O 3.43Å; Q873-D877 HydrophobicContact CG-CB 3.85Å; Q873-D877 PolarHBondContact NE2-O 3.42Å; Q873-D877 VanDerWaalsContact NE2-O 3.1Å; K874-D877 WeakPolarHBondContact CB-OD2 3.37Å; K874-D877 PolarHBondContact N-OD2 3Å; K874-D877 VanDerWaalsContact O-CB 3.31Å; K874-D877 WeakPolarHBondContact O-CB 3.46Å; K874-D877 PolarHBondContact O-N 3.35Å
878V97.8Very high95.3Very high0 Ų017.7 Ų17.70%09%0.091CC..EExtended strand (participates in β ladder)trans-100.7131.8174.1-174.60000109.3I634 L637 T638 I816 N817 V818I634-V878 HydrophobicContact CB-CB 4.27Å; I634-V878 PolarHBondContact N-O 3.12Å; I634-V878 PolarHBondContact O-N 3.36Å; L637-V878 HydrophobicContact CB-CG2 4.28Å; L637-V878 HydrophobicContact CD2-CB 4.45Å; L637-V878 HydrophobicContact CD2-CG2 4.1Å; T638-V878 HydrophobicContact CG2-CG2 3.95Å; I816-V878 HydrophobicContact CG2-CG1 4.06Å; N817-V878 CarbonylContact O-C 3.52Å; N817-V878 WeakPolarHBondContact O-CA 3.08Å; V818-V878 HydrophobicContact CG1-CG2 4.13Å; V818-V878 HydrophobicContact CG2-CG1 4.21Å; V818-V878 HydrophobicContact CG2-CG2 3.95Å
879V98.3Very high95.4Very high0 Ų017.7 Ų17.70%09%0.092CC..EExtended strand (participates in β ladder)trans-102.3127.8170.2177.60000108.4I631 A632 L633 N817 W827 F871 Q873 I881I631-V879 HydrophobicContact CD1-CG1 4.06Å; I631-V879 HydrophobicContact CG1-CG1 3.93Å; A632-V879 WeakPolarHBondContact O-CA 3.37Å; L633-V879 HydrophobicContact CD1-CG2 3.75Å; N817-V879 HydrophobicContact CB-CB 4.39Å; N817-V879 PolarHBondContact N-O 3.32Å; N817-V879 PolarHBondContact O-N 3.1Å; W827-V879 HydrophobicContact CD2-CG1 4.4Å; W827-V879 HydrophobicContact CD2-CG2 4.37Å; W827-V879 HydrophobicContact CE3-CG1 4.15Å; W827-V879 HydrophobicContact CH2-CB 4.46Å; W827-V879 HydrophobicContact CH2-CG1 4.27Å; W827-V879 HydrophobicContact CZ2-CB 4.34Å; W827-V879 HydrophobicContact CZ2-CG2 4.29Å; W827-V879 HydrophobicContact CZ3-CG1 4.07Å; F871-V879 HydrophobicContact CE2-CG2 3.77Å; F871-V879 HydrophobicContact CZ-CG1 4.12Å; F871-V879 HydrophobicContact CZ-CG2 4.16Å; Q873-V879 HydrophobicContact CB-CG2 4.14Å; Q873-V879 HydrophobicContact CG-CG2 3.83Å; V879-I881 HydrophobicContact CG1-CD1 3.91Å; V879-I881 HydrophobicContact CG1-CG1 4.16Å
880W98Very high95.4Very high0 Ų016.6 Ų16.60%09%0.087CC..EExtended strand (participates in β ladder)trans-94.3125.3164167.2-92.1000108.5C626 Y627 I631 A632 F770 A814 I816 V920 P922C626-W880 HydrophobicContact CB-CB 4.39Å; C626-W880 HydrophobicContact CB-CD2 3.68Å; C626-W880 HydrophobicContact CB-CE3 4.18Å; C626-W880 HydrophobicContact CB-CG 3.72Å; C626-W880 PolarHBondContact O-NE1 2.98Å; Y627-W880 AromaticContact CD1-CH2 3.88Å; Y627-W880 HydrophobicContact CD1-CH2 3.88Å; Y627-W880 AromaticContact CD1-CZ2 3.69Å; Y627-W880 HydrophobicContact CD1-CZ2 3.69Å; Y627-W880 AromaticContact CE1-CH2 3.57Å; Y627-W880 HydrophobicContact CE1-CH2 3.57Å; Y627-W880 AromaticContact CE1-CZ2 3.9Å; Y627-W880 HydrophobicContact CE1-CZ2 3.9Å; Y627-W880 HydrophobicContact CE1-CZ3 4.24Å; I631-W880 WeakPolarHBondContact CA-O 3.05Å; I631-W880 WeakPolarHBondContact CG1-O 3.5Å; A632-W880 HydrophobicContact CB-CB 4.29Å; A632-W880 PolarHBondContact N-O 3.03Å; A632-W880 PolarHBondContact O-N 2.59Å; F770-W880 HydrophobicContact CD2-CE3 4.18Å; F770-W880 AromaticContact CD2-CZ3 3.85Å; F770-W880 HydrophobicContact CD2-CZ3 3.85Å; F770-W880 HydrophobicContact CE2-CE3 4.07Å; F770-W880 HydrophobicContact CE2-CZ3 4.21Å; A814-W880 HydrophobicContact CB-CH2 3.59Å; A814-W880 HydrophobicContact CB-CZ2 3.67Å; A814-W880 HydrophobicContact CB-CZ3 4.35Å; I816-W880 HydrophobicContact CD1-CE3 3.53Å; I816-W880 HydrophobicContact CD1-CZ3 3.87Å; W880-V920 HydrophobicContact CH2-CG2 3.95Å; W880-V920 HydrophobicContact CZ3-CG2 3.63Å; W880-P922 HydrophobicContact CH2-CG 3.77Å; W880-P922 HydrophobicContact CZ2-CG 4.29Å
881I98.1Very high95.3Very high2 Ų212.6 Ų12.61%0.017%0.072CC..EExtended strand (participates in β ladder)trans-105.5113.3170.3-55.588.9000106.8A814 G815 N817 W827 V879 T885 Y887A814-I881 CarbonylContact C-O 3.44Å; A814-I881 WeakPolarHBondContact CA-O 3.37Å; A814-I881 VanDerWaalsContact CB-O 3.26Å; A814-I881 WeakPolarHBondContact CB-O 3.42Å; G815-I881 PolarHBondContact N-O 3.32Å; G815-I881 WeakPolarHBondContact O-CD1 3.05Å; G815-I881 PolarHBondContact O-N 3.27Å; N817-I881 HydrophobicContact CB-CD1 4.34Å; W827-I881 HydrophobicContact CH2-CD1 4.06Å; W827-I881 HydrophobicContact CZ3-CD1 4.01Å; W827-I881 HydrophobicContact CZ3-CG1 4.02Å; V879-I881 HydrophobicContact CG1-CD1 3.91Å; V879-I881 HydrophobicContact CG1-CG1 4.16Å; I881-T885 HydrophobicContact CG2-CG2 4.43Å; I881-Y887 HydrophobicContact CG1-CD1 4.24Å; I881-Y887 HydrophobicContact CG1-CE1 4.11Å; I881-Y887 HydrophobicContact CG2-CD1 3.76Å; I881-Y887 HydrophobicContact CG2-CE1 3.9Å
882G96.4Very high94.7Very high2 Ų213.1 Ų13.12%0.0218%0.077CC..  trans-76.4159179.400000113P630 G884 T885P630-G882 PolarHBondContact O-N 2.72Å; G882-G884 PolarHBondContact O-N 3.23Å; G882-T885 WeakPolarHBondContact O-CB 3.48Å; G882-T885 PolarHBondContact O-N 3.45Å; G882-T885 VanDerWaalsContact O-N 3.08Å; G882-T885 PolarHBondContact O-OG1 3.34Å
883E95Very high93.3Very high24 Ų2412.4 Ų12.411%0.1127%0.071CC..THydrogen-bonded Turntrans-45117.8-172.642.7-99.1-11700114.5N812 T885 T924 Q927 L930N812-E883 WeakPolarHBondContact O-CA 3.33Å; E883-T885 VanDerWaalsContact C-N 3.31Å; E883-T885 PolarHBondContact O-N 3.29Å; E883-T924 PolarHBondContact OE1-OG1 3.17Å; E883-Q927 PolarHBondContact OE1-N 3.12Å; E883-L930 HydrophobicContact CB-CD1 4.03Å; E883-L930 HydrophobicContact CG-CD1 3.81Å
884G94.2Very high91.3Very high1 Ų115.4 Ų15.41%0.019%0.086CC..THydrogen-bonded Turntrans72.98.8175.900000116.7Q808 N812 V832 G882Q808-G884 PolarHBondContact NE2-O 2.94Å; N812-G884 PolarHBondContact O-N 3.32Å; N812-G884 VanDerWaalsContact O-N 3.16Å; N812-G884 WeakPolarHBondContact OD1-CA 3.45Å; V832-G884 WeakPolarHBondContact CB-O 3.46Å; V832-G884 WeakPolarHBondContact CG2-O 3.41Å; G882-G884 PolarHBondContact O-N 3.23Å
885T96.7Very high89Confident1 Ų115.9 Ų15.91%0.0069%0.092CC..  trans-63136.4175.8-61.40000111.5P630 A829 V830 I881 G882 E883P630-T885 WeakPolarHBondContact CA-OG1 3.45Å; P630-T885 HydrophobicContact CB-CG2 4.2Å; P630-T885 VanDerWaalsContact CB-OG1 3.26Å; P630-T885 WeakPolarHBondContact CB-OG1 3.33Å; P630-T885 WeakPolarHBondContact O-CB 3.26Å; P630-T885 WeakPolarHBondContact O-CG2 3.28Å; P630-T885 PolarHBondContact O-OG1 3.06Å; A829-T885 HydrophobicContact CB-CG2 4.07Å; V830-T885 WeakPolarHBondContact O-CG2 3.48Å; I881-T885 HydrophobicContact CG2-CG2 4.43Å; G882-T885 WeakPolarHBondContact O-CB 3.48Å; G882-T885 PolarHBondContact O-N 3.45Å; G882-T885 VanDerWaalsContact O-N 3.08Å; G882-T885 PolarHBondContact O-OG1 3.34Å; E883-T885 VanDerWaalsContact C-N 3.31Å; E883-T885 PolarHBondContact O-N 3.29Å
886I96.8Very high86.3Confident0 Ų017.6 Ų17.60%010%0.099CC..EExtended strand (participates in β ladder)trans-88.9131.6174.8-41107.3000108.6H807 Q808 A829 V830 P831 W835 L838 W854H807-I886 WeakPolarHBondContact O-CA 3.4Å; H807-I886 VanDerWaalsContact O-CG2 3.31Å; H807-I886 WeakPolarHBondContact O-CG2 3.48Å; Q808-I886 HydrophobicContact CG-CB 3.99Å; Q808-I886 HydrophobicContact CG-CG1 3.44Å; Q808-I886 VanDerWaalsContact CG-CG1 3.44Å; Q808-I886 HydrophobicContact CG-CG2 4.17Å; A829-I886 CarbonylContact C-O 3.29Å; A829-I886 VanDerWaalsContact CA-O 3.25Å; A829-I886 WeakPolarHBondContact CA-O 3.15Å; V830-I886 HydrophobicContact CB-CB 4.41Å; V830-I886 HydrophobicContact CB-CD1 4.04Å; V830-I886 HydrophobicContact CG1-CD1 3.85Å; V830-I886 PolarHBondContact N-O 2.85Å; V830-I886 PolarHBondContact O-N 3.09Å; P831-I886 WeakPolarHBondContact O-CD1 3.16Å; W835-I886 HydrophobicContact CB-CD1 4.07Å; W835-I886 HydrophobicContact CB-CG1 4.37Å; L838-I886 HydrophobicContact CD2-CB 4.15Å; L838-I886 HydrophobicContact CD2-CD1 4.17Å; L838-I886 HydrophobicContact CD2-CG1 4.2Å; L838-I886 HydrophobicContact CD2-CG2 3.75Å; W854-I886 HydrophobicContact CH2-CG2 4.14Å
887Y97.5Very high83.5Confident20 Ų2023.8 Ų23.88%0.07813%0.131CC..EExtended strand (participates in β ladder)trans-147.5159.1179.475.2-91.5000114.1A806 H807 E809 W827 F828 I881 V889A806-Y887 WeakPolarHBondContact CA-O 3.49Å; H807-Y887 AromaticContact CE1-CE2 3.55Å; H807-Y887 AromaticContact CE1-CZ 3.48Å; H807-Y887 VanDerWaalsContact CE1-CZ 3.48Å; H807-Y887 PolarHBondContact N-O 2.81Å; H807-Y887 AromaticContact NE2-CZ 3.55Å; H807-Y887 PolarHBondContact NE2-OH 3.46Å; H807-Y887 PolarHBondContact O-N 3.12Å; E809-Y887 HydrophobicContact CG-CE1 4.25Å; E809-Y887 PolarHBondContact OE1-OH 3.5Å; E809-Y887 VanDerWaalsContact OE1-OH 3.11Å; W827-Y887 AromaticContact CE3-CD2 3.88Å; W827-Y887 HydrophobicContact CE3-CD2 3.88Å; W827-Y887 HydrophobicContact CE3-CE2 4.37Å; W827-Y887 HydrophobicContact CE3-CG 4.49Å; W827-Y887 HydrophobicContact CH2-CD2 4.4Å; W827-Y887 HydrophobicContact CH2-CE2 4.08Å; W827-Y887 AromaticContact CZ3-CD2 3.45Å; W827-Y887 HydrophobicContact CZ3-CD2 3.45Å; W827-Y887 VanDerWaalsContact CZ3-CD2 3.45Å; W827-Y887 AromaticContact CZ3-CE2 3.54Å; W827-Y887 HydrophobicContact CZ3-CE2 3.54Å; W827-Y887 HydrophobicContact CZ3-CG 4.15Å; F828-Y887 CarbonylContact O-C 3.56Å; F828-Y887 WeakPolarHBondContact O-CA 3.43Å; F828-Y887 VanDerWaalsContact O-CB 3.3Å; F828-Y887 WeakPolarHBondContact O-CB 3.45Å; I881-Y887 HydrophobicContact CG1-CD1 4.24Å; I881-Y887 HydrophobicContact CG1-CE1 4.11Å; I881-Y887 HydrophobicContact CG2-CD1 3.76Å; I881-Y887 HydrophobicContact CG2-CE1 3.9Å; Y887-V889 HydrophobicContact CD2-CG2 3.71Å; Y887-V889 HydrophobicContact CE2-CG2 3.8Å
888W96.5Very high80.4Confident1 Ų131.9 Ų31.90%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-140.8153.7170.754.2107.3000111.2A806 F828 V830 W855 P856 L858 L861A806-W888 HydrophobicContact CB-CB 4.03Å; A806-W888 HydrophobicContact CB-CD2 4.14Å; A806-W888 HydrophobicContact CB-CE3 3.79Å; A806-W888 HydrophobicContact CB-CG 4.3Å; F828-W888 HydrophobicContact CB-CD2 3.64Å; F828-W888 HydrophobicContact CB-CE3 4.32Å; F828-W888 HydrophobicContact CB-CG 3.92Å; F828-W888 HydrophobicContact CB-CH2 4.3Å; F828-W888 HydrophobicContact CB-CZ2 3.65Å; F828-W888 HydrophobicContact CD1-CZ2 4.46Å; F828-W888 AromaticContact CD2-CD1 3.69Å; F828-W888 HydrophobicContact CD2-CG 4.5Å; F828-W888 AromaticContact CD2-NE1 3.66Å; F828-W888 AromaticContact CG-CD1 3.86Å; F828-W888 HydrophobicContact CG-CD2 4.5Å; F828-W888 AromaticContact CG-CE2 3.82Å; F828-W888 HydrophobicContact CG-CZ2 4.27Å; F828-W888 AromaticContact CG-NE1 3.4Å; F828-W888 PolarHBondContact N-O 3.36Å; F828-W888 PolarHBondContact O-N 2.87Å; V830-W888 HydrophobicContact CG2-CH2 3.81Å; V830-W888 HydrophobicContact CG2-CZ3 3.89Å; W855-W888 AromaticContact CE2-CD1 3.78Å; W855-W888 HydrophobicContact CE3-CB 4.4Å; W855-W888 HydrophobicContact CH2-CB 4.43Å; W855-W888 AromaticContact CH2-CD1 3.62Å; W855-W888 HydrophobicContact CH2-CG 4.45Å; W855-W888 AromaticContact CZ2-CD1 3.58Å; W855-W888 HydrophobicContact CZ3-CB 4.05Å; W855-W888 AromaticContact CZ3-CD1 3.89Å; W855-W888 HydrophobicContact CZ3-CG 4.39Å; P856-W888 HydrophobicContact CB-CH2 4.2Å; P856-W888 HydrophobicContact CB-CZ2 3.99Å; P856-W888 HydrophobicContact CG-CD2 4.15Å; P856-W888 HydrophobicContact CG-CE3 4.09Å; P856-W888 HydrophobicContact CG-CH2 3.91Å; P856-W888 HydrophobicContact CG-CZ2 3.91Å; P856-W888 HydrophobicContact CG-CZ3 3.99Å; L858-W888 HydrophobicContact CD2-CZ2 4.12Å; L861-W888 HydrophobicContact CD1-CH2 3.62Å; L861-W888 HydrophobicContact CD1-CZ2 3.88Å
889V95.9Very high77.2Confident3 Ų338.3 Ų38.32%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-136.8138.5-168.2-166.50000111.4R803 T804 C825 E826 W827 Y887R803-V889 WeakPolarHBondContact CA-O 3.44Å; T804-V889 PolarHBondContact N-O 3.41Å; T804-V889 PolarHBondContact O-N 3.44Å; C825-V889 HydrophobicContact CB-CG1 4.02Å; E826-V889 WeakPolarHBondContact O-CA 3.43Å; W827-V889 HydrophobicContact CD2-CG1 4.13Å; W827-V889 HydrophobicContact CD2-CG2 3.72Å; W827-V889 HydrophobicContact CE3-CG2 3.6Å; W827-V889 HydrophobicContact CG-CG1 4.29Å; W827-V889 HydrophobicContact CG-CG2 4.45Å; W827-V889 HydrophobicContact CH2-CG2 3.85Å; W827-V889 HydrophobicContact CZ2-CG1 4.24Å; W827-V889 HydrophobicContact CZ2-CG2 3.96Å; W827-V889 HydrophobicContact CZ3-CG2 3.67Å; Y887-V889 HydrophobicContact CD2-CG2 3.71Å; Y887-V889 HydrophobicContact CE2-CG2 3.8Å
890H93.5Very high74Confident1 Ų144.8 Ų44.81%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-128.1129.7-179.7178.483.8000111.3Q670 P672 C825 E826 W855 T892 V893Q670-H890 PolarHBondContact O-CE1 2.87Å; P672-H890 HydrophobicContact CB-CB 4.06Å; C825-H890 CarbonylContact C-O 3.53Å; C825-H890 WeakPolarHBondContact CA-O 3.45Å; E826-H890 PolarHBondContact N-O 3.25Å; E826-H890 PolarHBondContact O-N 2.91Å; W855-H890 HydrophobicContact CH2-CB 3.94Å; W855-H890 HydrophobicContact CZ2-CB 4.36Å; H890-T892 PolarHBondContact O-N 3.32Å; H890-V893 PolarHBondContact NE2-N 2.8Å
891A91.5Very high70.9Confident0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-76.4114.1168.800000110.1K798 V799 G801 S802 V893K798-A891 HydrophobicContact CB-CB 4.06Å; K798-A891 HydrophobicContact CD-CB 4.2Å; V799-A891 VanDerWaalsContact O-CB 3.32Å; V799-A891 WeakPolarHBondContact O-CB 3.43Å; G801-A891 PolarHBondContact N-O 2.87Å; S802-A891 PolarHBondContact O-N 3.18Å; A891-V893 PolarHBondContact O-N 3.04Å
892T80.9Confident67.8Low30 Ų3057.6 Ų57.618%0.18429%0.291CS..  trans-55.5117.7-165.5-53.80000113.7E824 H890 Q910 G911E824-T892 PolarHBondContact O-N 3.46Å; E824-T892 PolarHBondContact O-OG1 3.37Å; H890-T892 PolarHBondContact O-N 3.32Å; T892-Q910 CarbonylContact O-C 3.58Å; T892-Q910 VanDerWaalsContact O-C 3.28Å; T892-G911 WeakPolarHBondContact O-CA 3.39Å; T892-G911 PolarHBondContact O-N 2.92Å; T892-G911 VanDerWaalsContact O-N 3.13Å
893V62.7Low64.9Low17 Ų1762.7 Ų62.710%0.10332%0.317CS..  trans-70143172.1174.10000110.8E669 P800 H890 A891 L895E669-V893 HydrophobicContact CG-CG2 4.01Å; P800-V893 HydrophobicContact CB-CG2 4.49Å; H890-V893 PolarHBondContact NE2-N 2.8Å; A891-V893 PolarHBondContact O-N 3.04Å; V893-L895 PolarHBondContact O-N 3.44Å
894M53.8Low62.3Low62 Ų6264.4 Ų64.431%0.30533%0.326SS..  trans-60.7107.4169.9-73.5-165-65.300110.4A709 P896 W912A709-M894 HydrophobicContact CB-CE 3.97Å; M894-P896 VanDerWaalsContact O-CD 3.31Å; M894-P896 WeakPolarHBondContact O-CD 3.14Å; M894-W912 HydrophobicContact CE-CH2 4.39Å
895L42.7Very low59.9Low100 Ų10068.3 Ų68.352%0.52435%0.352SS..  trans-65.7124.3177.6-69.2177.8000111.5L671 V893 F898L671-L895 HydrophobicContact CD2-CD2 3.7Å; V893-L895 PolarHBondContact O-N 3.44Å; L895-F898 HydrophobicContact CD1-CD2 4.35Å
896P36.2Very low56.9Low88 Ų8874.1 Ų74.157%0.57139%0.387SS*.SBendtrans-65.7161.7159.5-14.630.7000111.1M894 F898M894-P896 VanDerWaalsContact O-CD 3.31Å; M894-P896 WeakPolarHBondContact O-CD 3.14Å; P896-F898 VanDerWaalsContact C-N 3.35Å; P896-F898 PolarHBondContact O-N 2.99Å; P896-F898 VanDerWaalsContact O-N 3.08Å
897D34Very low54.4Low138 Ų13882.5 Ų82.574%0.73843%0.426SS*.  trans66.46.8155.6-54.1-27.7000120.3H899D897-H899 PolarHBondContact O-N 3.12Å
898F31.8Very low52Low180 Ų18086.8 Ų86.879%0.78944%0.442SS*.  trans-71.278.4158.4-101.9-78.7000111.3L895 P896 F900L895-F898 HydrophobicContact CD1-CD2 4.35Å; P896-F898 VanDerWaalsContact C-N 3.35Å; P896-F898 PolarHBondContact O-N 2.99Å; P896-F898 VanDerWaalsContact O-N 3.08Å; F898-F900 VanDerWaalsContact C-N 3.32Å; F898-F900 PolarHBondContact O-N 3.44Å
899H30.9Very low49.9Very low135 Ų13590 Ų9063%0.62546%0.459SS*.  trans-69.482.8174.8-87.555.4000111.7D897D897-H899 PolarHBondContact O-N 3.12Å
900F31.7Very low48.3Very low135 Ų13592.9 Ų92.959%0.59247%0.472SS*.  trans-122.2141144.9-103.1-85.6000109.4F898F898-F900 VanDerWaalsContact C-N 3.32Å; F898-F900 PolarHBondContact O-N 3.44Å
901N31.9Very low47.3Very low132 Ų13292.8 Ų92.871%0.70647%0.472SS*.  trans-85.4144-151.6-89.6-30.3000115.5
902L33.1Very low47.2Very low139 Ų13993.8 Ų93.873%0.72848%0.476SS*.  trans44.599.2155-73.788.2000118.3
903I36.2Very low47.7Very low110 Ų11092.4 Ų92.456%0.56447%0.467SS*.  167.6151.2117.5-85.4158.1000110.7F54F54-I903 HydrophobicContact CD1-CD1 3.42Å; F54-I903 VanDerWaalsContact CD1-CD1 3.42Å; F54-I903 HydrophobicContact CE1-CD1 3.16Å; F54-I903 HydrophobicContact CE2-CD1 4.33Å; F54-I903 HydrophobicContact CE2-CG2 4.28Å; F54-I903 HydrophobicContact CG-CD1 4.13Å; F54-I903 HydrophobicContact CZ-CD1 3.67Å; F54-I903 HydrophobicContact CZ-CG2 4.44Å
904I39.3Very low49.3Very low59 Ų5991.9 Ų91.930%0.30346%0.464SS..  trans-159.3147.2-155.2-40.4167.2000110.6R908I904-R908 HydrophobicContact CG2-CG 4.22Å
905P43.4Very low51.4Low84 Ų8488.9 Ų88.955%0.54545%0.449SS..  cis-126.3157.3-18.731.1-13.7000115.1R908P905-R908 HydrophobicContact CB-CB 4.26Å
906V35.5Very low54Low122 Ų12284.1 Ų84.174%0.73942%0.424SS*.SBend-132.2-38.7130-1790000108.7R908V906-R908 PolarHBondContact O-N 3.43Å
907E42.6Very low56.9Low176 Ų17680.8 Ų80.882%0.82240%0.404SS*.THydrogen-bonded Turntrans-72.717-174.1-54.1176.4136.500115.7Q910E907-Q910 PolarHBondContact O-NE2 3.32Å
908R48.9Very low59.9Low111 Ų11174.4 Ų74.442%0.41937%0.369SS..THydrogen-bonded Turntrans-108.87.7-179.6-67-159.1-176-163.9-12.2115.4E713 I904 P905 V906 Q910E713-R908 IonicContact OE1-CZ 3.52Å; E713-R908 IonicContact OE1-NH1 2.98Å; E713-R908 PolarHBondContact OE1-NH1 3.02Å; I904-R908 HydrophobicContact CG2-CG 4.22Å; P905-R908 HydrophobicContact CB-CB 4.26Å; V906-R908 PolarHBondContact O-N 3.43Å; R908-Q910 PolarHBondContact O-N 2.9Å
909L50.8Low63.1Low67 Ų6766 Ų6635%0.35133%0.333SS..  trans-74.438.6171.9-59.4178.4000112.7F706 P822 G823F706-L909 HydrophobicContact CE2-CD2 3.58Å; F706-L909 HydrophobicContact CZ-CD2 3.58Å; P822-L909 HydrophobicContact CB-CB 4.29Å; P822-L909 HydrophobicContact CB-CD1 3.8Å; P822-L909 HydrophobicContact CG-CB 4.43Å; P822-L909 HydrophobicContact CG-CD1 4.24Å; G823-L909 WeakPolarHBondContact CA-O 3.15Å
910Q62.7Low66.2Low64 Ų6459.7 Ų59.730%0.29930%0.304SS..  trans-74.5129.8-170.5-63.5173.912.300110.5T892 E907 R908 W912T892-Q910 CarbonylContact O-C 3.58Å; T892-Q910 VanDerWaalsContact O-C 3.28Å; E907-Q910 PolarHBondContact O-NE2 3.32Å; R908-Q910 PolarHBondContact O-N 2.9Å; Q910-W912 VanDerWaalsContact O-CZ3 3.31Å; Q910-W912 WeakPolarHBondContact O-CZ3 3.31Å; Q910-W912 PolarHBondContact O-N 2.86Å
911G72.2Confident69.3Low0 Ų053.3 Ų53.30%028%0.276CS..SBendtrans94.1-40.9173.700000117T892 C913T892-G911 WeakPolarHBondContact O-CA 3.39Å; T892-G911 PolarHBondContact O-N 2.92Å; T892-G911 VanDerWaalsContact O-N 3.13Å; G911-C913 PolarHBondContact O-N 3.34Å; G911-C913 VanDerWaalsContact O-N 3.1Å; G911-C913 PolarHBondContact O-SG 3.01Å; G911-C913 VanDerWaalsContact O-SG 3.33Å
912W89.8Confident72.3Confident21 Ų2147.1 Ų47.18%0.0824%0.243CC..  trans-72.8106.4175.4-64.1-90.4000110.7T705 F706 A709 P800 P822 G823 M894 Q910T705-W912 PolarHBondContact OG1-NE1 2.87Å; F706-W912 HydrophobicContact CB-CD2 4.31Å; F706-W912 HydrophobicContact CB-CG 4.35Å; F706-W912 AromaticContact CD2-CD2 3.68Å; F706-W912 HydrophobicContact CD2-CD2 3.68Å; F706-W912 AromaticContact CD2-CE2 3.99Å; F706-W912 AromaticContact CD2-CE3 3.8Å; F706-W912 HydrophobicContact CD2-CE3 3.8Å; F706-W912 HydrophobicContact CD2-CG 4.09Å; F706-W912 HydrophobicContact CD2-CZ2 4.41Å; F706-W912 HydrophobicContact CD2-CZ3 4.24Å; F706-W912 HydrophobicContact CE2-CE3 4.31Å; F706-W912 HydrophobicContact CG-CD2 4.46Å; A709-W912 HydrophobicContact CB-CH2 3.32Å; A709-W912 HydrophobicContact CB-CZ2 3.59Å; A709-W912 HydrophobicContact CB-CZ3 4.48Å; P800-W912 HydrophobicContact CG-CD2 3.64Å; P800-W912 HydrophobicContact CG-CE3 3.64Å; P800-W912 HydrophobicContact CG-CG 4.41Å; P800-W912 HydrophobicContact CG-CH2 3.53Å; P800-W912 HydrophobicContact CG-CZ2 3.55Å; P800-W912 HydrophobicContact CG-CZ3 3.59Å; P822-W912 VanDerWaalsContact CD-O 3.31Å; P822-W912 WeakPolarHBondContact CD-O 3.39Å; G823-W912 WeakPolarHBondContact CA-O 3.26Å; G823-W912 PolarHBondContact N-O 2.91Å; M894-W912 HydrophobicContact CE-CH2 4.39Å; Q910-W912 VanDerWaalsContact O-CZ3 3.31Å; Q910-W912 WeakPolarHBondContact O-CZ3 3.31Å; Q910-W912 PolarHBondContact O-N 2.86Å
913C92.6Very high75Confident1 Ų142.3 Ų42.31%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-153.6161.3-179.154.20000111.4K798 G821 G911K798-C913 WeakPolarHBondContact CA-O 3.49Å; K798-C913 VanDerWaalsContact CB-O 3.29Å; K798-C913 WeakPolarHBondContact CB-O 3.31Å; K798-C913 PolarHBondContact N-O 3.24Å; K798-C913 PolarHBondContact O-N 2.99Å; G821-C913 VanDerWaalsContact O-CA 3.3Å; G821-C913 WeakPolarHBondContact O-CA 3.3Å; G911-C913 PolarHBondContact O-N 3.34Å; G911-C913 VanDerWaalsContact O-N 3.1Å; G911-C913 PolarHBondContact O-SG 3.01Å; G911-C913 VanDerWaalsContact O-SG 3.33Å
914N96.1Very high77.7Confident5 Ų538.6 Ų38.63%0.02720%0.2CC..EExtended strand (participates in β ladder)trans-109.1146162.2-63.7-6.3000109.1F648 T650 Q702 V795 H796 L797 N819 I820 G821F648-N914 PolarHBondContact O-ND2 3.46Å; T650-N914 PolarHBondContact N-ND2 2.83Å; T650-N914 PolarHBondContact OG1-ND2 2.97Å; T650-N914 PolarHBondContact OG1-OD1 3.45Å; Q702-N914 PolarHBondContact NE2-OD1 3.37Å; Q702-N914 VanDerWaalsContact NE2-OD1 3.11Å; V795-N914 HydrophobicContact CG1-CB 4.24Å; H796-N914 CarbonylContact O-C 3.59Å; H796-N914 VanDerWaalsContact O-CA 3.25Å; H796-N914 WeakPolarHBondContact O-CA 3.31Å; L797-N914 HydrophobicContact CD2-CB 4.35Å; L797-N914 VanDerWaalsContact CD2-CG 3.49Å; L797-N914 VanDerWaalsContact CD2-ND2 3.34Å; L797-N914 WeakPolarHBondContact CD2-ND2 3.48Å; N819-N914 PolarHBondContact OD1-O 3.13Å; I820-N914 HydrophobicContact CB-CB 4.01Å; I820-N914 VanDerWaalsContact CB-O 3.27Å; I820-N914 WeakPolarHBondContact CB-O 3.5Å; I820-N914 HydrophobicContact CG1-CB 4.12Å; I820-N914 WeakPolarHBondContact CG1-O 3.38Å; I820-N914 HydrophobicContact CG2-CB 4.48Å; I820-N914 PolarHBondContact N-O 3.21Å; G821-N914 PolarHBondContact O-N 3.39Å
915N97.3Very high80.3Confident0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-119.6142.2165.8-67.389.7000109.8V795 H796 K798 N817 V818 N819 C825 Q873V795-N915 CarbonylContact C-O 3.59Å; V795-N915 WeakPolarHBondContact CA-O 3.43Å; H796-N915 HydrophobicContact CB-CB 4.32Å; H796-N915 PolarHBondContact N-O 2.67Å; H796-N915 PolarHBondContact O-N 2.9Å; K798-N915 WeakPolarHBondContact CD-OD1 3.44Å; K798-N915 VanDerWaalsContact CE-OD1 3.28Å; K798-N915 WeakPolarHBondContact CE-OD1 3.41Å; K798-N915 PolarHBondContact NZ-OD1 3.22Å; N817-N915 PolarHBondContact OD1-ND2 3.46Å; V818-N915 CarbonylContact O-C 3.52Å; V818-N915 VanDerWaalsContact O-CA 3.29Å; V818-N915 WeakPolarHBondContact O-CA 3.47Å; N819-N915 WeakPolarHBondContact CA-ND2 3.48Å; C825-N915 PolarHBondContact SG-OD1 3.36Å; Q873-N915 PolarHBondContact OE1-ND2 2.74Å
916I97.1Very high82.7Confident0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-104.1141.616555.1175.2000109.8F648 L764 R794 V795 N817 V818 I820 W918F648-I916 HydrophobicContact CB-CG2 4.13Å; F648-I916 HydrophobicContact CD1-CD1 4.37Å; F648-I916 HydrophobicContact CD1-CG2 3.6Å; F648-I916 HydrophobicContact CE1-CD1 4.25Å; F648-I916 HydrophobicContact CE1-CG2 4.23Å; F648-I916 HydrophobicContact CE2-CD1 4.45Å; F648-I916 HydrophobicContact CG-CD1 4.49Å; F648-I916 HydrophobicContact CG-CG2 4Å; F648-I916 HydrophobicContact CZ-CD1 4.3Å; L764-I916 HydrophobicContact CD2-CD1 3.51Å; R794-I916 WeakPolarHBondContact O-CA 3.37Å; V795-I916 HydrophobicContact CG1-CG2 4.14Å; V795-I916 HydrophobicContact CG2-CG2 4.13Å; N817-I916 CarbonylContact C-O 3.58Å; N817-I916 WeakPolarHBondContact CA-O 3.36Å; V818-I916 HydrophobicContact CB-CD1 4.02Å; V818-I916 HydrophobicContact CB-CG1 3.64Å; V818-I916 HydrophobicContact CG2-CD1 4.16Å; V818-I916 HydrophobicContact CG2-CG1 4.06Å; V818-I916 PolarHBondContact N-O 3.41Å; V818-I916 PolarHBondContact O-N 3.05Å; I820-I916 HydrophobicContact CD1-CD1 3.97Å; I820-I916 HydrophobicContact CD1-CG1 3.96Å; I820-I916 HydrophobicContact CD1-CG2 4.19Å; I820-I916 HydrophobicContact CG1-CG2 4.32Å; I916-W918 HydrophobicContact CB-CZ3 4.3Å; I916-W918 HydrophobicContact CD1-CH2 4.4Å; I916-W918 HydrophobicContact CD1-CZ3 3.94Å; I916-W918 HydrophobicContact CG1-CZ3 4.05Å
917A97.5Very high85.5Confident18 Ų1830.2 Ų30.215%0.14916%0.158CC..EExtended strand (participates in β ladder)trans-147.9152.5-179.700000113.2A793 R794 I816 N817A793-A917 WeakPolarHBondContact CA-O 3.35Å; R794-A917 PolarHBondContact N-O 3.43Å; R794-A917 PolarHBondContact O-N 2.96Å; I816-A917 VanDerWaalsContact O-CA 3.22Å; I816-A917 WeakPolarHBondContact O-CA 3.22Å; N817-A917 HydrophobicContact CB-CB 4.49Å
918W97.5Very high88.1Confident3 Ų322 Ų221%0.01112%0.119CC..EExtended strand (participates in β ladder)trans-162168.9172.258.693.3000110L764 L767 C771 L773 A793 I816 V818 I916L764-W918 HydrophobicContact CD1-CE3 4.24Å; L764-W918 HydrophobicContact CD1-CH2 4.18Å; L764-W918 HydrophobicContact CD1-CZ3 3.84Å; L764-W918 HydrophobicContact CD2-CH2 3.97Å; L764-W918 HydrophobicContact CD2-CZ3 4.1Å; L764-W918 HydrophobicContact CG-CH2 4.49Å; L767-W918 HydrophobicContact CD1-CH2 3.71Å; L767-W918 HydrophobicContact CD1-CZ2 3.57Å; C771-W918 VanDerWaalsContact O-CZ2 3.31Å; C771-W918 WeakPolarHBondContact O-CZ2 3.48Å; C771-W918 PolarHBondContact O-NE1 3.43Å; L773-W918 HydrophobicContact CD2-CB 3.46Å; L773-W918 VanDerWaalsContact CD2-CB 3.46Å; L773-W918 HydrophobicContact CD2-CD2 4Å; L773-W918 HydrophobicContact CD2-CG 3.41Å; L773-W918 VanDerWaalsContact CD2-CG 3.41Å; L773-W918 HydrophobicContact CG-CD2 4.15Å; L773-W918 HydrophobicContact CG-CG 3.99Å; A793-W918 HydrophobicContact CB-CE3 3.92Å; I816-W918 HydrophobicContact CB-CD2 4.32Å; I816-W918 HydrophobicContact CB-CZ2 3.99Å; I816-W918 HydrophobicContact CG1-CZ2 4.5Å; I816-W918 HydrophobicContact CG2-CH2 3.92Å; I816-W918 HydrophobicContact CG2-CZ2 3.52Å; I816-W918 PolarHBondContact N-O 2.85Å; I816-W918 PolarHBondContact O-N 3.32Å; V818-W918 HydrophobicContact CG2-CH2 4.27Å; I916-W918 HydrophobicContact CB-CZ3 4.3Å; I916-W918 HydrophobicContact CD1-CH2 4.4Å; I916-W918 HydrophobicContact CD1-CZ3 3.94Å; I916-W918 HydrophobicContact CG1-CZ3 4.05Å
919N98Very high90.2Very high5 Ų519.4 Ų19.43%0.02712%0.118CC..EExtended strand (participates in β ladder)trans-95.9153.8174.5-63.5108.5000112.6L780 M790 E809 F813 A814L780-N919 HydrophobicContact CD1-CB 3.57Å; M790-N919 WeakPolarHBondContact CA-OD1 3.43Å; M790-N919 HydrophobicContact CB-CB 4.17Å; M790-N919 HydrophobicContact CE-CB 4.1Å; M790-N919 VanDerWaalsContact CG-OD1 3.3Å; M790-N919 WeakPolarHBondContact CG-OD1 3.46Å; M790-N919 WeakPolarHBondContact O-CA 3.43Å; M790-N919 PolarHBondContact O-N 2.72Å; M790-N919 VanDerWaalsContact O-O 3.06Å; E809-N919 PolarHBondContact OE1-ND2 3.24Å; E809-N919 PolarHBondContact OE2-ND2 3.32Å; F813-N919 HydrophobicContact CB-CB 4.24Å; A814-N919 CarbonylContact O-C 3.57Å; A814-N919 VanDerWaalsContact O-CA 3.24Å; A814-N919 WeakPolarHBondContact O-CA 3.36Å; A814-N919 WeakPolarHBondContact O-CB 3.17Å; A814-N919 PolarHBondContact O-ND2 2.98Å; A814-N919 VanDerWaalsContact O-ND2 3.16Å
920V96.7Very high92.3Very high2 Ų217.6 Ų17.61%0.01211%0.108CC..EExtended strand (participates in β ladder)trans-133.4145.5167.7-63.90000108.2A814 I816 W880A814-V920 CarbonylContact C-O 3.59Å; A814-V920 WeakPolarHBondContact CA-O 3.44Å; A814-V920 HydrophobicContact CB-CG2 4.07Å; A814-V920 WeakPolarHBondContact CB-O 3.38Å; A814-V920 PolarHBondContact N-O 2.97Å; A814-V920 VanDerWaalsContact N-O 3.09Å; A814-V920 PolarHBondContact O-N 3.16Å; A814-V920 VanDerWaalsContact O-O 3.07Å; I816-V920 HydrophobicContact CD1-CG2 4.23Å; I816-V920 HydrophobicContact CG1-CG1 4Å; I816-V920 HydrophobicContact CG1-CG2 4.06Å; W880-V920 HydrophobicContact CH2-CG2 3.95Å; W880-V920 HydrophobicContact CZ3-CG2 3.63Å
921G95.8Very high93.9Very high1 Ų114.6 Ų14.61%0.019%0.094CC..  trans-116.8100.2172.200000110.2N778 L779 L923N778-G921 CarbonylContact C-O 3.54Å; N778-G921 WeakPolarHBondContact CA-O 3.5Å; N778-G921 PolarHBondContact OD1-N 2.96Å; L779-G921 WeakPolarHBondContact CB-O 3.34Å; L779-G921 WeakPolarHBondContact CG-O 3.42Å; L779-G921 PolarHBondContact N-O 3.02Å; G921-L923 PolarHBondContact O-N 3.49Å
922P94.2Very high94.9Very high2 Ų215.3 Ų15.31%0.01310%0.1CC..BIsolated β-bridgetrans-48.5140.2171.2-32.238.7000112.7Y627 L779 W880 T924 Q927Y627-P922 HydrophobicContact CD1-CG 4.26Å; Y627-P922 HydrophobicContact CE1-CB 4.06Å; Y627-P922 HydrophobicContact CE1-CG 3.61Å; Y627-P922 HydrophobicContact CE2-CB 3.96Å; Y627-P922 HydrophobicContact CE2-CG 4.42Å; L779-P922 VanDerWaalsContact CD1-O 3.29Å; L779-P922 WeakPolarHBondContact CD1-O 2.8Å; W880-P922 HydrophobicContact CH2-CG 3.77Å; W880-P922 HydrophobicContact CZ2-CG 4.29Å; P922-T924 HydrophobicContact CB-CG2 3.79Å; P922-T924 PolarHBondContact O-N 3.04Å; P922-Q927 HydrophobicContact CB-CB 4.44Å
923L91.1Very high95.1Very high38 Ų3817 Ų1720%0.19911%0.109CC..SBendtrans-71.159.7166.3-68.3-178.7000111.2C777 L779 G921 L956 V960 F962 L967C777-L923 PolarHBondContact O-N 3.36Å; L779-L923 HydrophobicContact CD2-CD2 3.59Å; L779-L923 HydrophobicContact CG-CD2 3.98Å; G921-L923 PolarHBondContact O-N 3.49Å; L923-L956 HydrophobicContact CD2-CD2 4.44Å; L923-V960 HydrophobicContact CD1-CG1 4.34Å; L923-F962 HydrophobicContact CD2-CE1 4.2Å; L923-L967 VanDerWaalsContact C-CD2 3.5Å; L923-L967 HydrophobicContact CB-CD2 4.26Å
924T92.6Very high95.2Very high32 Ų3217.5 Ų17.520%0.19611%0.111CC..SBendtrans-116.8151.3175.867.20000110.6Y627 E883 P922 A926 Q927 F928Y627-T924 HydrophobicContact CD2-CG2 4.04Å; Y627-T924 HydrophobicContact CE2-CG2 4.03Å; E883-T924 PolarHBondContact OE1-OG1 3.17Å; P922-T924 HydrophobicContact CB-CG2 3.79Å; P922-T924 PolarHBondContact O-N 3.04Å; T924-A926 VanDerWaalsContact C-N 3.29Å; T924-A926 PolarHBondContact O-N 2.7Å; T924-Q927 VanDerWaalsContact OG1-CB 3.25Å; T924-Q927 WeakPolarHBondContact OG1-CB 3.44Å; T924-Q927 PolarHBondContact OG1-N 3.3Å; T924-Q927 VanDerWaalsContact OG1-N 3.13Å; T924-F928 PolarHBondContact O-N 2.65Å
925S93.5Very high95.1Very high39 Ų3917.6 Ų17.627%0.27311%0.111SC..Hα-helixtrans-64.6-33.2172.550.90000112.5S929S925-S929 WeakPolarHBondContact O-CB 3.22Å; S925-S929 PolarHBondContact O-N 2.85Å
926A93.5Very high94.8Very high50 Ų5018.7 Ų18.741%0.41312%0.116SC..Hα-helixtrans-61.5-56.6175.500000112.1T924 F928 S929 L930T924-A926 VanDerWaalsContact C-N 3.29Å; T924-A926 PolarHBondContact O-N 2.7Å; A926-F928 VanDerWaalsContact C-N 3.34Å; A926-F928 PolarHBondContact O-N 2.72Å; A926-S929 PolarHBondContact O-N 3.1Å; A926-L930 PolarHBondContact O-N 3.13Å
927Q95.5Very high94.5Very high0 Ų018.9 Ų18.90%012%0.117CC..Hα-helixtrans-55.3-48177.6173.264.5105.900111.7L779 N812 E883 P922 T924 A931L779-Q927 HydrophobicContact CD1-CG 3.73Å; N812-Q927 PolarHBondContact O-NE2 3.41Å; E883-Q927 PolarHBondContact OE1-N 3.12Å; P922-Q927 HydrophobicContact CB-CB 4.44Å; T924-Q927 VanDerWaalsContact OG1-CB 3.25Å; T924-Q927 WeakPolarHBondContact OG1-CB 3.44Å; T924-Q927 PolarHBondContact OG1-N 3.3Å; T924-Q927 VanDerWaalsContact OG1-N 3.13Å; Q927-A931 VanDerWaalsContact O-CB 3.29Å; Q927-A931 WeakPolarHBondContact O-CB 3.41Å; Q927-A931 PolarHBondContact O-N 2.89Å
928F96Very high94.2Very high3 Ų318.2 Ų18.21%0.01311%0.111CC..Hα-helixtrans-65.8-38.6-179.3-172.2-89.3000112.3T924 A926 A931 A932 M949 S953 L956 L967 L970 I971 V974T924-F928 PolarHBondContact O-N 2.65Å; A926-F928 VanDerWaalsContact C-N 3.34Å; A926-F928 PolarHBondContact O-N 2.72Å; F928-A931 PolarHBondContact O-N 3.21Å; F928-A932 WeakPolarHBondContact O-CB 3.31Å; F928-A932 PolarHBondContact O-N 3.28Å; F928-M949 HydrophobicContact CD2-CE 4.15Å; F928-M949 HydrophobicContact CE2-CE 3.95Å; F928-M949 HydrophobicContact CZ-CE 4.33Å; F928-S953 WeakPolarHBondContact CZ-OG 3.3Å; F928-L956 HydrophobicContact CE2-CD1 4.31Å; F928-L967 HydrophobicContact CB-CD1 3.45Å; F928-L967 VanDerWaalsContact CB-CD1 3.45Å; F928-L967 HydrophobicContact CD1-CD1 4.23Å; F928-L967 HydrophobicContact CD2-CD1 4.15Å; F928-L967 HydrophobicContact CG-CD1 3.69Å; F928-L970 HydrophobicContact CD1-CB 3.83Å; F928-L970 HydrophobicContact CD1-CD1 4.44Å; F928-L970 HydrophobicContact CE1-CB 4.03Å; F928-I971 HydrophobicContact CD2-CG1 4.23Å; F928-I971 HydrophobicContact CE1-CG1 4.1Å; F928-I971 HydrophobicContact CE2-CG1 3.78Å; F928-I971 HydrophobicContact CZ-CG1 3.7Å; F928-V974 HydrophobicContact CE1-CG2 4.16Å; F928-V974 HydrophobicContact CZ-CG2 4.17Å
929S94.7Very high93.7Very high56 Ų5620 Ų2039%0.39212%0.119SC..Hα-helixtrans-64-49.8177-168.50000111.8S925 A926 A931 A932 E933S925-S929 WeakPolarHBondContact O-CB 3.22Å; S925-S929 PolarHBondContact O-N 2.85Å; A926-S929 PolarHBondContact O-N 3.1Å; S929-A931 VanDerWaalsContact C-N 3.27Å; S929-A931 PolarHBondContact O-N 3.46Å; S929-A932 PolarHBondContact O-N 3.17Å; S929-E933 WeakPolarHBondContact O-CB 3.4Å; S929-E933 PolarHBondContact O-N 2.91Å
930L94Very high93.2Very high30 Ų3024.3 Ų24.316%0.15714%0.141CC..Hα-helixtrans-65-30.8178.6-76.8167.4000112.6N812 V832 E883 A926 R934N812-L930 HydrophobicContact CB-CB 4.15Å; N812-L930 PolarHBondContact ND2-O 3.09Å; V832-L930 HydrophobicContact CG2-CD2 4.12Å; E883-L930 HydrophobicContact CB-CD1 4.03Å; E883-L930 HydrophobicContact CG-CD1 3.81Å; A926-L930 PolarHBondContact O-N 3.13Å; L930-R934 WeakPolarHBondContact O-CB 3.49Å; L930-R934 PolarHBondContact O-N 2.67Å
931A96.4Very high92.7Very high0 Ų027.6 Ų27.60%015%0.154CC..Hα-helixtrans-72.8-36.3174.200000113.3N811 F813 Q927 F928 S929 Y935 M949N811-A931 WeakPolarHBondContact O-CA 3.33Å; N811-A931 VanDerWaalsContact O-CB 3.23Å; N811-A931 WeakPolarHBondContact O-CB 3.38Å; F813-A931 HydrophobicContact CD2-CB 4.35Å; F813-A931 HydrophobicContact CE2-CB 3.74Å; F813-A931 HydrophobicContact CZ-CB 4.21Å; Q927-A931 VanDerWaalsContact O-CB 3.29Å; Q927-A931 WeakPolarHBondContact O-CB 3.41Å; Q927-A931 PolarHBondContact O-N 2.89Å; F928-A931 PolarHBondContact O-N 3.21Å; S929-A931 VanDerWaalsContact C-N 3.27Å; S929-A931 PolarHBondContact O-N 3.46Å; A931-Y935 VanDerWaalsContact O-CB 3.28Å; A931-Y935 WeakPolarHBondContact O-CB 3.45Å; A931-Y935 PolarHBondContact O-N 3.04Å; A931-Y935 VanDerWaalsContact O-N 3.07Å; A931-M949 HydrophobicContact CB-CE 3.71Å; A931-M949 HydrophobicContact CB-SD 3.96Å
932A94.1Very high92.2Very high15 Ų1532.2 Ų32.212%0.12418%0.182CC..Hα-helixtrans-70.4-40.2172.300000111.9L550 F928 S929 Y935 E936L550-A932 HydrophobicContact CB-CB 4.46Å; L550-A932 HydrophobicContact CD1-CB 3.94Å; F928-A932 WeakPolarHBondContact O-CB 3.31Å; F928-A932 PolarHBondContact O-N 3.28Å; S929-A932 PolarHBondContact O-N 3.17Å; A932-Y935 WeakPolarHBondContact O-CB 3.44Å; A932-Y935 PolarHBondContact O-N 3.21Å; A932-E936 PolarHBondContact O-N 3.39Å; A932-E936 VanDerWaalsContact O-N 3.09Å
933E92.7Very high92Very high57 Ų5734.7 Ų34.727%0.26619%0.193SC..Hα-helixtrans-60.4-51.5174.2-170.9-161.7131.500111S929 Y935 E936 I937S929-E933 WeakPolarHBondContact O-CB 3.4Å; S929-E933 PolarHBondContact O-N 2.91Å; E933-Y935 PolarHBondContact O-N 3.49Å; E933-E936 PolarHBondContact O-N 2.86Å; E933-E936 VanDerWaalsContact O-N 3.11Å; E933-I937 HydrophobicContact CG-CD1 3.86Å; E933-I937 WeakPolarHBondContact O-CG1 3.44Å; E933-I937 PolarHBondContact O-N 3.31Å
934R94Very high92Very high11 Ų1135.8 Ų35.84%0.04220%0.196CC..Hα-helixtrans-60.6-34.4176.2-178.450.852.583.5-1.1112.3N812 L930 I937 N938N812-R934 HydrophobicContact CB-CB 4.29Å; N812-R934 PolarHBondContact OD1-NH1 2.67Å; N812-R934 PolarHBondContact OD1-NH2 2.91Å; L930-R934 WeakPolarHBondContact O-CB 3.49Å; L930-R934 PolarHBondContact O-N 2.67Å; R934-I937 PolarHBondContact O-N 3.44Å; R934-N938 WeakPolarHBondContact CD-OD1 3.46Å; R934-N938 WeakPolarHBondContact O-CB 3.49Å; R934-N938 PolarHBondContact O-N 3.31Å; R934-N938 PolarHBondContact O-OD1 2.96Å
935Y94.2Very high92.1Very high8 Ų834.6 Ų34.63%0.03119%0.189CC..Hα-helixtrans-65.7-36.9175.5175.1-92.3000112.9L550 A931 A932 E933 K939 S945 M949 E1017L550-Y935 HydrophobicContact CD1-CD1 3.24Å; L550-Y935 HydrophobicContact CD1-CE1 3.55Å; L550-Y935 HydrophobicContact CD1-CG 4Å; L550-Y935 HydrophobicContact CD2-CE1 4.13Å; L550-Y935 HydrophobicContact CG-CD1 3.62Å; L550-Y935 HydrophobicContact CG-CE1 3.6Å; A931-Y935 VanDerWaalsContact O-CB 3.28Å; A931-Y935 WeakPolarHBondContact O-CB 3.45Å; A931-Y935 PolarHBondContact O-N 3.04Å; A931-Y935 VanDerWaalsContact O-N 3.07Å; A932-Y935 WeakPolarHBondContact O-CB 3.44Å; A932-Y935 PolarHBondContact O-N 3.21Å; E933-Y935 PolarHBondContact O-N 3.49Å; Y935-K939 WeakPolarHBondContact O-CG 3.18Å; Y935-K939 PolarHBondContact O-N 2.84Å; Y935-S945 WeakPolarHBondContact CD2-OG 3.47Å; Y935-M949 HydrophobicContact CD1-CB 4.34Å; Y935-M949 HydrophobicContact CD2-CB 3.87Å; Y935-M949 HydrophobicContact CD2-CG 3.71Å; Y935-M949 HydrophobicContact CE1-CB 4.49Å; Y935-M949 HydrophobicContact CE2-CB 4.11Å; Y935-M949 HydrophobicContact CE2-CG 4.41Å; Y935-M949 HydrophobicContact CG-CB 4.01Å; Y935-M949 HydrophobicContact CG-CG 3.82Å; Y935-E1017 HydrophobicContact CE2-CB 4.23Å; Y935-E1017 WeakPolarHBondContact CE2-OE2 3.45Å; Y935-E1017 WeakPolarHBondContact OH-CB 3.48Å; Y935-E1017 PolarHBondContact OH-OE2 3.44Å
936E91.5Very high92.2Very high22 Ų2235 Ų3510%0.10319%0.188CC..Hα-helixtrans-73.1-40.8172.4-63.2-61.6123.700112.4S549 L550 P588 A932 E933 N938 K939 L940S549-E936 VanDerWaalsContact CA-OE2 3.3Å; S549-E936 WeakPolarHBondContact CA-OE2 3.37Å; S549-E936 VanDerWaalsContact CB-OE2 3.24Å; S549-E936 WeakPolarHBondContact CB-OE2 3.28Å; S549-E936 PolarHBondContact OG-OE2 3.02Å; L550-E936 HydrophobicContact CB-CG 4.29Å; L550-E936 WeakPolarHBondContact CG-OE1 3.49Å; L550-E936 VanDerWaalsContact N-CD 3.33Å; L550-E936 PolarHBondContact N-OE1 3.48Å; P588-E936 HydrophobicContact CG-CB 4.31Å; A932-E936 PolarHBondContact O-N 3.39Å; A932-E936 VanDerWaalsContact O-N 3.09Å; E933-E936 PolarHBondContact O-N 2.86Å; E933-E936 VanDerWaalsContact O-N 3.11Å; E936-N938 VanDerWaalsContact C-N 3.33Å; E936-N938 PolarHBondContact O-N 3.48Å; E936-K939 WeakPolarHBondContact O-CB 3.36Å; E936-K939 PolarHBondContact O-N 3.16Å; E936-K939 IonicContact OE1-NZ 2.68Å; E936-K939 PolarHBondContact OE1-NZ 3.34Å; E936-K939 IonicContact OE2-NZ 3.91Å; E936-L940 PolarHBondContact O-N 3.27Å
937I90.7Very high92.3Very high4 Ų432.7 Ų32.72%0.02117%0.168CC..Hα-helixtrans-59.8-43174.2-69166.2000111P588 W835 F850 E933 R934 K939 L940 Y941P588-I937 HydrophobicContact CB-CG1 4.41Å; P588-I937 HydrophobicContact CG-CG1 4.21Å; W835-I937 HydrophobicContact CH2-CD1 3.95Å; W835-I937 HydrophobicContact CH2-CG2 4.26Å; W835-I937 HydrophobicContact CZ2-CD1 3.59Å; F850-I937 HydrophobicContact CE1-CG2 4.07Å; F850-I937 HydrophobicContact CZ-CG2 3.8Å; E933-I937 HydrophobicContact CG-CD1 3.86Å; E933-I937 WeakPolarHBondContact O-CG1 3.44Å; E933-I937 PolarHBondContact O-N 3.31Å; R934-I937 PolarHBondContact O-N 3.44Å; I937-K939 VanDerWaalsContact C-N 3.35Å; I937-K939 PolarHBondContact O-N 3.16Å; I937-L940 WeakPolarHBondContact O-CB 3.37Å; I937-L940 PolarHBondContact O-N 3.15Å; I937-L940 VanDerWaalsContact O-N 3.11Å; I937-Y941 HydrophobicContact CG2-CD2 3.77Å; I937-Y941 HydrophobicContact CG2-CE2 4Å; I937-Y941 WeakPolarHBondContact O-CD2 3.43Å; I937-Y941 PolarHBondContact O-N 3.37Å; I937-Y941 VanDerWaalsContact O-N 3.07Å
938N92.1Very high92.3Very high5 Ų532.7 Ų32.73%0.02717%0.168CC..Hα-helixtrans-59.2-43.3178.6-83.42.7000111.9R934 E936 L940 Y941 T942 F943 S945R934-N938 WeakPolarHBondContact CD-OD1 3.46Å; R934-N938 WeakPolarHBondContact O-CB 3.49Å; R934-N938 PolarHBondContact O-N 3.31Å; R934-N938 PolarHBondContact O-OD1 2.96Å; E936-N938 VanDerWaalsContact C-N 3.33Å; E936-N938 PolarHBondContact O-N 3.48Å; N938-L940 VanDerWaalsContact C-N 3.34Å; N938-L940 PolarHBondContact O-N 3.24Å; N938-Y941 PolarHBondContact O-N 2.85Å; N938-T942 PolarHBondContact O-N 3.42Å; N938-T942 VanDerWaalsContact O-N 3.16Å; N938-F943 CarbonylContact C-O 3.58Å; N938-F943 HydrophobicContact CB-CB 4.5Å; N938-F943 WeakPolarHBondContact CB-O 3.48Å; N938-F943 PolarHBondContact O-N 3.44Å; N938-S945 PolarHBondContact ND2-OG 2.92Å
939K87.2Confident92.4Very high40 Ų4032.5 Ų32.517%0.17417%0.168CC..Hα-helixtrans-58.8-44.4173.2-66.3167.6-177.1173.80112L547 F548 Y935 E936 I937 Y941 T942L547-K939 HydrophobicContact CD2-CB 4.33Å; L547-K939 HydrophobicContact CD2-CD 4.3Å; F548-K939 PolarHBondContact O-NZ 3.23Å; Y935-K939 WeakPolarHBondContact O-CG 3.18Å; Y935-K939 PolarHBondContact O-N 2.84Å; E936-K939 WeakPolarHBondContact O-CB 3.36Å; E936-K939 PolarHBondContact O-N 3.16Å; E936-K939 IonicContact OE1-NZ 2.68Å; E936-K939 PolarHBondContact OE1-NZ 3.34Å; E936-K939 IonicContact OE2-NZ 3.91Å; I937-K939 VanDerWaalsContact C-N 3.35Å; I937-K939 PolarHBondContact O-N 3.16Å; K939-Y941 VanDerWaalsContact C-N 3.34Å; K939-Y941 PolarHBondContact O-N 3.2Å; K939-T942 PolarHBondContact O-N 3.21Å
940L86.1Confident92.5Very high96 Ų9630 Ų3050%0.50315%0.15SC..Hα-helixtrans-62-40.3-178-177.664.7000112.1P587 E936 I937 N938P587-L940 HydrophobicContact CB-CD2 3.85Å; E936-L940 PolarHBondContact O-N 3.27Å; I937-L940 WeakPolarHBondContact O-CB 3.37Å; I937-L940 PolarHBondContact O-N 3.15Å; I937-L940 VanDerWaalsContact O-N 3.11Å; N938-L940 VanDerWaalsContact C-N 3.34Å; N938-L940 PolarHBondContact O-N 3.24Å
941Y86.8Confident92.6Very high71 Ų7128.7 Ų28.728%0.27814%0.143SC..THydrogen-bonded Turntrans-9211.8179.1-70-72.8000114.5F850 R851 I937 N938 K939 F943F850-Y941 HydrophobicContact CD2-CD2 4.39Å; F850-Y941 HydrophobicContact CD2-CG 4.13Å; F850-Y941 HydrophobicContact CE2-CD1 4.03Å; F850-Y941 AromaticContact CE2-CD2 3.43Å; F850-Y941 HydrophobicContact CE2-CD2 3.43Å; F850-Y941 VanDerWaalsContact CE2-CD2 3.43Å; F850-Y941 HydrophobicContact CE2-CE1 4.4Å; F850-Y941 AromaticContact CE2-CE2 3.83Å; F850-Y941 HydrophobicContact CE2-CE2 3.83Å; F850-Y941 AromaticContact CE2-CG 3.54Å; F850-Y941 HydrophobicContact CE2-CG 3.54Å; F850-Y941 AromaticContact CZ-CD2 3.61Å; F850-Y941 HydrophobicContact CZ-CD2 3.61Å; F850-Y941 AromaticContact CZ-CE2 3.94Å; F850-Y941 HydrophobicContact CZ-CE2 3.94Å; F850-Y941 HydrophobicContact CZ-CG 4.18Å; R851-Y941 PolarHBondContact NH1-O 3.21Å; R851-Y941 PolarHBondContact NH2-O 2.91Å; I937-Y941 HydrophobicContact CG2-CD2 3.77Å; I937-Y941 HydrophobicContact CG2-CE2 4Å; I937-Y941 WeakPolarHBondContact O-CD2 3.43Å; I937-Y941 PolarHBondContact O-N 3.37Å; I937-Y941 VanDerWaalsContact O-N 3.07Å; N938-Y941 PolarHBondContact O-N 2.85Å; K939-Y941 VanDerWaalsContact C-N 3.34Å; K939-Y941 PolarHBondContact O-N 3.2Å; Y941-F943 VanDerWaalsContact C-N 3.27Å; Y941-F943 PolarHBondContact O-N 3.39Å
942T86.3Confident92.6Very high97 Ų9728.7 Ų28.760%0.59514%0.143SC*.THydrogen-bonded Turntrans48.546.5-175.458.80000113.4R851 N938 K939R851-T942 PolarHBondContact NH2-O 2.88Å; R851-T942 PolarHBondContact NH2-OG1 3.02Å; R851-T942 VanDerWaalsContact NH2-OG1 3.17Å; N938-T942 PolarHBondContact O-N 3.42Å; N938-T942 VanDerWaalsContact O-N 3.16Å; K939-T942 PolarHBondContact O-N 3.21Å
943F88.3Confident92.8Very high54 Ų5428 Ų2824%0.23714%0.137CC..  trans-112.2140.3177.2-169.7-87.7000109.9F850 R851 N938 Y941 S945F850-F943 HydrophobicContact CB-CD2 3.86Å; F850-F943 HydrophobicContact CB-CE2 4.12Å; F850-F943 HydrophobicContact CB-CG 4.41Å; F850-F943 WeakPolarHBondContact O-CE2 3.5Å; R851-F943 HydrophobicContact CG-CD2 4.19Å; R851-F943 HydrophobicContact CG-CE2 4.39Å; N938-F943 CarbonylContact C-O 3.58Å; N938-F943 HydrophobicContact CB-CB 4.5Å; N938-F943 WeakPolarHBondContact CB-O 3.48Å; N938-F943 PolarHBondContact O-N 3.44Å; Y941-F943 VanDerWaalsContact C-N 3.27Å; Y941-F943 PolarHBondContact O-N 3.39Å; F943-S945 PolarHBondContact O-N 3.17Å
944K92.6Very high93Very high62 Ų6225.3 Ų25.327%0.2712%0.124SC..  trans-75.6118.9179.9-174.8172.5-176.8173.30111.8L946 E1015K944-L946 HydrophobicContact CD-CD2 4.33Å; K944-L946 HydrophobicContact CG-CD2 4.34Å; K944-L946 PolarHBondContact O-N 3.48Å; K944-E1015 HydrophobicContact CB-CB 3.9Å; K944-E1015 HydrophobicContact CD-CB 4.28Å; K944-E1015 WeakPolarHBondContact CD-OE1 3.29Å; K944-E1015 HydrophobicContact CG-CB 4.11Å
945S95Very high93Very high7 Ų725.9 Ų25.95%0.04913%0.128CC..  trans-66.1125.9157-860000109.5N811 Y935 N938 F943 Y1010N811-S945 WeakPolarHBondContact ND2-CB 3.5Å; N811-S945 PolarHBondContact ND2-OG 3.24Å; N811-S945 WeakPolarHBondContact OD1-CA 3.39Å; N811-S945 WeakPolarHBondContact OD1-CB 3.42Å; N811-S945 PolarHBondContact OD1-OG 2.98Å; Y935-S945 WeakPolarHBondContact CD2-OG 3.47Å; N938-S945 PolarHBondContact ND2-OG 2.92Å; F943-S945 PolarHBondContact O-N 3.17Å; S945-Y1010 VanDerWaalsContact O-CE1 3.26Å; S945-Y1010 WeakPolarHBondContact O-CE1 3.49Å; S945-Y1010 PolarHBondContact O-OH 2.9Å; S945-Y1010 VanDerWaalsContact O-OH 3.1Å
946L94.1Very high93Very high48 Ų4825.5 Ų25.525%0.25113%0.126SC..SBendtrans-77.4-34.3173.1-60.7-168.8000111.2I787 M790 H810 N811 K944 P948 Y1010I787-L946 VanDerWaalsContact CD1-O 3.23Å; I787-L946 WeakPolarHBondContact CD1-O 3.27Å; I787-L946 HydrophobicContact CG2-CB 4.12Å; I787-L946 HydrophobicContact CG2-CD1 4.29Å; M790-L946 HydrophobicContact SD-CB 4.15Å; H810-L946 HydrophobicContact CB-CB 4.49Å; H810-L946 HydrophobicContact CB-CD1 4.32Å; H810-L946 HydrophobicContact CB-CG 4.46Å; N811-L946 PolarHBondContact OD1-N 3.31Å; K944-L946 HydrophobicContact CD-CD2 4.33Å; K944-L946 HydrophobicContact CG-CD2 4.34Å; K944-L946 PolarHBondContact O-N 3.48Å; L946-P948 VanDerWaalsContact O-CD 3.32Å; L946-P948 WeakPolarHBondContact O-CD 3.49Å; L946-Y1010 PolarHBondContact O-OH 2.94Å
947V96.6Very high93.2Very high0 Ų025 Ų250%013%0.126CC..SBendtrans-85.4115.8176.2-172.60000109.6L780 I787 M790 N811 F813 M949 L952L780-V947 HydrophobicContact CD2-CG1 4.31Å; L780-V947 HydrophobicContact CD2-CG2 3.96Å; I787-V947 HydrophobicContact CD1-CB 4.48Å; I787-V947 HydrophobicContact CD1-CG2 4.04Å; M790-V947 HydrophobicContact CE-CG2 3.65Å; M790-V947 HydrophobicContact SD-CG2 3.66Å; N811-V947 HydrophobicContact CB-CB 4.01Å; N811-V947 HydrophobicContact CB-CG2 4.01Å; N811-V947 PolarHBondContact ND2-O 3.5Å; N811-V947 PolarHBondContact OD1-N 3.02Å; F813-V947 HydrophobicContact CD2-CG2 3.97Å; F813-V947 HydrophobicContact CE2-CB 4Å; F813-V947 HydrophobicContact CE2-CG1 3.89Å; F813-V947 HydrophobicContact CE2-CG2 3.7Å; F813-V947 HydrophobicContact CZ-CG1 3.98Å; F813-V947 HydrophobicContact CZ-CG2 4.35Å; V947-M949 HydrophobicContact CB-SD 4.45Å; V947-M949 HydrophobicContact CG1-SD 3.89Å; V947-M949 PolarHBondContact O-N 3.5Å; V947-M949 VanDerWaalsContact O-N 3.08Å; V947-L952 HydrophobicContact CG1-CD2 3.79Å
948P96.1Very high93.2Very high0 Ų029 Ų290%014%0.141CC..  trans-78.690.6177.933.2-34.5000108.8L783 L946 V950 H951 L952 Y1010 E1017L783-P948 HydrophobicContact CD1-CG 3.87Å; L946-P948 VanDerWaalsContact O-CD 3.32Å; L946-P948 WeakPolarHBondContact O-CD 3.49Å; P948-V950 VanDerWaalsContact C-N 3.26Å; P948-V950 PolarHBondContact O-N 3.28Å; P948-H951 HydrophobicContact CB-CB 4.12Å; P948-H951 HydrophobicContact CG-CB 4.21Å; P948-H951 PolarHBondContact O-N 2.87Å; P948-L952 WeakPolarHBondContact O-CB 3.39Å; P948-L952 PolarHBondContact O-N 3.42Å; P948-Y1010 WeakPolarHBondContact CB-OH 3.4Å; P948-Y1010 WeakPolarHBondContact CD-OH 3.44Å; P948-E1017 VanDerWaalsContact CA-OE2 3.3Å; P948-E1017 WeakPolarHBondContact CA-OE2 3.28Å; P948-E1017 VanDerWaalsContact CB-CD 3.42Å; P948-E1017 HydrophobicContact CB-CG 3.9Å; P948-E1017 WeakPolarHBondContact CB-OE1 3.39Å
949M97Very high93Very high0 Ų033.2 Ų33.20%016%0.163CC..Hα-helixtrans-64.4-26.8-170-70.7-60.3-65.300113.3L550 F813 F928 A931 Y935 V947 L952 S953 E1017L550-M949 HydrophobicContact CD1-CB 3.73Å; L550-M949 HydrophobicContact CD1-CG 4.42Å; F813-M949 HydrophobicContact CE2-SD 4.3Å; F813-M949 HydrophobicContact CZ-SD 4.44Å; F928-M949 HydrophobicContact CD2-CE 4.15Å; F928-M949 HydrophobicContact CE2-CE 3.95Å; F928-M949 HydrophobicContact CZ-CE 4.33Å; A931-M949 HydrophobicContact CB-CE 3.71Å; A931-M949 HydrophobicContact CB-SD 3.96Å; Y935-M949 HydrophobicContact CD1-CB 4.34Å; Y935-M949 HydrophobicContact CD2-CB 3.87Å; Y935-M949 HydrophobicContact CD2-CG 3.71Å; Y935-M949 HydrophobicContact CE1-CB 4.49Å; Y935-M949 HydrophobicContact CE2-CB 4.11Å; Y935-M949 HydrophobicContact CE2-CG 4.41Å; Y935-M949 HydrophobicContact CG-CB 4.01Å; Y935-M949 HydrophobicContact CG-CG 3.82Å; V947-M949 HydrophobicContact CB-SD 4.45Å; V947-M949 HydrophobicContact CG1-SD 3.89Å; V947-M949 PolarHBondContact O-N 3.5Å; V947-M949 VanDerWaalsContact O-N 3.08Å; M949-L952 HydrophobicContact SD-CD2 4.19Å; M949-S953 WeakPolarHBondContact O-CB 3.31Å; M949-S953 PolarHBondContact O-N 2.94Å; M949-S953 VanDerWaalsContact O-N 3.08Å; M949-S953 PolarHBondContact O-OG 3.44Å; M949-E1017 PolarHBondContact N-OE2 3.01Å
950V96.8Very high93.1Very high3 Ų332.4 Ų32.42%0.01816%0.162CC..Hα-helixtrans-73.5-52.5177-173.80000110F548 L550 P948 L952 S953 W954 S978 E1017 F1019F548-V950 HydrophobicContact CD1-CG2 4.26Å; F548-V950 HydrophobicContact CE1-CG2 3.68Å; L550-V950 HydrophobicContact CD2-CG2 4.01Å; P948-V950 VanDerWaalsContact C-N 3.26Å; P948-V950 PolarHBondContact O-N 3.28Å; V950-L952 VanDerWaalsContact C-N 3.33Å; V950-L952 PolarHBondContact O-N 3Å; V950-S953 WeakPolarHBondContact O-CB 3.29Å; V950-S953 PolarHBondContact O-N 2.93Å; V950-W954 VanDerWaalsContact O-CD1 3.24Å; V950-W954 PolarHBondContact O-N 3.49Å; V950-W954 VanDerWaalsContact O-N 3.1Å; V950-S978 WeakPolarHBondContact CG1-OG 3.36Å; V950-E1017 WeakPolarHBondContact CB-OE1 3.39Å; V950-E1017 PolarHBondContact N-OE1 3.28Å; V950-E1017 PolarHBondContact N-OE2 2.72Å; V950-F1019 HydrophobicContact CB-CB 4.08Å; V950-F1019 HydrophobicContact CB-CG 4.23Å; V950-F1019 HydrophobicContact CG1-CB 3.8Å; V950-F1019 HydrophobicContact CG1-CD1 3.76Å; V950-F1019 HydrophobicContact CG1-CD2 4.09Å; V950-F1019 HydrophobicContact CG1-CE1 4.41Å; V950-F1019 HydrophobicContact CG1-CG 3.58Å
951H96.3Very high93.1Very high3 Ų338.5 Ų38.51%0.01418%0.178CC..Hα-helixtrans-55-47.1173.7172.284.5000112L783 H785 P948 S953 W954 Q955 R1002 S1008 E1017 F1019L783-H951 PolarHBondContact O-NE2 3.11Å; H785-H951 AromaticContact CE1-CD2 3.85Å; H785-H951 AromaticContact CE1-NE2 3.81Å; H785-H951 AromaticContact ND1-NE2 3.81Å; P948-H951 HydrophobicContact CB-CB 4.12Å; P948-H951 HydrophobicContact CG-CB 4.21Å; P948-H951 PolarHBondContact O-N 2.87Å; H951-S953 VanDerWaalsContact C-N 3.33Å; H951-S953 PolarHBondContact O-N 3.24Å; H951-W954 PolarHBondContact O-N 2.9Å; H951-W954 VanDerWaalsContact O-N 3.15Å; H951-Q955 PolarHBondContact CE1-NE2 3.36Å; H951-Q955 WeakPolarHBondContact O-CG 3.25Å; H951-Q955 PolarHBondContact O-N 2.9Å; H951-R1002 PolarHBondContact CE1-NH1 3.08Å; H951-R1002 PolarHBondContact CE1-NH2 3.48Å; H951-R1002 VanDerWaalsContact CE1-NH2 3.31Å; H951-R1002 PolarHBondContact ND1-NH1 3.11Å; H951-S1008 PolarHBondContact CD2-OG 2.66Å; H951-S1008 VanDerWaalsContact CG-OG 3.24Å; H951-E1017 WeakPolarHBondContact CB-OE1 3.43Å; H951-E1017 PolarHBondContact N-OE1 3.16Å; H951-F1019 HydrophobicContact CB-CD2 4.11Å; H951-F1019 HydrophobicContact CB-CE2 4.41Å
952L96.4Very high93Very high0 Ų035.5 Ų35.50%017%0.166CC..Hα-helixtrans-57.6-45.4177.3176.158.2000111.5L779 L783 F813 V947 P948 M949 V950 W954 Q955 L956L779-L952 VanDerWaalsContact O-CD1 3.32Å; L779-L952 WeakPolarHBondContact O-CD1 3.43Å; L783-L952 HydrophobicContact CD1-CB 3.95Å; L783-L952 HydrophobicContact CD1-CD1 4.14Å; L783-L952 HydrophobicContact CD1-CG 4.49Å; F813-L952 HydrophobicContact CZ-CD2 4.16Å; V947-L952 HydrophobicContact CG1-CD2 3.79Å; P948-L952 WeakPolarHBondContact O-CB 3.39Å; P948-L952 PolarHBondContact O-N 3.42Å; M949-L952 HydrophobicContact SD-CD2 4.19Å; V950-L952 VanDerWaalsContact C-N 3.33Å; V950-L952 PolarHBondContact O-N 3Å; L952-W954 VanDerWaalsContact C-N 3.3Å; L952-W954 PolarHBondContact O-N 3.14Å; L952-Q955 PolarHBondContact O-N 3.05Å; L952-L956 HydrophobicContact CD1-CD1 4.02Å; L952-L956 HydrophobicContact CD1-CD2 4.5Å; L952-L956 HydrophobicContact CD1-CG 4.03Å; L952-L956 HydrophobicContact CG-CD1 3.91Å; L952-L956 HydrophobicContact CG-CG 4.4Å; L952-L956 VanDerWaalsContact O-CG 3.28Å; L952-L956 WeakPolarHBondContact O-CG 3.31Å; L952-L956 PolarHBondContact O-N 3.26Å
953S97.2Very high92.8Very high0 Ų033 Ų330%015%0.152CC..Hα-helixtrans-58.8-41.4176.9-59.90000112.2F928 M949 V950 H951 A957 V974F928-S953 WeakPolarHBondContact CZ-OG 3.3Å; M949-S953 WeakPolarHBondContact O-CB 3.31Å; M949-S953 PolarHBondContact O-N 2.94Å; M949-S953 VanDerWaalsContact O-N 3.08Å; M949-S953 PolarHBondContact O-OG 3.44Å; V950-S953 WeakPolarHBondContact O-CB 3.29Å; V950-S953 PolarHBondContact O-N 2.93Å; H951-S953 VanDerWaalsContact C-N 3.33Å; H951-S953 PolarHBondContact O-N 3.24Å; S953-A957 WeakPolarHBondContact O-CB 3.42Å; S953-A957 PolarHBondContact O-N 3.36Å; S953-V974 WeakPolarHBondContact OG-CG1 3.43Å
954W97.3Very high92.7Very high0 Ų033.2 Ų33.20%016%0.156CC..Hα-helixtrans-69.6-32.5176.4-78.1106.2000113.8V950 H951 L952 R958 L975 S978 L979 F1019 L1060 V1063V950-W954 VanDerWaalsContact O-CD1 3.24Å; V950-W954 PolarHBondContact O-N 3.49Å; V950-W954 VanDerWaalsContact O-N 3.1Å; H951-W954 PolarHBondContact O-N 2.9Å; H951-W954 VanDerWaalsContact O-N 3.15Å; L952-W954 VanDerWaalsContact C-N 3.3Å; L952-W954 PolarHBondContact O-N 3.14Å; W954-R958 WeakPolarHBondContact O-CG 3.16Å; W954-R958 PolarHBondContact O-N 2.96Å; W954-L975 HydrophobicContact CD2-CD2 3.51Å; W954-L975 HydrophobicContact CE3-CD2 3.69Å; W954-L975 HydrophobicContact CG-CD2 3.88Å; W954-L975 HydrophobicContact CH2-CB 4.5Å; W954-L975 HydrophobicContact CH2-CD2 4.35Å; W954-L975 HydrophobicContact CZ2-CB 4.45Å; W954-L975 HydrophobicContact CZ2-CD2 4.21Å; W954-L975 HydrophobicContact CZ3-CD2 4.1Å; W954-S978 PolarHBondContact NE1-OG 3.15Å; W954-L979 HydrophobicContact CH2-CB 4.36Å; W954-L979 HydrophobicContact CH2-CD1 4.46Å; W954-L979 HydrophobicContact CZ2-CB 4.2Å; W954-F1019 HydrophobicContact CB-CE2 4.28Å; W954-F1019 HydrophobicContact CB-CZ 4.15Å; W954-F1019 AromaticContact CD1-CE1 3.44Å; W954-F1019 VanDerWaalsContact CD1-CE1 3.44Å; W954-F1019 AromaticContact CD1-CE2 3.59Å; W954-F1019 AromaticContact CD1-CZ 3.1Å; W954-F1019 HydrophobicContact CD2-CZ 4.19Å; W954-F1019 HydrophobicContact CG-CE1 4.23Å; W954-F1019 HydrophobicContact CG-CE2 4.09Å; W954-F1019 AromaticContact CG-CZ 3.57Å; W954-F1019 HydrophobicContact CG-CZ 3.57Å; W954-F1019 AromaticContact NE1-CE1 3.31Å; W954-F1019 VanDerWaalsContact NE1-CE1 3.31Å; W954-F1019 AromaticContact NE1-CZ 3.48Å; W954-L1060 HydrophobicContact CD2-CD2 4.04Å; W954-L1060 HydrophobicContact CE3-CD2 3.88Å; W954-L1060 HydrophobicContact CH2-CB 3.76Å; W954-L1060 HydrophobicContact CH2-CD2 4.2Å; W954-L1060 HydrophobicContact CH2-CG 4.47Å; W954-L1060 WeakPolarHBondContact CH2-O 3.28Å; W954-L1060 HydrophobicContact CZ2-CB 4.32Å; W954-L1060 HydrophobicContact CZ2-CD2 4.34Å; W954-L1060 HydrophobicContact CZ3-CB 4.02Å; W954-L1060 HydrophobicContact CZ3-CD2 3.98Å; W954-L1060 VanDerWaalsContact CZ3-O 3.23Å; W954-L1060 WeakPolarHBondContact CZ3-O 3.26Å; W954-V1063 HydrophobicContact CE3-CB 4.37Å; W954-V1063 HydrophobicContact CE3-CG1 3.83Å; W954-V1063 HydrophobicContact CZ3-CB 4.13Å; W954-V1063 HydrophobicContact CZ3-CG1 3.95Å
955Q94.6Very high92.7Very high24 Ų2435.6 Ų35.611%0.11217%0.168CC..Hα-helixtrans-71.5-43.7173.1-63.1-57-26.600111.8H782 H951 L952 A957 R958 N959H782-Q955 WeakPolarHBondContact O-CB 3.39Å; H951-Q955 PolarHBondContact CE1-NE2 3.36Å; H951-Q955 WeakPolarHBondContact O-CG 3.25Å; H951-Q955 PolarHBondContact O-N 2.9Å; L952-Q955 PolarHBondContact O-N 3.05Å; Q955-A957 PolarHBondContact O-N 3.44Å; Q955-R958 PolarHBondContact O-N 3.45Å; Q955-N959 WeakPolarHBondContact O-CB 3.38Å; Q955-N959 PolarHBondContact O-N 3.33Å; Q955-N959 PolarHBondContact O-ND2 2.97Å
956L94.1Very high92.6Very high0 Ų038.1 Ų38.10%019%0.186CC..Hα-helixtrans-57.6-38.5174.1-67.6167.3000111.3L779 H782 L923 F928 L952 R958 N959 V960 F962 I971L779-L956 HydrophobicContact CD2-CD1 3.5Å; L779-L956 HydrophobicContact CD2-CD2 3.91Å; L779-L956 HydrophobicContact CD2-CG 4.37Å; H782-L956 HydrophobicContact CB-CD2 3.8Å; H782-L956 HydrophobicContact CB-CG 4.5Å; L923-L956 HydrophobicContact CD2-CD2 4.44Å; F928-L956 HydrophobicContact CE2-CD1 4.31Å; L952-L956 HydrophobicContact CD1-CD1 4.02Å; L952-L956 HydrophobicContact CD1-CD2 4.5Å; L952-L956 HydrophobicContact CD1-CG 4.03Å; L952-L956 HydrophobicContact CG-CD1 3.91Å; L952-L956 HydrophobicContact CG-CG 4.4Å; L952-L956 VanDerWaalsContact O-CG 3.28Å; L952-L956 WeakPolarHBondContact O-CG 3.31Å; L952-L956 PolarHBondContact O-N 3.26Å; L956-R958 VanDerWaalsContact C-N 3.3Å; L956-R958 PolarHBondContact O-N 3.14Å; L956-N959 PolarHBondContact O-N 2.86Å; L956-V960 HydrophobicContact CD2-CG2 3.97Å; L956-V960 WeakPolarHBondContact O-CB 3.49Å; L956-V960 PolarHBondContact O-N 3.02Å; L956-F962 HydrophobicContact CB-CE2 4.29Å; L956-F962 HydrophobicContact CB-CZ 4.12Å; L956-F962 HydrophobicContact CD2-CZ 4.35Å; L956-I971 HydrophobicContact CB-CD1 4.36Å; L956-I971 HydrophobicContact CD1-CD1 4.12Å
957A94.8Very high92.5Very high12 Ų1235.9 Ų35.910%0.09917%0.174CC..Hα-helixtrans-66.1-27.6176.600000114.6S953 Q955 L975 V1063 F1067S953-A957 WeakPolarHBondContact O-CB 3.42Å; S953-A957 PolarHBondContact O-N 3.36Å; Q955-A957 PolarHBondContact O-N 3.44Å; A957-L975 HydrophobicContact CB-CD1 3.62Å; A957-L975 HydrophobicContact CB-CD2 3.97Å; A957-L975 HydrophobicContact CB-CG 4.42Å; A957-V1063 HydrophobicContact CB-CG1 3.87Å; A957-F1067 VanDerWaalsContact CA-CD2 3.47Å; A957-F1067 HydrophobicContact CB-CB 4.4Å; A957-F1067 HydrophobicContact CB-CD2 3.78Å; A957-F1067 HydrophobicContact CB-CE2 4.2Å; A957-F1067 HydrophobicContact CB-CG 4.06Å
958R92.4Very high92.4Very high86 Ų8637.1 Ų37.133%0.32518%0.18SC..Hα-helixtrans-83.4-40.7175.1-69.1170.4-179.1-177.1-0.2112.1W954 Q955 L956 V1063W954-R958 WeakPolarHBondContact O-CG 3.16Å; W954-R958 PolarHBondContact O-N 2.96Å; Q955-R958 PolarHBondContact O-N 3.45Å; L956-R958 VanDerWaalsContact C-N 3.3Å; L956-R958 PolarHBondContact O-N 3.14Å; R958-V1063 HydrophobicContact CG-CB 4.38Å; R958-V1063 HydrophobicContact CG-CG1 3.65Å; R958-V1063 HydrophobicContact CG-CG2 3.74Å
959N88Confident92.3Very high94 Ų9439.7 Ų39.750%0.50319%0.192SC..Hα-helixtrans-104-22.8-160.5-57.1-17000113.6Q955 L956Q955-N959 WeakPolarHBondContact O-CB 3.38Å; Q955-N959 PolarHBondContact O-N 3.33Å; Q955-N959 PolarHBondContact O-ND2 2.97Å; L956-N959 PolarHBondContact O-N 2.86Å
960V87.6Confident92.2Very high23 Ų2342 Ų4214%0.13920%0.204CC..  trans-122131.5-169.3-176.10000112.1H782 L923 L956 F962H782-V960 WeakPolarHBondContact CE1-CG2 3.25Å; L923-V960 HydrophobicContact CD1-CG1 4.34Å; L956-V960 HydrophobicContact CD2-CG2 3.97Å; L956-V960 WeakPolarHBondContact O-CB 3.49Å; L956-V960 PolarHBondContact O-N 3.02Å; V960-F962 HydrophobicContact CB-CD2 4.32Å; V960-F962 HydrophobicContact CB-CE2 3.58Å; V960-F962 HydrophobicContact CB-CZ 3.77Å; V960-F962 HydrophobicContact CG1-CD1 4.38Å; V960-F962 HydrophobicContact CG1-CD2 4.04Å; V960-F962 HydrophobicContact CG1-CE1 3.93Å; V960-F962 HydrophobicContact CG1-CE2 3.57Å; V960-F962 HydrophobicContact CG1-CG 4.43Å; V960-F962 HydrophobicContact CG1-CZ 3.5Å; V960-F962 WeakPolarHBondContact O-CD2 3.39Å
961R86.1Confident92.1Very high225 Ų22541.9 Ų41.985%0.84920%0.203SC*.  trans-97.2108.5173.4-68.4-175.3-178.2-1770.9110.1V1070R961-V1070 HydrophobicContact CB-CG2 3.94Å
962F84.8Confident92.1Very high8 Ų842.5 Ų42.54%0.03521%0.205CC..  trans-84.8144.6-175.5-67.6-91000112.5L923 L956 V960 L967 H968 I971 F1067 V1070L923-F962 HydrophobicContact CD2-CE1 4.2Å; L956-F962 HydrophobicContact CB-CE2 4.29Å; L956-F962 HydrophobicContact CB-CZ 4.12Å; L956-F962 HydrophobicContact CD2-CZ 4.35Å; V960-F962 HydrophobicContact CB-CD2 4.32Å; V960-F962 HydrophobicContact CB-CE2 3.58Å; V960-F962 HydrophobicContact CB-CZ 3.77Å; V960-F962 HydrophobicContact CG1-CD1 4.38Å; V960-F962 HydrophobicContact CG1-CD2 4.04Å; V960-F962 HydrophobicContact CG1-CE1 3.93Å; V960-F962 HydrophobicContact CG1-CE2 3.57Å; V960-F962 HydrophobicContact CG1-CG 4.43Å; V960-F962 HydrophobicContact CG1-CZ 3.5Å; V960-F962 WeakPolarHBondContact O-CD2 3.39Å; F962-L967 HydrophobicContact CD1-CB 4.49Å; F962-L967 HydrophobicContact CD1-CD2 3.84Å; F962-L967 HydrophobicContact CD1-CG 3.9Å; F962-L967 HydrophobicContact CE1-CD2 3.56Å; F962-L967 HydrophobicContact CE1-CG 3.78Å; F962-H968 HydrophobicContact CB-CB 4.05Å; F962-I971 HydrophobicContact CD1-CD1 4.35Å; F962-I971 HydrophobicContact CD2-CD1 4.45Å; F962-I971 HydrophobicContact CE1-CD1 3.66Å; F962-I971 HydrophobicContact CE2-CD1 3.76Å; F962-I971 HydrophobicContact CZ-CD1 3.32Å; F962-F1067 AromaticContact CD2-CE2 3.48Å; F962-F1067 HydrophobicContact CD2-CE2 3.48Å; F962-F1067 VanDerWaalsContact CD2-CE2 3.48Å; F962-F1067 AromaticContact CD2-CZ 3.62Å; F962-F1067 HydrophobicContact CD2-CZ 3.62Å; F962-F1067 AromaticContact CE2-CE2 3.67Å; F962-F1067 HydrophobicContact CE2-CE2 3.67Å; F962-F1067 AromaticContact CE2-CZ 3.88Å; F962-F1067 HydrophobicContact CE2-CZ 3.88Å; F962-F1067 HydrophobicContact CG-CZ 4.49Å; F962-V1070 WeakPolarHBondContact O-CB 3.19Å; F962-V1070 PolarHBondContact O-N 3.07Å
963S82.9Confident92Very high43 Ų4345.2 Ų45.230%0.30122%0.217SC..  trans-126.7-8.5172.565.80000114.2K1072S963-K1072 WeakPolarHBondContact OG-CE 3.35Å
964D86.3Confident92Very high59 Ų5945.3 Ų45.332%0.31622%0.218SC..  trans-79.5124157.517134.9000108.8S966 L967 H968D964-S966 VanDerWaalsContact C-N 3.3Å; D964-S966 VanDerWaalsContact CG-N 3.34Å; D964-S966 WeakPolarHBondContact OD1-CB 3.2Å; D964-S966 PolarHBondContact OD1-N 2.92Å; D964-S966 PolarHBondContact OD1-OG 3.12Å; D964-S966 WeakPolarHBondContact OD2-CB 3.47Å; D964-S966 PolarHBondContact OD2-N 3.31Å; D964-L967 HydrophobicContact CB-CB 4.4Å; D964-L967 VanDerWaalsContact OD2-CB 3.23Å; D964-L967 WeakPolarHBondContact OD2-CB 3.28Å; D964-L967 PolarHBondContact OD2-N 3.44Å; D964-H968 WeakPolarHBondContact O-CB 3.31Å; D964-H968 PolarHBondContact O-N 3.24Å
965Q91.3Very high92Very high112 Ų11245.3 Ų45.352%0.52322%0.218SC..Hα-helixtrans-64.8-36.2174.8179.8175.7-18.600111.5H968 E969 L1069Q965-H968 PolarHBondContact O-N 3.45Å; Q965-E969 HydrophobicContact CG-CG 4.25Å; Q965-E969 WeakPolarHBondContact CG-OE1 3.44Å; Q965-E969 PolarHBondContact NE2-OE1 3.44Å; Q965-E969 WeakPolarHBondContact O-CB 3.3Å; Q965-E969 WeakPolarHBondContact O-CG 3.4Å; Q965-E969 PolarHBondContact O-N 2.92Å; Q965-L1069 HydrophobicContact CB-CD2 3.95Å; Q965-L1069 HydrophobicContact CG-CD2 4.08Å
966S93.4Very high92Very high60 Ų6044.2 Ų44.242%0.4221%0.213SC..Hα-helixtrans-65.6-50.3-173.2-32.40000111.2D964 E969 L970D964-S966 VanDerWaalsContact C-N 3.3Å; D964-S966 VanDerWaalsContact CG-N 3.34Å; D964-S966 WeakPolarHBondContact OD1-CB 3.2Å; D964-S966 PolarHBondContact OD1-N 2.92Å; D964-S966 PolarHBondContact OD1-OG 3.12Å; D964-S966 WeakPolarHBondContact OD2-CB 3.47Å; D964-S966 PolarHBondContact OD2-N 3.31Å; S966-E969 PolarHBondContact O-N 3.45Å; S966-L970 VanDerWaalsContact O-CG 3.31Å; S966-L970 WeakPolarHBondContact O-CG 3.44Å; S966-L970 PolarHBondContact O-N 3.4Å
967L93Very high92.1Very high1 Ų145 Ų451%0.00522%0.216CC..Hα-helixtrans-68.8-39176-177.555.5000112.4L923 F928 F962 D964 E969 L970 I971L923-L967 VanDerWaalsContact C-CD2 3.5Å; L923-L967 HydrophobicContact CB-CD2 4.26Å; F928-L967 HydrophobicContact CB-CD1 3.45Å; F928-L967 VanDerWaalsContact CB-CD1 3.45Å; F928-L967 HydrophobicContact CD1-CD1 4.23Å; F928-L967 HydrophobicContact CD2-CD1 4.15Å; F928-L967 HydrophobicContact CG-CD1 3.69Å; F962-L967 HydrophobicContact CD1-CB 4.49Å; F962-L967 HydrophobicContact CD1-CD2 3.84Å; F962-L967 HydrophobicContact CD1-CG 3.9Å; F962-L967 HydrophobicContact CE1-CD2 3.56Å; F962-L967 HydrophobicContact CE1-CG 3.78Å; D964-L967 HydrophobicContact CB-CB 4.4Å; D964-L967 VanDerWaalsContact OD2-CB 3.23Å; D964-L967 WeakPolarHBondContact OD2-CB 3.28Å; D964-L967 PolarHBondContact OD2-N 3.44Å; L967-E969 PolarHBondContact O-N 3.21Å; L967-L970 PolarHBondContact O-N 2.9Å; L967-I971 HydrophobicContact CD1-CD1 3.85Å; L967-I971 HydrophobicContact CD1-CG1 4.11Å; L967-I971 HydrophobicContact CG-CD1 3.95Å; L967-I971 WeakPolarHBondContact O-CG1 3.44Å; L967-I971 PolarHBondContact O-N 2.97Å
968H93.7Very high92.1Very high27 Ų2744.6 Ų44.613%0.12521%0.212CC..Hα-helixtrans-58-47.8172.5173.2-97.2000111.4F962 D964 Q965 I971 R972 F1067 T1068 L1069F962-H968 HydrophobicContact CB-CB 4.05Å; D964-H968 WeakPolarHBondContact O-CB 3.31Å; D964-H968 PolarHBondContact O-N 3.24Å; Q965-H968 PolarHBondContact O-N 3.45Å; H968-I971 PolarHBondContact O-N 3.47Å; H968-R972 WeakPolarHBondContact CE1-CD 3.48Å; H968-R972 VanDerWaalsContact O-CB 3.3Å; H968-R972 WeakPolarHBondContact O-CB 3.2Å; H968-R972 PolarHBondContact O-N 3.31Å; H968-F1067 AromaticContact CD2-CD1 3.87Å; H968-F1067 AromaticContact CD2-CE1 3.38Å; H968-F1067 WeakPolarHBondContact CD2-CE1 3.3Å; H968-F1067 AromaticContact CD2-CZ 3.64Å; H968-F1067 AromaticContact NE2-CD1 3.19Å; H968-F1067 WeakPolarHBondContact NE2-CD1 3.44Å; H968-F1067 AromaticContact NE2-CE1 3.54Å; H968-F1067 AromaticContact NE2-CG 3.65Å; H968-F1067 PolarHBondContact NE2-O 3.35Å; H968-T1068 VanDerWaalsContact NE2-C 3.32Å; H968-T1068 WeakPolarHBondContact NE2-CA 3.41Å; H968-T1068 PolarHBondContact NE2-N 3.1Å; H968-T1068 VanDerWaalsContact NE2-N 3.13Å; H968-L1069 HydrophobicContact CB-CD1 3.89Å
969E94.5Very high92.3Very high54 Ų5440.5 Ų40.525%0.25220%0.197SC..Hα-helixtrans-63.4-43177.1-79.5-170.6-148.600112.3L558 Q965 S966 L967 R972 K973L558-E969 HydrophobicContact CD1-CB 4.31Å; L558-E969 HydrophobicContact CD1-CG 3.86Å; Q965-E969 HydrophobicContact CG-CG 4.25Å; Q965-E969 WeakPolarHBondContact CG-OE1 3.44Å; Q965-E969 PolarHBondContact NE2-OE1 3.44Å; Q965-E969 WeakPolarHBondContact O-CB 3.3Å; Q965-E969 WeakPolarHBondContact O-CG 3.4Å; Q965-E969 PolarHBondContact O-N 2.92Å; S966-E969 PolarHBondContact O-N 3.45Å; L967-E969 PolarHBondContact O-N 3.21Å; E969-R972 PolarHBondContact O-N 3.44Å; E969-K973 VanDerWaalsContact O-CB 3.28Å; E969-K973 WeakPolarHBondContact O-CB 3.37Å; E969-K973 VanDerWaalsContact O-CD 3.26Å; E969-K973 WeakPolarHBondContact O-CD 3.1Å; E969-K973 WeakPolarHBondContact O-CG 3.34Å; E969-K973 PolarHBondContact O-N 3.3Å; E969-K973 IonicContact OE2-NZ 2.74Å; E969-K973 PolarHBondContact OE2-NZ 3.3Å
970L94.7Very high92.6Very high48 Ų4836 Ų3625%0.25117%0.173SC..Hα-helixtrans-61-45.5177.6-75.3169.7000111.9F928 S966 L967 K973 V974F928-L970 HydrophobicContact CD1-CB 3.83Å; F928-L970 HydrophobicContact CD1-CD1 4.44Å; F928-L970 HydrophobicContact CE1-CB 4.03Å; S966-L970 VanDerWaalsContact O-CG 3.31Å; S966-L970 WeakPolarHBondContact O-CG 3.44Å; S966-L970 PolarHBondContact O-N 3.4Å; L967-L970 PolarHBondContact O-N 2.9Å; L970-K973 WeakPolarHBondContact O-CB 3.11Å; L970-K973 PolarHBondContact O-N 3.47Å; L970-V974 PolarHBondContact O-N 2.68Å; L970-V974 VanDerWaalsContact O-N 3.16Å
971I95.2Very high92.9Very high0 Ų036.8 Ų36.80%018%0.175CC..Hα-helixtrans-65.3-47.3176.2-66167000109.9F928 L956 F962 L967 H968 K973 V974 L975 F1067F928-I971 HydrophobicContact CD2-CG1 4.23Å; F928-I971 HydrophobicContact CE1-CG1 4.1Å; F928-I971 HydrophobicContact CE2-CG1 3.78Å; F928-I971 HydrophobicContact CZ-CG1 3.7Å; L956-I971 HydrophobicContact CB-CD1 4.36Å; L956-I971 HydrophobicContact CD1-CD1 4.12Å; F962-I971 HydrophobicContact CD1-CD1 4.35Å; F962-I971 HydrophobicContact CD2-CD1 4.45Å; F962-I971 HydrophobicContact CE1-CD1 3.66Å; F962-I971 HydrophobicContact CE2-CD1 3.76Å; F962-I971 HydrophobicContact CZ-CD1 3.32Å; L967-I971 HydrophobicContact CD1-CD1 3.85Å; L967-I971 HydrophobicContact CD1-CG1 4.11Å; L967-I971 HydrophobicContact CG-CD1 3.95Å; L967-I971 WeakPolarHBondContact O-CG1 3.44Å; L967-I971 PolarHBondContact O-N 2.97Å; H968-I971 PolarHBondContact O-N 3.47Å; I971-K973 VanDerWaalsContact C-N 3.28Å; I971-K973 PolarHBondContact O-N 2.76Å; I971-V974 WeakPolarHBondContact O-CA 3.42Å; I971-V974 WeakPolarHBondContact O-CB 3.22Å; I971-V974 PolarHBondContact O-N 3.15Å; I971-L975 HydrophobicContact CG2-CD1 4.16Å; I971-L975 HydrophobicContact CG2-CG 4.21Å; I971-L975 WeakPolarHBondContact O-CG 3.03Å; I971-L975 PolarHBondContact O-N 3.49Å; I971-F1067 HydrophobicContact CB-CE1 3.96Å; I971-F1067 HydrophobicContact CB-CZ 3.89Å; I971-F1067 HydrophobicContact CD1-CZ 4.42Å; I971-F1067 HydrophobicContact CG2-CE1 3.67Å; I971-F1067 HydrophobicContact CG2-CE2 4.39Å; I971-F1067 HydrophobicContact CG2-CZ 3.55Å
972R95.4Very high93.3Very high16 Ų1626.3 Ų26.36%0.0614%0.136CC..Hα-helixtrans-61.7-34.9179.4-164.6168.8177.685.111.8112.2L558 H968 E969 V974 L975 I976 Y1064 F1067L558-R972 PolarHBondContact O-NE 2.99Å; H968-R972 WeakPolarHBondContact CE1-CD 3.48Å; H968-R972 VanDerWaalsContact O-CB 3.3Å; H968-R972 WeakPolarHBondContact O-CB 3.2Å; H968-R972 PolarHBondContact O-N 3.31Å; E969-R972 PolarHBondContact O-N 3.44Å; R972-V974 VanDerWaalsContact C-N 3.34Å; R972-V974 PolarHBondContact O-N 2.66Å; R972-L975 PolarHBondContact O-N 3.19Å; R972-I976 WeakPolarHBondContact O-CG2 3.14Å; R972-I976 PolarHBondContact O-N 2.82Å; R972-Y1064 HydrophobicContact CG-CE2 3.83Å; R972-Y1064 PolarHBondContact NH1-O 2.77Å; R972-Y1064 VanDerWaalsContact NH2-CE1 3.32Å; R972-Y1064 PolarHBondContact NH2-OH 3.09Å; R972-F1067 HydrophobicContact CB-CD1 4.1Å; R972-F1067 HydrophobicContact CB-CE1 4.06Å; R972-F1067 HydrophobicContact CG-CD1 4.37Å; R972-F1067 PolarHBondContact NH1-O 3.15Å
973K95.4Very high93.7Very high57 Ų5726.8 Ų26.825%0.24814%0.138CC..Hα-helixtrans-62-34.9169.9-73.6159.8-166.51640112.1L554 L558 E969 L970 I971 I976 R977L554-K973 HydrophobicContact CD1-CG 4.06Å; L558-K973 HydrophobicContact CD2-CG 3.59Å; E969-K973 VanDerWaalsContact O-CB 3.28Å; E969-K973 WeakPolarHBondContact O-CB 3.37Å; E969-K973 VanDerWaalsContact O-CD 3.26Å; E969-K973 WeakPolarHBondContact O-CD 3.1Å; E969-K973 WeakPolarHBondContact O-CG 3.34Å; E969-K973 PolarHBondContact O-N 3.3Å; E969-K973 IonicContact OE2-NZ 2.74Å; E969-K973 PolarHBondContact OE2-NZ 3.3Å; L970-K973 WeakPolarHBondContact O-CB 3.11Å; L970-K973 PolarHBondContact O-N 3.47Å; I971-K973 VanDerWaalsContact C-N 3.28Å; I971-K973 PolarHBondContact O-N 2.76Å; K973-I976 WeakPolarHBondContact O-CG2 3.41Å; K973-R977 VanDerWaalsContact O-CG 3.29Å; K973-R977 WeakPolarHBondContact O-CG 3.5Å; K973-R977 PolarHBondContact O-NH1 3.02Å
974V96Very high94.1Very high3 Ų325.2 Ų25.22%0.01813%0.126CC..Hα-helixtrans-72.6-47.3172.6172.80000111.5L550 F928 S953 L970 I971 R972 I976 R977 S978L550-V974 HydrophobicContact CB-CG2 4.48Å; L550-V974 HydrophobicContact CD2-CG1 3.75Å; L550-V974 HydrophobicContact CD2-CG2 4.1Å; F928-V974 HydrophobicContact CE1-CG2 4.16Å; F928-V974 HydrophobicContact CZ-CG2 4.17Å; S953-V974 WeakPolarHBondContact OG-CG1 3.43Å; L970-V974 PolarHBondContact O-N 2.68Å; L970-V974 VanDerWaalsContact O-N 3.16Å; I971-V974 WeakPolarHBondContact O-CA 3.42Å; I971-V974 WeakPolarHBondContact O-CB 3.22Å; I971-V974 PolarHBondContact O-N 3.15Å; R972-V974 VanDerWaalsContact C-N 3.34Å; R972-V974 PolarHBondContact O-N 2.66Å; V974-I976 PolarHBondContact O-N 3.42Å; V974-R977 PolarHBondContact O-N 3.24Å; V974-S978 WeakPolarHBondContact O-CB 3.33Å; V974-S978 PolarHBondContact O-N 3.02Å
975L96.7Very high94.4Very high0 Ų022.6 Ų22.60%011%0.113CC..Hα-helixtrans-58.4-47.9-177.9-61.1174000112.3W954 A957 I971 R972 R977 S978 L979 Y1064 F1067W954-L975 HydrophobicContact CD2-CD2 3.51Å; W954-L975 HydrophobicContact CE3-CD2 3.69Å; W954-L975 HydrophobicContact CG-CD2 3.88Å; W954-L975 HydrophobicContact CH2-CB 4.5Å; W954-L975 HydrophobicContact CH2-CD2 4.35Å; W954-L975 HydrophobicContact CZ2-CB 4.45Å; W954-L975 HydrophobicContact CZ2-CD2 4.21Å; W954-L975 HydrophobicContact CZ3-CD2 4.1Å; A957-L975 HydrophobicContact CB-CD1 3.62Å; A957-L975 HydrophobicContact CB-CD2 3.97Å; A957-L975 HydrophobicContact CB-CG 4.42Å; I971-L975 HydrophobicContact CG2-CD1 4.16Å; I971-L975 HydrophobicContact CG2-CG 4.21Å; I971-L975 WeakPolarHBondContact O-CG 3.03Å; I971-L975 PolarHBondContact O-N 3.49Å; R972-L975 PolarHBondContact O-N 3.19Å; L975-R977 VanDerWaalsContact C-N 3.34Å; L975-R977 PolarHBondContact O-N 3.41Å; L975-S978 PolarHBondContact O-N 2.96Å; L975-S978 VanDerWaalsContact O-N 3.16Å; L975-L979 WeakPolarHBondContact O-CB 3.47Å; L975-L979 PolarHBondContact O-N 3.3Å; L975-Y1064 HydrophobicContact CB-CD2 3.72Å; L975-Y1064 HydrophobicContact CB-CE2 4.24Å; L975-Y1064 HydrophobicContact CD1-CD2 4.24Å; L975-F1067 HydrophobicContact CD1-CB 4.24Å; L975-F1067 HydrophobicContact CD1-CD1 3.56Å; L975-F1067 HydrophobicContact CD1-CE1 4.09Å; L975-F1067 HydrophobicContact CD1-CG 3.92Å
976I96.1Very high94.4Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-62-40.3-176.6-163.4178.5000112L554 V556 V565 V580 R972 K973 V974 A980 Y1064L554-I976 HydrophobicContact CD1-CG2 3.75Å; L554-I976 HydrophobicContact CD2-CG2 3.81Å; L554-I976 HydrophobicContact CG-CG2 4.47Å; V556-I976 HydrophobicContact CG2-CD1 3.52Å; V565-I976 HydrophobicContact CG2-CD1 4.04Å; V565-I976 HydrophobicContact CG2-CG1 3.6Å; V580-I976 HydrophobicContact CG1-CG1 4.26Å; R972-I976 WeakPolarHBondContact O-CG2 3.14Å; R972-I976 PolarHBondContact O-N 2.82Å; K973-I976 WeakPolarHBondContact O-CG2 3.41Å; V974-I976 PolarHBondContact O-N 3.42Å; I976-A980 WeakPolarHBondContact O-CB 3.32Å; I976-A980 PolarHBondContact O-N 2.85Å; I976-A980 VanDerWaalsContact O-N 3.11Å; I976-Y1064 HydrophobicContact CB-CE2 3.86Å; I976-Y1064 WeakPolarHBondContact CD1-OH 3.35Å; I976-Y1064 HydrophobicContact CG1-CE2 4.31Å
977R95Very high94.3Very high17 Ų1715.6 Ų15.66%0.0647%0.074CC..Hα-helixtrans-67.7-43.5174.7-60.4177.7-165.9120.6-25.7111F548 S549 L550 S551 A552 L554 Y581 K973 V974 L975 A980 H981F548-R977 HydrophobicContact CE2-CB 3.69Å; F548-R977 WeakPolarHBondContact CE2-O 3.28Å; F548-R977 HydrophobicContact CZ-CB 3.93Å; S549-R977 WeakPolarHBondContact O-CD 3.27Å; L550-R977 PolarHBondContact O-NH1 3.47Å; L550-R977 PolarHBondContact O-NH2 2.94Å; S551-R977 VanDerWaalsContact C-NH2 3.32Å; S551-R977 PolarHBondContact O-NH2 3.02Å; A552-R977 PolarHBondContact O-NE 3.41Å; A552-R977 PolarHBondContact O-NH2 3.32Å; L554-R977 HydrophobicContact CD2-CG 3.59Å; Y581-R977 HydrophobicContact CD1-CB 3.95Å; Y581-R977 HydrophobicContact CD1-CG 3.95Å; Y581-R977 HydrophobicContact CE1-CB 4.19Å; Y581-R977 HydrophobicContact CG-CB 4.42Å; Y581-R977 HydrophobicContact CG-CG 4.05Å; K973-R977 VanDerWaalsContact O-CG 3.29Å; K973-R977 WeakPolarHBondContact O-CG 3.5Å; K973-R977 PolarHBondContact O-NH1 3.02Å; V974-R977 PolarHBondContact O-N 3.24Å; L975-R977 VanDerWaalsContact C-N 3.34Å; L975-R977 PolarHBondContact O-N 3.41Å; R977-A980 PolarHBondContact O-N 3.37Å; R977-H981 WeakPolarHBondContact O-CB 3.43Å; R977-H981 PolarHBondContact O-N 3.47Å
978S95.4Very high94.2Very high3 Ų317.6 Ų17.62%0.0218%0.082CC..Hα-helixtrans-63.5-41.6179.8178.90000112.1V950 W954 V974 L975 H981 C982V950-S978 WeakPolarHBondContact CG1-OG 3.36Å; W954-S978 PolarHBondContact NE1-OG 3.15Å; V974-S978 WeakPolarHBondContact O-CB 3.33Å; V974-S978 PolarHBondContact O-N 3.02Å; L975-S978 PolarHBondContact O-N 2.96Å; L975-S978 VanDerWaalsContact O-N 3.16Å; S978-H981 PolarHBondContact O-N 3.41Å; S978-C982 WeakPolarHBondContact O-CB 3.47Å; S978-C982 PolarHBondContact O-N 3.09Å; S978-C982 PolarHBondContact O-SG 3.47Å
979L96.1Very high94Very high0 Ų016.3 Ų16.30%08%0.076CC..Hα-helixtrans-63.4-47.7175.5-176.365.5000111.1V565 I566 W954 L975 C982 Q983 M1057 L1060 I1061 Y1064V565-L979 HydrophobicContact CB-CD2 4.18Å; V565-L979 HydrophobicContact CG1-CB 4.44Å; V565-L979 HydrophobicContact CG1-CD2 4.13Å; V565-L979 HydrophobicContact CG1-CG 4.2Å; I566-L979 HydrophobicContact CD1-CD1 4.3Å; I566-L979 HydrophobicContact CD1-CG 4.16Å; W954-L979 HydrophobicContact CH2-CB 4.36Å; W954-L979 HydrophobicContact CH2-CD1 4.46Å; W954-L979 HydrophobicContact CZ2-CB 4.2Å; L975-L979 WeakPolarHBondContact O-CB 3.47Å; L975-L979 PolarHBondContact O-N 3.3Å; L979-C982 PolarHBondContact O-N 3.06Å; L979-Q983 PolarHBondContact O-N 3.36Å; L979-Q983 VanDerWaalsContact O-N 3.07Å; L979-M1057 HydrophobicContact CD1-CE 3.78Å; L979-L1060 HydrophobicContact CD1-CB 3.82Å; L979-I1061 HydrophobicContact CD1-CG1 4.19Å; L979-I1061 HydrophobicContact CD2-CG1 4.27Å; L979-Y1064 HydrophobicContact CD2-CD1 4.28Å; L979-Y1064 HydrophobicContact CD2-CG 4.39Å
980A94.3Very high93.9Very high0 Ų015.6 Ų15.60%08%0.076CC..Hα-helixtrans-60.8-45.8175.900000112.4V565 V580 Y581 I976 R977 Q983 M984V565-A980 HydrophobicContact CG1-CB 3.8Å; V580-A980 HydrophobicContact CB-CB 3.78Å; V580-A980 HydrophobicContact CG1-CB 3.9Å; V580-A980 HydrophobicContact CG2-CB 3.82Å; Y581-A980 HydrophobicContact CD1-CB 4.26Å; Y581-A980 HydrophobicContact CE1-CB 3.9Å; I976-A980 WeakPolarHBondContact O-CB 3.32Å; I976-A980 PolarHBondContact O-N 2.85Å; I976-A980 VanDerWaalsContact O-N 3.11Å; R977-A980 PolarHBondContact O-N 3.37Å; A980-Q983 PolarHBondContact O-N 3.33Å; A980-M984 VanDerWaalsContact O-CG 3.23Å; A980-M984 WeakPolarHBondContact O-CG 3.45Å; A980-M984 PolarHBondContact O-N 3.11Å; A980-M984 VanDerWaalsContact O-SD 3.4Å
981H93.6Very high93.5Very high40 Ų4018 Ų1819%0.1859%0.086CC..Hα-helixtrans-62.2-43.8177.7-16977.5000111.8F548 Y581 R977 S978 Q983 M984 V985F548-H981 HydrophobicContact CD2-CB 3.53Å; F548-H981 AromaticContact CD2-CG 3.49Å; F548-H981 VanDerWaalsContact CD2-CG 3.49Å; F548-H981 AromaticContact CD2-ND1 3.76Å; F548-H981 HydrophobicContact CE2-CB 3.76Å; F548-H981 HydrophobicContact CG-CB 4.44Å; Y581-H981 WeakPolarHBondContact OH-CB 3.11Å; Y581-H981 PolarHBondContact OH-ND1 3Å; R977-H981 WeakPolarHBondContact O-CB 3.43Å; R977-H981 PolarHBondContact O-N 3.47Å; S978-H981 PolarHBondContact O-N 3.41Å; H981-Q983 VanDerWaalsContact C-N 3.31Å; H981-Q983 PolarHBondContact O-N 3.37Å; H981-M984 PolarHBondContact O-N 2.89Å; H981-V985 WeakPolarHBondContact O-CB 3.44Å; H981-V985 VanDerWaalsContact O-CG2 3.24Å; H981-V985 WeakPolarHBondContact O-CG2 3.41Å; H981-V985 PolarHBondContact O-N 3.05Å
982C94.5Very high93.1Very high5 Ų522.7 Ų22.73%0.03411%0.107CC..Hα-helixtrans-54.7-47.9172.8-70.60000111.2S978 L979 V985 L986 I1021 M1057S978-C982 WeakPolarHBondContact O-CB 3.47Å; S978-C982 PolarHBondContact O-N 3.09Å; S978-C982 PolarHBondContact O-SG 3.47Å; L979-C982 PolarHBondContact O-N 3.06Å; C982-V985 PolarHBondContact O-N 2.82Å; C982-L986 WeakPolarHBondContact O-CG 3.2Å; C982-L986 PolarHBondContact O-N 3Å; C982-L986 VanDerWaalsContact O-N 3.08Å; C982-I1021 HydrophobicContact CB-CD1 4.14Å; C982-I1021 VanDerWaalsContact O-CD1 3.23Å; C982-I1021 WeakPolarHBondContact O-CD1 3.48Å; C982-M1057 HydrophobicContact CB-CE 3.76Å; C982-M1057 HydrophobicContact CB-SD 3.71Å
983Q94.2Very high92.8Very high17 Ų1724.6 Ų24.68%0.07912%0.118CC..Hα-helixtrans-62.1-49179.6-171.858.646.600112.1I566 C569 L979 A980 H981 V985 L986 D987 M1057I566-Q983 HydrophobicContact CD1-CB 3.84Å; I566-Q983 HydrophobicContact CD1-CG 3.98Å; I566-Q983 HydrophobicContact CG2-CG 4.08Å; C569-Q983 HydrophobicContact CB-CB 4.15Å; C569-Q983 HydrophobicContact CB-CG 3.81Å; L979-Q983 PolarHBondContact O-N 3.36Å; L979-Q983 VanDerWaalsContact O-N 3.07Å; A980-Q983 PolarHBondContact O-N 3.33Å; H981-Q983 VanDerWaalsContact C-N 3.31Å; H981-Q983 PolarHBondContact O-N 3.37Å; Q983-V985 VanDerWaalsContact C-N 3.27Å; Q983-V985 PolarHBondContact O-N 3.43Å; Q983-L986 CarbonylContact O-C 3.55Å; Q983-L986 WeakPolarHBondContact O-CA 3.37Å; Q983-L986 WeakPolarHBondContact O-CB 3.23Å; Q983-L986 PolarHBondContact O-N 2.92Å; Q983-D987 PolarHBondContact NE2-OD1 3.49Å; Q983-D987 PolarHBondContact O-N 3.04Å; Q983-M1057 HydrophobicContact CB-CE 4.02Å
984M91.3Very high92.5Very high10 Ų1024.9 Ų24.95%0.04914%0.137CC..Hα-helixtrans-60.1-38-179.1-65.7155.762.800112.1I544 P545 C569 Y581 E583 A980 H981 D987 Y988I544-M984 WeakPolarHBondContact CD1-O 3.37Å; P545-M984 HydrophobicContact CG-CE 3.85Å; C569-M984 HydrophobicContact CB-CG 4.25Å; Y581-M984 HydrophobicContact CE1-SD 4.45Å; E583-M984 WeakPolarHBondContact OE1-CE 3.46Å; A980-M984 VanDerWaalsContact O-CG 3.23Å; A980-M984 WeakPolarHBondContact O-CG 3.45Å; A980-M984 PolarHBondContact O-N 3.11Å; A980-M984 VanDerWaalsContact O-SD 3.4Å; H981-M984 PolarHBondContact O-N 2.89Å; M984-D987 PolarHBondContact O-N 2.96Å; M984-Y988 PolarHBondContact O-N 3.29Å; M984-Y988 VanDerWaalsContact O-N 3.08Å
985V92Very high92.3Very high5 Ų526.8 Ų26.83%0.0315%0.145CC..Hα-helixtrans-66.1-37.5174.7173.20000111.8I544 H981 C982 Q983 A989 I1021 F1023 L1036I544-V985 HydrophobicContact CD1-CG2 4.25Å; H981-V985 WeakPolarHBondContact O-CB 3.44Å; H981-V985 VanDerWaalsContact O-CG2 3.24Å; H981-V985 WeakPolarHBondContact O-CG2 3.41Å; H981-V985 PolarHBondContact O-N 3.05Å; C982-V985 PolarHBondContact O-N 2.82Å; Q983-V985 VanDerWaalsContact C-N 3.27Å; Q983-V985 PolarHBondContact O-N 3.43Å; V985-A989 VanDerWaalsContact O-CB 3.26Å; V985-A989 WeakPolarHBondContact O-CB 3.32Å; V985-A989 PolarHBondContact O-N 3.45Å; V985-I1021 HydrophobicContact CB-CD1 3.94Å; V985-I1021 HydrophobicContact CG1-CB 4.36Å; V985-I1021 HydrophobicContact CG1-CD1 3.83Å; V985-I1021 HydrophobicContact CG1-CG2 3.98Å; V985-F1023 HydrophobicContact CG1-CE2 4.05Å; V985-F1023 HydrophobicContact CG1-CZ 3.69Å; V985-L1036 HydrophobicContact CG2-CD2 4.17Å
986L92.6Very high92.1Very high21 Ų2133.1 Ų33.111%0.1117%0.174CC..Hα-helixtrans-68-43.2172.3-67.5179.1000112.2C982 Q983 Y988 A989 C990 L997 I1021 M1057C982-L986 WeakPolarHBondContact O-CG 3.2Å; C982-L986 PolarHBondContact O-N 3Å; C982-L986 VanDerWaalsContact O-N 3.08Å; Q983-L986 CarbonylContact O-C 3.55Å; Q983-L986 WeakPolarHBondContact O-CA 3.37Å; Q983-L986 WeakPolarHBondContact O-CB 3.23Å; Q983-L986 PolarHBondContact O-N 2.92Å; L986-Y988 VanDerWaalsContact C-N 3.29Å; L986-Y988 PolarHBondContact O-N 3.12Å; L986-A989 PolarHBondContact O-N 2.67Å; L986-C990 WeakPolarHBondContact O-CA 3.46Å; L986-C990 VanDerWaalsContact O-CB 3.28Å; L986-C990 WeakPolarHBondContact O-CB 3.13Å; L986-C990 PolarHBondContact O-N 3.22Å; L986-L997 HydrophobicContact CD2-CD1 4.11Å; L986-L997 HydrophobicContact CD2-CD2 3.72Å; L986-L997 HydrophobicContact CD2-CG 4.49Å; L986-I1021 HydrophobicContact CD2-CD1 3.79Å; L986-I1021 HydrophobicContact CD2-CG1 4.29Å; L986-I1021 HydrophobicContact CG-CD1 3.72Å; L986-M1057 HydrophobicContact CD1-CG 3.64Å; L986-M1057 HydrophobicContact CD1-SD 4Å
987D91.1Very high91.9Very high4 Ų435.9 Ų35.92%0.02119%0.189CC..Iπ-helixtrans-58.9-42.6178.6-57.2-27.3000110.2Y542 Q983 M984 E991 K992Y542-D987 HydrophobicContact CD1-CB 3.88Å; Y542-D987 HydrophobicContact CE1-CB 4.11Å; Q983-D987 PolarHBondContact NE2-OD1 3.49Å; Q983-D987 PolarHBondContact O-N 3.04Å; M984-D987 PolarHBondContact O-N 2.96Å; D987-E991 CarbonylContact O-C 3.56Å; D987-E991 WeakPolarHBondContact O-CA 3.49Å; D987-E991 VanDerWaalsContact O-CB 3.23Å; D987-E991 WeakPolarHBondContact O-CB 3.48Å; D987-E991 PolarHBondContact O-N 3.18Å; D987-K992 PolarHBondContact O-N 3.36Å
988Y90Very high91.9Very high43 Ų4339.5 Ų39.517%0.16921%0.205CC..Iπ-helixtrans-70.3-48.8174.2-179.4-91.1000113.9Y542 I544 M984 L986 K992 L993 L1036Y542-Y988 WeakPolarHBondContact O-CD2 3.41Å; I544-Y988 HydrophobicContact CD1-CD1 4.23Å; I544-Y988 HydrophobicContact CD1-CD2 4.2Å; I544-Y988 HydrophobicContact CD1-CG 3.7Å; M984-Y988 PolarHBondContact O-N 3.29Å; M984-Y988 VanDerWaalsContact O-N 3.08Å; L986-Y988 VanDerWaalsContact C-N 3.29Å; L986-Y988 PolarHBondContact O-N 3.12Å; Y988-K992 HydrophobicContact CD2-CD 3.62Å; Y988-K992 HydrophobicContact CE2-CD 3.71Å; Y988-K992 HydrophobicContact CG-CD 4.46Å; Y988-K992 VanDerWaalsContact O-CB 3.29Å; Y988-K992 WeakPolarHBondContact O-CB 3.43Å; Y988-L993 HydrophobicContact CD1-CD1 3.98Å; Y988-L993 HydrophobicContact CE1-CD1 3.41Å; Y988-L993 VanDerWaalsContact CE1-CD1 3.41Å; Y988-L993 HydrophobicContact CE1-CG 4.23Å; Y988-L993 PolarHBondContact O-N 2.87Å; Y988-L1036 HydrophobicContact CD1-CD1 4.11Å; Y988-L1036 HydrophobicContact CE1-CD1 4.02Å
989A90.3Very high91.8Very high0 Ų043.1 Ų43.10%022%0.222CC..Iπ-helixtrans-72.1-44.9-173.800000111.6V985 L986 L993 G994 K995 L1051V985-A989 VanDerWaalsContact O-CB 3.26Å; V985-A989 WeakPolarHBondContact O-CB 3.32Å; V985-A989 PolarHBondContact O-N 3.45Å; L986-A989 PolarHBondContact O-N 2.67Å; A989-L993 CarbonylContact O-C 3.34Å; A989-L993 WeakPolarHBondContact O-CB 3.27Å; A989-G994 PolarHBondContact O-N 3.08Å; A989-K995 VanDerWaalsContact O-CB 3.28Å; A989-K995 WeakPolarHBondContact O-CB 3.47Å; A989-K995 PolarHBondContact O-N 3.5Å; A989-L1051 HydrophobicContact CB-CD1 4.44Å; A989-L1051 HydrophobicContact CB-CD2 3.66Å
990C91.4Very high91.6Very high39 Ų3947.2 Ų47.226%0.26424%0.241SC..Iπ-helixtrans-91.3-50.4-175.4-59.70000112.6L986 G994 K995L986-C990 WeakPolarHBondContact O-CA 3.46Å; L986-C990 VanDerWaalsContact O-CB 3.28Å; L986-C990 WeakPolarHBondContact O-CB 3.13Å; L986-C990 PolarHBondContact O-N 3.22Å; C990-G994 VanDerWaalsContact O-CA 3.25Å; C990-G994 WeakPolarHBondContact O-CA 3.43Å; C990-G994 PolarHBondContact O-N 3.38Å; C990-G994 VanDerWaalsContact O-N 3.16Å; C990-K995 PolarHBondContact SG-O 3.32Å
991E87.6Confident91.5Very high99 Ų9952 Ų5246%0.46327%0.27SS..Iπ-helixtrans-80.1-40.2-174.9-50.6-175.7166.900112.4Y542 K570 D987Y542-E991 HydrophobicContact CE1-CB 4.01Å; K570-E991 IonicContact NZ-OE1 3.04Å; K570-E991 PolarHBondContact NZ-OE1 2.89Å; D987-E991 CarbonylContact O-C 3.56Å; D987-E991 WeakPolarHBondContact O-CA 3.49Å; D987-E991 VanDerWaalsContact O-CB 3.23Å; D987-E991 WeakPolarHBondContact O-CB 3.48Å; D987-E991 PolarHBondContact O-N 3.18Å
992K86.9Confident91.3Very high97 Ų9751.6 Ų51.642%0.42227%0.267SS..Iπ-helixtrans-82.3-47.5177.2-166.2-161.3-149.9163.30114Y542 D987 Y988Y542-K992 HydrophobicContact CD1-CB 4.48Å; Y542-K992 HydrophobicContact CD2-CB 3.58Å; Y542-K992 HydrophobicContact CD2-CD 4.08Å; Y542-K992 HydrophobicContact CD2-CG 3.62Å; Y542-K992 HydrophobicContact CE2-CB 3.95Å; Y542-K992 HydrophobicContact CE2-CG 4.19Å; Y542-K992 HydrophobicContact CG-CB 3.85Å; Y542-K992 HydrophobicContact CG-CD 4.33Å; Y542-K992 HydrophobicContact CG-CG 4.2Å; Y542-K992 PolarHBondContact O-NZ 2.61Å; D987-K992 PolarHBondContact O-N 3.36Å; Y988-K992 HydrophobicContact CD2-CD 3.62Å; Y988-K992 HydrophobicContact CE2-CD 3.71Å; Y988-K992 HydrophobicContact CG-CD 4.46Å; Y988-K992 VanDerWaalsContact O-CB 3.29Å; Y988-K992 WeakPolarHBondContact O-CB 3.43Å
993L89Confident91Very high57 Ų5758.2 Ų58.230%0.29830%0.297SS..THydrogen-bonded Turntrans-97.1-5-174.1-67.3179.6000114.3Y988 A989 K995 L1046Y988-L993 HydrophobicContact CD1-CD1 3.98Å; Y988-L993 HydrophobicContact CE1-CD1 3.41Å; Y988-L993 VanDerWaalsContact CE1-CD1 3.41Å; Y988-L993 HydrophobicContact CE1-CG 4.23Å; Y988-L993 PolarHBondContact O-N 2.87Å; A989-L993 CarbonylContact O-C 3.34Å; A989-L993 WeakPolarHBondContact O-CB 3.27Å; L993-K995 VanDerWaalsContact C-N 3.29Å; L993-K995 PolarHBondContact O-N 2.8Å; L993-L1046 HydrophobicContact CD1-CD1 3.84Å; L993-L1046 HydrophobicContact CD1-CG 4.2Å
994G88.7Confident90.5Very high63 Ų6362.2 Ų62.265%0.64932%0.324SS*.  trans67.523.5176.700000114.5A989 C990A989-G994 PolarHBondContact O-N 3.08Å; C990-G994 VanDerWaalsContact O-CA 3.25Å; C990-G994 WeakPolarHBondContact O-CA 3.43Å; C990-G994 PolarHBondContact O-N 3.38Å; C990-G994 VanDerWaalsContact O-N 3.16Å
995K91.1Very high90.2Very high43 Ų4362.8 Ų62.819%0.18733%0.333CS..PPolyproline II helixtrans-77.3128.4179.6-76.6-66.4-158.4151.80112.4A989 C990 L993 L997 L1046 K1047 F1049 L1051A989-K995 VanDerWaalsContact O-CB 3.28Å; A989-K995 WeakPolarHBondContact O-CB 3.47Å; A989-K995 PolarHBondContact O-N 3.5Å; C990-K995 PolarHBondContact SG-O 3.32Å; L993-K995 VanDerWaalsContact C-N 3.29Å; L993-K995 PolarHBondContact O-N 2.8Å; K995-L997 PolarHBondContact O-N 3.04Å; K995-L1046 WeakPolarHBondContact CE-O 3.32Å; K995-L1046 PolarHBondContact NZ-O 3.24Å; K995-K1047 PolarHBondContact NZ-O 2.8Å; K995-F1049 PolarHBondContact NZ-O 3.09Å; K995-L1051 HydrophobicContact CB-CD2 4.33Å
996E92Very high90Very high132 Ų13264.2 Ų64.262%0.61734%0.339SS*.PPolyproline II helixtrans-59.9122.2165.5-172.5-170.3-172.200110.1K998E996-K998 HydrophobicContact CG-CG 4.43Å; E996-K998 WeakPolarHBondContact OE1-CE 3.33Å; E996-K998 IonicContact OE1-NZ 3.63Å; E996-K998 PolarHBondContact OE1-NZ 2.91Å; E996-K998 WeakPolarHBondContact OE2-CE 3.25Å; E996-K998 IonicContact OE2-NZ 2.76Å; E996-K998 PolarHBondContact OE2-NZ 3.34Å
997L93.2Very high90Very high59 Ų5968.1 Ų68.131%0.30936%0.36SS..EExtended strand (participates in β ladder)trans-91.9129170.7-178.570.6000109.5L986 K995 L1051 N1053L986-L997 HydrophobicContact CD2-CD1 4.11Å; L986-L997 HydrophobicContact CD2-CD2 3.72Å; L986-L997 HydrophobicContact CD2-CG 4.49Å; K995-L997 PolarHBondContact O-N 3.04Å; L997-L1051 HydrophobicContact CB-CD2 4.34Å; L997-L1051 HydrophobicContact CD1-CB 4.41Å; L997-L1051 HydrophobicContact CD1-CD2 3.67Å; L997-L1051 HydrophobicContact CD1-CG 3.64Å; L997-N1053 HydrophobicContact CD1-CB 4.03Å; L997-N1053 HydrophobicContact CD2-CB 4.16Å; L997-N1053 WeakPolarHBondContact CD2-OD1 3.35Å; L997-N1053 HydrophobicContact CG-CB 4.35Å; L997-N1053 WeakPolarHBondContact CG-OD1 3.24Å
998K93.9Very high90.1Very high93 Ų9368.4 Ų68.440%0.40436%0.362SS..EExtended strand (participates in β ladder)trans-109.9129.7175.5-61.3-173.4179.3-174.50110.4E996 H1000 L1051 L1052 N1053E996-K998 HydrophobicContact CG-CG 4.43Å; E996-K998 WeakPolarHBondContact OE1-CE 3.33Å; E996-K998 IonicContact OE1-NZ 3.63Å; E996-K998 PolarHBondContact OE1-NZ 2.91Å; E996-K998 WeakPolarHBondContact OE2-CE 3.25Å; E996-K998 IonicContact OE2-NZ 2.76Å; E996-K998 PolarHBondContact OE2-NZ 3.34Å; K998-H1000 PolarHBondContact O-N 3.28Å; K998-L1051 PolarHBondContact N-O 3.4Å; K998-L1052 HydrophobicContact CB-CD2 3.9Å; K998-L1052 CarbonylContact O-C 3.58Å; K998-L1052 WeakPolarHBondContact O-CA 3.37Å; K998-N1053 PolarHBondContact O-N 3.4Å; K998-N1053 PolarHBondContact O-OD1 3.34Å
999H94.6Very high90.3Very high78 Ų7868.6 Ų68.636%0.36136%0.364SS..EExtended strand (participates in β ladder)trans-75.2129.6174.2-172.337000110N1053 Q1054 H1056H999-N1053 VanDerWaalsContact CA-OD1 3.31Å; H999-N1053 WeakPolarHBondContact CA-OD1 3.24Å; H999-N1053 PolarHBondContact ND1-ND2 3.2Å; H999-N1053 PolarHBondContact ND1-O 3.49Å; H999-Q1054 PolarHBondContact CE1-O 3.31Å; H999-H1056 AromaticContact CD2-CE1 3.55Å; H999-H1056 AromaticContact CD2-NE2 3.22Å; H999-H1056 PolarHBondContact CD2-NE2 2.89Å; H999-H1056 AromaticContact CG-CE1 3.59Å; H999-H1056 AromaticContact CG-NE2 3.75Å; H999-H1056 AromaticContact NE2-CD2 3.85Å; H999-H1056 AromaticContact NE2-NE2 3.53Å
1000H92.3Very high90.5Very high87 Ų8770.5 Ų70.540%0.40337%0.372SS..  trans-127.497.2174.7-179.6-63.7000107.2K998 R1002 L1052 N1053 Q1054K998-H1000 PolarHBondContact O-N 3.28Å; H1000-R1002 PolarHBondContact O-N 3.06Å; H1000-L1052 HydrophobicContact CB-CB 4.19Å; H1000-L1052 HydrophobicContact CB-CD1 4.08Å; H1000-L1052 HydrophobicContact CB-CD2 4.47Å; H1000-L1052 HydrophobicContact CB-CG 4.49Å; H1000-N1053 PolarHBondContact N-O 2.91Å; H1000-Q1054 WeakPolarHBondContact O-CA 3.07Å
1001V90.2Very high90.6Very high101 Ų10168.7 Ų68.761%0.61236%0.36SS*.PPolyproline II helixtrans-53.4138.1179.2-177.20000109.6
1002R90.4Very high90.8Very high31 Ų3167 Ų6712%0.11736%0.358CS..PPolyproline II helixtrans-79.7130.1174.7-169.7-180-174.9147-15.6110.8H951 H1000 E1006 S1008 Q1054 Y1055H951-R1002 PolarHBondContact CE1-NH1 3.08Å; H951-R1002 PolarHBondContact CE1-NH2 3.48Å; H951-R1002 VanDerWaalsContact CE1-NH2 3.31Å; H951-R1002 PolarHBondContact ND1-NH1 3.11Å; H1000-R1002 PolarHBondContact O-N 3.06Å; R1002-E1006 VanDerWaalsContact CA-OE2 3.25Å; R1002-E1006 WeakPolarHBondContact CA-OE2 3.41Å; R1002-E1006 HydrophobicContact CG-CB 3.83Å; R1002-E1006 HydrophobicContact CG-CG 4.23Å; R1002-E1006 VanDerWaalsContact CG-OE2 3.24Å; R1002-E1006 WeakPolarHBondContact CG-OE2 3.5Å; R1002-E1006 PolarHBondContact NE-O 3.01Å; R1002-E1006 PolarHBondContact NH2-O 2.91Å; R1002-S1008 PolarHBondContact NH1-OG 3.13Å; R1002-S1008 VanDerWaalsContact NH2-N 3.19Å; R1002-S1008 PolarHBondContact NH2-OG 3.12Å; R1002-Q1054 HydrophobicContact CB-CB 4.38Å; R1002-Q1054 HydrophobicContact CB-CG 4.4Å; R1002-Y1055 HydrophobicContact CB-CE1 4.47Å; R1002-Y1055 VanDerWaalsContact CD-OH 3.3Å; R1002-Y1055 WeakPolarHBondContact CD-OH 3.41Å
1003E88.7Confident90.9Very high144 Ų14467.5 Ų67.567%0.67337%0.365SS*.PPolyproline II helixtrans-79151.5179.9-62.4-170.715400112.6G1005 E1006E1003-G1005 PolarHBondContact O-N 3.44Å; E1003-E1006 HydrophobicContact CB-CB 4.26Å; E1003-E1006 PolarHBondContact N-OE2 3.01Å; E1003-E1006 WeakPolarHBondContact O-CB 3.48Å; E1003-E1006 PolarHBondContact O-N 3.47Å
1004P83.9Confident91Very high101 Ų10167.2 Ų67.266%0.65637%0.367SS*.THydrogen-bonded Turntrans-61.5123.1172.6-21.233.6000111.3N482N482-P1004 WeakPolarHBondContact OD1-CB 3.49Å
1005G83.3Confident91.1Very high22 Ų2268.6 Ų68.623%0.22736%0.357CS..THydrogen-bonded Turntrans87.9-6.4-174.100000115.2G784 H785 E1003 L1007G784-G1005 WeakPolarHBondContact O-CA 3.44Å; H785-G1005 WeakPolarHBondContact CB-O 3.3Å; E1003-G1005 PolarHBondContact O-N 3.44Å; G1005-L1007 PolarHBondContact O-N 3.11Å
1006E89.4Confident91.1Very high34 Ų3468 Ų6816%0.15936%0.36CS..PPolyproline II helixtrans-58.5127.5-179.9-170.3-173.1139.200111.2R1002 E1003 H1009 Q1054R1002-E1006 VanDerWaalsContact CA-OE2 3.25Å; R1002-E1006 WeakPolarHBondContact CA-OE2 3.41Å; R1002-E1006 HydrophobicContact CG-CB 3.83Å; R1002-E1006 HydrophobicContact CG-CG 4.23Å; R1002-E1006 VanDerWaalsContact CG-OE2 3.24Å; R1002-E1006 WeakPolarHBondContact CG-OE2 3.5Å; R1002-E1006 PolarHBondContact NE-O 3.01Å; R1002-E1006 PolarHBondContact NH2-O 2.91Å; E1003-E1006 HydrophobicContact CB-CB 4.26Å; E1003-E1006 PolarHBondContact N-OE2 3.01Å; E1003-E1006 WeakPolarHBondContact O-CB 3.48Å; E1003-E1006 PolarHBondContact O-N 3.47Å; E1006-H1009 IonicContact OE1-CD2 2.65Å; E1006-H1009 IonicContact OE1-CE1 3.95Å; E1006-H1009 IonicContact OE1-NE2 2.67Å; E1006-H1009 PolarHBondContact OE1-NE2 3.35Å; E1006-Q1054 PolarHBondContact OE1-NE2 3.24Å
1007L91.6Very high91.2Very high103 Ų10362.8 Ų62.854%0.53934%0.335SS..PPolyproline II helixtrans-60.8146.7177.8-58.6178.2000111.4H785 G1005H785-L1007 HydrophobicContact CB-CD2 4.19Å; G1005-L1007 PolarHBondContact O-N 3.11Å
1008S93.3Very high91.3Very high10 Ų1060.5 Ų60.57%0.0732%0.324CS..PPolyproline II helixtrans-71.2137.5172.3-75.30000112.1H785 H951 R1002 Y1010H785-S1008 PolarHBondContact CE1-OG 3Å; H785-S1008 VanDerWaalsContact CE1-OG 3.23Å; H785-S1008 PolarHBondContact NE2-N 3.32Å; H951-S1008 PolarHBondContact CD2-OG 2.66Å; H951-S1008 VanDerWaalsContact CG-OG 3.24Å; R1002-S1008 PolarHBondContact NH1-OG 3.13Å; R1002-S1008 VanDerWaalsContact NH2-N 3.19Å; R1002-S1008 PolarHBondContact NH2-OG 3.12Å; S1008-Y1010 VanDerWaalsContact O-CD2 3.25Å; S1008-Y1010 WeakPolarHBondContact O-CD2 3.12Å; S1008-Y1010 WeakPolarHBondContact O-CE2 3.29Å
1009H94.1Very high91.3Very high48 Ų4857.2 Ų57.222%0.22231%0.309CS..PPolyproline II helixtrans-78143-176.2-64.6-67.6000112.9E1006 V1018 L1022 V1033 Q1054E1006-H1009 IonicContact OE1-CD2 2.65Å; E1006-H1009 IonicContact OE1-CE1 3.95Å; E1006-H1009 IonicContact OE1-NE2 2.67Å; E1006-H1009 PolarHBondContact OE1-NE2 3.35Å; H1009-V1018 HydrophobicContact CB-CB 4.47Å; H1009-V1018 PolarHBondContact O-N 3.45Å; H1009-L1022 HydrophobicContact CB-CD2 4.06Å; H1009-V1033 HydrophobicContact CB-CG1 4.09Å; H1009-V1033 HydrophobicContact CB-CG2 4.43Å; H1009-Q1054 PolarHBondContact CD2-NE2 3.39Å; H1009-Q1054 VanDerWaalsContact CD2-NE2 3.33Å; H1009-Q1054 PolarHBondContact NE2-NE2 3.43Å
1010Y94Very high91.4Very high39 Ų3953.5 Ų53.515%0.15329%0.292CS..BIsolated β-bridgetrans-129.3149175.7-68-86.6000109.5S945 L946 P948 S1008 C1012 E1015 A1016 E1017S945-Y1010 VanDerWaalsContact O-CE1 3.26Å; S945-Y1010 WeakPolarHBondContact O-CE1 3.49Å; S945-Y1010 PolarHBondContact O-OH 2.9Å; S945-Y1010 VanDerWaalsContact O-OH 3.1Å; L946-Y1010 PolarHBondContact O-OH 2.94Å; P948-Y1010 WeakPolarHBondContact CB-OH 3.4Å; P948-Y1010 WeakPolarHBondContact CD-OH 3.44Å; S1008-Y1010 VanDerWaalsContact O-CD2 3.25Å; S1008-Y1010 WeakPolarHBondContact O-CD2 3.12Å; S1008-Y1010 WeakPolarHBondContact O-CE2 3.29Å; Y1010-C1012 PolarHBondContact O-N 3.26Å; Y1010-E1015 VanDerWaalsContact CD1-O 3.28Å; Y1010-E1015 WeakPolarHBondContact CD1-O 3.38Å; Y1010-A1016 CarbonylContact C-O 3.48Å; Y1010-A1016 WeakPolarHBondContact CA-O 3.46Å; Y1010-E1017 HydrophobicContact CD1-CB 4.31Å; Y1010-E1017 HydrophobicContact CE1-CB 4.09Å
1011C93.6Very high91.5Very high2 Ų249.8 Ų49.81%0.01428%0.275CS..  trans-70123.3177.7177.30000110.9L1013 C1014 E1015 A1016 V1018 V1033 C1035C1011-L1013 PolarHBondContact O-N 3.16Å; C1011-C1014 PolarHBondContact O-N 2.88Å; C1011-C1014 VanDerWaalsContact SG-SG 3.64Å; C1011-E1015 VanDerWaalsContact O-CA 3.3Å; C1011-E1015 WeakPolarHBondContact O-CA 3.41Å; C1011-E1015 PolarHBondContact O-N 3.49Å; C1011-A1016 PolarHBondContact N-O 2.92Å; C1011-V1018 HydrophobicContact CB-CG2 3.94Å; C1011-V1033 WeakPolarHBondContact CA-O 3.42Å; C1011-C1035 HydrophobicContact CB-CB 4.02Å; C1011-C1035 PolarHBondContact SG-N 3.25Å; C1011-C1035 VanDerWaalsContact SG-N 3.35Å
1012C91.8Very high91.7Very high64 Ų6445.2 Ų45.243%0.43225%0.247SC..THydrogen-bonded Turntrans-64.6-4.5-178.664.40000116Y1010 V1033 H1034Y1010-C1012 PolarHBondContact O-N 3.26Å; C1012-V1033 PolarHBondContact N-O 2.9Å; C1012-V1033 PolarHBondContact SG-O 3.23Å; C1012-H1034 VanDerWaalsContact SG-CE1 3.52Å
1013L90.8Very high92Very high107 Ų10744 Ų4456%0.5624%0.243SC*.THydrogen-bonded Turntrans-114-26.3179.4-61.5-172.7000114.8C1011 C1038 M1042C1011-L1013 PolarHBondContact O-N 3.16Å; L1013-C1038 HydrophobicContact CB-CB 4.47Å; L1013-C1038 HydrophobicContact CD1-CB 4.28Å; L1013-M1042 HydrophobicContact CD1-CG 4.44Å; L1013-M1042 HydrophobicContact CD1-SD 3.57Å; L1013-M1042 VanDerWaalsContact CD1-SD 3.57Å
1014C89.3Confident92.2Very high51 Ų5137.4 Ų37.435%0.34521%0.213SC..THydrogen-bonded Turntrans-132.43.6-177.668.90000114.2C1011 A1016 C1035 C1038C1011-C1014 PolarHBondContact O-N 2.88Å; C1011-C1014 VanDerWaalsContact SG-SG 3.64Å; C1014-A1016 PolarHBondContact O-N 3.38Å; C1014-C1035 VanDerWaalsContact SG-SG 3.65Å; C1014-C1038 VanDerWaalsContact SG-SG 3.68Å
1015E91.5Very high92.6Very high92 Ų9233.6 Ų33.643%0.4319%0.187SC..  trans54.613.2176.8-53.3-156.3102.700116.5K944 Y1010 C1011K944-E1015 HydrophobicContact CB-CB 3.9Å; K944-E1015 HydrophobicContact CD-CB 4.28Å; K944-E1015 WeakPolarHBondContact CD-OE1 3.29Å; K944-E1015 HydrophobicContact CG-CB 4.11Å; Y1010-E1015 VanDerWaalsContact CD1-O 3.28Å; Y1010-E1015 WeakPolarHBondContact CD1-O 3.38Å; C1011-E1015 VanDerWaalsContact O-CA 3.3Å; C1011-E1015 WeakPolarHBondContact O-CA 3.41Å; C1011-E1015 PolarHBondContact O-N 3.49Å
1016A90.7Very high92.8Very high31 Ų3135.6 Ų35.626%0.25620%0.196SC..  trans-71.3144.8171.600000111.3Y1010 C1011 C1014Y1010-A1016 CarbonylContact C-O 3.48Å; Y1010-A1016 WeakPolarHBondContact CA-O 3.46Å; C1011-A1016 PolarHBondContact N-O 2.92Å; C1014-A1016 PolarHBondContact O-N 3.38Å
1017E95Very high92.5Very high22 Ų2241.6 Ų41.610%0.10322%0.217CC..BIsolated β-bridgetrans-57.6135.5173.8-173.3-175.6172.500110.8Y935 P948 M949 V950 H951 Y1010Y935-E1017 HydrophobicContact CE2-CB 4.23Å; Y935-E1017 WeakPolarHBondContact CE2-OE2 3.45Å; Y935-E1017 WeakPolarHBondContact OH-CB 3.48Å; Y935-E1017 PolarHBondContact OH-OE2 3.44Å; P948-E1017 VanDerWaalsContact CA-OE2 3.3Å; P948-E1017 WeakPolarHBondContact CA-OE2 3.28Å; P948-E1017 VanDerWaalsContact CB-CD 3.42Å; P948-E1017 HydrophobicContact CB-CG 3.9Å; P948-E1017 WeakPolarHBondContact CB-OE1 3.39Å; M949-E1017 PolarHBondContact N-OE2 3.01Å; V950-E1017 WeakPolarHBondContact CB-OE1 3.39Å; V950-E1017 PolarHBondContact N-OE1 3.28Å; V950-E1017 PolarHBondContact N-OE2 2.72Å; H951-E1017 WeakPolarHBondContact CB-OE1 3.43Å; H951-E1017 PolarHBondContact N-OE1 3.16Å; Y1010-E1017 HydrophobicContact CD1-CB 4.31Å; Y1010-E1017 HydrophobicContact CE1-CB 4.09Å
1018V94.4Very high91.6Very high10 Ų1042.4 Ų42.46%0.06122%0.222CC..  trans-116.384.4176.9-172.60000108.4H1009 C1011 I1021 L1022 V1033 C1035H1009-V1018 HydrophobicContact CB-CB 4.47Å; H1009-V1018 PolarHBondContact O-N 3.45Å; C1011-V1018 HydrophobicContact CB-CG2 3.94Å; V1018-I1021 VanDerWaalsContact CG1-O 3.28Å; V1018-I1021 WeakPolarHBondContact CG1-O 3.33Å; V1018-L1022 HydrophobicContact CB-CD2 4.41Å; V1018-L1022 HydrophobicContact CG1-CD2 3.87Å; V1018-L1022 WeakPolarHBondContact O-CD2 3.48Å; V1018-V1033 HydrophobicContact CB-CG1 4.08Å; V1018-V1033 HydrophobicContact CG1-CG1 3.99Å; V1018-V1033 HydrophobicContact CG2-CG1 4.24Å; V1018-C1035 HydrophobicContact CG2-CB 4.02Å
1019F95.2Very high90.8Very high24 Ų2451.3 Ų51.311%0.10526%0.262CS..  trans-80.4136-179179.1-98000112.3V950 H951 W954 I1021 Y1055 L1060V950-F1019 HydrophobicContact CB-CB 4.08Å; V950-F1019 HydrophobicContact CB-CG 4.23Å; V950-F1019 HydrophobicContact CG1-CB 3.8Å; V950-F1019 HydrophobicContact CG1-CD1 3.76Å; V950-F1019 HydrophobicContact CG1-CD2 4.09Å; V950-F1019 HydrophobicContact CG1-CE1 4.41Å; V950-F1019 HydrophobicContact CG1-CG 3.58Å; H951-F1019 HydrophobicContact CB-CD2 4.11Å; H951-F1019 HydrophobicContact CB-CE2 4.41Å; W954-F1019 HydrophobicContact CB-CE2 4.28Å; W954-F1019 HydrophobicContact CB-CZ 4.15Å; W954-F1019 AromaticContact CD1-CE1 3.44Å; W954-F1019 VanDerWaalsContact CD1-CE1 3.44Å; W954-F1019 AromaticContact CD1-CE2 3.59Å; W954-F1019 AromaticContact CD1-CZ 3.1Å; W954-F1019 HydrophobicContact CD2-CZ 4.19Å; W954-F1019 HydrophobicContact CG-CE1 4.23Å; W954-F1019 HydrophobicContact CG-CE2 4.09Å; W954-F1019 AromaticContact CG-CZ 3.57Å; W954-F1019 HydrophobicContact CG-CZ 3.57Å; W954-F1019 AromaticContact NE1-CE1 3.31Å; W954-F1019 VanDerWaalsContact NE1-CE1 3.31Å; W954-F1019 AromaticContact NE1-CZ 3.48Å; F1019-I1021 PolarHBondContact O-N 3.26Å; F1019-Y1055 HydrophobicContact CE2-CD2 4.35Å; F1019-Y1055 HydrophobicContact CE2-CE2 4.03Å; F1019-Y1055 HydrophobicContact CZ-CD2 4.01Å; F1019-Y1055 HydrophobicContact CZ-CE2 4.12Å; F1019-L1060 HydrophobicContact CE1-CD1 4.37Å; F1019-L1060 HydrophobicContact CZ-CD2 4.31Å
1020N95.7Very high90.2Very high1 Ų157.7 Ų57.71%0.00528%0.284CS..SBendtrans60.6-63.9178.4-17124.3000115.8N1053 Q1054 Y1055N1020-N1053 CarbonylContact O-C 3.42Å; N1020-N1053 WeakPolarHBondContact O-CA 3.41Å; N1020-Q1054 PolarHBondContact O-N 3.07Å; N1020-Q1054 PolarHBondContact OD1-N 3.07Å; N1020-Q1054 VanDerWaalsContact OD1-N 3.11Å; N1020-Y1055 PolarHBondContact OD1-N 2.62Å; N1020-Y1055 PolarHBondContact OD1-O 2.88Å
1021I95.2Very high89.8Confident8 Ų864.2 Ų64.24%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-97.1107.7-169.1-55.9166.5000110C982 V985 L986 V1018 F1019 F1023 L1051 L1052C982-I1021 HydrophobicContact CB-CD1 4.14Å; C982-I1021 VanDerWaalsContact O-CD1 3.23Å; C982-I1021 WeakPolarHBondContact O-CD1 3.48Å; V985-I1021 HydrophobicContact CB-CD1 3.94Å; V985-I1021 HydrophobicContact CG1-CB 4.36Å; V985-I1021 HydrophobicContact CG1-CD1 3.83Å; V985-I1021 HydrophobicContact CG1-CG2 3.98Å; L986-I1021 HydrophobicContact CD2-CD1 3.79Å; L986-I1021 HydrophobicContact CD2-CG1 4.29Å; L986-I1021 HydrophobicContact CG-CD1 3.72Å; V1018-I1021 VanDerWaalsContact CG1-O 3.28Å; V1018-I1021 WeakPolarHBondContact CG1-O 3.33Å; F1019-I1021 PolarHBondContact O-N 3.26Å; I1021-F1023 HydrophobicContact CG2-CE2 3.98Å; I1021-F1023 HydrophobicContact CG2-CZ 4.14Å; I1021-L1051 HydrophobicContact CG2-CD1 3.67Å; I1021-L1051 HydrophobicContact CG2-CG 4.29Å; I1021-L1052 CarbonylContact C-O 3.51Å; I1021-L1052 VanDerWaalsContact CA-O 3.32Å; I1021-L1052 WeakPolarHBondContact CA-O 3.37Å
1022L94.8Very high89.7Confident5 Ų567.8 Ų67.83%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-101.6126.2-173.2-42.5-177.1000110.6H1009 V1018 V1024 V1033 L1052 Q1054H1009-L1022 HydrophobicContact CB-CD2 4.06Å; V1018-L1022 HydrophobicContact CB-CD2 4.41Å; V1018-L1022 HydrophobicContact CG1-CD2 3.87Å; V1018-L1022 WeakPolarHBondContact O-CD2 3.48Å; L1022-V1024 HydrophobicContact CB-CG2 4.01Å; L1022-V1033 HydrophobicContact CB-CG1 4.13Å; L1022-V1033 HydrophobicContact CD2-CG1 4.27Å; L1022-L1052 HydrophobicContact CB-CB 4.23Å; L1022-L1052 PolarHBondContact N-O 3.43Å; L1022-L1052 PolarHBondContact O-N 3.07Å; L1022-Q1054 HydrophobicContact CD1-CG 4.29Å
1023F95Very high89.8Confident5 Ų565.6 Ų65.62%0.02231%0.31CS..EExtended strand (participates in β ladder)trans-95.998.6172.2-60.7-98.3000108.6V985 I1021 H1034 L1036 A1039 L1046 F1049 L1051V985-F1023 HydrophobicContact CG1-CE2 4.05Å; V985-F1023 HydrophobicContact CG1-CZ 3.69Å; I1021-F1023 HydrophobicContact CG2-CE2 3.98Å; I1021-F1023 HydrophobicContact CG2-CZ 4.14Å; F1023-H1034 HydrophobicContact CB-CB 4.31Å; F1023-H1034 WeakPolarHBondContact CB-O 3.01Å; F1023-H1034 PolarHBondContact N-O 2.58Å; F1023-H1034 WeakPolarHBondContact O-CB 3.24Å; F1023-H1034 PolarHBondContact O-N 3.27Å; F1023-L1036 HydrophobicContact CD2-CB 4.36Å; F1023-L1036 HydrophobicContact CE1-CD1 3.67Å; F1023-L1036 HydrophobicContact CE2-CB 3.75Å; F1023-L1036 HydrophobicContact CE2-CD1 4.35Å; F1023-L1036 HydrophobicContact CZ-CB 3.87Å; F1023-L1036 HydrophobicContact CZ-CD1 3.59Å; F1023-L1036 HydrophobicContact CZ-CG 4.27Å; F1023-A1039 HydrophobicContact CB-CB 3.78Å; F1023-A1039 HydrophobicContact CD1-CB 4.14Å; F1023-A1039 HydrophobicContact CG-CB 4.07Å; F1023-L1046 HydrophobicContact CD1-CD1 4.02Å; F1023-L1046 HydrophobicContact CD1-CD2 4.23Å; F1023-L1046 HydrophobicContact CE1-CD1 3.7Å; F1023-F1049 HydrophobicContact CB-CD1 4.15Å; F1023-L1051 HydrophobicContact CD1-CD1 3.63Å; F1023-L1051 HydrophobicContact CD2-CD1 4.48Å; F1023-L1051 HydrophobicContact CE1-CD1 3.32Å; F1023-L1051 HydrophobicContact CE2-CD1 4.21Å; F1023-L1051 HydrophobicContact CG-CD1 4.19Å; F1023-L1051 HydrophobicContact CZ-CD1 3.63Å
1024V94.5Very high90Very high7 Ų760.8 Ų60.84%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-99.5124.8-170.3-179.30000110.8L1022 Y1031 F1032 V1033 F1049 V1050 L1052L1022-V1024 HydrophobicContact CB-CG2 4.01Å; V1024-Y1031 HydrophobicContact CG1-CD1 3.66Å; V1024-Y1031 HydrophobicContact CG1-CG 4.13Å; V1024-F1032 WeakPolarHBondContact CA-O 3.47Å; V1024-V1033 HydrophobicContact CG2-CG2 4.39Å; V1024-F1049 WeakPolarHBondContact O-CA 3.44Å; V1024-V1050 HydrophobicContact CB-CB 4.44Å; V1024-V1050 PolarHBondContact N-O 3.23Å; V1024-V1050 PolarHBondContact O-N 3.3Å; V1024-L1052 HydrophobicContact CG2-CD1 3.82Å; V1024-L1052 HydrophobicContact CG2-CG 4.14Å
1025L92.2Very high90.1Very high20 Ų2059.2 Ų59.211%0.10527%0.274CS..EExtended strand (participates in β ladder)trans-101.1111.7169-172.965.2000109.1F1032 M1042 R1048 F1049L1025-F1032 PolarHBondContact N-O 3.3Å; L1025-F1032 PolarHBondContact O-N 2.92Å; L1025-M1042 HydrophobicContact CD2-CE 3.79Å; L1025-R1048 HydrophobicContact CD1-CB 3.98Å; L1025-R1048 WeakPolarHBondContact CD1-O 3.42Å; L1025-F1049 HydrophobicContact CB-CD1 4.03Å; L1025-F1049 HydrophobicContact CB-CE1 3.79Å
1026P86.2Confident90.1Very high65 Ų6555.6 Ų55.642%0.42226%0.258SS..EExtended strand (participates in β ladder)trans-73.2133.3172.229.6-33.2000110.4Y1031P1026-Y1031 HydrophobicContact CB-CD1 4.08Å; P1026-Y1031 HydrophobicContact CB-CE1 3.94Å
1027R82.6Confident90.1Very high160 Ų16057 Ų5760%0.60426%0.261SS*.EExtended strand (participates in β ladder)trans-159131177.7169.9176.3177.3-179.80.6110.3E1029 R1030 F1032R1027-E1029 VanDerWaalsContact C-N 3.33Å; R1027-E1029 PolarHBondContact O-N 3.35Å; R1027-R1030 PolarHBondContact N-O 3.18Å; R1027-R1030 CarbonylContact O-C 3.48Å; R1027-R1030 WeakPolarHBondContact O-CA 3.26Å; R1027-R1030 PolarHBondContact O-N 3.48Å; R1027-F1032 HydrophobicContact CB-CD2 4.1Å; R1027-F1032 HydrophobicContact CB-CE2 3.96Å; R1027-F1032 HydrophobicContact CG-CE2 4.32Å
1028D74Confident89.9Confident120 Ų12056.6 Ų56.664%0.64226%0.261SS*.THydrogen-bonded Turntrans50.851.2169.7-48.1-23.4000112R1030D1028-R1030 PolarHBondContact O-N 3.06Å
1029E76.7Confident89.9Confident197 Ų19756.1 Ų56.192%0.92126%0.258SS*.THydrogen-bonded Turntrans58.92.8-173-60.4-174.3159.800116.4R1027R1027-E1029 VanDerWaalsContact C-N 3.33Å; R1027-E1029 PolarHBondContact O-N 3.35Å
1030R81.1Confident89.6Confident181 Ų18156.4 Ų56.468%0.68326%0.262SS*.EExtended strand (participates in β ladder)trans-108.5155.5179.4-62.6178.6-175.6-160-1.7112R1027 D1028 F1032R1027-R1030 PolarHBondContact N-O 3.18Å; R1027-R1030 CarbonylContact O-C 3.48Å; R1027-R1030 WeakPolarHBondContact O-CA 3.26Å; R1027-R1030 PolarHBondContact O-N 3.48Å; D1028-R1030 PolarHBondContact O-N 3.06Å; R1030-F1032 HydrophobicContact CB-CE2 3.78Å; R1030-F1032 HydrophobicContact CB-CZ 4.13Å
1031Y86.5Confident89.4Confident176 Ų17664.9 Ų64.969%0.6930%0.299SS*.EExtended strand (participates in β ladder)trans-114.4118.2-179.3-65.4-75.6000109.8V1024 P1026V1024-Y1031 HydrophobicContact CG1-CD1 3.66Å; V1024-Y1031 HydrophobicContact CG1-CG 4.13Å; P1026-Y1031 HydrophobicContact CB-CD1 4.08Å; P1026-Y1031 HydrophobicContact CB-CE1 3.94Å
1032F90.8Very high89.2Confident78 Ų7868.2 Ų68.234%0.34232%0.315SS..EExtended strand (participates in β ladder)trans-104.9114.6-177.3-65.7-90.5000110.4V1024 L1025 R1027 R1030 H1034V1024-F1032 WeakPolarHBondContact CA-O 3.47Å; L1025-F1032 PolarHBondContact N-O 3.3Å; L1025-F1032 PolarHBondContact O-N 2.92Å; R1027-F1032 HydrophobicContact CB-CD2 4.1Å; R1027-F1032 HydrophobicContact CB-CE2 3.96Å; R1027-F1032 HydrophobicContact CG-CE2 4.32Å; R1030-F1032 HydrophobicContact CB-CE2 3.78Å; R1030-F1032 HydrophobicContact CB-CZ 4.13Å; F1032-H1034 PolarHBondContact O-CE1 2.9Å; F1032-H1034 PolarHBondContact O-ND1 3.21Å
1033V93.5Very high89Confident18 Ų1869 Ų6911%0.10932%0.32CS..EExtended strand (participates in β ladder)trans-80.6132.1179-175.80000111H1009 C1011 C1012 V1018 L1022 V1024H1009-V1033 HydrophobicContact CB-CG1 4.09Å; H1009-V1033 HydrophobicContact CB-CG2 4.43Å; C1011-V1033 WeakPolarHBondContact CA-O 3.42Å; C1012-V1033 PolarHBondContact N-O 2.9Å; C1012-V1033 PolarHBondContact SG-O 3.23Å; V1018-V1033 HydrophobicContact CB-CG1 4.08Å; V1018-V1033 HydrophobicContact CG1-CG1 3.99Å; V1018-V1033 HydrophobicContact CG2-CG1 4.24Å; L1022-V1033 HydrophobicContact CB-CG1 4.13Å; L1022-V1033 HydrophobicContact CD2-CG1 4.27Å; V1024-V1033 HydrophobicContact CG2-CG2 4.39Å
1034H94.3Very high88.6Confident5 Ų572.1 Ų72.12%0.02335%0.346CS..EExtended strand (participates in β ladder)trans-123.1153.2176.6-58.465.5000110.1C1012 F1023 F1032 C1038 A1039 M1042 F1049C1012-H1034 VanDerWaalsContact SG-CE1 3.52Å; F1023-H1034 HydrophobicContact CB-CB 4.31Å; F1023-H1034 WeakPolarHBondContact CB-O 3.01Å; F1023-H1034 PolarHBondContact N-O 2.58Å; F1023-H1034 WeakPolarHBondContact O-CB 3.24Å; F1023-H1034 PolarHBondContact O-N 3.27Å; F1032-H1034 PolarHBondContact O-CE1 2.9Å; F1032-H1034 PolarHBondContact O-ND1 3.21Å; H1034-C1038 HydrophobicContact CB-CB 4.46Å; H1034-A1039 HydrophobicContact CB-CB 4.23Å; H1034-M1042 VanDerWaalsContact CD2-SD 3.53Å; H1034-M1042 PolarHBondContact NE2-SD 3.02Å; H1034-F1049 HydrophobicContact CB-CE1 4.13Å; H1034-F1049 AromaticContact CE1-CE1 3.98Å; H1034-F1049 AromaticContact CG-CE1 3.73Å; H1034-F1049 AromaticContact ND1-CE1 3.68Å
1035C92.2Very high88.2Confident18 Ų1874.9 Ų74.912%0.12236%0.363CS..  trans-79.3159.3162.571.10000109.9C1011 C1014 V1018 N1037 C1038 A1039C1011-C1035 HydrophobicContact CB-CB 4.02Å; C1011-C1035 PolarHBondContact SG-N 3.25Å; C1011-C1035 VanDerWaalsContact SG-N 3.35Å; C1014-C1035 VanDerWaalsContact SG-SG 3.65Å; V1018-C1035 HydrophobicContact CG2-CB 4.02Å; C1035-N1037 VanDerWaalsContact C-N 3.27Å; C1035-N1037 PolarHBondContact O-N 3.43Å; C1035-C1038 PolarHBondContact O-N 2.98Å; C1035-C1038 VanDerWaalsContact O-N 3.12Å; C1035-A1039 PolarHBondContact O-N 2.62Å
1036L91.8Very high88.1Confident17 Ų1774 Ų749%0.08936%0.359CS..Hα-helixtrans-48.1-47.3-179.8174.264.6000112.6I544 V985 Y988 F1023 C1038 A1039 C1040 L1046I544-L1036 HydrophobicContact CD1-CD2 3.55Å; I544-L1036 HydrophobicContact CG2-CD2 4.07Å; V985-L1036 HydrophobicContact CG2-CD2 4.17Å; Y988-L1036 HydrophobicContact CD1-CD1 4.11Å; Y988-L1036 HydrophobicContact CE1-CD1 4.02Å; F1023-L1036 HydrophobicContact CD2-CB 4.36Å; F1023-L1036 HydrophobicContact CE1-CD1 3.67Å; F1023-L1036 HydrophobicContact CE2-CB 3.75Å; F1023-L1036 HydrophobicContact CE2-CD1 4.35Å; F1023-L1036 HydrophobicContact CZ-CB 3.87Å; F1023-L1036 HydrophobicContact CZ-CD1 3.59Å; F1023-L1036 HydrophobicContact CZ-CG 4.27Å; L1036-C1038 PolarHBondContact O-N 2.94Å; L1036-A1039 PolarHBondContact O-N 2.69Å; L1036-C1040 WeakPolarHBondContact O-CB 3.16Å; L1036-C1040 PolarHBondContact O-N 3.34Å; L1036-L1046 HydrophobicContact CD1-CD1 4.18Å
1037N89.9Confident88.2Confident59 Ų5978.6 Ų78.632%0.31637%0.372SS..Hα-helixtrans-62.4-42-177.1-63.2-60.3000113Q546 C1035 K1041Q546-N1037 VanDerWaalsContact O-CG 3.28Å; Q546-N1037 PolarHBondContact O-ND2 3.09Å; Q546-N1037 PolarHBondContact O-OD1 3.25Å; C1035-N1037 VanDerWaalsContact C-N 3.27Å; C1035-N1037 PolarHBondContact O-N 3.43Å; N1037-K1041 WeakPolarHBondContact O-CB 3.49Å; N1037-K1041 WeakPolarHBondContact O-CG 3.28Å; N1037-K1041 PolarHBondContact O-N 2.99Å
1038C91.9Very high88.5Confident15 Ų1578.8 Ų78.810%0.10137%0.373CS..Hα-helixtrans-70.5-40.2177-74.80000111L1013 C1014 H1034 C1035 L1036 K1041 M1042L1013-C1038 HydrophobicContact CB-CB 4.47Å; L1013-C1038 HydrophobicContact CD1-CB 4.28Å; C1014-C1038 VanDerWaalsContact SG-SG 3.68Å; H1034-C1038 HydrophobicContact CB-CB 4.46Å; C1035-C1038 PolarHBondContact O-N 2.98Å; C1035-C1038 VanDerWaalsContact O-N 3.12Å; L1036-C1038 PolarHBondContact O-N 2.94Å; C1038-K1041 PolarHBondContact O-N 3.14Å; C1038-M1042 WeakPolarHBondContact O-CG 3.4Å; C1038-M1042 PolarHBondContact O-N 3.46Å; C1038-M1042 VanDerWaalsContact O-N 3.15Å
1039A92.6Very high89.4Confident0 Ų073.4 Ų73.40%034%0.343CS..Hα-helixtrans-62.5-47.617600000111.8F1023 H1034 C1035 L1036 K1041 M1042 D1043 L1046 F1049F1023-A1039 HydrophobicContact CB-CB 3.78Å; F1023-A1039 HydrophobicContact CD1-CB 4.14Å; F1023-A1039 HydrophobicContact CG-CB 4.07Å; H1034-A1039 HydrophobicContact CB-CB 4.23Å; C1035-A1039 PolarHBondContact O-N 2.62Å; L1036-A1039 PolarHBondContact O-N 2.69Å; A1039-K1041 VanDerWaalsContact C-N 3.35Å; A1039-K1041 PolarHBondContact O-N 2.98Å; A1039-M1042 PolarHBondContact O-N 2.89Å; A1039-M1042 VanDerWaalsContact O-N 3.11Å; A1039-D1043 PolarHBondContact O-N 3.41Å; A1039-L1046 HydrophobicContact CB-CD2 3.46Å; A1039-L1046 VanDerWaalsContact CB-CD2 3.46Å; A1039-F1049 HydrophobicContact CB-CD1 4.04Å; A1039-F1049 HydrophobicContact CB-CD2 4.17Å; A1039-F1049 HydrophobicContact CB-CE1 3.79Å; A1039-F1049 HydrophobicContact CB-CE2 3.93Å; A1039-F1049 HydrophobicContact CB-CG 4.23Å; A1039-F1049 HydrophobicContact CB-CZ 3.74Å; A1039-F1049 WeakPolarHBondContact O-CE2 3.11Å
1040C90.6Very high90.2Very high29 Ų2966.8 Ų66.820%0.19632%0.316CS..Hα-helixtrans-67.1-28.9176.3-74.90000113.9L1036 M1042 D1043 A1044L1036-C1040 WeakPolarHBondContact O-CB 3.16Å; L1036-C1040 PolarHBondContact O-N 3.34Å; C1040-M1042 VanDerWaalsContact C-N 3.31Å; C1040-D1043 CarbonylContact O-C 3.49Å; C1040-A1044 WeakPolarHBondContact O-CA 3.29Å; C1040-A1044 PolarHBondContact O-N 3.44Å
1041K90.7Very high90.8Very high179 Ų17958.5 Ų58.578%0.77829%0.286SS*.Hα-helixtrans-68.8-27.2170.9-78.7172.7-179.2-178.60112.9N1037 C1038 A1039N1037-K1041 WeakPolarHBondContact O-CB 3.49Å; N1037-K1041 WeakPolarHBondContact O-CG 3.28Å; N1037-K1041 PolarHBondContact O-N 2.99Å; C1038-K1041 PolarHBondContact O-N 3.14Å; A1039-K1041 VanDerWaalsContact C-N 3.35Å; A1039-K1041 PolarHBondContact O-N 2.98Å
1042M90.9Very high91.2Very high79 Ų7951.5 Ų51.539%0.38926%0.26SS..Hα-helixtrans-89.9-35.2177.4-67.9171.470.300113.3L1013 L1025 H1034 C1038 A1039 C1040 F1049L1013-M1042 HydrophobicContact CD1-CG 4.44Å; L1013-M1042 HydrophobicContact CD1-SD 3.57Å; L1013-M1042 VanDerWaalsContact CD1-SD 3.57Å; L1025-M1042 HydrophobicContact CD2-CE 3.79Å; H1034-M1042 VanDerWaalsContact CD2-SD 3.53Å; H1034-M1042 PolarHBondContact NE2-SD 3.02Å; C1038-M1042 WeakPolarHBondContact O-CG 3.4Å; C1038-M1042 PolarHBondContact O-N 3.46Å; C1038-M1042 VanDerWaalsContact O-N 3.15Å; A1039-M1042 PolarHBondContact O-N 2.89Å; A1039-M1042 VanDerWaalsContact O-N 3.11Å; C1040-M1042 VanDerWaalsContact C-N 3.31Å; M1042-F1049 HydrophobicContact CB-CE2 4.25Å; M1042-F1049 HydrophobicContact CB-CZ 4.14Å; M1042-F1049 HydrophobicContact CE-CZ 4.33Å; M1042-F1049 HydrophobicContact SD-CZ 4.04Å
1043D90.4Very high91.4Very high22 Ų2248.2 Ų48.212%0.11825%0.246CC..  trans-151.1100177.4-179.6-12000108.3A1039 C1040 T1045 L1046 K1047 R1048 F1049A1039-D1043 PolarHBondContact O-N 3.41Å; C1040-D1043 CarbonylContact O-C 3.49Å; D1043-T1045 PolarHBondContact O-N 3.05Å; D1043-T1045 VanDerWaalsContact O-N 3.1Å; D1043-T1045 WeakPolarHBondContact OD1-CA 3.38Å; D1043-T1045 WeakPolarHBondContact OD1-CB 3.46Å; D1043-T1045 PolarHBondContact OD1-N 3.05Å; D1043-T1045 PolarHBondContact OD1-OG1 3.26Å; D1043-L1046 WeakPolarHBondContact O-CA 3.48Å; D1043-L1046 PolarHBondContact O-N 3.43Å; D1043-L1046 PolarHBondContact OD1-N 2.8Å; D1043-K1047 WeakPolarHBondContact OD2-CA 3.34Å; D1043-K1047 PolarHBondContact OD2-N 3.46Å; D1043-R1048 WeakPolarHBondContact OD2-CG 3.43Å; D1043-R1048 PolarHBondContact OD2-N 3.44Å; D1043-F1049 HydrophobicContact CB-CD2 4.31Å; D1043-F1049 HydrophobicContact CB-CE2 4.01Å
1044A86.7Confident91.4Very high70 Ų7047.5 Ų47.558%0.57924%0.241SC*.THydrogen-bonded Turntrans-61.3-20.4-179.500000113.4C1040C1040-A1044 WeakPolarHBondContact O-CA 3.29Å; C1040-A1044 PolarHBondContact O-N 3.44Å
1045T86.8Confident91.5Very high64 Ų6448.5 Ų48.539%0.39325%0.245SC..THydrogen-bonded Turntrans-93.2-3.4174.767.10000113.2D1043 K1047D1043-T1045 PolarHBondContact O-N 3.05Å; D1043-T1045 VanDerWaalsContact O-N 3.1Å; D1043-T1045 WeakPolarHBondContact OD1-CA 3.38Å; D1043-T1045 WeakPolarHBondContact OD1-CB 3.46Å; D1043-T1045 PolarHBondContact OD1-N 3.05Å; D1043-T1045 PolarHBondContact OD1-OG1 3.26Å; T1045-K1047 PolarHBondContact O-N 3.01Å; T1045-K1047 WeakPolarHBondContact OG1-CD 3.18Å; T1045-K1047 VanDerWaalsContact OG1-CG 3.26Å; T1045-K1047 WeakPolarHBondContact OG1-CG 3.12Å
1046L88.9Confident91.6Very high3 Ų351.7 Ų51.72%0.01626%0.258CS..  trans52.210.3-173.4-62.4175.1000114.9L993 K995 F1023 L1036 A1039 D1043 R1048 F1049L993-L1046 HydrophobicContact CD1-CD1 3.84Å; L993-L1046 HydrophobicContact CD1-CG 4.2Å; K995-L1046 WeakPolarHBondContact CE-O 3.32Å; K995-L1046 PolarHBondContact NZ-O 3.24Å; F1023-L1046 HydrophobicContact CD1-CD1 4.02Å; F1023-L1046 HydrophobicContact CD1-CD2 4.23Å; F1023-L1046 HydrophobicContact CE1-CD1 3.7Å; L1036-L1046 HydrophobicContact CD1-CD1 4.18Å; A1039-L1046 HydrophobicContact CB-CD2 3.46Å; A1039-L1046 VanDerWaalsContact CB-CD2 3.46Å; D1043-L1046 WeakPolarHBondContact O-CA 3.48Å; D1043-L1046 PolarHBondContact O-N 3.43Å; D1043-L1046 PolarHBondContact OD1-N 2.8Å; L1046-R1048 PolarHBondContact O-N 3.11Å; L1046-R1048 VanDerWaalsContact O-N 3.08Å; L1046-F1049 HydrophobicContact CD2-CD2 4.03Å; L1046-F1049 PolarHBondContact O-N 3.19Å
1047K88.2Confident91.8Very high161 Ų16152.1 Ų52.170%0.726%0.26SS*.THydrogen-bonded Turntrans-49.8-42.2-172.5-81.3174.2-174178.30112.6K995 D1043 T1045 F1049K995-K1047 PolarHBondContact NZ-O 2.8Å; D1043-K1047 WeakPolarHBondContact OD2-CA 3.34Å; D1043-K1047 PolarHBondContact OD2-N 3.46Å; T1045-K1047 PolarHBondContact O-N 3.01Å; T1045-K1047 WeakPolarHBondContact OG1-CD 3.18Å; T1045-K1047 VanDerWaalsContact OG1-CG 3.26Å; T1045-K1047 WeakPolarHBondContact OG1-CG 3.12Å; K1047-F1049 VanDerWaalsContact C-N 3.3Å; K1047-F1049 PolarHBondContact O-N 3.18Å
1048R90.5Very high92Very high164 Ų16457.4 Ų57.462%0.61928%0.28SS*.THydrogen-bonded Turntrans-70.7-15.7179.3-63.217665.7-171.71115.4L1025 D1043 L1046L1025-R1048 HydrophobicContact CD1-CB 3.98Å; L1025-R1048 WeakPolarHBondContact CD1-O 3.42Å; D1043-R1048 WeakPolarHBondContact OD2-CG 3.43Å; D1043-R1048 PolarHBondContact OD2-N 3.44Å; L1046-R1048 PolarHBondContact O-N 3.11Å; L1046-R1048 VanDerWaalsContact O-N 3.08Å
1049F92.8Very high92.2Very high7 Ų760 Ų603%0.03129%0.293CS..  trans-96.1140-176.4-67-93.3000112.5K995 F1023 V1024 L1025 H1034 A1039 M1042 D1043 L1046 K1047K995-F1049 PolarHBondContact NZ-O 3.09Å; F1023-F1049 HydrophobicContact CB-CD1 4.15Å; V1024-F1049 WeakPolarHBondContact O-CA 3.44Å; L1025-F1049 HydrophobicContact CB-CD1 4.03Å; L1025-F1049 HydrophobicContact CB-CE1 3.79Å; H1034-F1049 HydrophobicContact CB-CE1 4.13Å; H1034-F1049 AromaticContact CE1-CE1 3.98Å; H1034-F1049 AromaticContact CG-CE1 3.73Å; H1034-F1049 AromaticContact ND1-CE1 3.68Å; A1039-F1049 HydrophobicContact CB-CD1 4.04Å; A1039-F1049 HydrophobicContact CB-CD2 4.17Å; A1039-F1049 HydrophobicContact CB-CE1 3.79Å; A1039-F1049 HydrophobicContact CB-CE2 3.93Å; A1039-F1049 HydrophobicContact CB-CG 4.23Å; A1039-F1049 HydrophobicContact CB-CZ 3.74Å; A1039-F1049 WeakPolarHBondContact O-CE2 3.11Å; M1042-F1049 HydrophobicContact CB-CE2 4.25Å; M1042-F1049 HydrophobicContact CB-CZ 4.14Å; M1042-F1049 HydrophobicContact CE-CZ 4.33Å; M1042-F1049 HydrophobicContact SD-CZ 4.04Å; D1043-F1049 HydrophobicContact CB-CD2 4.31Å; D1043-F1049 HydrophobicContact CB-CE2 4.01Å; L1046-F1049 HydrophobicContact CD2-CD2 4.03Å; L1046-F1049 PolarHBondContact O-N 3.19Å; K1047-F1049 VanDerWaalsContact C-N 3.3Å; K1047-F1049 PolarHBondContact O-N 3.18Å
1050V92.6Very high92.3Very high58 Ų5860 Ų6035%0.35229%0.293SS..EExtended strand (participates in β ladder)trans-87.8137.1163.6-177.10000108V1024 L1052V1024-V1050 HydrophobicContact CB-CB 4.44Å; V1024-V1050 PolarHBondContact N-O 3.23Å; V1024-V1050 PolarHBondContact O-N 3.3Å; V1050-L1052 HydrophobicContact CG1-CD2 3.82Å; V1050-L1052 HydrophobicContact CG1-CG 4.46Å
1051L94.3Very high92.6Very high7 Ų759.9 Ų59.94%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-106.7119-179.6-169.673.3000109.7A989 K995 L997 K998 I1021 F1023A989-L1051 HydrophobicContact CB-CD1 4.44Å; A989-L1051 HydrophobicContact CB-CD2 3.66Å; K995-L1051 HydrophobicContact CB-CD2 4.33Å; L997-L1051 HydrophobicContact CB-CD2 4.34Å; L997-L1051 HydrophobicContact CD1-CB 4.41Å; L997-L1051 HydrophobicContact CD1-CD2 3.67Å; L997-L1051 HydrophobicContact CD1-CG 3.64Å; K998-L1051 PolarHBondContact N-O 3.4Å; I1021-L1051 HydrophobicContact CG2-CD1 3.67Å; I1021-L1051 HydrophobicContact CG2-CG 4.29Å; F1023-L1051 HydrophobicContact CD1-CD1 3.63Å; F1023-L1051 HydrophobicContact CD2-CD1 4.48Å; F1023-L1051 HydrophobicContact CE1-CD1 3.32Å; F1023-L1051 HydrophobicContact CE2-CD1 4.21Å; F1023-L1051 HydrophobicContact CG-CD1 4.19Å; F1023-L1051 HydrophobicContact CZ-CD1 3.63Å
1052L94.6Very high92.9Very high28 Ų2854.3 Ų54.315%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-114.4149.1178.9-51.5-178.8000111.7K998 H1000 I1021 L1022 V1024 V1050K998-L1052 HydrophobicContact CB-CD2 3.9Å; K998-L1052 CarbonylContact O-C 3.58Å; K998-L1052 WeakPolarHBondContact O-CA 3.37Å; H1000-L1052 HydrophobicContact CB-CB 4.19Å; H1000-L1052 HydrophobicContact CB-CD1 4.08Å; H1000-L1052 HydrophobicContact CB-CD2 4.47Å; H1000-L1052 HydrophobicContact CB-CG 4.49Å; I1021-L1052 CarbonylContact C-O 3.51Å; I1021-L1052 VanDerWaalsContact CA-O 3.32Å; I1021-L1052 WeakPolarHBondContact CA-O 3.37Å; L1022-L1052 HydrophobicContact CB-CB 4.23Å; L1022-L1052 PolarHBondContact N-O 3.43Å; L1022-L1052 PolarHBondContact O-N 3.07Å; V1024-L1052 HydrophobicContact CG2-CD1 3.82Å; V1024-L1052 HydrophobicContact CG2-CG 4.14Å; V1050-L1052 HydrophobicContact CG1-CD2 3.82Å; V1050-L1052 HydrophobicContact CG1-CG 4.46Å
1053N95.4Very high93.1Very high9 Ų951.8 Ų51.85%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-119.7131.8162.569.9-68.6000112.2L997 K998 H999 H1000 N1020 Y1055L997-N1053 HydrophobicContact CD1-CB 4.03Å; L997-N1053 HydrophobicContact CD2-CB 4.16Å; L997-N1053 WeakPolarHBondContact CD2-OD1 3.35Å; L997-N1053 HydrophobicContact CG-CB 4.35Å; L997-N1053 WeakPolarHBondContact CG-OD1 3.24Å; K998-N1053 PolarHBondContact O-N 3.4Å; K998-N1053 PolarHBondContact O-OD1 3.34Å; H999-N1053 VanDerWaalsContact CA-OD1 3.31Å; H999-N1053 WeakPolarHBondContact CA-OD1 3.24Å; H999-N1053 PolarHBondContact ND1-ND2 3.2Å; H999-N1053 PolarHBondContact ND1-O 3.49Å; H1000-N1053 PolarHBondContact N-O 2.91Å; N1020-N1053 CarbonylContact O-C 3.42Å; N1020-N1053 WeakPolarHBondContact O-CA 3.41Å; N1053-Y1055 PolarHBondContact ND2-O 3.01Å
1054Q94.2Very high93.4Very high3 Ų350.7 Ų50.71%0.01426%0.257CS..SBendtrans-76.7-28175.3-74.8-168.8-38.800114.2H999 H1000 R1002 E1006 H1009 N1020 L1022H999-Q1054 PolarHBondContact CE1-O 3.31Å; H1000-Q1054 WeakPolarHBondContact O-CA 3.07Å; R1002-Q1054 HydrophobicContact CB-CB 4.38Å; R1002-Q1054 HydrophobicContact CB-CG 4.4Å; E1006-Q1054 PolarHBondContact OE1-NE2 3.24Å; H1009-Q1054 PolarHBondContact CD2-NE2 3.39Å; H1009-Q1054 VanDerWaalsContact CD2-NE2 3.33Å; H1009-Q1054 PolarHBondContact NE2-NE2 3.43Å; N1020-Q1054 PolarHBondContact O-N 3.07Å; N1020-Q1054 PolarHBondContact OD1-N 3.07Å; N1020-Q1054 VanDerWaalsContact OD1-N 3.11Å; L1022-Q1054 HydrophobicContact CD1-CG 4.29Å
1055Y94.8Very high93.8Very high26 Ų2650 Ų5010%0.10224%0.243CC..SBendtrans-134.9145.2-179.8-57.4-60.7000110.1R1002 F1019 N1020 N1053 L1060R1002-Y1055 HydrophobicContact CB-CE1 4.47Å; R1002-Y1055 VanDerWaalsContact CD-OH 3.3Å; R1002-Y1055 WeakPolarHBondContact CD-OH 3.41Å; F1019-Y1055 HydrophobicContact CE2-CD2 4.35Å; F1019-Y1055 HydrophobicContact CE2-CE2 4.03Å; F1019-Y1055 HydrophobicContact CZ-CD2 4.01Å; F1019-Y1055 HydrophobicContact CZ-CE2 4.12Å; N1020-Y1055 PolarHBondContact OD1-N 2.62Å; N1020-Y1055 PolarHBondContact OD1-O 2.88Å; N1053-Y1055 PolarHBondContact ND2-O 3.01Å; Y1055-L1060 HydrophobicContact CD2-CD2 4.11Å; Y1055-L1060 HydrophobicContact CG-CD2 4.19Å
1056H95.5Very high94.2Very high85 Ų8552.6 Ų52.639%0.39426%0.255SS..  trans-75.1147169.7-64.5-68.9000109.8H999 K1058 D1059 L1060H999-H1056 AromaticContact CD2-CE1 3.55Å; H999-H1056 AromaticContact CD2-NE2 3.22Å; H999-H1056 PolarHBondContact CD2-NE2 2.89Å; H999-H1056 AromaticContact CG-CE1 3.59Å; H999-H1056 AromaticContact CG-NE2 3.75Å; H999-H1056 AromaticContact NE2-CD2 3.85Å; H999-H1056 AromaticContact NE2-NE2 3.53Å; H1056-K1058 PolarHBondContact O-N 2.92Å; H1056-K1058 VanDerWaalsContact O-N 3.16Å; H1056-D1059 WeakPolarHBondContact CB-OD2 3.39Å; H1056-D1059 IonicContact CD2-OD2 3.39Å; H1056-D1059 IonicContact CG-OD2 2.67Å; H1056-D1059 PolarHBondContact N-OD2 3.35Å; H1056-D1059 WeakPolarHBondContact O-CB 3.01Å; H1056-D1059 PolarHBondContact O-N 3.15Å; H1056-L1060 PolarHBondContact O-N 3.48Å
1057M94.9Very high94.4Very high27 Ų2752.8 Ų52.813%0.13326%0.256CS..Hα-helixtrans-58.7-30.5179.1-65.8-60.5-70.400112.4I566 L979 C982 Q983 L986 D1059 L1060 I1061I566-M1057 HydrophobicContact CD1-CE 3.83Å; L979-M1057 HydrophobicContact CD1-CE 3.78Å; C982-M1057 HydrophobicContact CB-CE 3.76Å; C982-M1057 HydrophobicContact CB-SD 3.71Å; Q983-M1057 HydrophobicContact CB-CE 4.02Å; L986-M1057 HydrophobicContact CD1-CG 3.64Å; L986-M1057 HydrophobicContact CD1-SD 4Å; M1057-D1059 VanDerWaalsContact C-N 3.32Å; M1057-D1059 PolarHBondContact O-N 3.41Å; M1057-L1060 PolarHBondContact O-N 3.47Å; M1057-L1060 HydrophobicContact SD-CD1 4.18Å; M1057-I1061 WeakPolarHBondContact O-CB 3.26Å; M1057-I1061 WeakPolarHBondContact O-CD1 3.44Å; M1057-I1061 VanDerWaalsContact O-CG1 3.23Å; M1057-I1061 WeakPolarHBondContact O-CG1 3.48Å; M1057-I1061 PolarHBondContact O-N 3.2Å
1058K95.2Very high94.6Very high169 Ų16949.3 Ų49.374%0.73525%0.248SC*.Hα-helixtrans-61.3-38.2173.9-65.6-173.3177.2-175.30112.8H1056 S1062H1056-K1058 PolarHBondContact O-N 2.92Å; H1056-K1058 VanDerWaalsContact O-N 3.16Å; K1058-S1062 WeakPolarHBondContact O-CB 3.13Å; K1058-S1062 PolarHBondContact O-N 3.46Å
1059D94.7Very high94.5Very high70 Ų7044.1 Ų44.137%0.37423%0.232SC..Hα-helixtrans-70.8-39.5179.9-40.8-31.8000110.1H1056 M1057 S1062 V1063H1056-D1059 WeakPolarHBondContact CB-OD2 3.39Å; H1056-D1059 IonicContact CD2-OD2 3.39Å; H1056-D1059 IonicContact CG-OD2 2.67Å; H1056-D1059 PolarHBondContact N-OD2 3.35Å; H1056-D1059 WeakPolarHBondContact O-CB 3.01Å; H1056-D1059 PolarHBondContact O-N 3.15Å; M1057-D1059 VanDerWaalsContact C-N 3.32Å; M1057-D1059 PolarHBondContact O-N 3.41Å; D1059-S1062 PolarHBondContact O-N 3.32Å; D1059-V1063 WeakPolarHBondContact O-CB 3.2Å; D1059-V1063 VanDerWaalsContact O-CG2 3.28Å; D1059-V1063 WeakPolarHBondContact O-CG2 3.28Å; D1059-V1063 PolarHBondContact O-N 3.46Å
1060L96.4Very high94Very high0 Ų047.1 Ų47.10%025%0.251CS..Hα-helixtrans-67.1-41.3175.6-61.3-177.9000112W954 L979 F1019 Y1055 H1056 M1057 V1063 Y1064W954-L1060 HydrophobicContact CD2-CD2 4.04Å; W954-L1060 HydrophobicContact CE3-CD2 3.88Å; W954-L1060 HydrophobicContact CH2-CB 3.76Å; W954-L1060 HydrophobicContact CH2-CD2 4.2Å; W954-L1060 HydrophobicContact CH2-CG 4.47Å; W954-L1060 WeakPolarHBondContact CH2-O 3.28Å; W954-L1060 HydrophobicContact CZ2-CB 4.32Å; W954-L1060 HydrophobicContact CZ2-CD2 4.34Å; W954-L1060 HydrophobicContact CZ3-CB 4.02Å; W954-L1060 HydrophobicContact CZ3-CD2 3.98Å; W954-L1060 VanDerWaalsContact CZ3-O 3.23Å; W954-L1060 WeakPolarHBondContact CZ3-O 3.26Å; L979-L1060 HydrophobicContact CD1-CB 3.82Å; F1019-L1060 HydrophobicContact CE1-CD1 4.37Å; F1019-L1060 HydrophobicContact CZ-CD2 4.31Å; Y1055-L1060 HydrophobicContact CD2-CD2 4.11Å; Y1055-L1060 HydrophobicContact CG-CD2 4.19Å; H1056-L1060 PolarHBondContact O-N 3.48Å; M1057-L1060 PolarHBondContact O-N 3.47Å; M1057-L1060 HydrophobicContact SD-CD1 4.18Å; L1060-V1063 PolarHBondContact O-N 2.88Å; L1060-Y1064 VanDerWaalsContact O-CB 3.28Å; L1060-Y1064 WeakPolarHBondContact O-CB 3.3Å; L1060-Y1064 PolarHBondContact O-N 3.38Å
1061I96.7Very high92.9Very high26 Ų2650.2 Ų50.213%0.13327%0.27CS..Hα-helixtrans-58.2-52.9171.5-71.2163.3000110E563 I566 L979 M1057 V1063 Y1064 D1065E563-I1061 HydrophobicContact CG-CG2 4.12Å; I566-I1061 HydrophobicContact CD1-CD1 4.5Å; I566-I1061 HydrophobicContact CG1-CD1 3.8Å; I566-I1061 HydrophobicContact CG1-CG1 4.36Å; L979-I1061 HydrophobicContact CD1-CG1 4.19Å; L979-I1061 HydrophobicContact CD2-CG1 4.27Å; M1057-I1061 WeakPolarHBondContact O-CB 3.26Å; M1057-I1061 WeakPolarHBondContact O-CD1 3.44Å; M1057-I1061 VanDerWaalsContact O-CG1 3.23Å; M1057-I1061 WeakPolarHBondContact O-CG1 3.48Å; M1057-I1061 PolarHBondContact O-N 3.2Å; I1061-V1063 VanDerWaalsContact C-N 3.35Å; I1061-V1063 PolarHBondContact O-N 2.9Å; I1061-Y1064 PolarHBondContact O-N 3.26Å; I1061-Y1064 VanDerWaalsContact O-N 3.12Å; I1061-D1065 WeakPolarHBondContact CG2-OD2 3.19Å; I1061-D1065 PolarHBondContact O-N 3.08Å
1062S96.4Very high91Very high63 Ų6354.7 Ų54.744%0.44129%0.289SS..Hα-helixtrans-56.3-45.4179.4-1780000112.5K1058 D1059 N1066K1058-S1062 WeakPolarHBondContact O-CB 3.13Å; K1058-S1062 PolarHBondContact O-N 3.46Å; D1059-S1062 PolarHBondContact O-N 3.32Å; S1062-N1066 WeakPolarHBondContact O-CB 3.43Å; S1062-N1066 PolarHBondContact O-N 3.39Å; S1062-N1066 PolarHBondContact O-ND2 2.89Å
1063V95.7Very high88.5Confident25 Ų2561.8 Ų61.815%0.15232%0.319CS..Hα-helixtrans-64.8-42.5176.7168.60000111.7W954 A957 R958 D1059 L1060 I1061 F1067W954-V1063 HydrophobicContact CE3-CB 4.37Å; W954-V1063 HydrophobicContact CE3-CG1 3.83Å; W954-V1063 HydrophobicContact CZ3-CB 4.13Å; W954-V1063 HydrophobicContact CZ3-CG1 3.95Å; A957-V1063 HydrophobicContact CB-CG1 3.87Å; R958-V1063 HydrophobicContact CG-CB 4.38Å; R958-V1063 HydrophobicContact CG-CG1 3.65Å; R958-V1063 HydrophobicContact CG-CG2 3.74Å; D1059-V1063 WeakPolarHBondContact O-CB 3.2Å; D1059-V1063 VanDerWaalsContact O-CG2 3.28Å; D1059-V1063 WeakPolarHBondContact O-CG2 3.28Å; D1059-V1063 PolarHBondContact O-N 3.46Å; L1060-V1063 PolarHBondContact O-N 2.88Å; I1061-V1063 VanDerWaalsContact C-N 3.35Å; I1061-V1063 PolarHBondContact O-N 2.9Å; V1063-F1067 WeakPolarHBondContact O-CB 3.38Å; V1063-F1067 PolarHBondContact O-N 3.3Å; V1063-F1067 VanDerWaalsContact O-N 3.14Å
1064Y96.5Very high85.5Confident0 Ų072 Ų720%036%0.362CS..Hα-helixtrans-66.4-41.4179.5170.2-98.7000112.8T560 R972 L975 I976 L979 L1060 I1061 F1067T560-Y1064 VanDerWaalsContact O-CE1 3.26Å; T560-Y1064 WeakPolarHBondContact O-CE1 3.48Å; T560-Y1064 PolarHBondContact O-OH 2.91Å; R972-Y1064 HydrophobicContact CG-CE2 3.83Å; R972-Y1064 PolarHBondContact NH1-O 2.77Å; R972-Y1064 VanDerWaalsContact NH2-CE1 3.32Å; R972-Y1064 PolarHBondContact NH2-OH 3.09Å; L975-Y1064 HydrophobicContact CB-CD2 3.72Å; L975-Y1064 HydrophobicContact CB-CE2 4.24Å; L975-Y1064 HydrophobicContact CD1-CD2 4.24Å; I976-Y1064 HydrophobicContact CB-CE2 3.86Å; I976-Y1064 WeakPolarHBondContact CD1-OH 3.35Å; I976-Y1064 HydrophobicContact CG1-CE2 4.31Å; L979-Y1064 HydrophobicContact CD2-CD1 4.28Å; L979-Y1064 HydrophobicContact CD2-CG 4.39Å; L1060-Y1064 VanDerWaalsContact O-CB 3.28Å; L1060-Y1064 WeakPolarHBondContact O-CB 3.3Å; L1060-Y1064 PolarHBondContact O-N 3.38Å; I1061-Y1064 PolarHBondContact O-N 3.26Å; I1061-Y1064 VanDerWaalsContact O-N 3.12Å; Y1064-F1067 WeakPolarHBondContact O-CB 3.27Å; Y1064-F1067 PolarHBondContact O-N 2.99Å
1065D95.4Very high82.7Confident55 Ų5575.6 Ų75.629%0.29440%0.401SS..Hα-helixtrans-75.4-30.9-179.6-71.2-38.5000112.5S561 G562 I1061 F1067S561-D1065 VanDerWaalsContact CA-OD1 3.26Å; S561-D1065 WeakPolarHBondContact CA-OD1 3.4Å; G562-D1065 VanDerWaalsContact N-CG 3.32Å; G562-D1065 PolarHBondContact N-OD1 3.43Å; G562-D1065 PolarHBondContact N-OD2 2.69Å; I1061-D1065 WeakPolarHBondContact CG2-OD2 3.19Å; I1061-D1065 PolarHBondContact O-N 3.08Å; D1065-F1067 VanDerWaalsContact C-N 3.28Å; D1065-F1067 PolarHBondContact O-N 3.06Å
1066N93.9Very high79.6Confident119 Ų11979.2 Ų79.264%0.63642%0.42SS*.Hα-helixtrans-71.8-18.6169.6-76.6-68.5000113.3S1062 T1068S1062-N1066 WeakPolarHBondContact O-CB 3.43Å; S1062-N1066 PolarHBondContact O-N 3.39Å; S1062-N1066 PolarHBondContact O-ND2 2.89Å; N1066-T1068 VanDerWaalsContact C-N 3.33Å; N1066-T1068 PolarHBondContact O-N 3.36Å; N1066-T1068 PolarHBondContact O-OG1 3.46Å
1067F93.8Very high76.6Confident6 Ų682.2 Ų82.23%0.02644%0.437CS..  trans-73.479.1-177.5-171.9-113.1000113.4A957 F962 H968 I971 R972 L975 V1063 Y1064 D1065A957-F1067 VanDerWaalsContact CA-CD2 3.47Å; A957-F1067 HydrophobicContact CB-CB 4.4Å; A957-F1067 HydrophobicContact CB-CD2 3.78Å; A957-F1067 HydrophobicContact CB-CE2 4.2Å; A957-F1067 HydrophobicContact CB-CG 4.06Å; F962-F1067 AromaticContact CD2-CE2 3.48Å; F962-F1067 HydrophobicContact CD2-CE2 3.48Å; F962-F1067 VanDerWaalsContact CD2-CE2 3.48Å; F962-F1067 AromaticContact CD2-CZ 3.62Å; F962-F1067 HydrophobicContact CD2-CZ 3.62Å; F962-F1067 AromaticContact CE2-CE2 3.67Å; F962-F1067 HydrophobicContact CE2-CE2 3.67Å; F962-F1067 AromaticContact CE2-CZ 3.88Å; F962-F1067 HydrophobicContact CE2-CZ 3.88Å; F962-F1067 HydrophobicContact CG-CZ 4.49Å; H968-F1067 AromaticContact CD2-CD1 3.87Å; H968-F1067 AromaticContact CD2-CE1 3.38Å; H968-F1067 WeakPolarHBondContact CD2-CE1 3.3Å; H968-F1067 AromaticContact CD2-CZ 3.64Å; H968-F1067 AromaticContact NE2-CD1 3.19Å; H968-F1067 WeakPolarHBondContact NE2-CD1 3.44Å; H968-F1067 AromaticContact NE2-CE1 3.54Å; H968-F1067 AromaticContact NE2-CG 3.65Å; H968-F1067 PolarHBondContact NE2-O 3.35Å; I971-F1067 HydrophobicContact CB-CE1 3.96Å; I971-F1067 HydrophobicContact CB-CZ 3.89Å; I971-F1067 HydrophobicContact CD1-CZ 4.42Å; I971-F1067 HydrophobicContact CG2-CE1 3.67Å; I971-F1067 HydrophobicContact CG2-CE2 4.39Å; I971-F1067 HydrophobicContact CG2-CZ 3.55Å; R972-F1067 HydrophobicContact CB-CD1 4.1Å; R972-F1067 HydrophobicContact CB-CE1 4.06Å; R972-F1067 HydrophobicContact CG-CD1 4.37Å; R972-F1067 PolarHBondContact NH1-O 3.15Å; L975-F1067 HydrophobicContact CD1-CB 4.24Å; L975-F1067 HydrophobicContact CD1-CD1 3.56Å; L975-F1067 HydrophobicContact CD1-CE1 4.09Å; L975-F1067 HydrophobicContact CD1-CG 3.92Å; V1063-F1067 WeakPolarHBondContact O-CB 3.38Å; V1063-F1067 PolarHBondContact O-N 3.3Å; V1063-F1067 VanDerWaalsContact O-N 3.14Å; Y1064-F1067 WeakPolarHBondContact O-CB 3.27Å; Y1064-F1067 PolarHBondContact O-N 2.99Å; D1065-F1067 VanDerWaalsContact C-N 3.28Å; D1065-F1067 PolarHBondContact O-N 3.06Å
1068T91.3Very high73.6Confident89 Ų8983.5 Ų83.555%0.54645%0.448SS..  trans-112.4149.9-171.950.20000112.7H968 N1066H968-T1068 VanDerWaalsContact NE2-C 3.32Å; H968-T1068 WeakPolarHBondContact NE2-CA 3.41Å; H968-T1068 PolarHBondContact NE2-N 3.1Å; H968-T1068 VanDerWaalsContact NE2-N 3.13Å; N1066-T1068 VanDerWaalsContact C-N 3.33Å; N1066-T1068 PolarHBondContact O-N 3.36Å; N1066-T1068 PolarHBondContact O-OG1 3.46Å
1069L89.1Confident72.5Confident55 Ų5579.2 Ų79.229%0.28843%0.434SS..  trans-76.1125.4179.3179.164.9000110.7Q965 H968 V1071Q965-L1069 HydrophobicContact CB-CD2 3.95Å; Q965-L1069 HydrophobicContact CG-CD2 4.08Å; H968-L1069 HydrophobicContact CB-CD1 3.89Å; L1069-V1071 PolarHBondContact O-N 3.16Å
1070V83.6Confident71.3Confident69 Ų6979.7 Ų79.742%0.41844%0.437SS..  trans-82.2102.1176.4-178.60000110.1R961 F962 K1072R961-V1070 HydrophobicContact CB-CG2 3.94Å; F962-V1070 WeakPolarHBondContact O-CB 3.19Å; F962-V1070 PolarHBondContact O-N 3.07Å; V1070-K1072 PolarHBondContact O-N 2.8Å; V1070-K1072 VanDerWaalsContact O-N 3.13Å
1071V67.8Low69.9Low124 Ų12484.1 Ų84.175%0.75246%0.461SS*.  trans-65.5109.4176.1-176.90000110.3L1069 K1073L1069-V1071 PolarHBondContact O-N 3.16Å; V1071-K1073 PolarHBondContact O-N 3.41Å
1072K54.5Low68.4Low100 Ų10087.5 Ų87.544%0.43548%0.481SS..  trans-57.2119.9170.8-69.6-179.7-180173.20109.6S963 V1070 K1074S963-K1072 WeakPolarHBondContact OG-CE 3.35Å; V1070-K1072 PolarHBondContact O-N 2.8Å; V1070-K1072 VanDerWaalsContact O-N 3.13Å; K1072-K1074 PolarHBondContact O-N 2.96Å
1073K42.4Very low66.6Low177 Ų17789.1 Ų89.177%0.7748%0.483SS*.  trans-61.3131.6166.5-76.1-177.2176.9177.80108.4V1071 G1075 M1076V1071-K1073 PolarHBondContact O-N 3.41Å; K1073-G1075 PolarHBondContact O-N 3.23Å; K1073-M1076 PolarHBondContact O-N 3.03Å; K1073-M1076 VanDerWaalsContact O-N 3.15Å
1074K32Very low64.7Low223 Ų22393.3 Ų93.397%0.9751%0.505SS*.THydrogen-bonded Turntrans-53.7109.9175.2-73.6-175.8176-179.20109.5K1072K1072-K1074 PolarHBondContact O-N 2.96Å
1075G35.8Very low62.4Low80 Ų80100 Ų10083%0.82554%0.541SS*.THydrogen-bonded Turntrans139.8-31.2-173.500000113.2K1073K1073-G1075 PolarHBondContact O-N 3.23Å
1076M30.2Very low59.8Low102 Ų102103.5 Ų103.550%0.50256%0.56SS.*  trans-94.6106.1174.1-66.5179.673.400111L496 I498 K1073L496-M1076 HydrophobicContact CD2-CE 4.35Å; I498-M1076 HydrophobicContact CD1-CE 4.37Å; K1073-M1076 PolarHBondContact O-N 3.03Å; K1073-M1076 VanDerWaalsContact O-N 3.15Å
1077I31.3Very low57Low147 Ų147102.2 Ų102.275%0.75455%0.554SS**  trans-74.2156.7155.9-57.3175.9000107.2
1078C32.3Very low53.7Low54 Ų54110.9 Ų110.937%0.36560%0.602SS.*  trans-147.20177.1164.90000105.5F495 L496F495-C1078 VanDerWaalsContact CE1-SG 3.59Å; F495-C1078 PolarHBondContact O-SG 3.02Å; L496-C1078 HydrophobicContact CD2-CB 4.32Å

Retrieved 1,078 of 1,078 residues in 2342.6 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).