A0A5K4EZM8_SCHMA Loading...

Centromere/kinetochore protein zw10 homolog

AlphaFold DB , UniProt , Accession A0A5K4EZM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,090 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
1M58.9Low70.4Confident64 Ų6467 Ų6732%0.31538%0.382SS..  0-77.60-92.6-172.6-159.600115S3 E4 V5 V56 S57 V61M1-S3 PolarHBondContact O-N 3.34Å; M1-S3 VanDerWaalsContact O-N 3.16Å; M1-E4 VanDerWaalsContact CA-OE2 3.22Å; M1-E4 WeakPolarHBondContact CA-OE2 3.5Å; M1-E4 PolarHBondContact N-OE2 3.49Å; M1-E4 PolarHBondContact O-N 2.78Å; M1-V5 WeakPolarHBondContact O-CG2 3.47Å; M1-V5 PolarHBondContact O-N 3.38Å; M1-V56 HydrophobicContact CE-CB 4.21Å; M1-V56 HydrophobicContact CE-CG1 3.8Å; M1-S57 VanDerWaalsContact CE-CB 3.5Å; M1-S57 VanDerWaalsContact CE-N 3.3Å; M1-V61 HydrophobicContact CE-CG2 3.74Å; M1-V61 HydrophobicContact SD-CG2 3.86Å
2A61.4Low70.6Confident68 Ų6861.9 Ų61.956%0.56235%0.353SS*.Hα-helixtrans-56.6-38-172.700000113.3S6A2-S6 WeakPolarHBondContact O-CB 3.46Å; A2-S6 PolarHBondContact O-N 3.25Å; A2-S6 PolarHBondContact O-OG 2.93Å
3S68.2Low71Confident92 Ų9263.5 Ų63.564%0.64336%0.359SS*.Hα-helixtrans-68.5-40173.564.80000113.4M1 S6 S7M1-S3 PolarHBondContact O-N 3.34Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-S6 PolarHBondContact O-N 3.47Å; S3-S7 PolarHBondContact O-N 3.11Å
4E69.7Low71.7Confident104 Ų10463.3 Ų63.349%0.48636%0.363SS..Hα-helixtrans-67.5-43.6179.7-68.4160.5158.600111.6M1 S6 S7 L8 I53M1-E4 VanDerWaalsContact CA-OE2 3.22Å; M1-E4 WeakPolarHBondContact CA-OE2 3.5Å; M1-E4 PolarHBondContact N-OE2 3.49Å; M1-E4 PolarHBondContact O-N 2.78Å; E4-S6 VanDerWaalsContact C-N 3.31Å; E4-S6 PolarHBondContact O-N 3.21Å; E4-S7 WeakPolarHBondContact O-CB 3.44Å; E4-S7 PolarHBondContact O-N 3.23Å; E4-L8 PolarHBondContact O-N 3.21Å; E4-I53 HydrophobicContact CB-CD1 4.13Å
5V66.8Low71.8Confident2 Ų259.1 Ų59.11%0.01234%0.339CS..Hα-helixtrans-61.9-41.3175.1176.60000110.6M1 S7 L8 R9 I53 Q92 L93M1-V5 WeakPolarHBondContact O-CG2 3.47Å; M1-V5 PolarHBondContact O-N 3.38Å; V5-S7 VanDerWaalsContact C-N 3.35Å; V5-S7 PolarHBondContact O-N 2.98Å; V5-L8 PolarHBondContact O-N 3.41Å; V5-R9 WeakPolarHBondContact O-CB 3.31Å; V5-R9 PolarHBondContact O-N 3.06Å; V5-I53 HydrophobicContact CG2-CG2 4.02Å; V5-Q92 HydrophobicContact CG1-CB 3.81Å; V5-L93 HydrophobicContact CG2-CD1 4.35Å; V5-L93 HydrophobicContact CG2-CD2 4.18Å; V5-L93 HydrophobicContact CG2-CG 4.14Å
6S71.4Confident72Confident60 Ų6058.1 Ų58.142%0.4233%0.33SS..Hα-helixtrans-63.8-39.1175.9-58.40000112.2A2 S3 E4 L10A2-S6 WeakPolarHBondContact O-CB 3.46Å; A2-S6 PolarHBondContact O-N 3.25Å; A2-S6 PolarHBondContact O-OG 2.93Å; S3-S6 PolarHBondContact O-N 3.47Å; E4-S6 VanDerWaalsContact C-N 3.31Å; E4-S6 PolarHBondContact O-N 3.21Å; S6-L10 PolarHBondContact O-N 3.42Å
7S76.5Confident72.5Confident60 Ų6059.5 Ų59.542%0.4234%0.344SS..Hα-helixtrans-66.2-46175.8-166.70000111.8S3 E4 V5 R9 L10 E11S3-S7 PolarHBondContact O-N 3.11Å; E4-S7 WeakPolarHBondContact O-CB 3.44Å; E4-S7 PolarHBondContact O-N 3.23Å; V5-S7 VanDerWaalsContact C-N 3.35Å; V5-S7 PolarHBondContact O-N 2.98Å; S7-R9 VanDerWaalsContact C-N 3.27Å; S7-R9 PolarHBondContact O-N 3.45Å; S7-L10 PolarHBondContact O-N 3.38Å; S7-E11 PolarHBondContact O-N 3.32Å; S7-E11 VanDerWaalsContact O-N 3.09Å
8L73Confident72.8Confident9 Ų960.2 Ų60.25%0.04734%0.342CS..Hα-helixtrans-59.4-39.8177.6-16486.6000111.3E4 V5 L10 E11 L12 K49 A50 I53 L93 L96E4-L8 PolarHBondContact O-N 3.21Å; V5-L8 PolarHBondContact O-N 3.41Å; L8-L10 PolarHBondContact O-N 2.85Å; L8-E11 PolarHBondContact O-N 3.35Å; L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 PolarHBondContact O-N 3.21Å; L8-K49 HydrophobicContact CD1-CB 3.55Å; L8-K49 HydrophobicContact CD1-CD 4.23Å; L8-A50 HydrophobicContact CD2-CB 3.69Å; L8-I53 HydrophobicContact CB-CD1 4.39Å; L8-I53 HydrophobicContact CD1-CD1 4.27Å; L8-I53 HydrophobicContact CD2-CD1 4.31Å; L8-L93 HydrophobicContact CD2-CD2 4.14Å; L8-L96 HydrophobicContact CB-CD1 4.23Å; L8-L96 HydrophobicContact CD2-CD1 3.74Å; L8-L96 HydrophobicContact CG-CD1 4.28Å
9R72.4Confident72.9Confident82 Ų8257.1 Ų57.131%0.30933%0.325SS..Hα-helixtrans-60.2-43.4176-177.1172.2-171.8122.711.5112.7V5 S7 L13 E95 L96V5-R9 WeakPolarHBondContact O-CB 3.31Å; V5-R9 PolarHBondContact O-N 3.06Å; S7-R9 VanDerWaalsContact C-N 3.27Å; S7-R9 PolarHBondContact O-N 3.45Å; R9-L13 HydrophobicContact CG-CD1 4.06Å; R9-L13 WeakPolarHBondContact O-CB 3.42Å; R9-L13 WeakPolarHBondContact O-CD1 3.46Å; R9-L13 VanDerWaalsContact O-CG 3.24Å; R9-L13 WeakPolarHBondContact O-CG 3.43Å; R9-L13 PolarHBondContact O-N 2.78Å; R9-E95 IonicContact CZ-OE1 3.23Å; R9-E95 IonicContact CZ-OE2 2.9Å; R9-E95 IonicContact NH1-OE1 2.89Å; R9-E95 IonicContact NH1-OE2 2.65Å; R9-E95 PolarHBondContact NH1-OE2 3.34Å; R9-E95 IonicContact NH2-OE1 2.77Å; R9-E95 PolarHBondContact NH2-OE1 3.06Å; R9-E95 IonicContact NH2-OE2 3.84Å; R9-E95 PolarHBondContact NH2-OE2 3.2Å; R9-L96 HydrophobicContact CB-CD1 4.08Å; R9-L96 HydrophobicContact CB-CD2 3.9Å; R9-L96 HydrophobicContact CG-CD2 4Å
10L77.7Confident72.9Confident126 Ų12655 Ų5566%0.6631%0.313SS*.Hα-helixtrans-65.5-44.3177.2-85.2152.8000112.1S6 S7 L8 S14S6-L10 PolarHBondContact O-N 3.42Å; S7-L10 PolarHBondContact O-N 3.38Å; L8-L10 PolarHBondContact O-N 2.85Å; L10-S14 PolarHBondContact O-N 2.88Å; L10-S14 VanDerWaalsContact O-N 3.14Å
11E78.4Confident73.1Confident70 Ų7056.1 Ų56.133%0.32732%0.318SS..Hα-helixtrans-62.4-45177.9-68.9-178.1-172.600111.6S7 L8 S14 A15 L46 K49S7-E11 PolarHBondContact O-N 3.32Å; S7-E11 VanDerWaalsContact O-N 3.09Å; L8-E11 PolarHBondContact O-N 3.35Å; E11-S14 WeakPolarHBondContact O-CB 3.31Å; E11-S14 PolarHBondContact O-N 3.12Å; E11-A15 PolarHBondContact O-N 3.1Å; E11-L46 HydrophobicContact CB-CD2 3.64Å; E11-L46 VanDerWaalsContact OE2-CD2 3.26Å; E11-L46 WeakPolarHBondContact OE2-CD2 3.1Å; E11-K49 IonicContact OE1-NZ 3.66Å; E11-K49 PolarHBondContact OE1-NZ 3.42Å; E11-K49 IonicContact OE2-NZ 2.73Å; E11-K49 PolarHBondContact OE2-NZ 3.34Å
12L72.9Confident73.8Confident6 Ų655.9 Ų55.93%0.03131%0.314CS..Hα-helixtrans-69.5-36.7-178.9-165.969000112.9L8 S14 A15 K16 F43 L46 L96 M99 H100L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 PolarHBondContact O-N 3.21Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 2.96Å; L12-A15 PolarHBondContact O-N 3.4Å; L12-K16 WeakPolarHBondContact O-CB 3.35Å; L12-K16 PolarHBondContact O-N 2.88Å; L12-F43 HydrophobicContact CD1-CD1 4.04Å; L12-F43 HydrophobicContact CD1-CE1 3.91Å; L12-L46 HydrophobicContact CD1-CB 4.25Å; L12-L46 HydrophobicContact CD1-CD1 3.84Å; L12-L96 HydrophobicContact CB-CD2 4.3Å; L12-L96 HydrophobicContact CD2-CB 3.87Å; L12-L96 HydrophobicContact CD2-CD2 3.74Å; L12-L96 HydrophobicContact CD2-CG 4.41Å; L12-L96 WeakPolarHBondContact CD2-O 3.45Å; L12-M99 HydrophobicContact CB-CE 3.77Å; L12-M99 HydrophobicContact CD2-CB 3.89Å; L12-M99 HydrophobicContact CD2-CE 3.41Å; L12-M99 VanDerWaalsContact CD2-CE 3.41Å; L12-M99 HydrophobicContact CD2-CG 4.01Å; L12-M99 HydrophobicContact CG-CE 3.49Å; L12-M99 VanDerWaalsContact CG-CE 3.49Å; L12-M99 HydrophobicContact CG-CG 4.27Å; L12-H100 HydrophobicContact CD1-CB 4.27Å; L12-H100 HydrophobicContact CD2-CB 4.49Å
13L76Confident74.2Confident83 Ų8352.6 Ų52.644%0.43529%0.287SS..Hα-helixtrans-62.6-38.6173-76.4169.2000111.8R9 S17 M99R9-L13 HydrophobicContact CG-CD1 4.06Å; R9-L13 WeakPolarHBondContact O-CB 3.42Å; R9-L13 WeakPolarHBondContact O-CD1 3.46Å; R9-L13 VanDerWaalsContact O-CG 3.24Å; R9-L13 WeakPolarHBondContact O-CG 3.43Å; R9-L13 PolarHBondContact O-N 2.78Å; L13-S17 PolarHBondContact O-N 3.04Å; L13-M99 HydrophobicContact CD2-CE 3.91Å; L13-M99 HydrophobicContact CD2-SD 4.02Å; L13-M99 HydrophobicContact CG-CE 4Å
14S80.4Confident74.3Confident60 Ų6051.1 Ų51.142%0.4227%0.27SS..Hα-helixtrans-64.4-49.2174.8174.80000111.7L10 E11 L12 K16 S17 K18L10-S14 PolarHBondContact O-N 2.88Å; L10-S14 VanDerWaalsContact O-N 3.14Å; E11-S14 WeakPolarHBondContact O-CB 3.31Å; E11-S14 PolarHBondContact O-N 3.12Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 2.96Å; S14-K16 PolarHBondContact O-N 3.42Å; S14-S17 WeakPolarHBondContact O-CB 3.13Å; S14-S17 PolarHBondContact O-N 2.92Å; S14-S17 VanDerWaalsContact O-N 3.14Å; S14-K18 PolarHBondContact O-N 2.79Å
15A73.4Confident74.2Confident0 Ų048.3 Ų48.30%026%0.259CS..Hα-helixtrans-60.6-43.4177.600000112.2E11 L12 S17 K18 L19 F43 L46E11-A15 PolarHBondContact O-N 3.1Å; L12-A15 PolarHBondContact O-N 3.4Å; A15-S17 VanDerWaalsContact C-N 3.33Å; A15-S17 PolarHBondContact O-N 2.91Å; A15-K18 PolarHBondContact O-N 2.75Å; A15-L19 PolarHBondContact O-N 2.8Å; A15-F43 HydrophobicContact CB-CD1 4.5Å; A15-F43 HydrophobicContact CB-CE1 3.92Å; A15-F43 HydrophobicContact CB-CE2 4.44Å; A15-F43 HydrophobicContact CB-CZ 3.87Å; A15-L46 HydrophobicContact CB-CD1 3.76Å
16K75.7Confident74.1Confident43 Ų4349.9 Ų49.919%0.18727%0.266CS..Hα-helixtrans-57.4-44.7172.6178.1179.7173.9-1760111.9L12 S14 K18 L19 V20 M99 S193L12-K16 WeakPolarHBondContact O-CB 3.35Å; L12-K16 PolarHBondContact O-N 2.88Å; S14-K16 PolarHBondContact O-N 3.42Å; K16-K18 VanDerWaalsContact C-N 3.32Å; K16-K18 PolarHBondContact O-N 3.23Å; K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 PolarHBondContact O-N 2.75Å; K16-V20 WeakPolarHBondContact O-CG2 2.95Å; K16-V20 PolarHBondContact O-N 3.15Å; K16-M99 HydrophobicContact CB-SD 4.45Å; K16-M99 HydrophobicContact CD-CG 3.97Å; K16-M99 HydrophobicContact CD-SD 3.47Å; K16-M99 WeakPolarHBondContact CD-SD 3.27Å; K16-S193 PolarHBondContact NZ-OG 3.03Å
17S79.4Confident73.4Confident83 Ų8348.8 Ų48.858%0.5825%0.254SS*.Hα-helixtrans-63.3-38.2178.6-171.90000112.3L13 S14 A15 N21L13-S17 PolarHBondContact O-N 3.04Å; S14-S17 WeakPolarHBondContact O-CB 3.13Å; S14-S17 PolarHBondContact O-N 2.92Å; S14-S17 VanDerWaalsContact O-N 3.14Å; A15-S17 VanDerWaalsContact C-N 3.33Å; A15-S17 PolarHBondContact O-N 2.91Å; S17-N21 WeakPolarHBondContact O-CB 3.47Å; S17-N21 PolarHBondContact O-N 3.06Å
18K78.5Confident72.4Confident71 Ų7151.7 Ų51.731%0.30927%0.265SS..Hα-helixtrans-64.9-46174-67.3175.1-173.9168.50111.4S14 A15 K16 V20 N21 Y22 L39 E42S14-K18 PolarHBondContact O-N 2.79Å; A15-K18 PolarHBondContact O-N 2.75Å; K16-K18 VanDerWaalsContact C-N 3.32Å; K16-K18 PolarHBondContact O-N 3.23Å; K18-V20 PolarHBondContact O-N 2.87Å; K18-N21 PolarHBondContact O-N 3.45Å; K18-Y22 HydrophobicContact CB-CE2 4.19Å; K18-Y22 WeakPolarHBondContact O-CD2 3.45Å; K18-Y22 PolarHBondContact O-N 3.31Å; K18-L39 HydrophobicContact CB-CD1 3.72Å; K18-L39 HydrophobicContact CD-CD1 4.16Å; K18-E42 VanDerWaalsContact NZ-CD 3.3Å; K18-E42 IonicContact NZ-OE1 2.64Å; K18-E42 PolarHBondContact NZ-OE1 3.47Å; K18-E42 IonicContact NZ-OE2 2.71Å; K18-E42 PolarHBondContact NZ-OE2 2.67Å
19L74.3Confident71.2Confident1 Ų160.8 Ų60.81%0.00530%0.304CS..Hα-helixtrans-54-53.9177.7-176.160.4000112A15 K16 N21 Y22 L23 F36 L39 F43 C103 L106 L107A15-L19 PolarHBondContact O-N 2.8Å; K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 PolarHBondContact O-N 2.75Å; L19-N21 VanDerWaalsContact C-N 3.27Å; L19-N21 PolarHBondContact O-N 3.25Å; L19-Y22 PolarHBondContact O-N 3.49Å; L19-L23 HydrophobicContact CD1-CD1 3.77Å; L19-L23 HydrophobicContact CD1-CG 4.16Å; L19-L23 HydrophobicContact CG-CD1 3.82Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 3.4Å; L19-F36 HydrophobicContact CD1-CE1 4.16Å; L19-L39 VanDerWaalsContact CA-CD2 3.41Å; L19-L39 HydrophobicContact CB-CD2 3.58Å; L19-L39 HydrophobicContact CD1-CD2 3.28Å; L19-L39 HydrophobicContact CG-CD2 3.98Å; L19-F43 HydrophobicContact CB-CE2 4.13Å; L19-F43 HydrophobicContact CB-CZ 4.28Å; L19-F43 HydrophobicContact CD2-CE2 4Å; L19-F43 HydrophobicContact CD2-CZ 4.12Å; L19-F43 HydrophobicContact CG-CE2 4.46Å; L19-C103 HydrophobicContact CD2-CB 3.44Å; L19-C103 VanDerWaalsContact CD2-CB 3.44Å; L19-L106 HydrophobicContact CD2-CD1 4.11Å; L19-L107 HydrophobicContact CD1-CD1 4.06Å; L19-L107 HydrophobicContact CD1-CD2 4.4Å; L19-L107 HydrophobicContact CD1-CG 3.98Å
20V73.2Confident70.2Confident15 Ų1565 Ų659%0.09132%0.32CS..Hα-helixtrans-60.7-41.1-177.7173.90000110.4K16 K18 Q24 V196 V199K16-V20 WeakPolarHBondContact O-CG2 2.95Å; K16-V20 PolarHBondContact O-N 3.15Å; K18-V20 PolarHBondContact O-N 2.87Å; V20-Q24 WeakPolarHBondContact O-CB 3.41Å; V20-Q24 VanDerWaalsContact O-CG 3.28Å; V20-Q24 WeakPolarHBondContact O-CG 3.44Å; V20-Q24 PolarHBondContact O-N 3.28Å; V20-V196 HydrophobicContact CG2-CG2 3.86Å; V20-V199 HydrophobicContact CG1-CG2 4.28Å
21N77.9Confident69Low79 Ų7964 Ų6442%0.42232%0.321SS..Hα-helixtrans-65.8-45.2177.5-171.813.8000112.3S17 K18 L19 Q24 N25S17-N21 WeakPolarHBondContact O-CB 3.47Å; S17-N21 PolarHBondContact O-N 3.06Å; K18-N21 PolarHBondContact O-N 3.45Å; L19-N21 VanDerWaalsContact C-N 3.27Å; L19-N21 PolarHBondContact O-N 3.25Å; N21-Q24 PolarHBondContact O-N 3.47Å; N21-N25 WeakPolarHBondContact O-CB 3.32Å; N21-N25 PolarHBondContact O-N 3.01Å; N21-N25 PolarHBondContact O-ND2 2.91Å; N21-N25 PolarHBondContact OD1-ND2 3.09Å
22Y72.6Confident68Low59 Ų5961 Ų6123%0.23131%0.307CS..Hα-helixtrans-65.1-41.3178.5-64.6-27.7000112.4K18 L19 N25 H26 V32 E35 L39K18-Y22 HydrophobicContact CB-CE2 4.19Å; K18-Y22 WeakPolarHBondContact O-CD2 3.45Å; K18-Y22 PolarHBondContact O-N 3.31Å; L19-Y22 PolarHBondContact O-N 3.49Å; Y22-N25 PolarHBondContact O-N 3.38Å; Y22-H26 PolarHBondContact O-N 2.72Å; Y22-V32 HydrophobicContact CD1-CG1 4.03Å; Y22-V32 HydrophobicContact CG-CG1 4.32Å; Y22-E35 HydrophobicContact CD1-CB 4.46Å; Y22-E35 HydrophobicContact CD2-CB 4Å; Y22-E35 HydrophobicContact CE1-CB 4.21Å; Y22-E35 HydrophobicContact CE1-CG 4.42Å; Y22-E35 HydrophobicContact CE2-CB 3.71Å; Y22-E35 HydrophobicContact CG-CB 4.38Å; Y22-L39 HydrophobicContact CD2-CD2 4.17Å; Y22-L39 HydrophobicContact CE2-CD1 4.46Å
23L70Confident67.5Low0 Ų066.6 Ų66.60%033%0.334CS..Hα-helixtrans-63.2-45.5175.9-72.5172.9000111.5L19 N25 H26 H27 F36 L106 H110 V199 F203L19-L23 HydrophobicContact CD1-CD1 3.77Å; L19-L23 HydrophobicContact CD1-CG 4.16Å; L19-L23 HydrophobicContact CG-CD1 3.82Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 3.4Å; L23-N25 VanDerWaalsContact C-N 3.3Å; L23-N25 PolarHBondContact O-N 2.83Å; L23-H26 PolarHBondContact O-N 3.02Å; L23-H27 PolarHBondContact O-CD2 3.17Å; L23-H27 PolarHBondContact O-N 2.99Å; L23-F36 HydrophobicContact CB-CZ 4.4Å; L23-F36 HydrophobicContact CD2-CE1 3.44Å; L23-F36 VanDerWaalsContact CD2-CE1 3.44Å; L23-F36 HydrophobicContact CD2-CZ 3.42Å; L23-F36 VanDerWaalsContact CD2-CZ 3.42Å; L23-F36 HydrophobicContact CG-CE1 3.67Å; L23-F36 HydrophobicContact CG-CZ 3.78Å; L23-L106 HydrophobicContact CD1-CB 3.91Å; L23-L106 HydrophobicContact CD1-CD1 4.27Å; L23-H110 HydrophobicContact CD2-CB 4.42Å; L23-V199 HydrophobicContact CB-CB 4.34Å; L23-V199 HydrophobicContact CB-CG1 3.5Å; L23-V199 HydrophobicContact CB-CG2 3.83Å; L23-V199 HydrophobicContact CD1-CG1 3.62Å; L23-V199 HydrophobicContact CG-CG1 4.06Å; L23-F203 HydrophobicContact CD1-CZ 4.1Å; L23-F203 HydrophobicContact CD2-CE1 3.94Å; L23-F203 HydrophobicContact CD2-CZ 3.48Å; L23-F203 VanDerWaalsContact CD2-CZ 3.48Å; L23-F203 HydrophobicContact CG-CZ 4.33Å
24Q70.7Confident67.1Low61 Ų6171.8 Ų71.829%0.28535%0.347SS..Hα-helixtrans-60.2-39.1174.7-74.7176.3-12.600112.4V20 N21 N28 V199V20-Q24 WeakPolarHBondContact O-CB 3.41Å; V20-Q24 VanDerWaalsContact O-CG 3.28Å; V20-Q24 WeakPolarHBondContact O-CG 3.44Å; V20-Q24 PolarHBondContact O-N 3.28Å; N21-Q24 PolarHBondContact O-N 3.47Å; Q24-N28 VanDerWaalsContact O-CG 3.3Å; Q24-N28 PolarHBondContact O-N 3.3Å; Q24-N28 VanDerWaalsContact O-N 3.16Å; Q24-N28 PolarHBondContact O-ND2 3.14Å; Q24-N28 VanDerWaalsContact O-ND2 3.17Å; Q24-V199 HydrophobicContact CG-CG2 3.59Å
25N67.8Low66.5Low45 Ų4572.2 Ų72.224%0.24134%0.343CS..Hα-helixtrans-72.3-35.9178.9-70.5-36.4000113.3N21 Y22 L23 H27 N28 R30 V32N21-N25 WeakPolarHBondContact O-CB 3.32Å; N21-N25 PolarHBondContact O-N 3.01Å; N21-N25 PolarHBondContact O-ND2 2.91Å; N21-N25 PolarHBondContact OD1-ND2 3.09Å; Y22-N25 PolarHBondContact O-N 3.38Å; L23-N25 VanDerWaalsContact C-N 3.3Å; L23-N25 PolarHBondContact O-N 2.83Å; N25-H27 VanDerWaalsContact C-N 3.34Å; N25-N28 CarbonylContact O-C 3.6Å; N25-N28 WeakPolarHBondContact O-CA 3.36Å; N25-N28 PolarHBondContact O-N 3.34Å; N25-N28 VanDerWaalsContact O-N 3.14Å; N25-R30 WeakPolarHBondContact O-CB 3.29Å; N25-R30 PolarHBondContact O-N 3.14Å; N25-R30 VanDerWaalsContact O-N 3.12Å; N25-V32 HydrophobicContact CB-CG2 4.36Å
26H63.3Low66.1Low35 Ų3572.8 Ų72.816%0.16235%0.345CS..Hα-helixtrans-61.4-44.2176.2-166.1-76.4000111.8Y22 L23 N28 F29 R30 V32 F36 H110Y22-H26 PolarHBondContact O-N 2.72Å; L23-H26 PolarHBondContact O-N 3.02Å; H26-N28 VanDerWaalsContact C-N 3.25Å; H26-N28 PolarHBondContact O-N 3.12Å; H26-F29 PolarHBondContact O-N 3.41Å; H26-F29 VanDerWaalsContact O-N 3.14Å; H26-R30 VanDerWaalsContact CA-O 3.27Å; H26-R30 WeakPolarHBondContact CA-O 3.29Å; H26-V32 HydrophobicContact CB-CG2 3.95Å; H26-F36 HydrophobicContact CB-CE2 4.06Å; H26-F36 HydrophobicContact CB-CZ 4.47Å; H26-H110 AromaticContact CE1-CE1 3.56Å; H26-H110 AromaticContact CE1-NE2 3.88Å; H26-H110 AromaticContact CG-CE1 3.99Å; H26-H110 AromaticContact ND1-CE1 3.52Å; H26-H110 AromaticContact NE2-NE2 3.93Å
27H57.9Low65.6Low36 Ų3677.2 Ų77.217%0.16737%0.37CS..Hα-helixtrans-72.9-18175.8-70.4-68.6000113.6L23 N25 F29 S202 F203L23-H27 PolarHBondContact O-CD2 3.17Å; L23-H27 PolarHBondContact O-N 2.99Å; N25-H27 VanDerWaalsContact C-N 3.34Å; H27-F29 PolarHBondContact O-N 2.97Å; H27-S202 PolarHBondContact CD2-OG 3.22Å; H27-F203 AromaticContact CD2-CE1 3.98Å; H27-F203 AromaticContact CE1-CD1 3.52Å; H27-F203 AromaticContact CE1-CE1 3.86Å; H27-F203 AromaticContact NE2-CD1 3Å; H27-F203 WeakPolarHBondContact NE2-CD1 3.35Å; H27-F203 AromaticContact NE2-CE1 2.99Å; H27-F203 WeakPolarHBondContact NE2-CE1 3.29Å
28N55.1Low65.3Low121 Ų12178.4 Ų78.465%0.64737%0.367SS*.THydrogen-bonded Turntrans-85.129.3166.4-70.2-29.3000112.8Q24 N25 H26 R30Q24-N28 VanDerWaalsContact O-CG 3.3Å; Q24-N28 PolarHBondContact O-N 3.3Å; Q24-N28 VanDerWaalsContact O-N 3.16Å; Q24-N28 PolarHBondContact O-ND2 3.14Å; Q24-N28 VanDerWaalsContact O-ND2 3.17Å; N25-N28 CarbonylContact O-C 3.6Å; N25-N28 WeakPolarHBondContact O-CA 3.36Å; N25-N28 PolarHBondContact O-N 3.34Å; N25-N28 VanDerWaalsContact O-N 3.14Å; H26-N28 VanDerWaalsContact C-N 3.25Å; H26-N28 PolarHBondContact O-N 3.12Å; N28-R30 VanDerWaalsContact C-N 3.32Å; N28-R30 PolarHBondContact O-N 3.16Å
29F48.3Very low64.9Low200 Ų20075.1 Ų75.188%0.87735%0.352SS*.THydrogen-bonded Turntrans62.826.7175.8-62.8-86.3000115.7H26 H27H26-F29 PolarHBondContact O-N 3.41Å; H26-F29 VanDerWaalsContact O-N 3.14Å; H27-F29 PolarHBondContact O-N 2.97Å
30R51Low64.6Low172 Ų17277.8 Ų77.865%0.64937%0.368SS*.  trans-105.2113.3172.1-154-179.5-167.9-162.21.1109.6N25 H26 N28 V32N25-R30 WeakPolarHBondContact O-CB 3.29Å; N25-R30 PolarHBondContact O-N 3.14Å; N25-R30 VanDerWaalsContact O-N 3.12Å; H26-R30 VanDerWaalsContact CA-O 3.27Å; H26-R30 WeakPolarHBondContact CA-O 3.29Å; N28-R30 VanDerWaalsContact C-N 3.32Å; N28-R30 PolarHBondContact O-N 3.16Å; R30-V32 WeakPolarHBondContact O-CG2 3.4Å; R30-V32 PolarHBondContact O-N 3.26Å
31P52.3Low64.6Low104 Ų10480.2 Ų80.268%0.67539%0.386SS*.  trans-66.3123.3176.324.2-30.4000109.8
32V58.4Low64.5Low7 Ų779.3 Ų79.34%0.04238%0.38CS..  trans-125.625.4-174-135.70000111.8Y22 N25 H26 R30 R34 E35 F36Y22-V32 HydrophobicContact CD1-CG1 4.03Å; Y22-V32 HydrophobicContact CG-CG1 4.32Å; N25-V32 HydrophobicContact CB-CG2 4.36Å; H26-V32 HydrophobicContact CB-CG2 3.95Å; R30-V32 WeakPolarHBondContact O-CG2 3.4Å; R30-V32 PolarHBondContact O-N 3.26Å; V32-R34 VanDerWaalsContact C-N 3.26Å; V32-R34 PolarHBondContact O-N 3.07Å; V32-E35 VanDerWaalsContact CA-OE2 3.31Å; V32-E35 WeakPolarHBondContact CA-OE2 3.26Å; V32-E35 HydrophobicContact CG1-CB 3.77Å; V32-E35 VanDerWaalsContact CG1-CD 3.4Å; V32-E35 HydrophobicContact CG1-CG 3.77Å; V32-E35 WeakPolarHBondContact CG1-OE2 3.24Å; V32-E35 PolarHBondContact O-N 2.95Å; V32-E35 VanDerWaalsContact O-OE2 3.09Å; V32-F36 HydrophobicContact CB-CD2 4.14Å; V32-F36 HydrophobicContact CB-CE2 3.92Å; V32-F36 HydrophobicContact CG2-CE2 4.33Å; V32-F36 WeakPolarHBondContact O-CD2 3.1Å; V32-F36 PolarHBondContact O-N 3.18Å
33Q61.2Low64.4Low124 Ų12476.6 Ų76.658%0.57937%0.369SS*.Hα-helixtrans-56.8-35.9-168.9-135.8111.29.300113.7L37Q33-L37 PolarHBondContact O-N 3.45Å
34R66.9Low64.5Low191 Ų19180.8 Ų80.872%0.72139%0.388SS*.Hα-helixtrans-72.4-44.7-177.8-172.7179.6-166.7151.77.3110.8V32 F36 L37 E38V32-R34 VanDerWaalsContact C-N 3.26Å; V32-R34 PolarHBondContact O-N 3.07Å; R34-F36 VanDerWaalsContact C-N 3.25Å; R34-F36 PolarHBondContact O-N 2.9Å; R34-L37 PolarHBondContact O-N 3.14Å; R34-E38 PolarHBondContact O-N 3.23Å; R34-E38 VanDerWaalsContact O-N 3.12Å
35E68.5Low64.8Low70 Ų7082.4 Ų82.433%0.32740%0.398SS..Hα-helixtrans-66-31179.2-56.783.6157.700111.1Y22 V32 L39Y22-E35 HydrophobicContact CD1-CB 4.46Å; Y22-E35 HydrophobicContact CD2-CB 4Å; Y22-E35 HydrophobicContact CE1-CB 4.21Å; Y22-E35 HydrophobicContact CE1-CG 4.42Å; Y22-E35 HydrophobicContact CE2-CB 3.71Å; Y22-E35 HydrophobicContact CG-CB 4.38Å; V32-E35 VanDerWaalsContact CA-OE2 3.31Å; V32-E35 WeakPolarHBondContact CA-OE2 3.26Å; V32-E35 HydrophobicContact CG1-CB 3.77Å; V32-E35 VanDerWaalsContact CG1-CD 3.4Å; V32-E35 HydrophobicContact CG1-CG 3.77Å; V32-E35 WeakPolarHBondContact CG1-OE2 3.24Å; V32-E35 PolarHBondContact O-N 2.95Å; V32-E35 VanDerWaalsContact O-OE2 3.09Å; E35-L39 VanDerWaalsContact O-CB 3.26Å; E35-L39 WeakPolarHBondContact O-CB 3.42Å; E35-L39 PolarHBondContact O-N 3.18Å
36F65.5Low65.1Low12 Ų1280.7 Ų80.75%0.05339%0.389CS..Hα-helixtrans-65.3-44.4170.6-82.8-65.2000113.1L19 L23 H26 V32 R34 E38 L39 V40 L107L19-F36 HydrophobicContact CD1-CE1 4.16Å; L23-F36 HydrophobicContact CB-CZ 4.4Å; L23-F36 HydrophobicContact CD2-CE1 3.44Å; L23-F36 VanDerWaalsContact CD2-CE1 3.44Å; L23-F36 HydrophobicContact CD2-CZ 3.42Å; L23-F36 VanDerWaalsContact CD2-CZ 3.42Å; L23-F36 HydrophobicContact CG-CE1 3.67Å; L23-F36 HydrophobicContact CG-CZ 3.78Å; H26-F36 HydrophobicContact CB-CE2 4.06Å; H26-F36 HydrophobicContact CB-CZ 4.47Å; V32-F36 HydrophobicContact CB-CD2 4.14Å; V32-F36 HydrophobicContact CB-CE2 3.92Å; V32-F36 HydrophobicContact CG2-CE2 4.33Å; V32-F36 WeakPolarHBondContact O-CD2 3.1Å; V32-F36 PolarHBondContact O-N 3.18Å; R34-F36 VanDerWaalsContact C-N 3.25Å; R34-F36 PolarHBondContact O-N 2.9Å; F36-E38 VanDerWaalsContact C-N 3.32Å; F36-E38 PolarHBondContact O-N 3.08Å; F36-L39 PolarHBondContact O-N 3.46Å; F36-V40 WeakPolarHBondContact O-CG2 3.49Å; F36-V40 PolarHBondContact O-N 3.38Å; F36-L107 HydrophobicContact CD1-CD2 3.7Å; F36-L107 HydrophobicContact CE1-CD2 4.43Å
37L64.9Low65.5Low135 Ų13582 Ų8271%0.70739%0.394SS*.Hα-helixtrans-60.9-43.9177.7-119.298.6000111.4Q33 R34 L39 V40 S41Q33-L37 PolarHBondContact O-N 3.45Å; R34-L37 PolarHBondContact O-N 3.14Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.29Å; L37-V40 PolarHBondContact O-N 3.1Å; L37-S41 PolarHBondContact O-N 3.1Å
38E73.9Confident66.3Low109 Ų10985 Ų8551%0.50941%0.411SS..Hα-helixtrans-60.4-42.3175.8-72.4177.5-172.800111R34 F36 S41 E42R34-E38 PolarHBondContact O-N 3.23Å; R34-E38 VanDerWaalsContact O-N 3.12Å; F36-E38 VanDerWaalsContact C-N 3.32Å; F36-E38 PolarHBondContact O-N 3.08Å; E38-S41 PolarHBondContact O-N 3.39Å; E38-S41 PolarHBondContact O-OG 3.03Å; E38-E42 PolarHBondContact O-N 3.1Å
39L69.5Low67.3Low2 Ų283.2 Ų83.21%0.0140%0.397CS..Hα-helixtrans-69.4-38.7-179.3-16780.9000113.3K18 L19 Y22 E35 F36 L37 S41 E42 F43K18-L39 HydrophobicContact CB-CD1 3.72Å; K18-L39 HydrophobicContact CD-CD1 4.16Å; L19-L39 VanDerWaalsContact CA-CD2 3.41Å; L19-L39 HydrophobicContact CB-CD2 3.58Å; L19-L39 HydrophobicContact CD1-CD2 3.28Å; L19-L39 HydrophobicContact CG-CD2 3.98Å; Y22-L39 HydrophobicContact CD2-CD2 4.17Å; Y22-L39 HydrophobicContact CE2-CD1 4.46Å; E35-L39 VanDerWaalsContact O-CB 3.26Å; E35-L39 WeakPolarHBondContact O-CB 3.42Å; E35-L39 PolarHBondContact O-N 3.18Å; F36-L39 PolarHBondContact O-N 3.46Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.29Å; L39-S41 VanDerWaalsContact C-N 3.26Å; L39-S41 PolarHBondContact O-N 3.12Å; L39-E42 WeakPolarHBondContact O-CB 3Å; L39-E42 PolarHBondContact O-N 3.39Å; L39-F43 HydrophobicContact CD1-CE2 4.19Å; L39-F43 HydrophobicContact CD2-CE2 3.95Å; L39-F43 HydrophobicContact CG-CD2 4Å; L39-F43 HydrophobicContact CG-CE2 3.72Å; L39-F43 VanDerWaalsContact O-CD2 3.23Å; L39-F43 WeakPolarHBondContact O-CD2 3.32Å; L39-F43 PolarHBondContact O-N 3.04Å
40V68.4Low68.3Low56 Ų5674 Ų7434%0.33936%0.358SS..Hα-helixtrans-56.4-45171.6171.60000110F36 L37 E42 F43 E44 L107F36-V40 WeakPolarHBondContact O-CG2 3.49Å; F36-V40 PolarHBondContact O-N 3.38Å; L37-V40 PolarHBondContact O-N 3.1Å; V40-E42 PolarHBondContact O-N 3.14Å; V40-F43 PolarHBondContact O-N 3.49Å; V40-E44 PolarHBondContact O-N 3.38Å; V40-L107 HydrophobicContact CG2-CD1 3.81Å; V40-L107 HydrophobicContact CG2-CD2 3.49Å; V40-L107 VanDerWaalsContact CG2-CD2 3.49Å; V40-L107 HydrophobicContact CG2-CG 4.17Å
41S73.2Confident69.2Low67 Ų6770.2 Ų70.247%0.46935%0.348SS..Hα-helixtrans-65.7-36.4177.577.60000112.9L37 E38 L39 I45L37-S41 PolarHBondContact O-N 3.1Å; E38-S41 PolarHBondContact O-N 3.39Å; E38-S41 PolarHBondContact O-OG 3.03Å; L39-S41 VanDerWaalsContact C-N 3.26Å; L39-S41 PolarHBondContact O-N 3.12Å; S41-I45 WeakPolarHBondContact O-CG1 3.46Å; S41-I45 PolarHBondContact O-N 3.21Å
42E75.6Confident70.3Confident60 Ų6070.7 Ų70.728%0.2834%0.344SS..Hα-helixtrans-63.7-41.7175.9-168.4174.6-179.400111.2K18 E38 L39 V40 I45 L46K18-E42 VanDerWaalsContact NZ-CD 3.3Å; K18-E42 IonicContact NZ-OE1 2.64Å; K18-E42 PolarHBondContact NZ-OE1 3.47Å; K18-E42 IonicContact NZ-OE2 2.71Å; K18-E42 PolarHBondContact NZ-OE2 2.67Å; E38-E42 PolarHBondContact O-N 3.1Å; L39-E42 WeakPolarHBondContact O-CB 3Å; L39-E42 PolarHBondContact O-N 3.39Å; V40-E42 PolarHBondContact O-N 3.14Å; E42-I45 PolarHBondContact O-N 3.34Å; E42-L46 WeakPolarHBondContact O-CG 3.32Å; E42-L46 PolarHBondContact O-N 3.48Å; E42-L46 VanDerWaalsContact O-N 3.15Å
43F70.8Confident70.8Confident2 Ų271.4 Ų71.41%0.00935%0.348CS..Hα-helixtrans-66.1-44.1178-83.8-66.6000113.3L12 A15 L19 L39 V40 I45 L46 K47 H100 C103 L107L12-F43 HydrophobicContact CD1-CD1 4.04Å; L12-F43 HydrophobicContact CD1-CE1 3.91Å; A15-F43 HydrophobicContact CB-CD1 4.5Å; A15-F43 HydrophobicContact CB-CE1 3.92Å; A15-F43 HydrophobicContact CB-CE2 4.44Å; A15-F43 HydrophobicContact CB-CZ 3.87Å; L19-F43 HydrophobicContact CB-CE2 4.13Å; L19-F43 HydrophobicContact CB-CZ 4.28Å; L19-F43 HydrophobicContact CD2-CE2 4Å; L19-F43 HydrophobicContact CD2-CZ 4.12Å; L19-F43 HydrophobicContact CG-CE2 4.46Å; L39-F43 HydrophobicContact CD1-CE2 4.19Å; L39-F43 HydrophobicContact CD2-CE2 3.95Å; L39-F43 HydrophobicContact CG-CD2 4Å; L39-F43 HydrophobicContact CG-CE2 3.72Å; L39-F43 VanDerWaalsContact O-CD2 3.23Å; L39-F43 WeakPolarHBondContact O-CD2 3.32Å; L39-F43 PolarHBondContact O-N 3.04Å; V40-F43 PolarHBondContact O-N 3.49Å; F43-I45 VanDerWaalsContact C-N 3.29Å; F43-I45 PolarHBondContact O-N 3.38Å; F43-L46 WeakPolarHBondContact O-CB 3.47Å; F43-L46 PolarHBondContact O-N 3.39Å; F43-L46 VanDerWaalsContact O-N 3.08Å; F43-K47 PolarHBondContact O-N 2.95Å; F43-H100 AromaticContact CD1-CD2 3.8Å; F43-H100 PolarHBondContact O-CD2 3.48Å; F43-H100 VanDerWaalsContact O-CD2 3.32Å; F43-H100 PolarHBondContact O-NE2 3.43Å; F43-C103 HydrophobicContact CD1-CB 4.06Å; F43-C103 HydrophobicContact CD2-CB 4.46Å; F43-C103 HydrophobicContact CE1-CB 3.46Å; F43-C103 VanDerWaalsContact CE1-CB 3.46Å; F43-C103 HydrophobicContact CE2-CB 3.91Å; F43-C103 HydrophobicContact CZ-CB 3.38Å; F43-C103 VanDerWaalsContact CZ-SG 3.57Å; F43-L107 HydrophobicContact CD2-CD1 4.37Å
44E71.2Confident71.1Confident87 Ų8769.8 Ų69.841%0.40734%0.337SS..Hα-helixtrans-60.4-38.7176.8-77-62.4156.100112.2V40 L46 K47 L48V40-E44 PolarHBondContact O-N 3.38Å; E44-L46 PolarHBondContact O-N 2.93Å; E44-K47 PolarHBondContact O-N 3.42Å; E44-L48 WeakPolarHBondContact O-CG 2.99Å; E44-L48 PolarHBondContact O-N 2.93Å; E44-L48 VanDerWaalsContact O-N 3.1Å
45I77.4Confident71.2Confident95 Ų9562 Ų6249%0.48732%0.316SS..Hα-helixtrans-63.6-42174.6-66.4166.6000111S41 E42 F43 L48 K49S41-I45 WeakPolarHBondContact O-CG1 3.46Å; S41-I45 PolarHBondContact O-N 3.21Å; E42-I45 PolarHBondContact O-N 3.34Å; F43-I45 VanDerWaalsContact C-N 3.29Å; F43-I45 PolarHBondContact O-N 3.38Å; I45-L48 PolarHBondContact O-N 2.63Å; I45-K49 PolarHBondContact O-N 3.27Å; I45-K49 VanDerWaalsContact O-N 3.08Å
46L73.6Confident71.2Confident10 Ų1061.6 Ų61.65%0.05232%0.318CS..Hα-helixtrans-66.5-37.9178.7-70.1170.3000112.3E11 L12 A15 E42 F43 E44 K49 A50E11-L46 HydrophobicContact CB-CD2 3.64Å; E11-L46 VanDerWaalsContact OE2-CD2 3.26Å; E11-L46 WeakPolarHBondContact OE2-CD2 3.1Å; L12-L46 HydrophobicContact CD1-CB 4.25Å; L12-L46 HydrophobicContact CD1-CD1 3.84Å; A15-L46 HydrophobicContact CB-CD1 3.76Å; E42-L46 WeakPolarHBondContact O-CG 3.32Å; E42-L46 PolarHBondContact O-N 3.48Å; E42-L46 VanDerWaalsContact O-N 3.15Å; F43-L46 WeakPolarHBondContact O-CB 3.47Å; F43-L46 PolarHBondContact O-N 3.39Å; F43-L46 VanDerWaalsContact O-N 3.08Å; E44-L46 PolarHBondContact O-N 2.93Å; L46-K49 PolarHBondContact O-N 3.38Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 3.09Å
47K72Confident71.1Confident63 Ų6361.2 Ų61.227%0.27432%0.317SS..Hα-helixtrans-60.4-46.9173.6-177.9-176177.8-178.20111.7F43 E44 A50 Q51F43-K47 PolarHBondContact O-N 2.95Å; E44-K47 PolarHBondContact O-N 3.42Å; K47-A50 WeakPolarHBondContact O-CB 3.36Å; K47-A50 PolarHBondContact O-N 3.4Å; K47-Q51 WeakPolarHBondContact O-CG 3.44Å; K47-Q51 PolarHBondContact O-N 3.13Å
48L75Confident70.9Confident99 Ų9962.7 Ų62.752%0.51831%0.313SS..Hα-helixtrans-60.6-46177.1-71.1171.1000111.5E44 I45 A50 Q51 D52E44-L48 WeakPolarHBondContact O-CG 2.99Å; E44-L48 PolarHBondContact O-N 2.93Å; E44-L48 VanDerWaalsContact O-N 3.1Å; I45-L48 PolarHBondContact O-N 2.63Å; L48-A50 VanDerWaalsContact C-N 3.31Å; L48-A50 PolarHBondContact O-N 2.75Å; L48-Q51 PolarHBondContact O-N 3.35Å; L48-D52 PolarHBondContact O-N 3.2Å
49K75.8Confident70.4Confident83 Ų8364.7 Ų64.736%0.36132%0.322SS..Hα-helixtrans-59-40.6174.4-72.5-176-175179.30112.5L8 E11 I45 L46 D52 I53L8-K49 HydrophobicContact CD1-CB 3.55Å; L8-K49 HydrophobicContact CD1-CD 4.23Å; E11-K49 IonicContact OE1-NZ 3.66Å; E11-K49 PolarHBondContact OE1-NZ 3.42Å; E11-K49 IonicContact OE2-NZ 2.73Å; E11-K49 PolarHBondContact OE2-NZ 3.34Å; I45-K49 PolarHBondContact O-N 3.27Å; I45-K49 VanDerWaalsContact O-N 3.08Å; L46-K49 PolarHBondContact O-N 3.38Å; K49-D52 PolarHBondContact O-N 3.19Å; K49-I53 WeakPolarHBondContact O-CG1 3.44Å; K49-I53 PolarHBondContact O-N 2.91Å; K49-I53 VanDerWaalsContact O-N 3.14Å
50A68.2Low70.2Confident5 Ų570.9 Ų70.94%0.04135%0.349CS..Hα-helixtrans-63.5-45.5178.200000111.6L8 L46 K47 L48 I53 Y54 L97L8-A50 HydrophobicContact CD2-CB 3.69Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 3.09Å; K47-A50 WeakPolarHBondContact O-CB 3.36Å; K47-A50 PolarHBondContact O-N 3.4Å; L48-A50 VanDerWaalsContact C-N 3.31Å; L48-A50 PolarHBondContact O-N 2.75Å; A50-I53 PolarHBondContact O-N 2.93Å; A50-Y54 WeakPolarHBondContact O-CB 3.48Å; A50-Y54 PolarHBondContact O-N 2.68Å; A50-L97 HydrophobicContact CB-CD2 4.04Å
51Q71.3Confident69.7Low94 Ų9469.7 Ų69.744%0.43934%0.342SS..Hα-helixtrans-63.8-39.8177.6-72.6178.2-14.400111.9K47 L48 Y54 G55K47-Q51 WeakPolarHBondContact O-CG 3.44Å; K47-Q51 PolarHBondContact O-N 3.13Å; L48-Q51 PolarHBondContact O-N 3.35Å; Q51-Y54 PolarHBondContact O-N 3.32Å; Q51-G55 PolarHBondContact O-N 2.82Å
52D75.1Confident69Low113 Ų11369.4 Ų69.460%0.60434%0.335SS*.Hα-helixtrans-61.2-47.7175.3-79.3-12.5000111.8L48 K49 Y54 G55 V56L48-D52 PolarHBondContact O-N 3.2Å; K49-D52 PolarHBondContact O-N 3.19Å; D52-Y54 VanDerWaalsContact C-N 3.31Å; D52-Y54 PolarHBondContact O-N 3.38Å; D52-G55 PolarHBondContact O-N 3.27Å; D52-V56 VanDerWaalsContact O-CG2 3.31Å; D52-V56 WeakPolarHBondContact O-CG2 3.39Å; D52-V56 PolarHBondContact O-N 3.2Å
53I69.1Low68.1Low23 Ų2369.5 Ų69.512%0.11834%0.341CS..Hα-helixtrans-62.5-41.7177.9-63.5167.6000110.4E4 V5 L8 K49 A50 V56 S57 L93E4-I53 HydrophobicContact CB-CD1 4.13Å; V5-I53 HydrophobicContact CG2-CG2 4.02Å; L8-I53 HydrophobicContact CB-CD1 4.39Å; L8-I53 HydrophobicContact CD1-CD1 4.27Å; L8-I53 HydrophobicContact CD2-CD1 4.31Å; K49-I53 WeakPolarHBondContact O-CG1 3.44Å; K49-I53 PolarHBondContact O-N 2.91Å; K49-I53 VanDerWaalsContact O-N 3.14Å; A50-I53 PolarHBondContact O-N 2.93Å; I53-V56 PolarHBondContact O-N 2.89Å; I53-S57 PolarHBondContact O-N 3.19Å; I53-L93 HydrophobicContact CB-CD2 4.25Å; I53-L93 HydrophobicContact CG2-CD1 3.92Å; I53-L93 HydrophobicContact CG2-CD2 3.99Å
54Y67.4Low67.5Low90 Ų9075.7 Ų75.735%0.35337%0.369SS..Hα-helixtrans-63.7-43.6176.7-172.9-100.3000111.9A50 Q51 D52 S57 R58 V90 L93A50-Y54 WeakPolarHBondContact O-CB 3.48Å; A50-Y54 PolarHBondContact O-N 2.68Å; Q51-Y54 PolarHBondContact O-N 3.32Å; D52-Y54 VanDerWaalsContact C-N 3.31Å; D52-Y54 PolarHBondContact O-N 3.38Å; Y54-S57 WeakPolarHBondContact O-CB 3.34Å; Y54-S57 PolarHBondContact O-N 3.26Å; Y54-S57 VanDerWaalsContact O-N 3.12Å; Y54-S57 PolarHBondContact O-OG 2.88Å; Y54-R58 PolarHBondContact O-N 2.99Å; Y54-V90 HydrophobicContact CE2-CG1 4.31Å; Y54-L93 HydrophobicContact CD2-CD1 4.36Å
55G67.8Low66.7Low27 Ų2773.9 Ų73.928%0.27836%0.362SS..Hα-helixtrans-58.7-47.6175.200000112.4Q51 D52 S57 R58 E59Q51-G55 PolarHBondContact O-N 2.82Å; D52-G55 PolarHBondContact O-N 3.27Å; G55-S57 PolarHBondContact O-N 3.42Å; G55-R58 PolarHBondContact O-N 2.96Å; G55-R58 VanDerWaalsContact O-N 3.08Å; G55-E59 PolarHBondContact O-N 3.36Å
56V69.1Low65.6Low62 Ų6277.6 Ų77.638%0.37638%0.375SS..Hα-helixtrans-59.4-36.2175.2176.40000111.5M1 D52 I53 K60M1-V56 HydrophobicContact CE-CB 4.21Å; M1-V56 HydrophobicContact CE-CG1 3.8Å; D52-V56 VanDerWaalsContact O-CG2 3.31Å; D52-V56 WeakPolarHBondContact O-CG2 3.39Å; D52-V56 PolarHBondContact O-N 3.2Å; I53-V56 PolarHBondContact O-N 2.89Å; V56-K60 HydrophobicContact CG1-CD 4.15Å; V56-K60 WeakPolarHBondContact O-CB 3.26Å; V56-K60 PolarHBondContact O-N 2.94Å
57S63.4Low64.5Low3 Ų381.4 Ų81.42%0.02140%0.403CS..Iπ-helixtrans-65.6-41.8175.588.10000112.6M1 I53 Y54 G55 V61 I62M1-S57 VanDerWaalsContact CE-CB 3.5Å; M1-S57 VanDerWaalsContact CE-N 3.3Å; I53-S57 PolarHBondContact O-N 3.19Å; Y54-S57 WeakPolarHBondContact O-CB 3.34Å; Y54-S57 PolarHBondContact O-N 3.26Å; Y54-S57 VanDerWaalsContact O-N 3.12Å; Y54-S57 PolarHBondContact O-OG 2.88Å; G55-S57 PolarHBondContact O-N 3.42Å; S57-V61 WeakPolarHBondContact O-CB 3.1Å; S57-V61 PolarHBondContact O-N 3.26Å; S57-V61 VanDerWaalsContact O-N 3.12Å; S57-I62 PolarHBondContact O-N 3.01Å
58R61.7Low63.3Low166 Ų16681.5 Ų81.563%0.62641%0.408SS*.Iπ-helixtrans-71-38.7-178-156.1-178.6-171.7-173.32.3112.1Y54 G55 I62 P63Y54-R58 PolarHBondContact O-N 2.99Å; G55-R58 PolarHBondContact O-N 2.96Å; G55-R58 VanDerWaalsContact O-N 3.08Å; R58-I62 HydrophobicContact CB-CD1 4.38Å; R58-I62 HydrophobicContact CG-CD1 3.92Å; R58-P63 WeakPolarHBondContact O-CD 3.49Å
59E63.1Low61.8Low151 Ų15185.7 Ų85.771%0.70643%0.425SS*.Iπ-helixtrans-82.6-37.7-177.7-72.6-173.6170.600114.1G55 P63G55-E59 PolarHBondContact O-N 3.36Å; E59-P63 WeakPolarHBondContact O-CD 3.49Å; E59-P63 WeakPolarHBondContact O-CG 3.33Å
60K64.4Low60.4Low132 Ų13289.3 Ų89.357%0.57444%0.441SS*.Iπ-helixtrans-100.8-43-173.7-64.7-173.2-177.91740113.2V56 Q64V56-K60 HydrophobicContact CG1-CD 4.15Å; V56-K60 WeakPolarHBondContact O-CB 3.26Å; V56-K60 PolarHBondContact O-N 2.94Å; K60-Q64 WeakPolarHBondContact O-CB 3.3Å; K60-Q64 WeakPolarHBondContact O-CG 3.44Å; K60-Q64 PolarHBondContact O-N 3.04Å
61V59.2Low59.2Low32 Ų3296.3 Ų96.319%0.19448%0.478CS..Iπ-helixtrans-86.1-43.7-168.1-177.30000111.5M1 S57 Q64 L65 H86M1-V61 HydrophobicContact CE-CG2 3.74Å; M1-V61 HydrophobicContact SD-CG2 3.86Å; S57-V61 WeakPolarHBondContact O-CB 3.1Å; S57-V61 PolarHBondContact O-N 3.26Å; S57-V61 VanDerWaalsContact O-N 3.12Å; V61-Q64 PolarHBondContact O-N 3.45Å; V61-L65 HydrophobicContact CG1-CD1 4.03Å; V61-L65 PolarHBondContact O-N 3.12Å; V61-H86 HydrophobicContact CG1-CB 4.43Å
62I57.5Low58.1Low61 Ų61100.1 Ų100.131%0.31350%0.5SS..Hα-helixtrans-61.5-45.3178.8-59.1179.4000111.8S57 R58 L65 K66S57-I62 PolarHBondContact O-N 3.01Å; R58-I62 HydrophobicContact CB-CD1 4.38Å; R58-I62 HydrophobicContact CG-CD1 3.92Å; I62-L65 PolarHBondContact O-N 3.46Å; I62-K66 PolarHBondContact O-N 2.9Å
63P57.4Low56.7Low62 Ų62102.2 Ų102.240%0.40351%0.511SS..Hα-helixtrans-68.1-36178.5-2539.3000112.6R58 E59 L65 K66 S67R58-P63 WeakPolarHBondContact O-CD 3.49Å; E59-P63 WeakPolarHBondContact O-CD 3.49Å; E59-P63 WeakPolarHBondContact O-CG 3.33Å; P63-L65 VanDerWaalsContact C-N 3.34Å; P63-L65 PolarHBondContact O-N 3.19Å; P63-K66 CarbonylContact O-C 3.59Å; P63-K66 PolarHBondContact O-N 3.4Å; P63-K66 VanDerWaalsContact O-N 3.13Å; P63-S67 WeakPolarHBondContact O-CB 3.46Å; P63-S67 PolarHBondContact O-N 3.17Å; P63-S67 PolarHBondContact O-OG 3.21Å
64Q57.9Low55.4Low131 Ų131109.8 Ų109.861%0.61255%0.546SS*.Hα-helixtrans-63.8-38.3174.9-78.2-179.2-6.600112.1K60 V61 K66 S67 V68K60-Q64 WeakPolarHBondContact O-CB 3.3Å; K60-Q64 WeakPolarHBondContact O-CG 3.44Å; K60-Q64 PolarHBondContact O-N 3.04Å; V61-Q64 PolarHBondContact O-N 3.45Å; Q64-K66 VanDerWaalsContact C-N 3.31Å; Q64-S67 PolarHBondContact O-OG 3.2Å; Q64-V68 WeakPolarHBondContact O-CG2 3.45Å
65L54Low54.2Low49 Ų49109.7 Ų109.726%0.25757%0.572SS.*Hα-helixtrans-66-33.4172.4-86.3156.9000112.3V61 I62 P63 V82 H86V61-L65 HydrophobicContact CG1-CD1 4.03Å; V61-L65 PolarHBondContact O-N 3.12Å; I62-L65 PolarHBondContact O-N 3.46Å; P63-L65 VanDerWaalsContact C-N 3.34Å; P63-L65 PolarHBondContact O-N 3.19Å; L65-V82 HydrophobicContact CD2-CG1 4.13Å; L65-H86 HydrophobicContact CD1-CB 4.22Å
66K54.4Low53.1Low173 Ų173113.1 Ų113.175%0.75258%0.584SS**Hα-helixtrans-79.8-33.3177.4-75.9-173.5176.5-174.80114.3I62 P63 Q64 V68I62-K66 PolarHBondContact O-N 2.9Å; P63-K66 CarbonylContact O-C 3.59Å; P63-K66 PolarHBondContact O-N 3.4Å; P63-K66 VanDerWaalsContact O-N 3.13Å; Q64-K66 VanDerWaalsContact C-N 3.31Å; K66-V68 PolarHBondContact O-N 3.22Å
67S51.6Low52.2Low91 Ų91116.7 Ų116.764%0.63660%0.601SS**SBendtrans-76.8-8.2-175.570.50000113.4P63 Q64 H69P63-S67 WeakPolarHBondContact O-CB 3.46Å; P63-S67 PolarHBondContact O-N 3.17Å; P63-S67 PolarHBondContact O-OG 3.21Å; Q64-S67 PolarHBondContact O-OG 3.2Å; S67-H69 PolarHBondContact O-N 3.33Å
68V46.6Very low51.5Low65 Ų65125 Ų12539%0.39463%0.632SS.*  trans-7888.4179.3168.40000108.9Q64 K66 F70Q64-V68 WeakPolarHBondContact O-CG2 3.45Å; K66-V68 PolarHBondContact O-N 3.22Å; V68-F70 HydrophobicContact CB-CD2 4.39Å; V68-F70 HydrophobicContact CB-CE2 4.32Å; V68-F70 HydrophobicContact CG1-CD2 2.94Å; V68-F70 HydrophobicContact CG1-CE2 3.01Å; V68-F70 HydrophobicContact CG1-CG 3.93Å; V68-F70 HydrophobicContact CG1-CZ 4.05Å; V68-F70 HydrophobicContact CG2-CE2 4.48Å; V68-F70 PolarHBondContact O-N 2.88Å
69H42.9Very low50.9Low187 Ų187120.7 Ų120.787%0.86662%0.624SS**  trans-81.998.5171.4-13864.6000107.2S67S67-H69 PolarHBondContact O-N 3.33Å
70F46.5Very low50.3Low158 Ų158116.5 Ų116.569%0.69361%0.611SS**  trans-113.9120.8178.2-81.6-50.6000111.9V68 L72V68-F70 HydrophobicContact CB-CD2 4.39Å; V68-F70 HydrophobicContact CB-CE2 4.32Å; V68-F70 HydrophobicContact CG1-CD2 2.94Å; V68-F70 HydrophobicContact CG1-CE2 3.01Å; V68-F70 HydrophobicContact CG1-CG 3.93Å; V68-F70 HydrophobicContact CG1-CZ 4.05Å; V68-F70 HydrophobicContact CG2-CE2 4.48Å; V68-F70 PolarHBondContact O-N 2.88Å; F70-L72 PolarHBondContact O-N 3.04Å
71D43Very low49.9Very low153 Ų153112.9 Ų112.982%0.81860%0.603SS**  trans-50.5121.1170.2-74.6-45.1000110.1N73D71-N73 PolarHBondContact O-N 3.29Å
72L47.8Very low49.6Very low173 Ų173114.8 Ų114.891%0.90661%0.614SS**THydrogen-bonded Turntrans-70.530.1-167.7-76.8163.8000115.4F70F70-L72 PolarHBondContact O-N 3.04Å
73N45Very low49.9Very low158 Ų158114.6 Ų114.685%0.84562%0.618SS**THydrogen-bonded Turntrans-115.3-3.1-177.1-79.7-13.7000116.4D71D71-N73 PolarHBondContact O-N 3.29Å
74E41.8Very low50.2Low182 Ų182117 Ų11785%0.8563%0.628SS**SBendtrans-125.4105162.9-81-176.5161.200109.6D76E74-D76 PolarHBondContact O-N 3.28Å
75G43.3Very low50.2Low87 Ų87117.1 Ų117.190%0.89763%0.63SS**  trans-62107.5171.100000109.6
76D45.3Very low50.6Low100 Ų100116.1 Ų116.154%0.53562%0.624SS.*  trans-124.1111.4174.5-143.77.5000109.8E74 R78E74-D76 PolarHBondContact O-N 3.28Å; D76-R78 PolarHBondContact O-N 2.9Å; D76-R78 WeakPolarHBondContact OD2-CD 3.34Å; D76-R78 IonicContact OD2-NE 2.75Å; D76-R78 PolarHBondContact OD2-NE 3.01Å; D76-R78 VanDerWaalsContact OD2-NE 3.15Å
77N50.3Low51.3Low136 Ų136113.3 Ų113.373%0.72761%0.614SS**THydrogen-bonded Turntrans-52.84.1177.1-73.9-44.2000115S80 S81N77-S80 PolarHBondContact O-OG 3.34Å; N77-S81 PolarHBondContact O-N 3.34Å
78R48.5Very low52Low179 Ų179113.3 Ų113.368%0.67561%0.606SS**Hα-helixtrans-70.2-42.5-179.2-64.8-175.1-176.6-141.1-3.9112D76 S81 V82D76-R78 PolarHBondContact O-N 2.9Å; D76-R78 WeakPolarHBondContact OD2-CD 3.34Å; D76-R78 IonicContact OD2-NE 2.75Å; D76-R78 PolarHBondContact OD2-NE 3.01Å; D76-R78 VanDerWaalsContact OD2-NE 3.15Å; R78-S81 PolarHBondContact O-N 3.4Å; R78-S81 PolarHBondContact O-OG 3.2Å; R78-V82 WeakPolarHBondContact O-CG2 3.43Å; R78-V82 PolarHBondContact O-N 3.42Å
79V48.2Very low52.7Low75 Ų75111 Ų11146%0.45559%0.594SS.*Hα-helixtrans-66.9-41-178.2-177.30000111.3S81 V82 S83V79-S81 VanDerWaalsContact C-N 3.29Å; V79-S81 PolarHBondContact O-N 3.18Å; V79-V82 PolarHBondContact O-N 3.45Å; V79-S83 VanDerWaalsContact O-CB 3.32Å; V79-S83 WeakPolarHBondContact O-CB 3.35Å; V79-S83 PolarHBondContact O-N 3.42Å
80S51.6Low53.8Low62 Ų62103.7 Ų103.743%0.43456%0.562SS.*Hα-helixtrans-63.2-36174.361.90000111.7N77 N84N77-S80 PolarHBondContact O-OG 3.34Å; S80-N84 VanDerWaalsContact O-CB 3.28Å; S80-N84 WeakPolarHBondContact O-CB 3.42Å; S80-N84 VanDerWaalsContact O-CG 3.29Å; S80-N84 PolarHBondContact O-N 3.01Å; S80-N84 PolarHBondContact O-ND2 3.31Å
81S54.1Low54.9Low57 Ų5799.3 Ų99.340%0.39955%0.551SS.*Hα-helixtrans-67.1-43.5175.586.40000113.2N77 R78 V79 N84 M85N77-S81 PolarHBondContact O-N 3.34Å; R78-S81 PolarHBondContact O-N 3.4Å; R78-S81 PolarHBondContact O-OG 3.2Å; V79-S81 VanDerWaalsContact C-N 3.29Å; V79-S81 PolarHBondContact O-N 3.18Å; S81-N84 PolarHBondContact O-N 3.38Å; S81-M85 WeakPolarHBondContact O-CG 3.45Å; S81-M85 PolarHBondContact O-N 3.4Å
82V54.4Low56Low72 Ų7294.3 Ų94.344%0.43652%0.523SS..Hα-helixtrans-71.6-39.6-178.4177.60000110.7L65 R78 V79 M85 H86L65-V82 HydrophobicContact CD2-CG1 4.13Å; R78-V82 WeakPolarHBondContact O-CG2 3.43Å; R78-V82 PolarHBondContact O-N 3.42Å; V79-V82 PolarHBondContact O-N 3.45Å; V82-M85 PolarHBondContact O-N 3.1Å; V82-H86 PolarHBondContact O-N 2.97Å
83S63.9Low56.6Low56 Ų5686.2 Ų86.239%0.39248%0.481SS..Hα-helixtrans-61-44.3172.4-1760000111.3V79 M85 H86 Q87V79-S83 VanDerWaalsContact O-CB 3.32Å; V79-S83 WeakPolarHBondContact O-CB 3.35Å; V79-S83 PolarHBondContact O-N 3.42Å; S83-M85 PolarHBondContact O-N 3.31Å; S83-H86 PolarHBondContact O-N 3.45Å; S83-Q87 WeakPolarHBondContact O-CB 3.46Å; S83-Q87 PolarHBondContact O-N 3.4Å
84N62.1Low57.8Low113 Ų11383 Ų8360%0.60446%0.461SS*.Hα-helixtrans-63.3-40174.7-82.9-22.8000113.1S80 S81 Q87 N88S80-N84 VanDerWaalsContact O-CB 3.28Å; S80-N84 WeakPolarHBondContact O-CB 3.42Å; S80-N84 VanDerWaalsContact O-CG 3.29Å; S80-N84 PolarHBondContact O-N 3.01Å; S80-N84 PolarHBondContact O-ND2 3.31Å; S81-N84 PolarHBondContact O-N 3.38Å; N84-Q87 PolarHBondContact O-N 3.07Å; N84-N88 WeakPolarHBondContact O-CB 2.9Å; N84-N88 PolarHBondContact O-N 3.22Å
85M57.9Low59.2Low133 Ų13378.9 Ų78.966%0.65544%0.441SS*.Hα-helixtrans-64.2-41.4175.8-74.9-178.169.200112.1S81 V82 S83 N88 A89S81-M85 WeakPolarHBondContact O-CG 3.45Å; S81-M85 PolarHBondContact O-N 3.4Å; V82-M85 PolarHBondContact O-N 3.1Å; S83-M85 PolarHBondContact O-N 3.31Å; M85-N88 PolarHBondContact O-N 3.49Å; M85-A89 PolarHBondContact O-N 3.45Å
86H64Low60.2Low28 Ų2874.9 Ų74.913%0.1340%0.4CS..Hα-helixtrans-65-47.6175177.667.4000111.4V61 L65 V82 S83 N88 A89 V90V61-H86 HydrophobicContact CG1-CB 4.43Å; L65-H86 HydrophobicContact CD1-CB 4.22Å; V82-H86 PolarHBondContact O-N 2.97Å; S83-H86 PolarHBondContact O-N 3.45Å; H86-N88 PolarHBondContact O-N 3.47Å; H86-A89 PolarHBondContact O-N 3.26Å; H86-A89 VanDerWaalsContact O-N 3.09Å; H86-V90 WeakPolarHBondContact O-CG2 3.49Å; H86-V90 PolarHBondContact O-N 3.03Å
87Q67.9Low61.3Low115 Ų11571.7 Ų71.754%0.53738%0.382SS..Hα-helixtrans-57.9-39.2177.7-165.769.9-1.100111.6S83 N84 S91S83-Q87 WeakPolarHBondContact O-CB 3.46Å; S83-Q87 PolarHBondContact O-N 3.4Å; N84-Q87 PolarHBondContact O-N 3.07Å; Q87-S91 VanDerWaalsContact O-CB 3.31Å; Q87-S91 WeakPolarHBondContact O-CB 3.22Å; Q87-S91 PolarHBondContact O-N 3.12Å; Q87-S91 PolarHBondContact O-OG 3.25Å
88N67Low62.4Low91 Ų9168.9 Ų68.949%0.48737%0.367SS..Hα-helixtrans-67.1-43.7175.1-168.5-3000112N84 M85 H86 S91 Q92N84-N88 WeakPolarHBondContact O-CB 2.9Å; N84-N88 PolarHBondContact O-N 3.22Å; M85-N88 PolarHBondContact O-N 3.49Å; H86-N88 PolarHBondContact O-N 3.47Å; N88-S91 PolarHBondContact O-N 3.05Å; N88-Q92 WeakPolarHBondContact O-CG 3.47Å; N88-Q92 PolarHBondContact O-N 3.01Å; N88-Q92 PolarHBondContact OD1-NE2 3.48Å
89A61.6Low63.5Low17 Ų1761.6 Ų61.614%0.1434%0.341CS..Hα-helixtrans-64.3-40.9177.100000112.7M85 H86 Q92 L93M85-A89 PolarHBondContact O-N 3.45Å; H86-A89 PolarHBondContact O-N 3.26Å; H86-A89 VanDerWaalsContact O-N 3.09Å; A89-Q92 PolarHBondContact O-N 3.18Å; A89-L93 WeakPolarHBondContact O-CG 3.5Å; A89-L93 PolarHBondContact O-N 2.95Å
90V65.4Low64.6Low32 Ų3258.2 Ų58.219%0.19432%0.32CS..Hα-helixtrans-64.6-43.4174.2172.20000110.7Y54 H86 Q92 L93 Q94Y54-V90 HydrophobicContact CE2-CG1 4.31Å; H86-V90 WeakPolarHBondContact O-CG2 3.49Å; H86-V90 PolarHBondContact O-N 3.03Å; V90-Q92 VanDerWaalsContact C-N 3.31Å; V90-Q92 PolarHBondContact O-N 3.11Å; V90-L93 PolarHBondContact O-N 3.39Å; V90-Q94 PolarHBondContact O-N 2.98Å
91S70Confident65.8Low66 Ų6658.6 Ų58.646%0.46232%0.318SS..Hα-helixtrans-60.7-40176.1-59.20000112Q87 N88 Q94 E95Q87-S91 VanDerWaalsContact O-CB 3.31Å; Q87-S91 WeakPolarHBondContact O-CB 3.22Å; Q87-S91 PolarHBondContact O-N 3.12Å; Q87-S91 PolarHBondContact O-OG 3.25Å; N88-S91 PolarHBondContact O-N 3.05Å; S91-Q94 PolarHBondContact O-N 3.42Å; S91-E95 PolarHBondContact O-N 3.28Å
92Q65.9Low66.9Low49 Ų4958.1 Ų58.123%0.22931%0.31CS..Hα-helixtrans-68.1-39.7175.4-72.4176.728.700112.6V5 N88 A89 V90 Q94 E95 L96V5-Q92 HydrophobicContact CG1-CB 3.81Å; N88-Q92 WeakPolarHBondContact O-CG 3.47Å; N88-Q92 PolarHBondContact O-N 3.01Å; N88-Q92 PolarHBondContact OD1-NE2 3.48Å; A89-Q92 PolarHBondContact O-N 3.18Å; V90-Q92 VanDerWaalsContact C-N 3.31Å; V90-Q92 PolarHBondContact O-N 3.11Å; Q92-Q94 VanDerWaalsContact C-N 3.33Å; Q92-E95 WeakPolarHBondContact O-CB 3.05Å; Q92-E95 PolarHBondContact O-N 3.15Å; Q92-L96 VanDerWaalsContact O-CG 3.27Å; Q92-L96 WeakPolarHBondContact O-CG 3.39Å; Q92-L96 PolarHBondContact O-N 3.04Å; Q92-L96 VanDerWaalsContact O-N 3.08Å
93L61.1Low67.8Low2 Ų254.9 Ų54.91%0.0129%0.291CS..Hα-helixtrans-64.5-39175.2-76166.2000111.7V5 L8 I53 Y54 A89 V90 L96 L97V5-L93 HydrophobicContact CG2-CD1 4.35Å; V5-L93 HydrophobicContact CG2-CD2 4.18Å; V5-L93 HydrophobicContact CG2-CG 4.14Å; L8-L93 HydrophobicContact CD2-CD2 4.14Å; I53-L93 HydrophobicContact CB-CD2 4.25Å; I53-L93 HydrophobicContact CG2-CD1 3.92Å; I53-L93 HydrophobicContact CG2-CD2 3.99Å; Y54-L93 HydrophobicContact CD2-CD1 4.36Å; A89-L93 WeakPolarHBondContact O-CG 3.5Å; A89-L93 PolarHBondContact O-N 2.95Å; V90-L93 PolarHBondContact O-N 3.39Å; L93-L96 PolarHBondContact O-N 3.35Å; L93-L97 WeakPolarHBondContact O-CG 3.5Å; L93-L97 PolarHBondContact O-N 3.32Å
94Q69.7Low68.3Low92 Ų9253.4 Ų53.443%0.4328%0.281SS..Hα-helixtrans-62.5-45.1173.7-171.162.152.900111.2V90 S91 Q92 L96 L97 D98V90-Q94 PolarHBondContact O-N 2.98Å; S91-Q94 PolarHBondContact O-N 3.42Å; Q92-Q94 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.21Å; Q94-L97 PolarHBondContact O-N 3.47Å; Q94-D98 PolarHBondContact NE2-OD1 3.19Å; Q94-D98 WeakPolarHBondContact O-CB 3.47Å; Q94-D98 PolarHBondContact O-N 2.88Å
95E70.2Confident69.3Low94 Ų9448.1 Ų48.144%0.43925%0.252SS..Hα-helixtrans-57-35.7174.9-168.7-168.5168.900112R9 S91 Q92 M99R9-E95 IonicContact CZ-OE1 3.23Å; R9-E95 IonicContact CZ-OE2 2.9Å; R9-E95 IonicContact NH1-OE1 2.89Å; R9-E95 IonicContact NH1-OE2 2.65Å; R9-E95 PolarHBondContact NH1-OE2 3.34Å; R9-E95 IonicContact NH2-OE1 2.77Å; R9-E95 PolarHBondContact NH2-OE1 3.06Å; R9-E95 IonicContact NH2-OE2 3.84Å; R9-E95 PolarHBondContact NH2-OE2 3.2Å; S91-E95 PolarHBondContact O-N 3.28Å; Q92-E95 WeakPolarHBondContact O-CB 3.05Å; Q92-E95 PolarHBondContact O-N 3.15Å; E95-M99 WeakPolarHBondContact O-CB 3.33Å; E95-M99 PolarHBondContact O-N 2.94Å; E95-M99 VanDerWaalsContact O-N 3.09Å
96L65.3Low70.3Confident4 Ų442 Ų422%0.02122%0.222CC..Hα-helixtrans-75-41.8177.6-65.9172.8000112.6L8 R9 L12 Q92 L93 Q94 D98 M99 H100L8-L96 HydrophobicContact CB-CD1 4.23Å; L8-L96 HydrophobicContact CD2-CD1 3.74Å; L8-L96 HydrophobicContact CG-CD1 4.28Å; R9-L96 HydrophobicContact CB-CD1 4.08Å; R9-L96 HydrophobicContact CB-CD2 3.9Å; R9-L96 HydrophobicContact CG-CD2 4Å; L12-L96 HydrophobicContact CB-CD2 4.3Å; L12-L96 HydrophobicContact CD2-CB 3.87Å; L12-L96 HydrophobicContact CD2-CD2 3.74Å; L12-L96 HydrophobicContact CD2-CG 4.41Å; L12-L96 WeakPolarHBondContact CD2-O 3.45Å; Q92-L96 VanDerWaalsContact O-CG 3.27Å; Q92-L96 WeakPolarHBondContact O-CG 3.39Å; Q92-L96 PolarHBondContact O-N 3.04Å; Q92-L96 VanDerWaalsContact O-N 3.08Å; L93-L96 PolarHBondContact O-N 3.35Å; Q94-L96 PolarHBondContact O-N 3.21Å; L96-D98 VanDerWaalsContact C-N 3.33Å; L96-M99 HydrophobicContact CD2-CE 3.86Å; L96-M99 PolarHBondContact O-N 2.84Å; L96-H100 PolarHBondContact O-N 3.35Å
97L69.3Low70.9Confident33 Ų3341.2 Ų41.217%0.17322%0.219CC..Hα-helixtrans-61.4-44173.9-73.8165.8000110.8A50 L93 Q94 M99 H100 D101A50-L97 HydrophobicContact CB-CD2 4.04Å; L93-L97 WeakPolarHBondContact O-CG 3.5Å; L93-L97 PolarHBondContact O-N 3.32Å; Q94-L97 PolarHBondContact O-N 3.47Å; L97-M99 VanDerWaalsContact C-N 3.29Å; L97-M99 PolarHBondContact O-N 3.25Å; L97-H100 WeakPolarHBondContact O-CB 3.28Å; L97-H100 PolarHBondContact O-N 3.45Å; L97-D101 VanDerWaalsContact O-CG 3.31Å; L97-D101 PolarHBondContact O-N 3.47Å
98D73.3Confident71.6Confident77 Ų7740 Ų4041%0.41221%0.213SC..Hα-helixtrans-60.5-39.5175.6-64.3-12.3000111.5Q94 L96 N102Q94-D98 PolarHBondContact NE2-OD1 3.19Å; Q94-D98 WeakPolarHBondContact O-CB 3.47Å; Q94-D98 PolarHBondContact O-N 2.88Å; L96-D98 VanDerWaalsContact C-N 3.33Å; D98-N102 WeakPolarHBondContact O-CB 3.49Å; D98-N102 PolarHBondContact O-N 3.02Å; D98-N102 VanDerWaalsContact O-N 3.08Å; D98-N102 PolarHBondContact O-ND2 2.89Å
99M70.4Confident72.4Confident25 Ų2535.6 Ų35.612%0.12319%0.19CC..Hα-helixtrans-67.7-39.7176.4179.7159.268.800112.8L12 L13 K16 E95 L96 L97 C103L12-M99 HydrophobicContact CB-CE 3.77Å; L12-M99 HydrophobicContact CD2-CB 3.89Å; L12-M99 HydrophobicContact CD2-CE 3.41Å; L12-M99 VanDerWaalsContact CD2-CE 3.41Å; L12-M99 HydrophobicContact CD2-CG 4.01Å; L12-M99 HydrophobicContact CG-CE 3.49Å; L12-M99 VanDerWaalsContact CG-CE 3.49Å; L12-M99 HydrophobicContact CG-CG 4.27Å; L13-M99 HydrophobicContact CD2-CE 3.91Å; L13-M99 HydrophobicContact CD2-SD 4.02Å; L13-M99 HydrophobicContact CG-CE 4Å; K16-M99 HydrophobicContact CB-SD 4.45Å; K16-M99 HydrophobicContact CD-CG 3.97Å; K16-M99 HydrophobicContact CD-SD 3.47Å; K16-M99 WeakPolarHBondContact CD-SD 3.27Å; E95-M99 WeakPolarHBondContact O-CB 3.33Å; E95-M99 PolarHBondContact O-N 2.94Å; E95-M99 VanDerWaalsContact O-N 3.09Å; L96-M99 HydrophobicContact CD2-CE 3.86Å; L96-M99 PolarHBondContact O-N 2.84Å; L97-M99 VanDerWaalsContact C-N 3.29Å; L97-M99 PolarHBondContact O-N 3.25Å; M99-C103 PolarHBondContact O-N 2.9Å; M99-C103 PolarHBondContact O-SG 2.71Å
100H72.3Confident73.5Confident5 Ų535.3 Ų35.32%0.02319%0.185CC..Hα-helixtrans-61.2-49.9173.5171.6-79.7000110.7L12 F43 L96 L97 N102 C103 S104L12-H100 HydrophobicContact CD1-CB 4.27Å; L12-H100 HydrophobicContact CD2-CB 4.49Å; F43-H100 AromaticContact CD1-CD2 3.8Å; F43-H100 PolarHBondContact O-CD2 3.48Å; F43-H100 VanDerWaalsContact O-CD2 3.32Å; F43-H100 PolarHBondContact O-NE2 3.43Å; L96-H100 PolarHBondContact O-N 3.35Å; L97-H100 WeakPolarHBondContact O-CB 3.28Å; L97-H100 PolarHBondContact O-N 3.45Å; H100-N102 PolarHBondContact O-N 3.25Å; H100-C103 WeakPolarHBondContact O-CA 3.4Å; H100-C103 WeakPolarHBondContact O-CB 3.23Å; H100-C103 PolarHBondContact O-N 3.12Å; H100-S104 PolarHBondContact CE1-OG 2.64Å; H100-S104 PolarHBondContact O-N 3.14Å
101D76Confident74.3Confident70 Ų7039.7 Ų39.737%0.37420%0.204SC..Hα-helixtrans-63.1-32.4-177.7-68.9-11.7000112.2L97 C103 Y105 K190L97-D101 VanDerWaalsContact O-CG 3.31Å; L97-D101 PolarHBondContact O-N 3.47Å; D101-C103 VanDerWaalsContact C-N 3.33Å; D101-Y105 WeakPolarHBondContact O-CB 3.47Å; D101-Y105 PolarHBondContact O-N 3.04Å; D101-K190 VanDerWaalsContact C-NZ 3.33Å; D101-K190 PolarHBondContact O-NZ 3.06Å
102N77.8Confident75.1Confident46 Ų4636.6 Ų36.625%0.24618%0.182CC..Hα-helixtrans-64.4-36.4171.4-74.9-35.2000112.6D98 H100 L106 K190D98-N102 WeakPolarHBondContact O-CB 3.49Å; D98-N102 PolarHBondContact O-N 3.02Å; D98-N102 VanDerWaalsContact O-N 3.08Å; D98-N102 PolarHBondContact O-ND2 2.89Å; H100-N102 PolarHBondContact O-N 3.25Å; N102-L106 WeakPolarHBondContact O-CG 3.44Å; N102-L106 PolarHBondContact O-N 3Å; N102-K190 WeakPolarHBondContact OD1-CD 3.34Å
103C72.2Confident76Confident4 Ų434.3 Ų34.33%0.02717%0.172CC..Hα-helixtrans-74.4-44.8179.9-68.20000112.1L19 F43 M99 H100 D101 Y105 L106 L107L19-C103 HydrophobicContact CD2-CB 3.44Å; L19-C103 VanDerWaalsContact CD2-CB 3.44Å; F43-C103 HydrophobicContact CD1-CB 4.06Å; F43-C103 HydrophobicContact CD2-CB 4.46Å; F43-C103 HydrophobicContact CE1-CB 3.46Å; F43-C103 VanDerWaalsContact CE1-CB 3.46Å; F43-C103 HydrophobicContact CE2-CB 3.91Å; F43-C103 HydrophobicContact CZ-CB 3.38Å; F43-C103 VanDerWaalsContact CZ-SG 3.57Å; M99-C103 PolarHBondContact O-N 2.9Å; M99-C103 PolarHBondContact O-SG 2.71Å; H100-C103 WeakPolarHBondContact O-CA 3.4Å; H100-C103 WeakPolarHBondContact O-CB 3.23Å; H100-C103 PolarHBondContact O-N 3.12Å; D101-C103 VanDerWaalsContact C-N 3.33Å; C103-Y105 VanDerWaalsContact C-N 3.28Å; C103-Y105 PolarHBondContact O-N 3.46Å; C103-L106 PolarHBondContact O-N 3.32Å; C103-L107 PolarHBondContact O-N 2.99Å
104S75.5Confident77.1Confident25 Ų2536.5 Ų36.518%0.17518%0.183CC..Hα-helixtrans-59.2-39.6175.2-60.30000112.1H100 L106 L107 E108H100-S104 PolarHBondContact CE1-OG 2.64Å; H100-S104 PolarHBondContact O-N 3.14Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 3.48Å; S104-L107 WeakPolarHBondContact O-CB 3.34Å; S104-L107 PolarHBondContact O-N 2.95Å; S104-E108 PolarHBondContact O-N 2.81Å
105Y82.9Confident77.9Confident3 Ų334.6 Ų34.61%0.01218%0.18CC..Hα-helixtrans-59-40.9175.7168.1-95000113.5D101 C103 L107 E108 L109 L185 K188 K190 F192 F200D101-Y105 WeakPolarHBondContact O-CB 3.47Å; D101-Y105 PolarHBondContact O-N 3.04Å; C103-Y105 VanDerWaalsContact C-N 3.28Å; C103-Y105 PolarHBondContact O-N 3.46Å; Y105-L107 VanDerWaalsContact C-N 3.28Å; Y105-L107 PolarHBondContact O-N 3.21Å; Y105-E108 PolarHBondContact O-N 2.89Å; Y105-L109 HydrophobicContact CE1-CD2 4.13Å; Y105-L109 WeakPolarHBondContact O-CB 3.48Å; Y105-L109 PolarHBondContact O-N 3.41Å; Y105-L185 WeakPolarHBondContact CE2-O 3.48Å; Y105-L185 VanDerWaalsContact CZ-O 3.31Å; Y105-L185 PolarHBondContact OH-O 2.99Å; Y105-K188 HydrophobicContact CD2-CB 4.49Å; Y105-K188 HydrophobicContact CD2-CD 4.25Å; Y105-K188 HydrophobicContact CE2-CB 3.82Å; Y105-K188 HydrophobicContact CE2-CD 4.11Å; Y105-K190 HydrophobicContact CD1-CD 4.03Å; Y105-K190 HydrophobicContact CD2-CD 4.2Å; Y105-K190 HydrophobicContact CG-CD 3.74Å; Y105-F192 AromaticContact CD1-CE1 3.94Å; Y105-F192 HydrophobicContact CD1-CE1 3.94Å; Y105-F192 AromaticContact CD1-CZ 3.67Å; Y105-F192 HydrophobicContact CD1-CZ 3.67Å; Y105-F192 HydrophobicContact CE1-CE1 4.12Å; Y105-F192 HydrophobicContact CE1-CE2 4.34Å; Y105-F192 AromaticContact CE1-CZ 3.4Å; Y105-F192 HydrophobicContact CE1-CZ 3.4Å; Y105-F200 HydrophobicContact CE1-CE2 4.17Å
106L78.7Confident78.9Confident3 Ų330.1 Ų30.12%0.01616%0.159CC..Hα-helixtrans-66.6-32.5179.1-67.4167.3000112.2L19 L23 N102 C103 S104 H110 F192 V196 F203L19-L106 HydrophobicContact CD2-CD1 4.11Å; L23-L106 HydrophobicContact CD1-CB 3.91Å; L23-L106 HydrophobicContact CD1-CD1 4.27Å; N102-L106 WeakPolarHBondContact O-CG 3.44Å; N102-L106 PolarHBondContact O-N 3Å; C103-L106 PolarHBondContact O-N 3.32Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 3.48Å; L106-H110 PolarHBondContact O-N 2.94Å; L106-H110 VanDerWaalsContact O-N 3.12Å; L106-F192 HydrophobicContact CD2-CE1 4.25Å; L106-V196 HydrophobicContact CD1-CG1 3.59Å; L106-V196 HydrophobicContact CD2-CG1 3.91Å; L106-V196 HydrophobicContact CG-CG1 4.32Å; L106-F203 HydrophobicContact CB-CE2 4.37Å; L106-F203 HydrophobicContact CD2-CE2 3.97Å
107L77.4Confident79.9Confident13 Ų1333 Ų337%0.06817%0.172CC..Hα-helixtrans-69.9-46176-83.1149.3000111.6L19 F36 V40 F43 C103 S104 Y105 L109 H110 Q111L19-L107 HydrophobicContact CD1-CD1 4.06Å; L19-L107 HydrophobicContact CD1-CD2 4.4Å; L19-L107 HydrophobicContact CD1-CG 3.98Å; F36-L107 HydrophobicContact CD1-CD2 3.7Å; F36-L107 HydrophobicContact CE1-CD2 4.43Å; V40-L107 HydrophobicContact CG2-CD1 3.81Å; V40-L107 HydrophobicContact CG2-CD2 3.49Å; V40-L107 VanDerWaalsContact CG2-CD2 3.49Å; V40-L107 HydrophobicContact CG2-CG 4.17Å; F43-L107 HydrophobicContact CD2-CD1 4.37Å; C103-L107 PolarHBondContact O-N 2.99Å; S104-L107 WeakPolarHBondContact O-CB 3.34Å; S104-L107 PolarHBondContact O-N 2.95Å; Y105-L107 VanDerWaalsContact C-N 3.28Å; Y105-L107 PolarHBondContact O-N 3.21Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.43Å; L107-H110 PolarHBondContact O-N 2.81Å; L107-Q111 WeakPolarHBondContact O-CG 3.29Å; L107-Q111 PolarHBondContact O-N 3.45Å
108E82.1Confident80.7Confident88 Ų8834.3 Ų34.341%0.41118%0.184SC..Hα-helixtrans-57.6-46.8174-71.9173.7-165.600110.9S104 Y105 H110 Q111 A112 L185 K188S104-E108 PolarHBondContact O-N 2.81Å; Y105-E108 PolarHBondContact O-N 2.89Å; E108-H110 VanDerWaalsContact C-N 3.34Å; E108-H110 PolarHBondContact O-N 3.13Å; E108-Q111 PolarHBondContact O-N 3.01Å; E108-A112 PolarHBondContact O-N 3.12Å; E108-A112 VanDerWaalsContact O-N 3.13Å; E108-L185 HydrophobicContact CB-CD1 4.27Å; E108-L185 HydrophobicContact CB-CD2 4.37Å; E108-K188 IonicContact OE2-NZ 2.67Å
109L84.2Confident81.5Confident0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-61.2-41.1179.4-177.360.4000112.5Y105 L107 I113 L185 F186 F200 F203Y105-L109 HydrophobicContact CE1-CD2 4.13Å; Y105-L109 WeakPolarHBondContact O-CB 3.48Å; Y105-L109 PolarHBondContact O-N 3.41Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.43Å; L109-I113 HydrophobicContact CD1-CD1 4.08Å; L109-I113 HydrophobicContact CD1-CG1 4.46Å; L109-I113 HydrophobicContact CG-CD1 4.01Å; L109-I113 WeakPolarHBondContact O-CD1 3.43Å; L109-I113 VanDerWaalsContact O-CG1 3.28Å; L109-I113 WeakPolarHBondContact O-CG1 3.39Å; L109-I113 PolarHBondContact O-N 2.79Å; L109-L185 HydrophobicContact CD1-CB 3.84Å; L109-F186 HydrophobicContact CD1-CD1 4.09Å; L109-F186 HydrophobicContact CD1-CD2 3.89Å; L109-F186 HydrophobicContact CD1-CE1 4.04Å; L109-F186 HydrophobicContact CD1-CE2 3.81Å; L109-F186 HydrophobicContact CD1-CG 4.02Å; L109-F186 HydrophobicContact CD1-CZ 3.9Å; L109-F186 HydrophobicContact CD2-CD1 4.24Å; L109-F186 HydrophobicContact CD2-CE1 3.94Å; L109-F186 HydrophobicContact CD2-CZ 4.38Å; L109-F186 HydrophobicContact CG-CE1 4.44Å; L109-F186 HydrophobicContact CG-CZ 4.43Å; L109-F200 HydrophobicContact CD2-CD2 3.94Å; L109-F200 HydrophobicContact CD2-CE2 3.68Å; L109-F203 HydrophobicContact CD2-CB 4.39Å; L109-F203 HydrophobicContact CD2-CD2 3.58Å; L109-F203 HydrophobicContact CD2-CE2 4.13Å; L109-F203 HydrophobicContact CD2-CG 4.31Å; L109-F203 HydrophobicContact CG-CD2 4.03Å; L109-F203 HydrophobicContact CG-CE2 4.4Å; L109-F203 HydrophobicContact CG-CG 4.5Å
110H83.5Confident82.4Confident10 Ų1029.9 Ų29.95%0.04616%0.162CC..Hα-helixtrans-63.1-43177.3-179.260.8000112.7L23 H26 L106 L107 E108 I113 N114 F203L23-H110 HydrophobicContact CD2-CB 4.42Å; H26-H110 AromaticContact CE1-CE1 3.56Å; H26-H110 AromaticContact CE1-NE2 3.88Å; H26-H110 AromaticContact CG-CE1 3.99Å; H26-H110 AromaticContact ND1-CE1 3.52Å; H26-H110 AromaticContact NE2-NE2 3.93Å; L106-H110 PolarHBondContact O-N 2.94Å; L106-H110 VanDerWaalsContact O-N 3.12Å; L107-H110 PolarHBondContact O-N 2.81Å; E108-H110 VanDerWaalsContact C-N 3.34Å; E108-H110 PolarHBondContact O-N 3.13Å; H110-I113 PolarHBondContact O-N 2.89Å; H110-N114 PolarHBondContact CE1-ND2 2.9Å; H110-N114 VanDerWaalsContact CE1-ND2 3.28Å; H110-N114 PolarHBondContact NE2-ND2 2.86Å; H110-N114 PolarHBondContact O-N 3.02Å; H110-F203 HydrophobicContact CB-CE1 3.75Å; H110-F203 HydrophobicContact CB-CZ 3.73Å; H110-F203 AromaticContact CG-CE1 4Å; H110-F203 AromaticContact ND1-CE1 3.57Å
111Q83.3Confident82.9Confident125 Ų12532.5 Ų32.558%0.58418%0.176SC*.Hα-helixtrans-64.9-43.3-179.4-71.7176.7-6.900111.8L107 E108 I113 N114 S115L107-Q111 WeakPolarHBondContact O-CG 3.29Å; L107-Q111 PolarHBondContact O-N 3.45Å; E108-Q111 PolarHBondContact O-N 3.01Å; Q111-I113 PolarHBondContact O-N 2.81Å; Q111-N114 PolarHBondContact O-N 2.64Å; Q111-S115 PolarHBondContact O-N 2.97Å
112A85.8Confident83.2Confident1 Ų134.2 Ų34.21%0.00818%0.182CC..Hα-helixtrans-61.1-44.8177.500000112.3E108 N114 S115 F116 E181 S182 L185E108-A112 PolarHBondContact O-N 3.12Å; E108-A112 VanDerWaalsContact O-N 3.13Å; A112-N114 PolarHBondContact O-N 2.98Å; A112-S115 WeakPolarHBondContact O-CB 3.28Å; A112-S115 PolarHBondContact O-N 2.77Å; A112-F116 PolarHBondContact O-N 2.79Å; A112-E181 HydrophobicContact CB-CG 4.23Å; A112-S182 PolarHBondContact O-OG 3.21Å; A112-L185 HydrophobicContact CB-CD1 3.58Å
113I84.7Confident83.5Confident1 Ų132 Ų321%0.00517%0.17CC..Hα-helixtrans-63.1-42.7179.8-66.5166000111.9L109 H110 Q111 S115 F116 E117 F186 F203 T206 F207L109-I113 HydrophobicContact CD1-CD1 4.08Å; L109-I113 HydrophobicContact CD1-CG1 4.46Å; L109-I113 HydrophobicContact CG-CD1 4.01Å; L109-I113 WeakPolarHBondContact O-CD1 3.43Å; L109-I113 VanDerWaalsContact O-CG1 3.28Å; L109-I113 WeakPolarHBondContact O-CG1 3.39Å; L109-I113 PolarHBondContact O-N 2.79Å; H110-I113 PolarHBondContact O-N 2.89Å; Q111-I113 PolarHBondContact O-N 2.81Å; I113-S115 VanDerWaalsContact C-N 3.33Å; I113-F116 PolarHBondContact O-N 2.93Å; I113-E117 PolarHBondContact O-N 2.86Å; I113-F186 HydrophobicContact CD1-CE2 3.81Å; I113-F186 HydrophobicContact CD1-CZ 3.59Å; I113-F186 HydrophobicContact CG1-CE2 4.04Å; I113-F186 HydrophobicContact CG1-CZ 4.32Å; I113-F203 HydrophobicContact CD1-CB 3.62Å; I113-F203 HydrophobicContact CD1-CD1 4.12Å; I113-F203 HydrophobicContact CD1-CG 4.01Å; I113-T206 HydrophobicContact CG2-CG2 3.79Å; I113-F207 HydrophobicContact CG1-CB 4.42Å
114N83.8Confident84Confident48 Ų4833.2 Ų33.226%0.25718%0.176SC..Hα-helixtrans-65-38.4177-75.3-19000111.9H110 Q111 A112 S118H110-N114 PolarHBondContact CE1-ND2 2.9Å; H110-N114 VanDerWaalsContact CE1-ND2 3.28Å; H110-N114 PolarHBondContact NE2-ND2 2.86Å; H110-N114 PolarHBondContact O-N 3.02Å; Q111-N114 PolarHBondContact O-N 2.64Å; A112-N114 PolarHBondContact O-N 2.98Å; N114-S118 PolarHBondContact O-N 3.22Å; N114-S118 VanDerWaalsContact O-N 3.12Å
115S86.9Confident83.9Confident52 Ų5238.7 Ų38.736%0.36419%0.194SC..Hα-helixtrans-62.2-46.8175.7-167.60000111Q111 A112 I113 E117 S118 S119 T178Q111-S115 PolarHBondContact O-N 2.97Å; A112-S115 WeakPolarHBondContact O-CB 3.28Å; A112-S115 PolarHBondContact O-N 2.77Å; I113-S115 VanDerWaalsContact C-N 3.33Å; S115-E117 PolarHBondContact O-N 2.9Å; S115-S118 PolarHBondContact O-N 3.02Å; S115-S119 PolarHBondContact O-N 3.5Å; S115-S119 PolarHBondContact O-OG 3.04Å; S115-T178 WeakPolarHBondContact OG-CG2 3.45Å
116F91Very high83.3Confident0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-59.3-46.3176.6175.5-120.4000112.9A112 I113 S118 S119 V120 V175 L179 F207 L214A112-F116 PolarHBondContact O-N 2.79Å; I113-F116 PolarHBondContact O-N 2.93Å; F116-S118 VanDerWaalsContact C-N 3.32Å; F116-S118 PolarHBondContact O-N 3.22Å; F116-S119 PolarHBondContact O-N 3.01Å; F116-V120 HydrophobicContact CD2-CG2 4.1Å; F116-V120 HydrophobicContact CE1-CG2 4.44Å; F116-V120 HydrophobicContact CE2-CG2 3.6Å; F116-V120 HydrophobicContact CZ-CG2 3.8Å; F116-V120 WeakPolarHBondContact O-CG2 3.4Å; F116-V120 PolarHBondContact O-N 2.8Å; F116-V175 HydrophobicContact CE2-CG1 4.41Å; F116-L179 HydrophobicContact CD2-CB 3.97Å; F116-L179 HydrophobicContact CD2-CD1 4.49Å; F116-L179 HydrophobicContact CE1-CD1 4.37Å; F116-L179 HydrophobicContact CE2-CB 3.72Å; F116-L179 HydrophobicContact CE2-CD1 3.85Å; F116-L179 HydrophobicContact CE2-CG 4.26Å; F116-L179 HydrophobicContact CZ-CD1 3.79Å; F116-F207 AromaticContact CD1-CD2 3.94Å; F116-F207 HydrophobicContact CD1-CD2 3.94Å; F116-F207 HydrophobicContact CD1-CE2 4.03Å; F116-F207 HydrophobicContact CE1-CD2 4.11Å; F116-F207 HydrophobicContact CE1-CE2 4.02Å; F116-L214 HydrophobicContact CE2-CD2 4.29Å; F116-L214 HydrophobicContact CZ-CD2 4.35Å
117E87.1Confident82.8Confident63 Ų6342.7 Ų42.729%0.29421%0.214SC..Hα-helixtrans-59.7-42176.9-177177177.100112.2I113 S115 N121I113-E117 PolarHBondContact O-N 2.86Å; S115-E117 PolarHBondContact O-N 2.9Å; E117-N121 PolarHBondContact O-N 3.45Å; E117-N121 PolarHBondContact O-ND2 3.46Å
118S86.2Confident81.8Confident61 Ų6143.9 Ų43.943%0.42722%0.224SC..Hα-helixtrans-62.5-44.9176.3-176.40000112N114 S115 F116 V120 N121 Q122N114-S118 PolarHBondContact O-N 3.22Å; N114-S118 VanDerWaalsContact O-N 3.12Å; S115-S118 PolarHBondContact O-N 3.02Å; F116-S118 VanDerWaalsContact C-N 3.32Å; F116-S118 PolarHBondContact O-N 3.22Å; S118-V120 PolarHBondContact O-N 2.89Å; S118-N121 PolarHBondContact O-N 3.14Å; S118-Q122 PolarHBondContact O-N 3.17Å; S118-Q122 VanDerWaalsContact O-N 3.08Å
119S89.6Confident80.1Confident7 Ų747.3 Ų47.35%0.04923%0.233CC..Hα-helixtrans-61.3-43.7179-57.70000112.5S115 F116 N121 Q122 L123 V175 T178S115-S119 PolarHBondContact O-N 3.5Å; S115-S119 PolarHBondContact O-OG 3.04Å; F116-S119 PolarHBondContact O-N 3.01Å; S119-N121 VanDerWaalsContact C-N 3.34Å; S119-N121 PolarHBondContact O-N 3.36Å; S119-Q122 PolarHBondContact O-N 2.97Å; S119-L123 PolarHBondContact O-N 2.83Å; S119-L123 VanDerWaalsContact O-N 3.1Å; S119-V175 WeakPolarHBondContact O-CG2 3.35Å; S119-T178 PolarHBondContact OG-OG1 3.42Å
120V88.6Confident77.9Confident2 Ų252.4 Ų52.41%0.01225%0.252CS..Hα-helixtrans-62.5-41.8177.3171.90000111.2F116 S118 Q122 L123 L124 V175 L214F116-V120 HydrophobicContact CD2-CG2 4.1Å; F116-V120 HydrophobicContact CE1-CG2 4.44Å; F116-V120 HydrophobicContact CE2-CG2 3.6Å; F116-V120 HydrophobicContact CZ-CG2 3.8Å; F116-V120 WeakPolarHBondContact O-CG2 3.4Å; F116-V120 PolarHBondContact O-N 2.8Å; S118-V120 PolarHBondContact O-N 2.89Å; V120-Q122 VanDerWaalsContact C-N 3.33Å; V120-Q122 PolarHBondContact O-N 3.41Å; V120-L123 PolarHBondContact O-N 2.94Å; V120-L124 HydrophobicContact CG1-CD1 3.86Å; V120-L124 WeakPolarHBondContact O-CB 3.38Å; V120-L124 WeakPolarHBondContact O-CG 3.23Å; V120-L124 PolarHBondContact O-N 3.45Å; V120-V175 HydrophobicContact CG2-CG1 4.39Å; V120-L214 HydrophobicContact CG1-CB 4.22Å; V120-L214 HydrophobicContact CG2-CB 4.24Å; V120-L214 HydrophobicContact CG2-CD2 4.28Å
121N82.9Confident75.6Confident60 Ų6055.4 Ų55.432%0.32127%0.274SS..Hα-helixtrans-64.4-35.9177-73.2-47.1000112.5E117 S118 S119 Y125 R213E117-N121 PolarHBondContact O-N 3.45Å; E117-N121 PolarHBondContact O-ND2 3.46Å; S118-N121 PolarHBondContact O-N 3.14Å; S119-N121 VanDerWaalsContact C-N 3.34Å; S119-N121 PolarHBondContact O-N 3.36Å; N121-Y125 WeakPolarHBondContact O-CB 3.49Å; N121-Y125 PolarHBondContact O-N 3.24Å; N121-R213 PolarHBondContact OD1-NH1 3.19Å; N121-R213 PolarHBondContact OD1-NH2 3.49Å; N121-R213 VanDerWaalsContact OD1-NH2 3.14Å
122Q83.1Confident73.1Confident106 Ų10654 Ų5450%0.49527%0.27SS..Hα-helixtrans-65.5-45.3175.1-73.2-176.8-8.700112.2S118 S119 V120 Y125 Q126S118-Q122 PolarHBondContact O-N 3.17Å; S118-Q122 VanDerWaalsContact O-N 3.08Å; S119-Q122 PolarHBondContact O-N 2.97Å; V120-Q122 VanDerWaalsContact C-N 3.33Å; V120-Q122 PolarHBondContact O-N 3.41Å; Q122-Y125 PolarHBondContact O-N 3.45Å; Q122-Q126 WeakPolarHBondContact O-CG 3.48Å; Q122-Q126 PolarHBondContact O-N 3.28Å; Q122-Q126 VanDerWaalsContact O-N 3.09Å
123L85Confident70.6Confident1 Ų158.2 Ų58.21%0.00530%0.295CS..Hα-helixtrans-60.3-47.3176.8179.468.4000111.6S119 V120 Y125 Q126 C127 Y168 C171 V172 V175 L214 I327S119-L123 PolarHBondContact O-N 2.83Å; S119-L123 VanDerWaalsContact O-N 3.1Å; V120-L123 PolarHBondContact O-N 2.94Å; L123-Y125 VanDerWaalsContact C-N 3.31Å; L123-Y125 PolarHBondContact O-N 2.91Å; L123-Q126 PolarHBondContact O-N 3.47Å; L123-C127 PolarHBondContact O-N 3.27Å; L123-C127 VanDerWaalsContact O-N 3.12Å; L123-C127 PolarHBondContact O-SG 3.2Å; L123-C127 VanDerWaalsContact O-SG 3.39Å; L123-Y168 HydrophobicContact CD1-CD2 4.05Å; L123-Y168 HydrophobicContact CD1-CE2 3.77Å; L123-C171 HydrophobicContact CB-CB 4.47Å; L123-C171 HydrophobicContact CD1-CB 3.75Å; L123-V172 HydrophobicContact CD1-CG2 4.43Å; L123-V175 HydrophobicContact CB-CG2 4.07Å; L123-V175 HydrophobicContact CD2-CG2 4.19Å; L123-L214 HydrophobicContact CD2-CD1 3.7Å; L123-I327 HydrophobicContact CD2-CD1 3.84Å
124L81.2Confident68.1Low29 Ų2964.4 Ų64.415%0.15233%0.329CS..Hα-helixtrans-57.4-43.9176.5-80.1163.7000111.5V120 C127 S128 H217V120-L124 HydrophobicContact CG1-CD1 3.86Å; V120-L124 WeakPolarHBondContact O-CB 3.38Å; V120-L124 WeakPolarHBondContact O-CG 3.23Å; V120-L124 PolarHBondContact O-N 3.45Å; L124-C127 PolarHBondContact O-N 3.19Å; L124-S128 WeakPolarHBondContact O-CB 3.47Å; L124-S128 PolarHBondContact O-N 3.35Å; L124-S128 PolarHBondContact O-OG 3.46Å; L124-H217 HydrophobicContact CD2-CB 3.71Å
125Y73.3Confident65.6Low140 Ų14068.4 Ų68.455%0.54935%0.346SS..Hα-helixtrans-63-41.9178.8-179.5-99.9000112.4N121 Q122 L123 S128 R129N121-Y125 WeakPolarHBondContact O-CB 3.49Å; N121-Y125 PolarHBondContact O-N 3.24Å; Q122-Y125 PolarHBondContact O-N 3.45Å; L123-Y125 VanDerWaalsContact C-N 3.31Å; L123-Y125 PolarHBondContact O-N 2.91Å; Y125-S128 PolarHBondContact O-N 3Å; Y125-R129 PolarHBondContact O-N 2.64Å
126Q71.7Confident62.9Low72 Ų7272 Ų7234%0.33636%0.355SS..Hα-helixtrans-66-39.8178.9-67.5-64.9-3.200112.5Q122 L123Q122-Q126 WeakPolarHBondContact O-CG 3.48Å; Q122-Q126 PolarHBondContact O-N 3.28Å; Q122-Q126 VanDerWaalsContact O-N 3.09Å; L123-Q126 PolarHBondContact O-N 3.47Å
127C68Low60.3Low17 Ų1779.6 Ų79.612%0.11539%0.388CS..Hα-helixtrans-80.3-27.9179.8-58.50000113L123 L124 R129 Y168 H217L123-C127 PolarHBondContact O-N 3.27Å; L123-C127 VanDerWaalsContact O-N 3.12Å; L123-C127 PolarHBondContact O-SG 3.2Å; L123-C127 VanDerWaalsContact O-SG 3.39Å; L124-C127 PolarHBondContact O-N 3.19Å; C127-R129 VanDerWaalsContact C-N 3.3Å; C127-R129 PolarHBondContact O-N 3.11Å; C127-Y168 VanDerWaalsContact SG-CE2 3.57Å; C127-H217 WeakPolarHBondContact CB-CE1 3.3Å; C127-H217 WeakPolarHBondContact CB-NE2 3.42Å; C127-H217 PolarHBondContact SG-NE2 3.35Å; C127-H217 VanDerWaalsContact SG-NE2 3.38Å
128S56Low57.7Low38 Ų3884.5 Ų84.527%0.26641%0.408SS..G310 helixtrans-83.10.4178.8-55.30000113.8L124 Y125 R130 S131L124-S128 WeakPolarHBondContact O-CB 3.47Å; L124-S128 PolarHBondContact O-N 3.35Å; L124-S128 PolarHBondContact O-OG 3.46Å; Y125-S128 PolarHBondContact O-N 3Å; S128-R130 PolarHBondContact O-N 3.18Å; S128-S131 PolarHBondContact O-N 2.75Å
129R45.7Very low54.9Low161 Ų16191 Ų9161%0.60842%0.424SS*.G310 helixtrans-55.9-8.5169.5-98.5-176.8144.5-175.3-7.5113.8Y125 C127Y125-R129 PolarHBondContact O-N 2.64Å; C127-R129 VanDerWaalsContact C-N 3.3Å; C127-R129 PolarHBondContact O-N 3.11Å
130R39.1Very low52.2Low106 Ų10696.9 Ų96.940%0.445%0.45SS..G310 helixtrans-87.2-21.9166.7-94-177.2167.2168.1-0.6116.4S128 C160S128-R130 PolarHBondContact O-N 3.18Å; R130-C160 PolarHBondContact NH2-SG 2.94Å
131S34.2Very low49.7Very low74 Ų74104.1 Ų104.152%0.51749%0.489SS..THydrogen-bonded Turntrans-97.7-34-168.2176.40000113.9S128 V133 D134S128-S131 PolarHBondContact O-N 2.75Å; S131-V133 VanDerWaalsContact C-N 3.28Å; S131-V133 PolarHBondContact O-N 3.04Å; S131-D134 PolarHBondContact O-N 3.39Å
132I31.9Very low47.4Very low94 Ų94106.5 Ų106.548%0.48251%0.506SS..Hα-helixtrans-75.4-14.1-166.2-62.8170.2000113.4D134 K136I132-D134 VanDerWaalsContact C-N 3.35Å; I132-K136 PolarHBondContact O-N 3.17Å
133V33.3Very low44.9Very low90 Ų90106.8 Ų106.855%0.54551%0.514SS..Hα-helixtrans-74.2-26.8177.9-175.50000111.9S131S131-V133 VanDerWaalsContact C-N 3.28Å; S131-V133 PolarHBondContact O-N 3.04Å
134D32.5Very low42.3Very low132 Ų132114.5 Ų114.571%0.70655%0.55SS**Hα-helixtrans-82.6-36.1-179.1-81.5-24.8000113.8S131 I132S131-D134 PolarHBondContact O-N 3.39Å; I132-D134 VanDerWaalsContact C-N 3.35Å
135E30.2Very low39.9Very low131 Ų131123.5 Ų123.561%0.61259%0.588SS**Hα-helixtrans-79.6-32.3179.2-79.6-158.3154.300113.3K137 K138 W139E135-K137 VanDerWaalsContact C-N 3.31Å; E135-K137 PolarHBondContact O-N 3.49Å; E135-K138 PolarHBondContact O-N 3.38Å; E135-W139 PolarHBondContact O-N 3.27Å
136K31Very low37.9Very low128 Ų128121.2 Ų121.256%0.55759%0.593SS**Hα-helixtrans-67-34.2-178.2-129.2-175.9-179-164.90112.3I132 K138 W139 E140I132-K136 PolarHBondContact O-N 3.17Å; K136-K138 VanDerWaalsContact C-N 3.31Å; K136-K138 PolarHBondContact O-N 3.01Å; K136-W139 PolarHBondContact O-N 3.07Å; K136-E140 WeakPolarHBondContact O-CB 3.09Å; K136-E140 WeakPolarHBondContact O-CG 3.49Å; K136-E140 PolarHBondContact O-N 3.03Å
137K35.5Very low35.8Very low160 Ų160125.9 Ų125.970%0.69662%0.619SS**Hα-helixtrans-64.9-34.3171.8-111.9177.5179.81730112.7E135 D141E135-K137 VanDerWaalsContact C-N 3.31Å; E135-K137 PolarHBondContact O-N 3.49Å; K137-D141 PolarHBondContact O-N 3.38Å
138K32.5Very low33.9Very low165 Ų165134.9 Ų134.972%0.71766%0.659SS**Hα-helixtrans-74.8-30.5178.8-121.7176.4-176.1173.10113.3E135 K136 T142E135-K138 PolarHBondContact O-N 3.38Å; K136-K138 VanDerWaalsContact C-N 3.31Å; K136-K138 PolarHBondContact O-N 3.01Å; K138-T142 PolarHBondContact O-OG1 3.31Å
139W28.4Very low32.6Very low199 Ų199136.2 Ų136.275%0.75468%0.679SS**Hα-helixtrans-82.7-31.8175.8-82.710.1000113.5E135 K136 D141 T142 V143E135-W139 PolarHBondContact O-N 3.27Å; K136-W139 PolarHBondContact O-N 3.07Å; W139-D141 VanDerWaalsContact C-N 3.33Å; W139-D141 PolarHBondContact O-N 3.37Å; W139-T142 PolarHBondContact O-N 3.12Å; W139-V143 PolarHBondContact O-N 3.17Å
140E32.9Very low31.7Very low130 Ų130133.8 Ų133.861%0.60769%0.687SS**Hα-helixtrans-71.8-25.3177.9-75.3177.1-176.600113.1K136 T142K136-E140 WeakPolarHBondContact O-CB 3.09Å; K136-E140 WeakPolarHBondContact O-CG 3.49Å; K136-E140 PolarHBondContact O-N 3.03Å; E140-T142 VanDerWaalsContact C-N 3.28Å; E140-T142 PolarHBondContact O-N 3.4Å
141D36Very low30.9Very low153 Ų153136.4 Ų136.482%0.81871%0.706SS**THydrogen-bonded Turntrans-74.9-13.6173.1-87.3-12.3000114.1K137 W139K137-D141 PolarHBondContact O-N 3.38Å; W139-D141 VanDerWaalsContact C-N 3.33Å; W139-D141 PolarHBondContact O-N 3.37Å
142T33.5Very low30.5Very low111 Ų111139.1 Ų139.168%0.68171%0.713SS**THydrogen-bonded Turntrans-105.8-12.8-175.8-33.90000114.1K138 W139 E140K138-T142 PolarHBondContact O-OG1 3.31Å; W139-T142 PolarHBondContact O-N 3.12Å; E140-T142 VanDerWaalsContact C-N 3.28Å; E140-T142 PolarHBondContact O-N 3.4Å
143V30.3Very low30.1Very low111 Ų111140.5 Ų140.567%0.67372%0.722SS**SBendtrans-116.585.4-179.7-172.40000110.8W139W139-V143 PolarHBondContact O-N 3.17Å
144E31.3Very low29.7Very low163 Ų163142.4 Ų142.476%0.76273%0.728SS**  trans37.1107.8141-69.1-176.4146.800118.4S146E144-S146 VanDerWaalsContact C-N 3.28Å; E144-S146 PolarHBondContact O-N 3.27Å
145K31.1Very low29.3Very low218 Ų218145 Ų14595%0.94874%0.736SS**SBend12.967.8113.4-68.6-177.5175.8175.50116.3
146S30.2Very low29.1Very low92 Ų92145.6 Ų145.664%0.64374%0.742SS**  trans-179.898.6146.651.80000108.7E144E144-S146 VanDerWaalsContact C-N 3.28Å; E144-S146 PolarHBondContact O-N 3.27Å
147L29Very low28.9Very low171 Ų171143.6 Ų143.690%0.89574%0.744SS**  -178.8102.1123.7-11187.9000106.9G149L147-G149 PolarHBondContact O-N 3.47Å
148E28.3Very low28.7Very low205 Ų205143.3 Ų143.396%0.95875%0.75SS**  trans-64115.8164.2-69.1171.7151.400108.3
149G27.1Very low28.6Very low66 Ų66143 Ų14368%0.6875%0.749SS**  trans-179.198.3177.600000114L147L147-G149 PolarHBondContact O-N 3.47Å
150S26.5Very low28.7Very low111 Ų111137.6 Ų137.678%0.77674%0.741SS**  trans57.190.2165.466.70000117.9I152S150-I152 PolarHBondContact O-N 2.65Å
151M23.7Very low29.1Very low160 Ų160136 Ų13679%0.78874%0.74SS**  trans-51.8104.5157.3-176.5178.6167.200110.6D153M151-D153 WeakPolarHBondContact CE-OD1 3.39Å; M151-D153 WeakPolarHBondContact CE-OD2 3.34Å
152I25.8Very low29.9Very low132 Ų132132 Ų13268%0.67772%0.719SS**  trans-102.3103.5158.9-61.8175.5000105.1S150 L154S150-I152 PolarHBondContact O-N 2.65Å; I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 HydrophobicContact CG2-CD1 3.82Å; I152-L154 HydrophobicContact CG2-CG 4.23Å; I152-L154 PolarHBondContact O-N 3.36Å
153D23Very low31.3Very low123 Ų123128.9 Ų128.966%0.65870%0.697SS**  trans-57.995.2167.1-84.5-32.9000108.7M151M151-D153 WeakPolarHBondContact CE-OD1 3.39Å; M151-D153 WeakPolarHBondContact CE-OD2 3.34Å
154L24.6Very low33.2Very low130 Ų130127.6 Ų127.668%0.68169%0.686SS**  trans-10885.7162.8-93.8147.6000106.7I152 L156I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 HydrophobicContact CG2-CD1 3.82Å; I152-L154 HydrophobicContact CG2-CG 4.23Å; I152-L154 PolarHBondContact O-N 3.36Å; L154-L156 HydrophobicContact CB-CD1 4.5Å; L154-L156 PolarHBondContact O-N 2.96Å
155E24.8Very low35.2Very low186 Ų186123.8 Ų123.887%0.86967%0.668SS**  trans-58.183.7163.4-68.7179.8155.100109S157E155-S157 PolarHBondContact O-N 2.98Å
156L26.2Very low37.3Very low144 Ų144118.9 Ų118.975%0.75465%0.649SS**  trans-88.297.8172.4-85.3154.6000107.9L154 D158L154-L156 HydrophobicContact CB-CD1 4.5Å; L154-L156 PolarHBondContact O-N 2.96Å; L156-D158 PolarHBondContact O-N 3.48Å
157S26.8Very low39.5Very low85 Ų85117.2 Ų117.259%0.59464%0.635SS**  trans-50126171.5630000110.3E155 K159E155-S157 PolarHBondContact O-N 2.98Å; S157-K159 PolarHBondContact O-N 3.5Å
158D30Very low42Very low154 Ų154109.3 Ų109.382%0.82459%0.593SS**  trans-71.640-175.5-144.94.1000113L156 C160L156-D158 PolarHBondContact O-N 3.48Å; D158-C160 PolarHBondContact O-N 3.22Å; D158-C160 VanDerWaalsContact O-N 3.12Å
159K30.3Very low44.5Very low159 Ų159104.3 Ų104.369%0.69157%0.566SS**  trans-66.7114178-67.8-171.3179.8-171.70107.2S157 V161S157-K159 PolarHBondContact O-N 3.5Å; K159-V161 VanDerWaalsContact O-CG2 3.31Å; K159-V161 WeakPolarHBondContact O-CG2 3.32Å; K159-V161 PolarHBondContact O-N 2.77Å
160C31.9Very low47.2Very low86 Ų86106.6 Ų106.658%0.58156%0.562SS**  trans-55.889.1163.5172.10000108.3R130 D158 D162R130-C160 PolarHBondContact NH2-SG 2.94Å; D158-C160 PolarHBondContact O-N 3.22Å; D158-C160 VanDerWaalsContact O-N 3.12Å; C160-D162 PolarHBondContact O-N 3.13Å
161V40.4Very low50Low96 Ų96102.1 Ų102.158%0.58253%0.53SS*.  trans-69.4107.1-178-177.60000107.2K159K159-V161 VanDerWaalsContact O-CG2 3.31Å; K159-V161 WeakPolarHBondContact O-CG2 3.32Å; K159-V161 PolarHBondContact O-N 2.77Å
162D53.9Low52.9Low70 Ų7094.5 Ų94.537%0.37449%0.492SS..  trans-54.4140.2163-118.5-4.7000108.2C160 D164C160-D162 PolarHBondContact O-N 3.13Å; D162-D164 PolarHBondContact O-N 3.32Å
163I63Low55.8Low45 Ų4590.7 Ų90.723%0.23147%0.474CS..  trans-62.3114.2179.6-64.1168.8000107.6E165 Y168 W225 L320I163-E165 PolarHBondContact O-N 3.15Å; I163-Y168 HydrophobicContact CG2-CD2 3.96Å; I163-Y168 HydrophobicContact CG2-CG 3.94Å; I163-W225 HydrophobicContact CD1-CZ2 4.06Å; I163-L320 HydrophobicContact CG2-CD2 4.11Å
164D69.8Low58.9Low83 Ų8387.2 Ų87.244%0.44446%0.457SS..  trans-62.2122.7175174.752.2000109.7D162 E166 T167 Y168D162-D164 PolarHBondContact O-N 3.32Å; D164-E166 VanDerWaalsContact C-N 3.31Å; D164-E166 PolarHBondContact O-N 2.8Å; D164-T167 PolarHBondContact O-N 2.98Å; D164-T167 VanDerWaalsContact OD2-CB 3.29Å; D164-T167 WeakPolarHBondContact OD2-CB 3.43Å; D164-T167 PolarHBondContact OD2-N 3.21Å; D164-T167 PolarHBondContact OD2-OG1 2.77Å; D164-Y168 WeakPolarHBondContact O-CB 3.39Å; D164-Y168 PolarHBondContact O-N 3.23Å
165E71.8Confident62Low83 Ų8381 Ų8139%0.38843%0.425SS..Hα-helixtrans-63.9-36.6-172.2-172.4176.6160.100111.7I163 R169 G319 L320I163-E165 PolarHBondContact O-N 3.15Å; E165-R169 VanDerWaalsContact O-CB 3.3Å; E165-R169 WeakPolarHBondContact O-CB 3.43Å; E165-R169 PolarHBondContact O-N 3.03Å; E165-G319 WeakPolarHBondContact OE1-CA 3.3Å; E165-L320 HydrophobicContact CB-CD2 4.3Å; E165-L320 HydrophobicContact CG-CD2 4.31Å
166E76.1Confident65Low116 Ų11673 Ų7354%0.54239%0.387SS..Hα-helixtrans-72.4-45.1178.9-64.7-149.1123.700112.6D164 Y168 R169 L170D164-E166 VanDerWaalsContact C-N 3.31Å; D164-E166 PolarHBondContact O-N 2.8Å; E166-Y168 VanDerWaalsContact C-N 3.31Å; E166-Y168 PolarHBondContact O-N 3.4Å; E166-R169 PolarHBondContact O-N 2.82Å; E166-R169 IonicContact OE1-CZ 2.75Å; E166-R169 IonicContact OE1-NH1 2.82Å; E166-R169 IonicContact OE1-NH2 2.68Å; E166-R169 PolarHBondContact OE1-NH2 3.03Å; E166-L170 PolarHBondContact O-N 3.05Å
167T76.9Confident67.9Low57 Ų5769.9 Ų69.935%0.3538%0.375SS..Hα-helixtrans-62.3-41.5176.4-58.20000111D164 L170 C171D164-T167 PolarHBondContact O-N 2.98Å; D164-T167 VanDerWaalsContact OD2-CB 3.29Å; D164-T167 WeakPolarHBondContact OD2-CB 3.43Å; D164-T167 PolarHBondContact OD2-N 3.21Å; D164-T167 PolarHBondContact OD2-OG1 2.77Å; T167-L170 PolarHBondContact O-N 3.18Å; T167-C171 PolarHBondContact O-N 3.27Å; T167-C171 VanDerWaalsContact O-N 3.12Å; T167-C171 PolarHBondContact O-SG 2.88Å
168Y81.5Confident70.9Confident4 Ų466.2 Ų66.22%0.01635%0.348CS..Hα-helixtrans-62.8-47175.8-171.8-112.4000111.3L123 C127 I163 D164 E166 L170 C171 V172 L221 W225 L320 Q323L123-Y168 HydrophobicContact CD1-CD2 4.05Å; L123-Y168 HydrophobicContact CD1-CE2 3.77Å; C127-Y168 VanDerWaalsContact SG-CE2 3.57Å; I163-Y168 HydrophobicContact CG2-CD2 3.96Å; I163-Y168 HydrophobicContact CG2-CG 3.94Å; D164-Y168 WeakPolarHBondContact O-CB 3.39Å; D164-Y168 PolarHBondContact O-N 3.23Å; E166-Y168 VanDerWaalsContact C-N 3.31Å; E166-Y168 PolarHBondContact O-N 3.4Å; Y168-L170 PolarHBondContact O-N 2.75Å; Y168-C171 PolarHBondContact O-N 2.9Å; Y168-V172 HydrophobicContact CD1-CG2 4.02Å; Y168-V172 HydrophobicContact CE1-CG2 3.85Å; Y168-V172 HydrophobicContact CE2-CG2 4.35Å; Y168-V172 HydrophobicContact CG-CG2 4.35Å; Y168-V172 WeakPolarHBondContact O-CB 3.2Å; Y168-V172 WeakPolarHBondContact O-CG2 3.42Å; Y168-V172 PolarHBondContact O-N 3.43Å; Y168-L221 HydrophobicContact CE2-CD1 4.48Å; Y168-W225 HydrophobicContact CE1-CH2 4.46Å; Y168-L320 HydrophobicContact CD1-CD2 3.96Å; Y168-L320 HydrophobicContact CG-CD2 4.35Å; Y168-Q323 HydrophobicContact CD1-CB 3.52Å; Y168-Q323 HydrophobicContact CD1-CG 4.03Å; Y168-Q323 HydrophobicContact CE1-CB 3.41Å; Y168-Q323 VanDerWaalsContact CE1-CB 3.41Å; Y168-Q323 HydrophobicContact CE1-CG 4.41Å
169R81.5Confident73.7Confident100 Ų10059 Ų5938%0.37731%0.31SS..Hα-helixtrans-55.1-47.2175.3179.9-175.363.7-157.2-5.9112.2E165 E166 C171 V172 D173 Q323E165-R169 VanDerWaalsContact O-CB 3.3Å; E165-R169 WeakPolarHBondContact O-CB 3.43Å; E165-R169 PolarHBondContact O-N 3.03Å; E166-R169 PolarHBondContact O-N 2.82Å; E166-R169 IonicContact OE1-CZ 2.75Å; E166-R169 IonicContact OE1-NH1 2.82Å; E166-R169 IonicContact OE1-NH2 2.68Å; E166-R169 PolarHBondContact OE1-NH2 3.03Å; R169-C171 PolarHBondContact O-N 3.48Å; R169-V172 WeakPolarHBondContact O-CB 3.44Å; R169-V172 PolarHBondContact O-N 2.9Å; R169-D173 VanDerWaalsContact O-CG 3.24Å; R169-D173 PolarHBondContact O-N 3.32Å; R169-Q323 HydrophobicContact CB-CG 4.3Å
170L82.3Confident76.5Confident115 Ų11557 Ų5760%0.60230%0.303SS*.Hα-helixtrans-63.5-40.2179.8-17469000112.5E166 T167 Y168 D173 T174E166-L170 PolarHBondContact O-N 3.05Å; T167-L170 PolarHBondContact O-N 3.18Å; Y168-L170 PolarHBondContact O-N 2.75Å; L170-D173 PolarHBondContact O-N 2.9Å; L170-T174 PolarHBondContact O-N 3.19Å; L170-T174 VanDerWaalsContact O-N 3.14Å; L170-T174 PolarHBondContact O-OG1 3.31Å
171C84.9Confident79.1Confident16 Ų1657.8 Ų57.811%0.10830%0.298CS..Hα-helixtrans-65.6-42.9175.5-64.40000111.2L123 T167 Y168 R169 T174 V175L123-C171 HydrophobicContact CB-CB 4.47Å; L123-C171 HydrophobicContact CD1-CB 3.75Å; T167-C171 PolarHBondContact O-N 3.27Å; T167-C171 VanDerWaalsContact O-N 3.12Å; T167-C171 PolarHBondContact O-SG 2.88Å; Y168-C171 PolarHBondContact O-N 2.9Å; R169-C171 PolarHBondContact O-N 3.48Å; C171-T174 PolarHBondContact O-N 3.37Å; C171-V175 WeakPolarHBondContact O-CG2 3.41Å; C171-V175 PolarHBondContact O-N 3.4Å
172V86.2Confident81.3Confident0 Ų053.2 Ų53.20%027%0.27CS..Hα-helixtrans-58.8-47.7175.1171.60000110.8L123 Y168 R169 T174 V175 I176 Q323 R326 I327L123-V172 HydrophobicContact CD1-CG2 4.43Å; Y168-V172 HydrophobicContact CD1-CG2 4.02Å; Y168-V172 HydrophobicContact CE1-CG2 3.85Å; Y168-V172 HydrophobicContact CE2-CG2 4.35Å; Y168-V172 HydrophobicContact CG-CG2 4.35Å; Y168-V172 WeakPolarHBondContact O-CB 3.2Å; Y168-V172 WeakPolarHBondContact O-CG2 3.42Å; Y168-V172 PolarHBondContact O-N 3.43Å; R169-V172 WeakPolarHBondContact O-CB 3.44Å; R169-V172 PolarHBondContact O-N 2.9Å; V172-T174 VanDerWaalsContact C-N 3.31Å; V172-T174 PolarHBondContact O-N 2.98Å; V172-V175 PolarHBondContact O-N 3.03Å; V172-I176 HydrophobicContact CG1-CD1 3.59Å; V172-I176 HydrophobicContact CG1-CG1 4.25Å; V172-I176 WeakPolarHBondContact O-CG1 3.5Å; V172-I176 PolarHBondContact O-N 3.39Å; V172-Q323 HydrophobicContact CG2-CB 4.2Å; V172-R326 HydrophobicContact CG1-CB 4.41Å; V172-I327 HydrophobicContact CB-CD1 4.44Å; V172-I327 HydrophobicContact CB-CG1 4.35Å; V172-I327 HydrophobicContact CG1-CD1 4.3Å; V172-I327 HydrophobicContact CG1-CG1 3.7Å; V172-I327 HydrophobicContact CG2-CD1 3.63Å; V172-I327 HydrophobicContact CG2-CG1 4Å
173D86.3Confident82.9Confident53 Ų5351.8 Ų51.828%0.28326%0.262SS..Hα-helixtrans-59.6-41.4179.4-68.6-26.3000112R169 L170 I176 T177 R326R169-D173 VanDerWaalsContact O-CG 3.24Å; R169-D173 PolarHBondContact O-N 3.32Å; L170-D173 PolarHBondContact O-N 2.9Å; D173-I176 PolarHBondContact O-N 2.76Å; D173-T177 WeakPolarHBondContact O-CB 3.41Å; D173-T177 VanDerWaalsContact O-CG2 3.31Å; D173-T177 WeakPolarHBondContact O-CG2 3.09Å; D173-T177 PolarHBondContact O-N 2.69Å; D173-T177 PolarHBondContact O-OG1 3.28Å; D173-R326 IonicContact OD1-CZ 3.77Å; D173-R326 IonicContact OD1-NH1 2.81Å; D173-R326 PolarHBondContact OD1-NH1 3.18Å; D173-R326 IonicContact OD1-NH2 2.76Å; D173-R326 PolarHBondContact OD1-NH2 3.19Å
174T87.5Confident84Confident49 Ų4955.2 Ų55.230%0.30128%0.276SS..Hα-helixtrans-66.9-39.7177.9-49.10000111.6L170 C171 V172 T177 T178L170-T174 PolarHBondContact O-N 3.19Å; L170-T174 VanDerWaalsContact O-N 3.14Å; L170-T174 PolarHBondContact O-OG1 3.31Å; C171-T174 PolarHBondContact O-N 3.37Å; V172-T174 VanDerWaalsContact C-N 3.31Å; V172-T174 PolarHBondContact O-N 2.98Å; T174-T177 WeakPolarHBondContact CA-OG1 3.39Å; T174-T177 PolarHBondContact O-OG1 3.43Å; T174-T178 WeakPolarHBondContact O-CG2 3.15Å; T174-T178 PolarHBondContact O-N 2.91Å; T174-T178 PolarHBondContact O-OG1 3.47Å
175V90Very high84.7Confident1 Ų151.7 Ų51.71%0.00626%0.258CS..Hα-helixtrans-67-44.2176.5170.10000111.5F116 S119 V120 L123 C171 V172 T178 L179 L214F116-V175 HydrophobicContact CE2-CG1 4.41Å; S119-V175 WeakPolarHBondContact O-CG2 3.35Å; V120-V175 HydrophobicContact CG2-CG1 4.39Å; L123-V175 HydrophobicContact CB-CG2 4.07Å; L123-V175 HydrophobicContact CD2-CG2 4.19Å; C171-V175 WeakPolarHBondContact O-CG2 3.41Å; C171-V175 PolarHBondContact O-N 3.4Å; V172-V175 PolarHBondContact O-N 3.03Å; V175-T178 PolarHBondContact O-OG1 3.44Å; V175-L179 VanDerWaalsContact O-CB 3.23Å; V175-L179 WeakPolarHBondContact O-CB 3.09Å; V175-L179 PolarHBondContact O-N 3.09Å; V175-L214 HydrophobicContact CG1-CD1 4.16Å; V175-L214 HydrophobicContact CG1-CD2 3.53Å
176I87.7Confident85.1Confident17 Ų1749.7 Ų49.79%0.08725%0.248CC..Hα-helixtrans-64.2-49.3-179.5-68173.5000110.6V172 D173 T178 L179 E180 R326 A330V172-I176 HydrophobicContact CG1-CD1 3.59Å; V172-I176 HydrophobicContact CG1-CG1 4.25Å; V172-I176 WeakPolarHBondContact O-CG1 3.5Å; V172-I176 PolarHBondContact O-N 3.39Å; D173-I176 PolarHBondContact O-N 2.76Å; I176-T178 PolarHBondContact O-N 3.24Å; I176-L179 WeakPolarHBondContact O-CB 3.41Å; I176-L179 PolarHBondContact O-N 3.36Å; I176-E180 HydrophobicContact CG2-CG 4.31Å; I176-E180 WeakPolarHBondContact O-CG 3.26Å; I176-E180 PolarHBondContact O-N 2.91Å; I176-R326 HydrophobicContact CD1-CB 3.93Å; I176-A330 HydrophobicContact CD1-CB 4.47Å; I176-A330 HydrophobicContact CG1-CB 3.93Å; I176-A330 HydrophobicContact CG2-CB 4.32Å
177T88Confident85.4Confident79 Ų7947.4 Ų47.449%0.48525%0.248SC..Hα-helixtrans-59-45.3-179.647.20000112.5D173 T174 E180 E181D173-T177 WeakPolarHBondContact O-CB 3.41Å; D173-T177 VanDerWaalsContact O-CG2 3.31Å; D173-T177 WeakPolarHBondContact O-CG2 3.09Å; D173-T177 PolarHBondContact O-N 2.69Å; D173-T177 PolarHBondContact O-OG1 3.28Å; T174-T177 WeakPolarHBondContact CA-OG1 3.39Å; T174-T177 PolarHBondContact O-OG1 3.43Å; T177-E180 PolarHBondContact O-N 3.45Å; T177-E181 WeakPolarHBondContact O-CB 3.47Å; T177-E181 PolarHBondContact O-N 2.81Å
178T89.1Confident85.4Confident7 Ų748.7 Ų48.74%0.04325%0.249CC..Hα-helixtrans-71.2-30.6178.653.40000113.4S115 S119 T174 V175 I176 S182S115-T178 WeakPolarHBondContact OG-CG2 3.45Å; S119-T178 PolarHBondContact OG-OG1 3.42Å; T174-T178 WeakPolarHBondContact O-CG2 3.15Å; T174-T178 PolarHBondContact O-N 2.91Å; T174-T178 PolarHBondContact O-OG1 3.47Å; V175-T178 PolarHBondContact O-OG1 3.44Å; I176-T178 PolarHBondContact O-N 3.24Å; T178-S182 WeakPolarHBondContact O-CB 3.16Å; T178-S182 PolarHBondContact O-N 3.24Å; T178-S182 VanDerWaalsContact O-N 3.15Å; T178-S182 PolarHBondContact O-OG 3.04Å
179L89.4Confident84.5Confident3 Ų358 Ų582%0.01629%0.292CS..Hα-helixtrans-66.5-49.6171.8176.860.3000111.3F116 V175 I176 S182 E183 F207 A330 L331F116-L179 HydrophobicContact CD2-CB 3.97Å; F116-L179 HydrophobicContact CD2-CD1 4.49Å; F116-L179 HydrophobicContact CE1-CD1 4.37Å; F116-L179 HydrophobicContact CE2-CB 3.72Å; F116-L179 HydrophobicContact CE2-CD1 3.85Å; F116-L179 HydrophobicContact CE2-CG 4.26Å; F116-L179 HydrophobicContact CZ-CD1 3.79Å; V175-L179 VanDerWaalsContact O-CB 3.23Å; V175-L179 WeakPolarHBondContact O-CB 3.09Å; V175-L179 PolarHBondContact O-N 3.09Å; I176-L179 WeakPolarHBondContact O-CB 3.41Å; I176-L179 PolarHBondContact O-N 3.36Å; L179-S182 PolarHBondContact O-N 3.06Å; L179-E183 HydrophobicContact CD1-CG 4.16Å; L179-E183 WeakPolarHBondContact O-CG 3.47Å; L179-E183 PolarHBondContact O-N 2.91Å; L179-F207 HydrophobicContact CD1-CE2 3.89Å; L179-F207 HydrophobicContact CD1-CZ 3.79Å; L179-A330 HydrophobicContact CD2-CB 4.01Å; L179-L331 HydrophobicContact CD2-CD2 4.37Å
180E87.9Confident83.9Confident116 Ų11656.4 Ų56.454%0.54229%0.288SS..Hα-helixtrans-61.7-43.6179.5-73.6176.4170.600112I176 T177 S182 E183 H184I176-E180 HydrophobicContact CG2-CG 4.31Å; I176-E180 WeakPolarHBondContact O-CG 3.26Å; I176-E180 PolarHBondContact O-N 2.91Å; T177-E180 PolarHBondContact O-N 3.45Å; E180-S182 VanDerWaalsContact C-N 3.34Å; E180-S182 PolarHBondContact O-N 3.2Å; E180-E183 PolarHBondContact O-N 2.85Å; E180-H184 VanDerWaalsContact O-CB 3.27Å; E180-H184 WeakPolarHBondContact O-CB 3.41Å; E180-H184 PolarHBondContact O-N 3.23Å
181E87.7Confident83Confident104 Ų10460.6 Ų60.649%0.48630%0.301SS..Hα-helixtrans-59-46.2174.9-176.4-179.5-168.100111.4A112 T177 H184 L185A112-E181 HydrophobicContact CB-CG 4.23Å; T177-E181 WeakPolarHBondContact O-CB 3.47Å; T177-E181 PolarHBondContact O-N 2.81Å; E181-H184 PolarHBondContact O-N 3.28Å; E181-L185 WeakPolarHBondContact O-CG 3.36Å; E181-L185 PolarHBondContact O-N 2.97Å
182S86.6Confident82.1Confident0 Ų062.2 Ų62.20%031%0.307CS..Hα-helixtrans-63.4-47.1177.9-61.50000111.7A112 T178 L179 E180 H184 L185 F186A112-S182 PolarHBondContact O-OG 3.21Å; T178-S182 WeakPolarHBondContact O-CB 3.16Å; T178-S182 PolarHBondContact O-N 3.24Å; T178-S182 VanDerWaalsContact O-N 3.15Å; T178-S182 PolarHBondContact O-OG 3.04Å; L179-S182 PolarHBondContact O-N 3.06Å; E180-S182 VanDerWaalsContact C-N 3.34Å; E180-S182 PolarHBondContact O-N 3.2Å; S182-H184 PolarHBondContact O-N 2.83Å; S182-L185 PolarHBondContact O-N 3.39Å; S182-F186 WeakPolarHBondContact O-CD2 3.33Å; S182-F186 PolarHBondContact O-N 3.14Å
183E87.7Confident81.1Confident40 Ų4064.1 Ų64.119%0.18732%0.32CS..Hα-helixtrans-62.6-41.3177.4-72.6-161.5164.900111.8L179 E180 L185 F186 A187 F207 K211 K332L179-E183 HydrophobicContact CD1-CG 4.16Å; L179-E183 WeakPolarHBondContact O-CG 3.47Å; L179-E183 PolarHBondContact O-N 2.91Å; E180-E183 PolarHBondContact O-N 2.85Å; E183-L185 PolarHBondContact O-N 3.27Å; E183-F186 PolarHBondContact O-N 3.48Å; E183-A187 WeakPolarHBondContact O-CB 3.49Å; E183-A187 PolarHBondContact O-N 2.98Å; E183-F207 HydrophobicContact CG-CE1 4.4Å; E183-F207 HydrophobicContact CG-CZ 3.68Å; E183-K211 IonicContact OE1-NZ 3.87Å; E183-K211 PolarHBondContact OE1-NZ 3.24Å; E183-K332 IonicContact OE1-NZ 3.77Å; E183-K332 WeakPolarHBondContact OE2-CE 3.38Å; E183-K332 IonicContact OE2-NZ 3.15Å; E183-K332 PolarHBondContact OE2-NZ 3.44Å
184H86.2Confident80.2Confident116 Ų11670.3 Ų70.354%0.53734%0.344SS..Hα-helixtrans-62.7-41177.2176-97.8000112.2E180 E181 S182 A187 K188E180-H184 VanDerWaalsContact O-CB 3.27Å; E180-H184 WeakPolarHBondContact O-CB 3.41Å; E180-H184 PolarHBondContact O-N 3.23Å; E181-H184 PolarHBondContact O-N 3.28Å; S182-H184 PolarHBondContact O-N 2.83Å; H184-A187 PolarHBondContact O-N 3Å; H184-K188 PolarHBondContact O-N 3.09Å
185L82.5Confident79.3Confident10 Ų1072.5 Ų72.55%0.05236%0.355CS..Hα-helixtrans-66.9-41.9175.1-70.6173.8000111.7Y105 E108 L109 A112 E181 S182 E183 A187 K188Y105-L185 WeakPolarHBondContact CE2-O 3.48Å; Y105-L185 VanDerWaalsContact CZ-O 3.31Å; Y105-L185 PolarHBondContact OH-O 2.99Å; E108-L185 HydrophobicContact CB-CD1 4.27Å; E108-L185 HydrophobicContact CB-CD2 4.37Å; L109-L185 HydrophobicContact CD1-CB 3.84Å; A112-L185 HydrophobicContact CB-CD1 3.58Å; E181-L185 WeakPolarHBondContact O-CG 3.36Å; E181-L185 PolarHBondContact O-N 2.97Å; S182-L185 PolarHBondContact O-N 3.39Å; E183-L185 PolarHBondContact O-N 3.27Å; L185-A187 PolarHBondContact O-N 3.37Å; L185-K188 HydrophobicContact CD2-CD 4.26Å; L185-K188 PolarHBondContact O-N 2.72Å
186F81.9Confident78.3Confident41 Ų4172.9 Ų72.918%0.1836%0.357CS..Hα-helixtrans-62-30.2173.5-83.9-66.4000113.2L109 I113 S182 E183 K188 F200 F203 Q204 F207L109-F186 HydrophobicContact CD1-CD1 4.09Å; L109-F186 HydrophobicContact CD1-CD2 3.89Å; L109-F186 HydrophobicContact CD1-CE1 4.04Å; L109-F186 HydrophobicContact CD1-CE2 3.81Å; L109-F186 HydrophobicContact CD1-CG 4.02Å; L109-F186 HydrophobicContact CD1-CZ 3.9Å; L109-F186 HydrophobicContact CD2-CD1 4.24Å; L109-F186 HydrophobicContact CD2-CE1 3.94Å; L109-F186 HydrophobicContact CD2-CZ 4.38Å; L109-F186 HydrophobicContact CG-CE1 4.44Å; L109-F186 HydrophobicContact CG-CZ 4.43Å; I113-F186 HydrophobicContact CD1-CE2 3.81Å; I113-F186 HydrophobicContact CD1-CZ 3.59Å; I113-F186 HydrophobicContact CG1-CE2 4.04Å; I113-F186 HydrophobicContact CG1-CZ 4.32Å; S182-F186 WeakPolarHBondContact O-CD2 3.33Å; S182-F186 PolarHBondContact O-N 3.14Å; E183-F186 PolarHBondContact O-N 3.48Å; F186-K188 PolarHBondContact O-N 3.06Å; F186-F200 HydrophobicContact CD1-CE1 4.41Å; F186-F200 HydrophobicContact CD1-CE2 4.12Å; F186-F200 AromaticContact CD1-CZ 3.72Å; F186-F200 HydrophobicContact CD1-CZ 3.72Å; F186-F200 HydrophobicContact CE1-CE2 4.28Å; F186-F200 HydrophobicContact CE1-CZ 4.09Å; F186-F203 HydrophobicContact CE1-CB 4.29Å; F186-F203 HydrophobicContact CZ-CB 4.09Å; F186-Q204 HydrophobicContact CE1-CB 4.33Å; F186-F207 HydrophobicContact CD2-CD1 4.12Å; F186-F207 HydrophobicContact CD2-CD2 4.48Å; F186-F207 HydrophobicContact CD2-CE1 4.37Å; F186-F207 HydrophobicContact CD2-CG 4.18Å; F186-F207 HydrophobicContact CE2-CB 3.64Å; F186-F207 AromaticContact CE2-CD1 3.78Å; F186-F207 HydrophobicContact CE2-CD1 3.78Å; F186-F207 AromaticContact CE2-CD2 3.94Å; F186-F207 HydrophobicContact CE2-CD2 3.94Å; F186-F207 HydrophobicContact CE2-CE1 4.44Å; F186-F207 AromaticContact CE2-CG 3.49Å; F186-F207 HydrophobicContact CE2-CG 3.49Å; F186-F207 VanDerWaalsContact CE2-CG 3.49Å; F186-F207 HydrophobicContact CZ-CB 3.92Å; F186-F207 HydrophobicContact CZ-CD1 4.49Å; F186-F207 HydrophobicContact CZ-CG 4.23Å
187A81.3Confident77.6Confident67 Ų6775 Ų7555%0.55437%0.37SS*.Hα-helixtrans-72.8-20.5179.100000114.3E183 H184 L185 H189E183-A187 WeakPolarHBondContact O-CB 3.49Å; E183-A187 PolarHBondContact O-N 2.98Å; H184-A187 PolarHBondContact O-N 3Å; L185-A187 PolarHBondContact O-N 3.37Å; A187-H189 PolarHBondContact O-N 3.03Å
188K77.1Confident77Confident85 Ų8576.1 Ų76.137%0.3737%0.373SS..SBendtrans-66.2101.4176.8-68.6179.8-177.8174.20110.3Y105 E108 H184 L185 F186 K190Y105-K188 HydrophobicContact CD2-CB 4.49Å; Y105-K188 HydrophobicContact CD2-CD 4.25Å; Y105-K188 HydrophobicContact CE2-CB 3.82Å; Y105-K188 HydrophobicContact CE2-CD 4.11Å; E108-K188 IonicContact OE2-NZ 2.67Å; H184-K188 PolarHBondContact O-N 3.09Å; L185-K188 HydrophobicContact CD2-CD 4.26Å; L185-K188 PolarHBondContact O-N 2.72Å; F186-K188 PolarHBondContact O-N 3.06Å; K188-K190 PolarHBondContact O-N 3.35Å
189H63.4Low76.2Confident199 Ų19975.8 Ų75.892%0.92137%0.371SS*.  trans-64.2106.4176.9-82.3-72.9000111.9A187A187-H189 PolarHBondContact O-N 3.03Å
190K67.2Low75.8Confident67 Ų6777.6 Ų77.629%0.29138%0.378SS..  trans-119138.8168.9-70.2-168179-154.30111D101 N102 Y105 K188 F192D101-K190 VanDerWaalsContact C-NZ 3.33Å; D101-K190 PolarHBondContact O-NZ 3.06Å; N102-K190 WeakPolarHBondContact OD1-CD 3.34Å; Y105-K190 HydrophobicContact CD1-CD 4.03Å; Y105-K190 HydrophobicContact CD2-CD 4.2Å; Y105-K190 HydrophobicContact CG-CD 3.74Å; K188-K190 PolarHBondContact O-N 3.35Å; K190-F192 HydrophobicContact CB-CE1 3.9Å; K190-F192 HydrophobicContact CB-CE2 4.06Å; K190-F192 HydrophobicContact CB-CZ 3.54Å; K190-F192 WeakPolarHBondContact O-CD2 3.41Å; K190-F192 WeakPolarHBondContact O-CE2 3.5Å; K190-F192 PolarHBondContact O-N 3.3Å
191K63.3Low75.4Confident203 Ų20376.4 Ų76.488%0.88337%0.373SS*.  trans-80.9109.7174.5-73.5-179.2-179.9174.10108.9
192F67Low74.9Confident49 Ų4972.3 Ų72.322%0.21536%0.356CS..  trans-93.2146.6179.3-61.3-65.8000112.4Y105 L106 K190 V196 V197 F200Y105-F192 AromaticContact CD1-CE1 3.94Å; Y105-F192 HydrophobicContact CD1-CE1 3.94Å; Y105-F192 AromaticContact CD1-CZ 3.67Å; Y105-F192 HydrophobicContact CD1-CZ 3.67Å; Y105-F192 HydrophobicContact CE1-CE1 4.12Å; Y105-F192 HydrophobicContact CE1-CE2 4.34Å; Y105-F192 AromaticContact CE1-CZ 3.4Å; Y105-F192 HydrophobicContact CE1-CZ 3.4Å; L106-F192 HydrophobicContact CD2-CE1 4.25Å; K190-F192 HydrophobicContact CB-CE1 3.9Å; K190-F192 HydrophobicContact CB-CE2 4.06Å; K190-F192 HydrophobicContact CB-CZ 3.54Å; K190-F192 WeakPolarHBondContact O-CD2 3.41Å; K190-F192 WeakPolarHBondContact O-CE2 3.5Å; K190-F192 PolarHBondContact O-N 3.3Å; F192-V196 HydrophobicContact CB-CB 4.08Å; F192-V196 HydrophobicContact CB-CG1 3.98Å; F192-V196 HydrophobicContact CD1-CB 4.36Å; F192-V196 HydrophobicContact CD1-CG1 3.49Å; F192-V196 VanDerWaalsContact CD1-CG1 3.49Å; F192-V196 HydrophobicContact CE1-CG1 4.25Å; F192-V196 HydrophobicContact CG-CG1 3.87Å; F192-V197 HydrophobicContact CB-CG2 4.39Å; F192-F200 AromaticContact CE2-CD2 3.9Å; F192-F200 HydrophobicContact CE2-CD2 3.9Å; F192-F200 AromaticContact CE2-CE2 3.98Å; F192-F200 HydrophobicContact CE2-CE2 3.98Å; F192-F200 HydrophobicContact CE2-CG 4.41Å; F192-F200 HydrophobicContact CZ-CD2 4.27Å; F192-F200 HydrophobicContact CZ-CE2 4.37Å
193S66Low74.8Confident41 Ų4172.3 Ų72.329%0.28736%0.356SS..  trans-69.6153.6165.258.60000110.4K16 D195 V196 V197K16-S193 PolarHBondContact NZ-OG 3.03Å; S193-D195 PolarHBondContact O-N 3.15Å; S193-V196 WeakPolarHBondContact O-CB 3.43Å; S193-V196 PolarHBondContact O-N 3.49Å; S193-V197 PolarHBondContact O-N 2.92Å
194K67.2Low74.5Confident182 Ų18275.3 Ų75.379%0.79137%0.37SS*.Hα-helixtrans-48.4-37-176.6-167177.4-179.6-179.20113.9V196 V197K194-V196 VanDerWaalsContact C-N 3.33Å; K194-V196 PolarHBondContact O-N 3.42Å; K194-V197 WeakPolarHBondContact O-CB 3.35Å; K194-V197 PolarHBondContact O-N 3.45Å
195D67.2Low74.3Confident96 Ų9676.4 Ų76.451%0.51338%0.375SS..Hα-helixtrans-68.8-31.1-177.8-28.3-44.4000112.8S193S193-D195 PolarHBondContact O-N 3.15Å
196V70.1Confident74.3Confident8 Ų877.7 Ų77.75%0.04838%0.383CS..Hα-helixtrans-81.8-24.5179.9175.30000111.2V20 L106 F192 S193 K194 L198 V199 F200V20-V196 HydrophobicContact CG2-CG2 3.86Å; L106-V196 HydrophobicContact CD1-CG1 3.59Å; L106-V196 HydrophobicContact CD2-CG1 3.91Å; L106-V196 HydrophobicContact CG-CG1 4.32Å; F192-V196 HydrophobicContact CB-CB 4.08Å; F192-V196 HydrophobicContact CB-CG1 3.98Å; F192-V196 HydrophobicContact CD1-CB 4.36Å; F192-V196 HydrophobicContact CD1-CG1 3.49Å; F192-V196 VanDerWaalsContact CD1-CG1 3.49Å; F192-V196 HydrophobicContact CE1-CG1 4.25Å; F192-V196 HydrophobicContact CG-CG1 3.87Å; S193-V196 WeakPolarHBondContact O-CB 3.43Å; S193-V196 PolarHBondContact O-N 3.49Å; K194-V196 VanDerWaalsContact C-N 3.33Å; K194-V196 PolarHBondContact O-N 3.42Å; V196-L198 PolarHBondContact O-N 3.35Å; V196-V199 WeakPolarHBondContact O-CB 3.47Å; V196-V199 PolarHBondContact O-N 3.24Å; V196-V199 VanDerWaalsContact O-N 3.11Å; V196-F200 PolarHBondContact O-N 3.1Å
197V73.6Confident74.5Confident61 Ų6176.6 Ų76.637%0.3738%0.379SS..Hα-helixtrans-57.3-38.3179.2177.70000111.7F192 S193 K194 V199 F200 Q201F192-V197 HydrophobicContact CB-CG2 4.39Å; S193-V197 PolarHBondContact O-N 2.92Å; K194-V197 WeakPolarHBondContact O-CB 3.35Å; K194-V197 PolarHBondContact O-N 3.45Å; V197-V199 PolarHBondContact O-N 3.17Å; V197-F200 PolarHBondContact O-N 3.08Å; V197-Q201 HydrophobicContact CG1-CG 4.46Å; V197-Q201 VanDerWaalsContact O-CG 3.3Å; V197-Q201 WeakPolarHBondContact O-CG 3.3Å; V197-Q201 PolarHBondContact O-N 3.01Å
198L73.4Confident74.7Confident103 Ų10376.4 Ų76.454%0.53937%0.371SS..Hα-helixtrans-64.1-39.2178.4-71.3173000112.7V196 Q201 S202V196-L198 PolarHBondContact O-N 3.35Å; L198-Q201 PolarHBondContact O-N 3.45Å; L198-S202 PolarHBondContact O-N 2.93Å
199V74.1Confident75.1Confident0 Ų077.5 Ų77.50%038%0.377CS..Hα-helixtrans-68-43.3176.5169.90000110.9V20 L23 Q24 V196 V197 Q201 S202 F203V20-V199 HydrophobicContact CG1-CG2 4.28Å; L23-V199 HydrophobicContact CB-CB 4.34Å; L23-V199 HydrophobicContact CB-CG1 3.5Å; L23-V199 HydrophobicContact CB-CG2 3.83Å; L23-V199 HydrophobicContact CD1-CG1 3.62Å; L23-V199 HydrophobicContact CG-CG1 4.06Å; Q24-V199 HydrophobicContact CG-CG2 3.59Å; V196-V199 WeakPolarHBondContact O-CB 3.47Å; V196-V199 PolarHBondContact O-N 3.24Å; V196-V199 VanDerWaalsContact O-N 3.11Å; V197-V199 PolarHBondContact O-N 3.17Å; V199-Q201 VanDerWaalsContact C-N 3.26Å; V199-Q201 PolarHBondContact O-N 3.32Å; V199-S202 PolarHBondContact O-N 2.91Å; V199-S202 PolarHBondContact O-OG 3.02Å; V199-F203 HydrophobicContact CG1-CD2 4.15Å; V199-F203 HydrophobicContact CG1-CE1 4.45Å; V199-F203 HydrophobicContact CG1-CE2 3.69Å; V199-F203 HydrophobicContact CG1-CZ 3.86Å; V199-F203 PolarHBondContact O-N 3.35Å
200F79.6Confident76.2Confident41 Ų4168.1 Ų68.118%0.1833%0.334CS..Hα-helixtrans-62.8-37.2177.8-166.9-94.7000111.5Y105 L109 F186 F192 V196 V197 F203 Q204Y105-F200 HydrophobicContact CE1-CE2 4.17Å; L109-F200 HydrophobicContact CD2-CD2 3.94Å; L109-F200 HydrophobicContact CD2-CE2 3.68Å; F186-F200 HydrophobicContact CD1-CE1 4.41Å; F186-F200 HydrophobicContact CD1-CE2 4.12Å; F186-F200 AromaticContact CD1-CZ 3.72Å; F186-F200 HydrophobicContact CD1-CZ 3.72Å; F186-F200 HydrophobicContact CE1-CE2 4.28Å; F186-F200 HydrophobicContact CE1-CZ 4.09Å; F192-F200 AromaticContact CE2-CD2 3.9Å; F192-F200 HydrophobicContact CE2-CD2 3.9Å; F192-F200 AromaticContact CE2-CE2 3.98Å; F192-F200 HydrophobicContact CE2-CE2 3.98Å; F192-F200 HydrophobicContact CE2-CG 4.41Å; F192-F200 HydrophobicContact CZ-CD2 4.27Å; F192-F200 HydrophobicContact CZ-CE2 4.37Å; V196-F200 PolarHBondContact O-N 3.1Å; V197-F200 PolarHBondContact O-N 3.08Å; F200-F203 PolarHBondContact O-N 3.49Å; F200-Q204 PolarHBondContact O-N 3.38Å
201Q79.2Confident77.2Confident92 Ų9267 Ų6743%0.4333%0.329SS..Hα-helixtrans-62.7-40.5173.1-75.3174.2-9.800112.7V197 L198 V199 Q204 Q205V197-Q201 HydrophobicContact CG1-CG 4.46Å; V197-Q201 VanDerWaalsContact O-CG 3.3Å; V197-Q201 WeakPolarHBondContact O-CG 3.3Å; V197-Q201 PolarHBondContact O-N 3.01Å; L198-Q201 PolarHBondContact O-N 3.45Å; V199-Q201 VanDerWaalsContact C-N 3.26Å; V199-Q201 PolarHBondContact O-N 3.32Å; Q201-Q204 PolarHBondContact O-N 3.18Å; Q201-Q205 WeakPolarHBondContact O-CG 3.42Å; Q201-Q205 PolarHBondContact O-N 3.39Å
202S78.1Confident78.3Confident18 Ų1861.4 Ų61.413%0.12631%0.309CS..Hα-helixtrans-67.6-38.3176.254.70000112.6H27 L198 V199 Q204 Q205 T206H27-S202 PolarHBondContact CD2-OG 3.22Å; L198-S202 PolarHBondContact O-N 2.93Å; V199-S202 PolarHBondContact O-N 2.91Å; V199-S202 PolarHBondContact O-OG 3.02Å; S202-Q204 VanDerWaalsContact C-N 3.35Å; S202-Q204 PolarHBondContact O-N 3.38Å; S202-Q205 PolarHBondContact O-N 3.25Å; S202-T206 PolarHBondContact O-N 2.94Å; S202-T206 VanDerWaalsContact O-N 3.07Å; S202-T206 PolarHBondContact O-OG1 3.34Å
203F83.6Confident79.2Confident0 Ų063 Ų630%031%0.313CS..Hα-helixtrans-58.7-47.1172-70.3-30.8000111.8L23 H27 L106 L109 H110 I113 F186 V199 F200 Q205 T206 F207L23-F203 HydrophobicContact CD1-CZ 4.1Å; L23-F203 HydrophobicContact CD2-CE1 3.94Å; L23-F203 HydrophobicContact CD2-CZ 3.48Å; L23-F203 VanDerWaalsContact CD2-CZ 3.48Å; L23-F203 HydrophobicContact CG-CZ 4.33Å; H27-F203 AromaticContact CD2-CE1 3.98Å; H27-F203 AromaticContact CE1-CD1 3.52Å; H27-F203 AromaticContact CE1-CE1 3.86Å; H27-F203 AromaticContact NE2-CD1 3Å; H27-F203 WeakPolarHBondContact NE2-CD1 3.35Å; H27-F203 AromaticContact NE2-CE1 2.99Å; H27-F203 WeakPolarHBondContact NE2-CE1 3.29Å; L106-F203 HydrophobicContact CB-CE2 4.37Å; L106-F203 HydrophobicContact CD2-CE2 3.97Å; L109-F203 HydrophobicContact CD2-CB 4.39Å; L109-F203 HydrophobicContact CD2-CD2 3.58Å; L109-F203 HydrophobicContact CD2-CE2 4.13Å; L109-F203 HydrophobicContact CD2-CG 4.31Å; L109-F203 HydrophobicContact CG-CD2 4.03Å; L109-F203 HydrophobicContact CG-CE2 4.4Å; L109-F203 HydrophobicContact CG-CG 4.5Å; H110-F203 HydrophobicContact CB-CE1 3.75Å; H110-F203 HydrophobicContact CB-CZ 3.73Å; H110-F203 AromaticContact CG-CE1 4Å; H110-F203 AromaticContact ND1-CE1 3.57Å; I113-F203 HydrophobicContact CD1-CB 3.62Å; I113-F203 HydrophobicContact CD1-CD1 4.12Å; I113-F203 HydrophobicContact CD1-CG 4.01Å; F186-F203 HydrophobicContact CE1-CB 4.29Å; F186-F203 HydrophobicContact CZ-CB 4.09Å; V199-F203 HydrophobicContact CG1-CD2 4.15Å; V199-F203 HydrophobicContact CG1-CE1 4.45Å; V199-F203 HydrophobicContact CG1-CE2 3.69Å; V199-F203 HydrophobicContact CG1-CZ 3.86Å; V199-F203 PolarHBondContact O-N 3.35Å; F200-F203 PolarHBondContact O-N 3.49Å; F203-Q205 VanDerWaalsContact C-N 3.27Å; F203-Q205 PolarHBondContact O-N 3.42Å; F203-T206 PolarHBondContact O-N 3.16Å; F203-F207 WeakPolarHBondContact O-CB 3.27Å; F203-F207 PolarHBondContact O-N 2.87Å
204Q83Confident80.2Confident102 Ų10261.1 Ų61.148%0.47730%0.3SS..Hα-helixtrans-61.7-37179.1-168.5175.22.400111.7F186 F200 Q201 S202 T208F186-Q204 HydrophobicContact CE1-CB 4.33Å; F200-Q204 PolarHBondContact O-N 3.38Å; Q201-Q204 PolarHBondContact O-N 3.18Å; S202-Q204 VanDerWaalsContact C-N 3.35Å; S202-Q204 PolarHBondContact O-N 3.38Å; Q204-T208 VanDerWaalsContact O-CB 3.29Å; Q204-T208 WeakPolarHBondContact O-CB 3.39Å; Q204-T208 PolarHBondContact O-N 3.19Å; Q204-T208 PolarHBondContact O-OG1 3.47Å
205Q82.3Confident81.1Confident139 Ų13953.5 Ų53.565%0.6527%0.268SS*.Hα-helixtrans-65.7-47.8176.2-74.3174.31.600112.8Q201 S202 F203 T208 H209Q201-Q205 WeakPolarHBondContact O-CG 3.42Å; Q201-Q205 PolarHBondContact O-N 3.39Å; S202-Q205 PolarHBondContact O-N 3.25Å; F203-Q205 VanDerWaalsContact C-N 3.27Å; F203-Q205 PolarHBondContact O-N 3.42Å; Q205-T208 PolarHBondContact O-N 3.38Å; Q205-H209 WeakPolarHBondContact O-CB 3.21Å; Q205-H209 PolarHBondContact O-N 3.2Å
206T81.5Confident81.8Confident37 Ų3754.8 Ų54.823%0.22727%0.272CS..Hα-helixtrans-62.6-45.8177.7-59.10000111.2I113 S202 F203 T208 H209 S210I113-T206 HydrophobicContact CG2-CG2 3.79Å; S202-T206 PolarHBondContact O-N 2.94Å; S202-T206 VanDerWaalsContact O-N 3.07Å; S202-T206 PolarHBondContact O-OG1 3.34Å; F203-T206 PolarHBondContact O-N 3.16Å; T206-T208 VanDerWaalsContact C-N 3.34Å; T206-T208 PolarHBondContact O-N 2.99Å; T206-H209 WeakPolarHBondContact O-CB 3.48Å; T206-H209 PolarHBondContact O-N 3.42Å; T206-S210 PolarHBondContact O-N 3.06Å; T206-S210 PolarHBondContact O-OG 3.38Å
207F85.8Confident82.5Confident19 Ų1955.2 Ų55.28%0.08327%0.273CS..Hα-helixtrans-58.3-45.7176178.1-107.2000112I113 F116 L179 E183 F186 F203 H209 S210 K211I113-F207 HydrophobicContact CG1-CB 4.42Å; F116-F207 AromaticContact CD1-CD2 3.94Å; F116-F207 HydrophobicContact CD1-CD2 3.94Å; F116-F207 HydrophobicContact CD1-CE2 4.03Å; F116-F207 HydrophobicContact CE1-CD2 4.11Å; F116-F207 HydrophobicContact CE1-CE2 4.02Å; L179-F207 HydrophobicContact CD1-CE2 3.89Å; L179-F207 HydrophobicContact CD1-CZ 3.79Å; E183-F207 HydrophobicContact CG-CE1 4.4Å; E183-F207 HydrophobicContact CG-CZ 3.68Å; F186-F207 HydrophobicContact CD2-CD1 4.12Å; F186-F207 HydrophobicContact CD2-CD2 4.48Å; F186-F207 HydrophobicContact CD2-CE1 4.37Å; F186-F207 HydrophobicContact CD2-CG 4.18Å; F186-F207 HydrophobicContact CE2-CB 3.64Å; F186-F207 AromaticContact CE2-CD1 3.78Å; F186-F207 HydrophobicContact CE2-CD1 3.78Å; F186-F207 AromaticContact CE2-CD2 3.94Å; F186-F207 HydrophobicContact CE2-CD2 3.94Å; F186-F207 HydrophobicContact CE2-CE1 4.44Å; F186-F207 AromaticContact CE2-CG 3.49Å; F186-F207 HydrophobicContact CE2-CG 3.49Å; F186-F207 VanDerWaalsContact CE2-CG 3.49Å; F186-F207 HydrophobicContact CZ-CB 3.92Å; F186-F207 HydrophobicContact CZ-CD1 4.49Å; F186-F207 HydrophobicContact CZ-CG 4.23Å; F203-F207 WeakPolarHBondContact O-CB 3.27Å; F203-F207 PolarHBondContact O-N 2.87Å; F207-H209 VanDerWaalsContact C-N 3.34Å; F207-H209 PolarHBondContact O-N 3.26Å; F207-S210 PolarHBondContact O-N 2.83Å; F207-K211 HydrophobicContact CE1-CD 4.43Å; F207-K211 WeakPolarHBondContact O-CB 3.42Å; F207-K211 PolarHBondContact O-N 2.72Å
208T85.8Confident83Confident62 Ų6252.3 Ų52.338%0.3826%0.255SS..Hα-helixtrans-62.3-40.4176.5-56.40000111.7Q204 Q205 T206 K211 N212Q204-T208 VanDerWaalsContact O-CB 3.29Å; Q204-T208 WeakPolarHBondContact O-CB 3.39Å; Q204-T208 PolarHBondContact O-N 3.19Å; Q204-T208 PolarHBondContact O-OG1 3.47Å; Q205-T208 PolarHBondContact O-N 3.38Å; T206-T208 VanDerWaalsContact C-N 3.34Å; T206-T208 PolarHBondContact O-N 2.99Å; T208-K211 PolarHBondContact O-N 2.9Å; T208-N212 WeakPolarHBondContact O-CB 3.42Å; T208-N212 PolarHBondContact O-N 3.49Å; T208-N212 PolarHBondContact O-ND2 3.36Å
209H85.9Confident83.4Confident108 Ų10849.5 Ų49.550%0.524%0.241SC..Hα-helixtrans-62.1-48.3177.4-179.175.4000112.2Q205 T206 F207 K211 N212 R213Q205-H209 WeakPolarHBondContact O-CB 3.21Å; Q205-H209 PolarHBondContact O-N 3.2Å; T206-H209 WeakPolarHBondContact O-CB 3.48Å; T206-H209 PolarHBondContact O-N 3.42Å; F207-H209 VanDerWaalsContact C-N 3.34Å; F207-H209 PolarHBondContact O-N 3.26Å; H209-K211 PolarHBondContact O-N 3.42Å; H209-N212 PolarHBondContact O-N 3.02Å; H209-R213 PolarHBondContact O-N 2.85Å; H209-R213 VanDerWaalsContact O-N 3.1Å
210S86.8Confident83.5Confident2 Ų254.6 Ų54.61%0.01427%0.268CS..Hα-helixtrans-64.3-39.3177.9-62.60000112.1T206 F207 R213 L214T206-S210 PolarHBondContact O-N 3.06Å; T206-S210 PolarHBondContact O-OG 3.38Å; F207-S210 PolarHBondContact O-N 2.83Å; S210-R213 PolarHBondContact O-N 3.29Å; S210-L214 PolarHBondContact O-N 3.13Å; S210-L214 VanDerWaalsContact O-N 3.11Å
211K87.6Confident83.5Confident44 Ų4453.2 Ų53.219%0.19126%0.263CS..Hα-helixtrans-61.7-45174.3-168.8168.5-176.8165.60111.7E183 F207 T208 H209 R213 L214 T215 L331E183-K211 IonicContact OE1-NZ 3.87Å; E183-K211 PolarHBondContact OE1-NZ 3.24Å; F207-K211 HydrophobicContact CE1-CD 4.43Å; F207-K211 WeakPolarHBondContact O-CB 3.42Å; F207-K211 PolarHBondContact O-N 2.72Å; T208-K211 PolarHBondContact O-N 2.9Å; H209-K211 PolarHBondContact O-N 3.42Å; K211-R213 VanDerWaalsContact C-N 3.33Å; K211-R213 PolarHBondContact O-N 2.98Å; K211-L214 WeakPolarHBondContact O-CB 3.41Å; K211-L214 PolarHBondContact O-N 3.41Å; K211-T215 PolarHBondContact O-N 3.47Å; K211-T215 PolarHBondContact O-OG1 2.88Å; K211-L331 HydrophobicContact CD-CD2 4.5Å; K211-L331 HydrophobicContact CG-CD2 3.82Å
212N86.4Confident83.7Confident86 Ų8650.4 Ų50.446%0.4625%0.248SC..Hα-helixtrans-61.5-38.4176.8-71.2-19.1000112.8T208 H209 T215 Q216T208-N212 WeakPolarHBondContact O-CB 3.42Å; T208-N212 PolarHBondContact O-N 3.49Å; T208-N212 PolarHBondContact O-ND2 3.36Å; H209-N212 PolarHBondContact O-N 3.02Å; N212-T215 PolarHBondContact O-N 3.4Å; N212-Q216 WeakPolarHBondContact O-CG 3.4Å; N212-Q216 PolarHBondContact O-N 2.8Å
213R85.5Confident83.6Confident82 Ų8257.8 Ų57.831%0.30927%0.273SS..Hα-helixtrans-65.1-39.7175.4-72.3-175.767.5-160.3-4.6112.1N121 H209 S210 K211 Q216 H217N121-R213 PolarHBondContact OD1-NH1 3.19Å; N121-R213 PolarHBondContact OD1-NH2 3.49Å; N121-R213 VanDerWaalsContact OD1-NH2 3.14Å; H209-R213 PolarHBondContact O-N 2.85Å; H209-R213 VanDerWaalsContact O-N 3.1Å; S210-R213 PolarHBondContact O-N 3.29Å; K211-R213 VanDerWaalsContact C-N 3.33Å; K211-R213 PolarHBondContact O-N 2.98Å; R213-Q216 PolarHBondContact O-N 2.88Å; R213-H217 PolarHBondContact O-N 3.12Å; R213-H217 VanDerWaalsContact O-N 3.15Å
214L88.4Confident83.1Confident1 Ų164 Ų641%0.00530%0.296CS..Hα-helixtrans-64.6-44.9174.9-176.759.6000111.2F116 V120 L123 V175 S210 K211 Q216 H217 V218 I327 L331F116-L214 HydrophobicContact CE2-CD2 4.29Å; F116-L214 HydrophobicContact CZ-CD2 4.35Å; V120-L214 HydrophobicContact CG1-CB 4.22Å; V120-L214 HydrophobicContact CG2-CB 4.24Å; V120-L214 HydrophobicContact CG2-CD2 4.28Å; L123-L214 HydrophobicContact CD2-CD1 3.7Å; V175-L214 HydrophobicContact CG1-CD1 4.16Å; V175-L214 HydrophobicContact CG1-CD2 3.53Å; S210-L214 PolarHBondContact O-N 3.13Å; S210-L214 VanDerWaalsContact O-N 3.11Å; K211-L214 WeakPolarHBondContact O-CB 3.41Å; K211-L214 PolarHBondContact O-N 3.41Å; L214-Q216 PolarHBondContact O-N 3.01Å; L214-H217 WeakPolarHBondContact O-CB 3.28Å; L214-H217 PolarHBondContact O-N 3.19Å; L214-V218 WeakPolarHBondContact O-CG2 3.31Å; L214-V218 PolarHBondContact O-N 2.86Å; L214-I327 HydrophobicContact CD1-CG2 4.03Å; L214-I327 HydrophobicContact CD2-CG2 4.17Å; L214-I327 HydrophobicContact CG-CG2 4.1Å; L214-L331 HydrophobicContact CD2-CD1 4.5Å; L214-L331 HydrophobicContact CD2-CD2 3.89Å; L214-L331 HydrophobicContact CD2-CG 4.31Å; L214-L331 HydrophobicContact CG-CD1 4.2Å; L214-L331 HydrophobicContact CG-CD2 4.27Å
215T85.7Confident83Confident22 Ų2259.8 Ų59.814%0.13528%0.276CS..Hα-helixtrans-57.8-45.9174.5-63.90000112.1K211 N212 H217 V218 D219 E333K211-T215 PolarHBondContact O-N 3.47Å; K211-T215 PolarHBondContact O-OG1 2.88Å; N212-T215 PolarHBondContact O-N 3.4Å; T215-H217 VanDerWaalsContact C-N 3.29Å; T215-H217 PolarHBondContact O-N 3.1Å; T215-V218 WeakPolarHBondContact O-CB 3.3Å; T215-V218 PolarHBondContact O-N 3.46Å; T215-D219 PolarHBondContact O-N 3.32Å; T215-E333 WeakPolarHBondContact CG2-OE1 3.47Å; T215-E333 PolarHBondContact OG1-OE1 2.78Å
216Q82.7Confident82.9Confident124 Ų12454 Ų5458%0.57925%0.249SC*.Hα-helixtrans-59.4-39.7176.7-75.7174.2-9.900112.6N212 R213 L214 D219 D220N212-Q216 WeakPolarHBondContact O-CG 3.4Å; N212-Q216 PolarHBondContact O-N 2.8Å; R213-Q216 PolarHBondContact O-N 2.88Å; L214-Q216 PolarHBondContact O-N 3.01Å; Q216-D219 WeakPolarHBondContact O-CB 3.46Å; Q216-D219 PolarHBondContact O-N 3.45Å; Q216-D220 PolarHBondContact O-N 3.26Å; Q216-D220 VanDerWaalsContact O-N 3.1Å
217H83.1Confident82.6Confident16 Ų1654.7 Ų54.77%0.07425%0.252CS..Hα-helixtrans-65.5-42.4177.3-173.847000112.5L124 C127 R213 L214 T215 D219 D220 L221L124-H217 HydrophobicContact CD2-CB 3.71Å; C127-H217 WeakPolarHBondContact CB-CE1 3.3Å; C127-H217 WeakPolarHBondContact CB-NE2 3.42Å; C127-H217 PolarHBondContact SG-NE2 3.35Å; C127-H217 VanDerWaalsContact SG-NE2 3.38Å; R213-H217 PolarHBondContact O-N 3.12Å; R213-H217 VanDerWaalsContact O-N 3.15Å; L214-H217 WeakPolarHBondContact O-CB 3.28Å; L214-H217 PolarHBondContact O-N 3.19Å; T215-H217 VanDerWaalsContact C-N 3.29Å; T215-H217 PolarHBondContact O-N 3.1Å; H217-D219 VanDerWaalsContact C-N 3.34Å; H217-D220 PolarHBondContact O-N 2.92Å; H217-L221 PolarHBondContact O-N 3Å; H217-L221 VanDerWaalsContact O-N 3.1Å
218V85.7Confident82.2Confident0 Ų055.7 Ų55.70%026%0.257CS..Hα-helixtrans-62.1-42175.2164.70000111.1L214 T215 D220 L221 W222 L324 I327 I328 L331L214-V218 WeakPolarHBondContact O-CG2 3.31Å; L214-V218 PolarHBondContact O-N 2.86Å; T215-V218 WeakPolarHBondContact O-CB 3.3Å; T215-V218 PolarHBondContact O-N 3.46Å; V218-D220 PolarHBondContact O-N 3.41Å; V218-L221 PolarHBondContact O-N 3.45Å; V218-W222 VanDerWaalsContact O-CB 3.26Å; V218-W222 WeakPolarHBondContact O-CB 3.09Å; V218-W222 PolarHBondContact O-N 3.27Å; V218-L324 HydrophobicContact CB-CD1 4.45Å; V218-L324 HydrophobicContact CG1-CD1 4.16Å; V218-L324 HydrophobicContact CG2-CD1 4.25Å; V218-I327 HydrophobicContact CG2-CB 4.25Å; V218-I327 HydrophobicContact CG2-CG2 3.53Å; V218-I328 HydrophobicContact CG1-CD1 3.89Å; V218-I328 HydrophobicContact CG1-CG1 3.25Å; V218-L331 HydrophobicContact CG2-CD1 4.05Å
219D81.6Confident81.6Confident45 Ų4556.8 Ų56.824%0.24126%0.258CS..Hα-helixtrans-56.5-47174-85.4-42.9000112.3T215 Q216 H217 W222 R223 R337T215-D219 PolarHBondContact O-N 3.32Å; Q216-D219 WeakPolarHBondContact O-CB 3.46Å; Q216-D219 PolarHBondContact O-N 3.45Å; H217-D219 VanDerWaalsContact C-N 3.34Å; D219-W222 PolarHBondContact O-N 2.94Å; D219-R223 WeakPolarHBondContact O-CB 3.33Å; D219-R223 WeakPolarHBondContact O-CG 3.45Å; D219-R223 PolarHBondContact O-N 3.3Å; D219-R337 VanDerWaalsContact CG-NH2 3.26Å; D219-R337 IonicContact OD1-CZ 2.9Å; D219-R337 IonicContact OD1-NH1 2.78Å; D219-R337 PolarHBondContact OD1-NH1 3.43Å; D219-R337 IonicContact OD1-NH2 3.67Å; D219-R337 PolarHBondContact OD1-NH2 3.34Å; D219-R337 IonicContact OD2-NH2 3.65Å
220D75.3Confident80.7Confident107 Ų10754.9 Ų54.957%0.57225%0.254SS*.Hα-helixtrans-64.4-43.5-179.9-75.4-14.3000111.9Q216 H217 V218 R224Q216-D220 PolarHBondContact O-N 3.26Å; Q216-D220 VanDerWaalsContact O-N 3.1Å; H217-D220 PolarHBondContact O-N 2.92Å; V218-D220 PolarHBondContact O-N 3.41Å; D220-R224 VanDerWaalsContact O-CB 3.32Å; D220-R224 WeakPolarHBondContact O-CB 3.46Å; D220-R224 PolarHBondContact O-N 3.27Å; D220-R224 VanDerWaalsContact O-N 3.14Å
221L80.5Confident79.3Confident12 Ų1258.9 Ų58.96%0.06328%0.28CS..Hα-helixtrans-66.6-43.3176.8-71.2-179.9000112Y168 H217 V218 R223 R224 W225 L324Y168-L221 HydrophobicContact CE2-CD1 4.48Å; H217-L221 PolarHBondContact O-N 3Å; H217-L221 VanDerWaalsContact O-N 3.1Å; V218-L221 PolarHBondContact O-N 3.45Å; L221-R223 PolarHBondContact O-N 3.31Å; L221-R224 PolarHBondContact O-N 2.79Å; L221-W225 HydrophobicContact CD1-CH2 4.45Å; L221-W225 HydrophobicContact CD2-CZ2 3.97Å; L221-W225 WeakPolarHBondContact O-CB 3.35Å; L221-W225 PolarHBondContact O-N 3.23Å; L221-L324 HydrophobicContact CB-CD1 4.05Å; L221-L324 HydrophobicContact CB-CD2 4.22Å; L221-L324 HydrophobicContact CD1-CD1 4.14Å
222W83.1Confident77Confident32 Ų3261.7 Ų61.712%0.12131%0.305CS..Hα-helixtrans-57.8-49.9178.1-177.5-92.7000111.5V218 D219 R224 W225 I226 L324 L325 I328 R337 I338 L341V218-W222 VanDerWaalsContact O-CB 3.26Å; V218-W222 WeakPolarHBondContact O-CB 3.09Å; V218-W222 PolarHBondContact O-N 3.27Å; D219-W222 PolarHBondContact O-N 2.94Å; W222-R224 VanDerWaalsContact C-N 3.27Å; W222-R224 PolarHBondContact O-N 2.69Å; W222-W225 PolarHBondContact O-N 2.87Å; W222-I226 HydrophobicContact CD2-CD1 3.96Å; W222-I226 HydrophobicContact CE3-CD1 3.74Å; W222-I226 HydrophobicContact CH2-CD1 3.58Å; W222-I226 HydrophobicContact CZ2-CD1 3.79Å; W222-I226 HydrophobicContact CZ3-CD1 3.55Å; W222-I226 PolarHBondContact O-N 2.79Å; W222-L324 HydrophobicContact CE3-CD2 4.24Å; W222-L325 HydrophobicContact CZ3-CD2 3.89Å; W222-I328 HydrophobicContact CE3-CD1 3.59Å; W222-I328 HydrophobicContact CZ3-CD1 3.84Å; W222-R337 HydrophobicContact CH2-CB 4.42Å; W222-R337 HydrophobicContact CZ2-CB 4.15Å; W222-I338 HydrophobicContact CH2-CG1 4.23Å; W222-L341 HydrophobicContact CH2-CD2 4.19Å; W222-L341 HydrophobicContact CZ2-CB 4.2Å; W222-L341 HydrophobicContact CZ2-CD2 3.97Å
223R76.4Confident74.4Confident174 Ų17463.1 Ų63.166%0.65731%0.307SS*.Hα-helixtrans-64-30.4178.1-72.1176.2179.3-173.61.6113.3D219 L221D219-R223 WeakPolarHBondContact O-CB 3.33Å; D219-R223 WeakPolarHBondContact O-CG 3.45Å; D219-R223 PolarHBondContact O-N 3.3Å; L221-R223 PolarHBondContact O-N 3.31Å
224R72.6Confident71.7Confident129 Ų12967.4 Ų67.449%0.48733%0.33SS..Hα-helixtrans-79.5-35.8180-172.1178.1-176.3161.710.7112.7D220 L221 W222D220-R224 VanDerWaalsContact O-CB 3.32Å; D220-R224 WeakPolarHBondContact O-CB 3.46Å; D220-R224 PolarHBondContact O-N 3.27Å; D220-R224 VanDerWaalsContact O-N 3.14Å; L221-R224 PolarHBondContact O-N 2.79Å; W222-R224 VanDerWaalsContact C-N 3.27Å; W222-R224 PolarHBondContact O-N 2.69Å
225W80.1Confident68.7Low15 Ų1575 Ų756%0.05737%0.366CS..Hα-helixtrans-92.2-33-173.7-66.8-7.8000113.3I163 Y168 L221 W222 I314 L315 A316 L320 V321 L324I163-W225 HydrophobicContact CD1-CZ2 4.06Å; Y168-W225 HydrophobicContact CE1-CH2 4.46Å; L221-W225 HydrophobicContact CD1-CH2 4.45Å; L221-W225 HydrophobicContact CD2-CZ2 3.97Å; L221-W225 WeakPolarHBondContact O-CB 3.35Å; L221-W225 PolarHBondContact O-N 3.23Å; W222-W225 PolarHBondContact O-N 2.87Å; W225-I314 CarbonylContact O-C 3.4Å; W225-I314 WeakPolarHBondContact O-CA 3.27Å; W225-L315 PolarHBondContact O-N 3.35Å; W225-A316 HydrophobicContact CB-CB 3.97Å; W225-A316 HydrophobicContact CD2-CB 3.58Å; W225-A316 HydrophobicContact CE3-CB 3.8Å; W225-A316 HydrophobicContact CG-CB 3.65Å; W225-A316 HydrophobicContact CZ3-CB 4.5Å; W225-L320 HydrophobicContact CH2-CB 3.79Å; W225-L320 HydrophobicContact CZ2-CB 4.5Å; W225-L320 HydrophobicContact CZ3-CB 3.93Å; W225-L320 WeakPolarHBondContact CZ3-O 3.32Å; W225-V321 HydrophobicContact CE3-CG2 4.43Å; W225-L324 HydrophobicContact CE3-CB 4.38Å; W225-L324 HydrophobicContact CE3-CD2 3.63Å; W225-L324 HydrophobicContact CZ3-CB 3.76Å; W225-L324 HydrophobicContact CZ3-CD2 3.82Å; W225-L324 HydrophobicContact CZ3-CG 4.34Å
226I80Confident65.8Low16 Ų1682.5 Ų82.58%0.08241%0.405CS..EExtended strand (participates in β ladder)trans-112.2104.9-178-57177.8000108W222 L312 L341 L464W222-I226 HydrophobicContact CD2-CD1 3.96Å; W222-I226 HydrophobicContact CE3-CD1 3.74Å; W222-I226 HydrophobicContact CH2-CD1 3.58Å; W222-I226 HydrophobicContact CZ2-CD1 3.79Å; W222-I226 HydrophobicContact CZ3-CD1 3.55Å; W222-I226 PolarHBondContact O-N 2.79Å; I226-L312 HydrophobicContact CG2-CD1 4.1Å; I226-L341 HydrophobicContact CD1-CD2 4.21Å; I226-L341 HydrophobicContact CG2-CD1 3.75Å; I226-L341 HydrophobicContact CG2-CD2 3.99Å; I226-L464 HydrophobicContact CD1-CD2 4.13Å
227I76Confident62.9Low53 Ų5381.5 Ų81.527%0.27241%0.408SS..EExtended strand (participates in β ladder)trans-115.8121.8-176.8-54.1-177.8000109.2E229 K313 L315I227-E229 HydrophobicContact CG2-CG 4.04Å; I227-K313 HydrophobicContact CB-CB 4.48Å; I227-K313 PolarHBondContact N-O 3.25Å; I227-K313 PolarHBondContact O-N 3.48Å; I227-L315 HydrophobicContact CD1-CD1 3.53Å; I227-L315 HydrophobicContact CD1-CG 4.46Å; I227-L315 HydrophobicContact CG1-CD1 4.39Å
228L77.4Confident60Low39 Ų3985 Ų8520%0.20443%0.434CS..EExtended strand (participates in β ladder)trans-106.6109.1170.2-174.870.4000109V230 S311 L312 Q344 Y348 I349L228-V230 HydrophobicContact CG-CG2 4.34Å; L228-S311 CarbonylContact C-O 3.5Å; L228-L312 HydrophobicContact CB-CD1 4.46Å; L228-L312 HydrophobicContact CD1-CB 4.01Å; L228-L312 HydrophobicContact CD1-CD1 4.22Å; L228-Q344 HydrophobicContact CD2-CB 3.78Å; L228-Y348 HydrophobicContact CD2-CD2 3.73Å; L228-Y348 HydrophobicContact CD2-CE2 4.4Å; L228-Y348 HydrophobicContact CD2-CG 4.45Å; L228-I349 HydrophobicContact CD1-CD1 4.18Å
229E73.4Confident57Low86 Ų8691.3 Ų91.340%0.40248%0.475SS..EExtended strand (participates in β ladder)trans-93.6119.5175.5-71.1172.9-172.700109.9I227 S311 K313I227-E229 HydrophobicContact CG2-CG 4.04Å; E229-S311 PolarHBondContact N-O 3.29Å; E229-S311 PolarHBondContact O-N 2.85Å; E229-S311 PolarHBondContact OE2-OG 2.67Å; E229-K313 IonicContact OE1-NZ 3.44Å; E229-K313 PolarHBondContact OE1-NZ 2.81Å; E229-K313 VanDerWaalsContact OE2-CE 3.29Å; E229-K313 WeakPolarHBondContact OE2-CE 3.46Å; E229-K313 IonicContact OE2-NZ 3.52Å; E229-K313 PolarHBondContact OE2-NZ 3.33Å
230V67.5Low54.1Low67 Ų6797.6 Ų97.641%0.40650%0.5SS..  trans-117.4124.5170.7-175.40000107L228 S232 Y348L228-V230 HydrophobicContact CG-CG2 4.34Å; V230-S232 PolarHBondContact O-N 3.3Å; V230-S232 VanDerWaalsContact O-N 3.09Å; V230-Y348 HydrophobicContact CG1-CD1 4.2Å; V230-Y348 HydrophobicContact CG2-CD1 3.88Å; V230-Y348 HydrophobicContact CG2-CD2 4.35Å; V230-Y348 HydrophobicContact CG2-CE1 4.35Å; V230-Y348 HydrophobicContact CG2-CG 3.88Å
231P56.4Low51.5Low87 Ų87102.9 Ų102.957%0.56552%0.518SS*.  trans-57.9115.4178.1-19.630.1000110.6I308 L309P231-I308 WeakPolarHBondContact CG-O 3.5Å; P231-L309 WeakPolarHBondContact CD-O 3.4Å; P231-L309 WeakPolarHBondContact CG-O 3.45Å
232S39.2Very low48.7Very low103 Ų103109.2 Ų109.272%0.7255%0.552SS**  trans-77.6133174.155.10000110.7V230V230-S232 PolarHBondContact O-N 3.3Å; V230-S232 VanDerWaalsContact O-N 3.09Å
233K31.8Very low45.7Very low116 Ų116113.1 Ų113.150%0.50458%0.579SS.*  trans-63.1138.5161.6-79.9177.6169.7-1800109.1D296K233-D296 PolarHBondContact NZ-O 3.28Å
234H28.2Very low43Very low171 Ų171110.9 Ų110.979%0.79258%0.58SS**  trans93.8128.4-173.5-55-58.4000112.6
235Q27.3Very low40.5Very low160 Ų160112.8 Ų112.875%0.74860%0.6SS**  cis-164.198.746.8-157.4166.430.700111V237Q235-V237 HydrophobicContact CG-CB 3.94Å; Q235-V237 HydrophobicContact CG-CG2 4.13Å; Q235-V237 PolarHBondContact O-N 3.46Å
236N23Very low37.7Very low181 Ų181119.3 Ų119.397%0.96863%0.634SS**  trans-78.250.5160.7-102.4-16.4000110.2
237V22.9Very low34.8Very low103 Ų103128.8 Ų128.862%0.62467%0.671SS**SBendtrans-124.3107.5176-171.10000108.8Q235Q235-V237 HydrophobicContact CG-CB 3.94Å; Q235-V237 HydrophobicContact CG-CG2 4.13Å; Q235-V237 PolarHBondContact O-N 3.46Å
238S22.5Very low32.2Very low90 Ų90131.5 Ų131.563%0.62969%0.692SS**  trans-13.6134.9170.957.10000117.1K240S238-K240 PolarHBondContact O-N 2.87Å
239P22.3Very low29.6Very low132 Ų132135.8 Ų135.886%0.85772%0.722SS**SBendtrans-76.781.8-175.433.4-34.8000110.6
240K20.9Very low27.3Very low177 Ų177139.5 Ų139.577%0.7774%0.743SS**  trans-151.483.8169.1-72.1-171.7180173.90109S238S238-K240 PolarHBondContact O-N 2.87Å
241F20.4Very low25Very low218 Ų218148.1 Ų148.196%0.95677%0.768SS**  trans-168.496.7142.3-100.2-69000110.9
242N20.7Very low23.3Very low144 Ų144147 Ų14777%0.7777%0.772SS**  trans12.9119.1144.2-1460.8000120.5
243V20.3Very low22.6Very low115 Ų115151.5 Ų151.570%0.69778%0.781SS**SBendtrans-13.3143.1144.4-1700000116.6
244N19.7Very low22.2Very low126 Ų126154 Ų15467%0.67480%0.8SS**  trans97.884170-59.5-35.4000116.3
245N20.4Very low22.1Very low169 Ų169155.1 Ų155.190%0.90481%0.805SS**  trans-12995.6147-98.2-18.9000109.5
246I21.1Very low21.9Very low152 Ų152152.1 Ų152.178%0.77980%0.802SS**PPolyproline II helixtrans-62.9133.8168.9-69.2160.4000108.6
247Y19.6Very low22Very low216 Ų216150.4 Ų150.485%0.84779%0.793SS**PPolyproline II helixtrans-46.9132.4175.5-75.1-98.5000113.4
248P22Very low22.3Very low109 Ų109152.9 Ų152.971%0.70880%0.802SS**PPolyproline II helixtrans-85128.5170.39.85.9000111.1I250P248-I250 PolarHBondContact O-N 3.21Å
249P21.7Very low22.5Very low129 Ų129157.1 Ų157.184%0.83881%0.81SS**  trans-82.9111.817631.1-29.3000110.3
250I24.6Very low22.6Very low164 Ų164158 Ų15884%0.84180%0.8SS**  trans-97.899.6178-58.5177.8000109.2P248P248-I250 PolarHBondContact O-N 3.21Å
251R19.3Very low22.9Very low249 Ų249154.6 Ų154.694%0.9480%0.799SS**  trans-105.9116.1169.9-166.6-177.7-169176.14.1108
252G21.6Very low23.3Very low62 Ų62152.7 Ų152.764%0.63979%0.791SS**  trans104.2109.8156.900000116.4
253Q24.9Very low23.6Very low198 Ų198151.5 Ų151.593%0.92578%0.784SS**  -17391126.1-101173-3.900108.9
254L21.9Very low23.9Very low169 Ų169155 Ų15589%0.88579%0.79SS**  trans-68.1124.6152.9-88.686.8000107.4
255Q27.5Very low24.2Very low194 Ų194156.9 Ų156.991%0.90780%0.8SS**  trans-142.8108.8143.7-75.1-161.5-19.200109.1
256S22.7Very low24.6Very low97 Ų97153.2 Ų153.268%0.67879%0.793SS**  trans-71153.3165.745.30000111
257N25.5Very low25Very low145 Ų145151.5 Ų151.578%0.77579%0.794SS**  trans103.895.9169.4-52.9-14.8000114.4
258D28.2Very low25.4Very low155 Ų155148.9 Ų148.983%0.82979%0.793SS**  170.579.6120.4-83.3-16.6000109.7F260D258-F260 VanDerWaalsContact C-N 3.34Å; D258-F260 PolarHBondContact O-N 2.97Å
259F26.3Very low25.7Very low179 Ų179146.8 Ų146.879%0.78578%0.779SS**SBendtrans-84.96.9-171.2-156.5-99.6000114.2
260F25Very low26.4Very low150 Ų150143.3 Ų143.366%0.65876%0.758SS**  trans-136.915.4-166.3-68.6-71000117.2D258 F262D258-F260 VanDerWaalsContact C-N 3.34Å; D258-F260 PolarHBondContact O-N 2.97Å; F260-F262 PolarHBondContact O-N 3.35Å
261S27Very low26.9Very low107 Ų107140.3 Ų140.375%0.74875%0.749SS**THydrogen-bonded Turntrans-82.40.6-175.4-164.30000116.3
262F28.7Very low27.9Very low177 Ų177131.8 Ų131.878%0.77673%0.727SS**THydrogen-bonded Turntrans-91.6-3.3-17784.6-91.5000115.1F260 F264F260-F262 PolarHBondContact O-N 3.35Å; F262-F264 PolarHBondContact O-N 2.78Å
263L26.5Very low28.7Very low119 Ų119132.5 Ų132.562%0.62372%0.716SS**  trans-87.714.6-175.1-75.7173.2000115.7
264F28.1Very low28.9Very low188 Ų188127.8 Ų127.883%0.82570%0.696SS**  trans-109.5103.2177.2-73.1-74.4000112.8F262 A266F262-F264 PolarHBondContact O-N 2.78Å; F264-A266 PolarHBondContact O-N 3.38Å; F264-A266 VanDerWaalsContact O-N 3.14Å
265D25.4Very low29.4Very low166 Ų166123.5 Ų123.589%0.88868%0.679SS**  trans-48.4101163.7-78.8-42.5000112.2
266A28.7Very low29.6Very low92 Ų92121.2 Ų121.276%0.7667%0.666SS**  trans-166.8-8.3158.900000116.5F264F264-A266 PolarHBondContact O-N 3.38Å; F264-A266 VanDerWaalsContact O-N 3.14Å
267C28.9Very low30Very low117 Ų117120.5 Ų120.579%0.79166%0.661SS**  trans-134.262.8-172.8-76.60000112.2P269C267-P269 WeakPolarHBondContact O-CD 3.29Å
268I29.2Very low30.1Very low161 Ų161120.2 Ų120.283%0.82666%0.659SS**  trans-73.7108.7163.6-58.4176000106.9
269P28.5Very low30.1Very low64 Ų64123 Ų12342%0.41666%0.657SS.*  trans-71.7145-176.8-11.629.3000110C267 N273C267-P269 WeakPolarHBondContact O-CD 3.29Å; P269-N273 HydrophobicContact CB-CB 3.84Å
270S36.7Very low29.9Very low57 Ų57122 Ų12240%0.39966%0.655SS.*  trans-52.9152.7175.1740000112.1S272 N273 M274S270-S272 PolarHBondContact O-N 3.15Å; S270-S272 PolarHBondContact OG-OG 3.2Å; S270-N273 WeakPolarHBondContact O-CA 3.19Å; S270-N273 PolarHBondContact O-N 3.37Å; S270-M274 PolarHBondContact O-N 3.07Å
271P33.3Very low29.8Very low101 Ų101121 Ų12166%0.65666%0.664SS**Hα-helixtrans-51.5-31.9-176.8-28.234000114.1M274 C275P271-M274 WeakPolarHBondContact O-CB 3.5Å; P271-M274 PolarHBondContact O-N 3.18Å; P271-C275 WeakPolarHBondContact O-CB 3.26Å; P271-C275 PolarHBondContact O-N 3.49Å; P271-C275 PolarHBondContact O-SG 3.04Å; P271-C275 VanDerWaalsContact O-SG 3.42Å
272S40.7Very low29.5Very low70 Ų70120.7 Ų120.749%0.4966%0.662SS.*Hα-helixtrans-68.7-34.5176.979.80000113.2S270 K276S270-S272 PolarHBondContact O-N 3.15Å; S270-S272 PolarHBondContact OG-OG 3.2Å; S272-K276 WeakPolarHBondContact O-CG 3.18Å; S272-K276 PolarHBondContact O-N 3.09Å; S272-K276 VanDerWaalsContact O-N 3.13Å
273N39.5Very low29.2Very low76 Ų76122.9 Ų122.941%0.40667%0.666SS.*Hα-helixtrans-79.5-32.7175.5-71.5-15.8000111.1P269 S270 K276 S277P269-N273 HydrophobicContact CB-CB 3.84Å; S270-N273 WeakPolarHBondContact O-CA 3.19Å; S270-N273 PolarHBondContact O-N 3.37Å; N273-K276 PolarHBondContact O-N 2.98Å; N273-S277 WeakPolarHBondContact O-CB 3.44Å; N273-S277 PolarHBondContact O-N 3.5Å; N273-S277 PolarHBondContact O-OG 3.13Å
274M28.6Very low28.9Very low100 Ų100121.6 Ų121.649%0.49367%0.673SS.*Hα-helixtrans-58.4-48.4166.2-103.1-174.966.700111S270 P271 K276 S277 L278S270-M274 PolarHBondContact O-N 3.07Å; P271-M274 WeakPolarHBondContact O-CB 3.5Å; P271-M274 PolarHBondContact O-N 3.18Å; M274-K276 VanDerWaalsContact C-N 3.27Å; M274-K276 PolarHBondContact O-N 2.82Å; M274-S277 PolarHBondContact O-N 2.9Å; M274-S277 VanDerWaalsContact O-N 3.12Å; M274-L278 HydrophobicContact CE-CD1 4.47Å; M274-L278 WeakPolarHBondContact O-CB 3.33Å; M274-L278 WeakPolarHBondContact O-CG 3.27Å; M274-L278 PolarHBondContact O-N 2.99Å
275C31.3Very low28.6Very low78 Ų78118.1 Ų118.153%0.52767%0.672SS.*Hα-helixtrans-62.3-31.8177.3-78.60000113.3P271 R279P271-C275 WeakPolarHBondContact O-CB 3.26Å; P271-C275 PolarHBondContact O-N 3.49Å; P271-C275 PolarHBondContact O-SG 3.04Å; P271-C275 VanDerWaalsContact O-SG 3.42Å; C275-R279 WeakPolarHBondContact O-CG 3.27Å
276K33.1Very low28.3Very low146 Ų146118.8 Ų118.864%0.63568%0.676SS**Hα-helixtrans-75.9-34.6174-75.1178.21801770112.5S272 N273 M274 R279S272-K276 WeakPolarHBondContact O-CG 3.18Å; S272-K276 PolarHBondContact O-N 3.09Å; S272-K276 VanDerWaalsContact O-N 3.13Å; N273-K276 PolarHBondContact O-N 2.98Å; M274-K276 VanDerWaalsContact C-N 3.27Å; M274-K276 PolarHBondContact O-N 2.82Å; K276-R279 PolarHBondContact O-N 2.94Å
277S30.2Very low28Very low82 Ų82118.7 Ų118.757%0.57367%0.669SS**Hα-helixtrans-75.7-37179.7-53.50000111.7N273 M274 R279 Q280N273-S277 WeakPolarHBondContact O-CB 3.44Å; N273-S277 PolarHBondContact O-N 3.5Å; N273-S277 PolarHBondContact O-OG 3.13Å; M274-S277 PolarHBondContact O-N 2.9Å; M274-S277 VanDerWaalsContact O-N 3.12Å; S277-R279 PolarHBondContact O-N 3.38Å; S277-R279 VanDerWaalsContact O-N 3.13Å; S277-Q280 PolarHBondContact O-N 3.41Å
278L28.2Very low27.6Very low139 Ų139119.4 Ų119.473%0.72867%0.669SS**THydrogen-bonded Turntrans-63.8-13.3170-71.5169.9000113.1M274M274-L278 HydrophobicContact CE-CD1 4.47Å; M274-L278 WeakPolarHBondContact O-CB 3.33Å; M274-L278 WeakPolarHBondContact O-CG 3.27Å; M274-L278 PolarHBondContact O-N 2.99Å
279R27.5Very low27.4Very low213 Ų213118.5 Ų118.580%0.80466%0.66SS**THydrogen-bonded Turntrans-955.9177.2-78.3-177.3179.5-167.50.3114.3C275 K276 S277C275-R279 WeakPolarHBondContact O-CG 3.27Å; K276-R279 PolarHBondContact O-N 2.94Å; S277-R279 PolarHBondContact O-N 3.38Å; S277-R279 VanDerWaalsContact O-N 3.13Å
280Q22Very low27.1Very low159 Ų159126 Ų12674%0.74368%0.681SS**  trans-122.5106.3171.7-68.9-156.1-14.600111.4S277 S282S277-Q280 PolarHBondContact O-N 3.41Å; Q280-S282 PolarHBondContact O-N 2.96Å
281P22.9Very low26.3Very low129 Ų129132.7 Ų132.784%0.83871%0.707SS**  trans-78.7115.6175.930-28.8000109.2
282S21.1Very low25.8Very low100 Ų100133.4 Ų133.470%0.69971%0.709SS**  trans-122.9107172.455.90000110.8Q280Q280-S282 PolarHBondContact O-N 2.96Å
283Y22.1Very low25Very low224 Ų224133.6 Ų133.688%0.87871%0.71SS**  trans43.1118.6140-62.8-84.4000119.9
284A20.8Very low24.4Very low92 Ų92136.8 Ų136.876%0.7673%0.727SS**  149.4106.6102.500000111.6
285S21.2Very low24.3Very low115 Ų115140.2 Ų140.280%0.80474%0.741SS**  trans-167.9126146.8-79.60000108.5S287S285-S287 VanDerWaalsContact C-N 3.34Å; S285-S287 PolarHBondContact O-N 2.68Å
286N20.7Very low24Very low180 Ų180141.5 Ų141.596%0.96374%0.743SS**  trans-72.463-166.1-72.1-32.1000115.2
287S21Very low23.7Very low89 Ų89140 Ų14062%0.62275%0.746SS**  trans-102.8123.8161.761.80000109.8S285 F289S285-S287 VanDerWaalsContact C-N 3.34Å; S285-S287 PolarHBondContact O-N 2.68Å; S287-F289 PolarHBondContact O-N 3.15Å
288V22Very low23.5Very low132 Ų132138.9 Ų138.980%0.874%0.737SS**SBendtrans-76.952.5177.9-178.20000109.1
289F24.2Very low23.4Very low143 Ų143138.8 Ų138.863%0.62774%0.742SS**SBendtrans-149.4114-179.9-65.3-73.7000109.4S287 E291S287-F289 PolarHBondContact O-N 3.15Å; F289-E291 PolarHBondContact O-N 2.93Å
290Y21.5Very low23.3Very low220 Ų220134.8 Ų134.886%0.86374%0.741SS**  trans-59.9118.9-173.1-78-94.8000111.7V292Y290-V292 PolarHBondContact O-N 3.41Å
291E20.1Very low23.5Very low199 Ų199133.7 Ų133.793%0.9374%0.737SS**  trans-62.7113.5162.8-85.2-178.6150.500109.2F289 S293F289-E291 PolarHBondContact O-N 2.93Å; E291-S293 PolarHBondContact O-N 3.16Å
292V23.9Very low23.6Very low116 Ų116134.4 Ų134.470%0.70374%0.738SS**  trans-82.1111.5170.1179.80000107.7Y290Y290-V292 PolarHBondContact O-N 3.41Å
293S23.8Very low24Very low74 Ų74134 Ų13452%0.51772%0.722SS.*  trans-65.5145.4175.688.30000111.3E291 H295E291-S293 PolarHBondContact O-N 3.16Å; S293-H295 PolarHBondContact O-N 3.46Å
294D27.2Very low24.5Very low143 Ų143131.5 Ų131.577%0.76572%0.719SS**THydrogen-bonded Turntrans-57.62.8-176.8-88-44000116.1
295H25.7Very low25.3Very low171 Ų171136.1 Ų136.179%0.79273%0.725SS**THydrogen-bonded Turntrans-110.66-172.9-75.4-22000116.6S293S293-H295 PolarHBondContact O-N 3.46Å
296D24.3Very low26.5Very low106 Ų106134.7 Ų134.757%0.56771%0.714SS**  trans-12847.9-176.7-78.4-45.5000114.6K233K233-D296 PolarHBondContact NZ-O 3.28Å
297V27Very low28.4Very low115 Ų115128.7 Ų128.770%0.69768%0.684SS**  trans-78.1122162.4-176.80000108.4T299V297-T299 PolarHBondContact O-N 3.12Å
298P26.2Very low30.4Very low57 Ų57127.3 Ų127.337%0.3767%0.67SS.*  trans-67.6115-168.525.7-31.4000111.8T300P298-T300 PolarHBondContact O-N 3.37Å
299T26.9Very low32.6Very low137 Ų137123.6 Ų123.684%0.8465%0.645SS**  trans-86.77.7-175.432.30000115.3V297V297-T299 PolarHBondContact O-N 3.12Å
300T24.7Very low35Very low129 Ų129116.9 Ų116.979%0.79162%0.616SS**  trans-147.428.6-166.3490000117.2P298P298-T300 PolarHBondContact O-N 3.37Å
301Q25.4Very low37.8Very low137 Ų137106.5 Ų106.564%0.6458%0.575SS**  trans-115.6119.5171.4-79.9-179.6-18.700112.2Y303Q301-Y303 WeakPolarHBondContact O-CD2 3.39Å; Q301-Y303 WeakPolarHBondContact O-CE2 3.39Å; Q301-Y303 PolarHBondContact O-N 3.25Å
302T25.5Very low40.8Very low143 Ų14397.1 Ų97.188%0.87753%0.531SS*.  trans-62.5108.1159.541.70000107.6E304T302-E304 PolarHBondContact O-N 3.39Å
303Y29.7Very low43.5Very low91 Ų9193.5 Ų93.536%0.35751%0.506SS..  trans-72.9120.3180-65.7-79.1000109.3Q301 T307Q301-Y303 WeakPolarHBondContact O-CD2 3.39Å; Q301-Y303 WeakPolarHBondContact O-CE2 3.39Å; Q301-Y303 PolarHBondContact O-N 3.25Å; Y303-T307 HydrophobicContact CD1-CG2 4.02Å; Y303-T307 WeakPolarHBondContact CD1-OG1 3.38Å
304E33Very low46.2Very low173 Ų17390 Ų9081%0.80848%0.482SS*.  trans-63.6156160.9-71.3-176.816700109.4T302 S306T302-E304 PolarHBondContact O-N 3.39Å; E304-S306 PolarHBondContact O-N 3.17Å
305E36.6Very low48.2Very low189 Ų18986.9 Ų86.988%0.88347%0.465SS*.THydrogen-bonded Turntrans-21.2108.6-178.2-64.1175.4165.100115.3
306S46.4Very low50.5Low84 Ų8478.9 Ų78.959%0.58743%0.428SS*.THydrogen-bonded Turntrans53.357.2166.263.10000117.5E304 I308E304-S306 PolarHBondContact O-N 3.17Å; S306-I308 PolarHBondContact O-N 2.88Å
307T60.7Low52.8Low54 Ų5478 Ų7833%0.33142%0.419SS..  trans-66.1123.817042.90000112.6Y303 A414Y303-T307 HydrophobicContact CD1-CG2 4.02Å; Y303-T307 WeakPolarHBondContact CD1-OG1 3.38Å; T307-A414 WeakPolarHBondContact O-CB 3.17Å; T307-A414 PolarHBondContact O-N 3.34Å
308I63.2Low54.9Low61 Ų6175 Ų7531%0.31340%0.402SS..EExtended strand (participates in β ladder)trans-75.7123.5172.8-59.6174.2000108.8P231 S306 T411P231-I308 WeakPolarHBondContact CG-O 3.5Å; S306-I308 PolarHBondContact O-N 2.88Å; I308-T411 HydrophobicContact CD1-CG2 4.24Å; I308-T411 HydrophobicContact CG2-CG2 3.99Å
309L68.3Low57.1Low53 Ų5373 Ų7328%0.27739%0.392SS..EExtended strand (participates in β ladder)trans-85.3-32.8-178-66.4174.8000113.3P231 L412 A414P231-L309 WeakPolarHBondContact CD-O 3.4Å; P231-L309 WeakPolarHBondContact CG-O 3.45Å; L309-L412 HydrophobicContact CB-CB 4.49Å; L309-L412 HydrophobicContact CB-CD2 4.19Å; L309-L412 HydrophobicContact CB-CG 4.19Å; L309-L412 WeakPolarHBondContact CB-O 3.32Å; L309-L412 HydrophobicContact CD1-CD2 4.26Å; L309-L412 HydrophobicContact CD1-CG 4.23Å; L309-L412 PolarHBondContact N-O 3Å; L309-A414 HydrophobicContact CD1-CB 4.34Å; L309-A414 HydrophobicContact CD2-CB 4.4Å; L309-A414 HydrophobicContact CG-CB 4.22Å
310A75.5Confident59.6Low2 Ų267.1 Ų67.12%0.01736%0.356CS..EExtended strand (participates in β ladder)trans-158.5146.3174.500000109.1Y348 I349 T411 L412A310-Y348 WeakPolarHBondContact CB-O 3.44Å; A310-I349 HydrophobicContact CB-CG1 4Å; A310-T411 WeakPolarHBondContact O-CA 3.26Å; A310-L412 PolarHBondContact O-N 3.43Å
311S80.8Confident62.2Low3 Ų361.1 Ų61.12%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-140.7134.6173.884.30000113.7L228 E229 L410L228-S311 CarbonylContact C-O 3.5Å; E229-S311 PolarHBondContact N-O 3.29Å; E229-S311 PolarHBondContact O-N 2.85Å; E229-S311 PolarHBondContact OE2-OG 2.67Å; S311-L410 CarbonylContact C-O 3.57Å; S311-L410 VanDerWaalsContact CA-O 3.22Å; S311-L410 WeakPolarHBondContact CA-O 3.47Å
312L83Confident64.7Low1 Ų155.4 Ų55.41%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-104.6126.6170.4174.673.1000108.7I226 L228 L341 I345 I349 R409 L410 L460I226-L312 HydrophobicContact CG2-CD1 4.1Å; L228-L312 HydrophobicContact CB-CD1 4.46Å; L228-L312 HydrophobicContact CD1-CB 4.01Å; L228-L312 HydrophobicContact CD1-CD1 4.22Å; L312-L341 HydrophobicContact CD1-CD1 4.32Å; L312-I345 HydrophobicContact CD2-CD1 3.71Å; L312-I345 HydrophobicContact CD2-CG1 4.05Å; L312-I349 HydrophobicContact CB-CD1 4.09Å; L312-R409 WeakPolarHBondContact O-CA 3.32Å; L312-L410 HydrophobicContact CB-CB 4.27Å; L312-L410 PolarHBondContact N-O 3.22Å; L312-L410 PolarHBondContact O-N 2.98Å; L312-L460 HydrophobicContact CD2-CD2 4.08Å
313K79.4Confident67.4Low41 Ų4149.6 Ų49.618%0.17826%0.257CS..EExtended strand (participates in β ladder)trans-121128.3178.3-61.8176.1-172167.50109.9I227 E229 L315 L408 R409I227-K313 HydrophobicContact CB-CB 4.48Å; I227-K313 PolarHBondContact N-O 3.25Å; I227-K313 PolarHBondContact O-N 3.48Å; E229-K313 IonicContact OE1-NZ 3.44Å; E229-K313 PolarHBondContact OE1-NZ 2.81Å; E229-K313 VanDerWaalsContact OE2-CE 3.29Å; E229-K313 WeakPolarHBondContact OE2-CE 3.46Å; E229-K313 IonicContact OE2-NZ 3.52Å; E229-K313 PolarHBondContact OE2-NZ 3.33Å; K313-L315 HydrophobicContact CB-CD2 4.36Å; K313-L408 WeakPolarHBondContact CA-O 3.44Å; K313-R409 HydrophobicContact CG-CG 4.37Å
314I79.9Confident70Confident1 Ų145.3 Ų45.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-111.498173.8-55.1175.6000108.6W225 A316 V321 Y407 L408 L464W225-I314 CarbonylContact O-C 3.4Å; W225-I314 WeakPolarHBondContact O-CA 3.27Å; I314-A316 PolarHBondContact O-N 3.48Å; I314-V321 HydrophobicContact CG2-CG2 4.19Å; I314-Y407 WeakPolarHBondContact O-CB 3.4Å; I314-L408 HydrophobicContact CB-CB 4.27Å; I314-L408 HydrophobicContact CD1-CB 4.32Å; I314-L408 HydrophobicContact CD1-CD2 3.76Å; I314-L408 HydrophobicContact CG1-CB 4.48Å; I314-L408 PolarHBondContact N-O 2.8Å; I314-L464 HydrophobicContact CD1-CD1 3.72Å; I314-L464 HydrophobicContact CD1-CD2 3.72Å; I314-L464 HydrophobicContact CD1-CG 3.52Å
315L71.2Confident72.2Confident76 Ų7637.4 Ų37.440%0.39820%0.204SC..  trans-87.734.3-172.4-57.9-179.8000113.5W225 I227 K313 Y407W225-L315 PolarHBondContact O-N 3.35Å; I227-L315 HydrophobicContact CD1-CD1 3.53Å; I227-L315 HydrophobicContact CD1-CG 4.46Å; I227-L315 HydrophobicContact CG1-CD1 4.39Å; K313-L315 HydrophobicContact CB-CD2 4.36Å; L315-Y407 HydrophobicContact CD2-CD2 4.2Å; L315-Y407 HydrophobicContact CD2-CG 4.22Å
316A72.3Confident74.4Confident4 Ų431.1 Ų31.13%0.03317%0.172CC..SBendtrans-144.8150.8179.700000111.1W225 I314 V321W225-A316 HydrophobicContact CB-CB 3.97Å; W225-A316 HydrophobicContact CD2-CB 3.58Å; W225-A316 HydrophobicContact CE3-CB 3.8Å; W225-A316 HydrophobicContact CG-CB 3.65Å; W225-A316 HydrophobicContact CZ3-CB 4.5Å; I314-A316 PolarHBondContact O-N 3.48Å; A316-V321 HydrophobicContact CB-CG2 3.78Å
317K73.1Confident76.1Confident87 Ų8727.2 Ų27.238%0.37814%0.144SC..  trans-63144.1173.3-67.6178.9-176.7170.40109.7G319 L320 V321K317-G319 PolarHBondContact O-N 3.19Å; K317-G319 VanDerWaalsContact O-N 3.12Å; K317-L320 PolarHBondContact O-N 3.02Å; K317-V321 PolarHBondContact O-N 3.36Å; K317-V321 VanDerWaalsContact O-N 3.13Å
318P71.6Confident77.2Confident51 Ų5124.6 Ų24.633%0.33113%0.128SC..Hα-helixtrans-56.3-32.6-179.420.5-32000113V321 S322 L467P318-V321 PolarHBondContact O-N 2.96Å; P318-S322 WeakPolarHBondContact O-CB 2.93Å; P318-S322 PolarHBondContact O-N 3.08Å; P318-L467 HydrophobicContact CB-CD2 4.05Å
319G72.5Confident78.1Confident16 Ų1623.6 Ų23.617%0.16512%0.122CC..Hα-helixtrans-62.9-42.7174.800000113.9E165 K317 S322 Q323E165-G319 WeakPolarHBondContact OE1-CA 3.3Å; K317-G319 PolarHBondContact O-N 3.19Å; K317-G319 VanDerWaalsContact O-N 3.12Å; G319-S322 WeakPolarHBondContact O-CB 2.96Å; G319-S322 PolarHBondContact O-N 3.27Å; G319-Q323 WeakPolarHBondContact O-CG 3.31Å; G319-Q323 PolarHBondContact O-N 2.94Å; G319-Q323 VanDerWaalsContact O-N 3.09Å
320L78.4Confident78.6Confident14 Ų1422 Ų227%0.07312%0.116CC..Hα-helixtrans-67.9-42.1176.1-67.5177.7000111.7I163 E165 Y168 W225 K317 S322 Q323 L324I163-L320 HydrophobicContact CG2-CD2 4.11Å; E165-L320 HydrophobicContact CB-CD2 4.3Å; E165-L320 HydrophobicContact CG-CD2 4.31Å; Y168-L320 HydrophobicContact CD1-CD2 3.96Å; Y168-L320 HydrophobicContact CG-CD2 4.35Å; W225-L320 HydrophobicContact CH2-CB 3.79Å; W225-L320 HydrophobicContact CZ2-CB 4.5Å; W225-L320 HydrophobicContact CZ3-CB 3.93Å; W225-L320 WeakPolarHBondContact CZ3-O 3.32Å; K317-L320 PolarHBondContact O-N 3.02Å; L320-S322 VanDerWaalsContact C-N 3.28Å; L320-S322 PolarHBondContact O-N 3.36Å; L320-Q323 PolarHBondContact O-N 3.41Å; L320-L324 PolarHBondContact O-N 2.97Å
321V79.4Confident78.9Confident2 Ų222.1 Ų22.11%0.01212%0.117CC..Hα-helixtrans-59.2-42.8174.6178.90000110.2W225 I314 A316 K317 P318 Q323 L324 L325 L464 L467W225-V321 HydrophobicContact CE3-CG2 4.43Å; I314-V321 HydrophobicContact CG2-CG2 4.19Å; A316-V321 HydrophobicContact CB-CG2 3.78Å; K317-V321 PolarHBondContact O-N 3.36Å; K317-V321 VanDerWaalsContact O-N 3.13Å; P318-V321 PolarHBondContact O-N 2.96Å; V321-Q323 PolarHBondContact O-N 3.2Å; V321-L324 PolarHBondContact O-N 3.41Å; V321-L325 HydrophobicContact CG1-CD1 4.11Å; V321-L325 HydrophobicContact CG1-CG 4.37Å; V321-L325 VanDerWaalsContact O-CG 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.28Å; V321-L325 PolarHBondContact O-N 3.35Å; V321-L464 HydrophobicContact CG1-CD2 4.43Å; V321-L467 HydrophobicContact CB-CD1 4.44Å; V321-L467 HydrophobicContact CG1-CD1 4.23Å
322S78.4Confident78.9Confident18 Ų1829.2 Ų29.213%0.12615%0.147CC..Hα-helixtrans-57.9-47.4174.6-179.80000112.3P318 G319 L320 L324 L325 R326P318-S322 WeakPolarHBondContact O-CB 2.93Å; P318-S322 PolarHBondContact O-N 3.08Å; G319-S322 WeakPolarHBondContact O-CB 2.96Å; G319-S322 PolarHBondContact O-N 3.27Å; L320-S322 VanDerWaalsContact C-N 3.28Å; L320-S322 PolarHBondContact O-N 3.36Å; S322-L324 VanDerWaalsContact C-N 3.35Å; S322-L324 PolarHBondContact O-N 3.41Å; S322-L325 PolarHBondContact O-N 2.92Å; S322-R326 WeakPolarHBondContact O-CG 3.36Å; S322-R326 PolarHBondContact O-N 2.9Å
323Q82.2Confident78.6Confident20 Ų2031 Ų319%0.09316%0.156CC..Hα-helixtrans-64.8-36.7177.8-62.8-44.1-4800112.7Y168 R169 V172 G319 L320 V321 R326 I327Y168-Q323 HydrophobicContact CD1-CB 3.52Å; Y168-Q323 HydrophobicContact CD1-CG 4.03Å; Y168-Q323 HydrophobicContact CE1-CB 3.41Å; Y168-Q323 VanDerWaalsContact CE1-CB 3.41Å; Y168-Q323 HydrophobicContact CE1-CG 4.41Å; R169-Q323 HydrophobicContact CB-CG 4.3Å; V172-Q323 HydrophobicContact CG2-CB 4.2Å; G319-Q323 WeakPolarHBondContact O-CG 3.31Å; G319-Q323 PolarHBondContact O-N 2.94Å; G319-Q323 VanDerWaalsContact O-N 3.09Å; L320-Q323 PolarHBondContact O-N 3.41Å; V321-Q323 PolarHBondContact O-N 3.2Å; Q323-R326 PolarHBondContact O-N 3.25Å; Q323-I327 PolarHBondContact O-N 2.93Å
324L83.9Confident78.3Confident2 Ų229.6 Ų29.61%0.0115%0.151CC..Hα-helixtrans-64.4-43.1173.5178.665.6000111.6V218 L221 W222 W225 L320 V321 S322 R326 I327 I328V218-L324 HydrophobicContact CB-CD1 4.45Å; V218-L324 HydrophobicContact CG1-CD1 4.16Å; V218-L324 HydrophobicContact CG2-CD1 4.25Å; L221-L324 HydrophobicContact CB-CD1 4.05Å; L221-L324 HydrophobicContact CB-CD2 4.22Å; L221-L324 HydrophobicContact CD1-CD1 4.14Å; W222-L324 HydrophobicContact CE3-CD2 4.24Å; W225-L324 HydrophobicContact CE3-CB 4.38Å; W225-L324 HydrophobicContact CE3-CD2 3.63Å; W225-L324 HydrophobicContact CZ3-CB 3.76Å; W225-L324 HydrophobicContact CZ3-CD2 3.82Å; W225-L324 HydrophobicContact CZ3-CG 4.34Å; L320-L324 PolarHBondContact O-N 2.97Å; V321-L324 PolarHBondContact O-N 3.41Å; S322-L324 VanDerWaalsContact C-N 3.35Å; S322-L324 PolarHBondContact O-N 3.41Å; L324-R326 VanDerWaalsContact C-N 3.29Å; L324-R326 PolarHBondContact O-N 3Å; L324-I327 PolarHBondContact O-N 3.28Å; L324-I328 HydrophobicContact CD1-CD1 4.3Å; L324-I328 HydrophobicContact CD2-CD1 4.41Å; L324-I328 HydrophobicContact CG-CD1 3.83Å; L324-I328 HydrophobicContact CG-CG1 4.48Å; L324-I328 VanDerWaalsContact O-CG1 3.32Å; L324-I328 WeakPolarHBondContact O-CG1 3.44Å; L324-I328 PolarHBondContact O-N 2.64Å
325L80.3Confident77.8Confident7 Ų732.8 Ų32.84%0.03717%0.165CC..Hα-helixtrans-61.9-36176.8-69.8173.7000112.1W222 V321 S322 I328 E329 I338 L467 F477W222-L325 HydrophobicContact CZ3-CD2 3.89Å; V321-L325 HydrophobicContact CG1-CD1 4.11Å; V321-L325 HydrophobicContact CG1-CG 4.37Å; V321-L325 VanDerWaalsContact O-CG 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.28Å; V321-L325 PolarHBondContact O-N 3.35Å; S322-L325 PolarHBondContact O-N 2.92Å; L325-I328 HydrophobicContact CD2-CD1 4.28Å; L325-I328 PolarHBondContact O-N 2.95Å; L325-E329 WeakPolarHBondContact O-CB 2.84Å; L325-E329 PolarHBondContact O-N 3.29Å; L325-I338 HydrophobicContact CD2-CD1 4.18Å; L325-L467 HydrophobicContact CD1-CD1 4.2Å; L325-F477 HydrophobicContact CB-CE1 4.23Å; L325-F477 HydrophobicContact CB-CE2 4.39Å; L325-F477 HydrophobicContact CB-CZ 3.93Å; L325-F477 HydrophobicContact CD1-CD1 4.13Å; L325-F477 HydrophobicContact CD1-CE1 3.7Å; L325-F477 HydrophobicContact CD1-CZ 4.27Å; L325-F477 HydrophobicContact CD2-CE1 3.72Å; L325-F477 HydrophobicContact CD2-CZ 3.8Å; L325-F477 HydrophobicContact CG-CE1 4.08Å; L325-F477 HydrophobicContact CG-CZ 4.2Å
326R82Confident77.9Confident57 Ų5732.6 Ų32.622%0.21517%0.17CC..Hα-helixtrans-61.3-42.2173.1-70176.368-155.91112.8V172 D173 I176 S322 Q323 L324 E329 A330V172-R326 HydrophobicContact CG1-CB 4.41Å; D173-R326 IonicContact OD1-CZ 3.77Å; D173-R326 IonicContact OD1-NH1 2.81Å; D173-R326 PolarHBondContact OD1-NH1 3.18Å; D173-R326 IonicContact OD1-NH2 2.76Å; D173-R326 PolarHBondContact OD1-NH2 3.19Å; I176-R326 HydrophobicContact CD1-CB 3.93Å; S322-R326 WeakPolarHBondContact O-CG 3.36Å; S322-R326 PolarHBondContact O-N 2.9Å; Q323-R326 PolarHBondContact O-N 3.25Å; L324-R326 VanDerWaalsContact C-N 3.29Å; L324-R326 PolarHBondContact O-N 3Å; R326-E329 PolarHBondContact O-N 3.5Å; R326-A330 WeakPolarHBondContact O-CB 3.24Å; R326-A330 PolarHBondContact O-N 3.29Å
327I82.6Confident78Confident1 Ų133.6 Ų33.61%0.00517%0.173CC..Hα-helixtrans-65.6-47.5175.3-60.4170000110L123 V172 L214 V218 Q323 L324 E329 A330 L331L123-I327 HydrophobicContact CD2-CD1 3.84Å; V172-I327 HydrophobicContact CB-CD1 4.44Å; V172-I327 HydrophobicContact CB-CG1 4.35Å; V172-I327 HydrophobicContact CG1-CD1 4.3Å; V172-I327 HydrophobicContact CG1-CG1 3.7Å; V172-I327 HydrophobicContact CG2-CD1 3.63Å; V172-I327 HydrophobicContact CG2-CG1 4Å; L214-I327 HydrophobicContact CD1-CG2 4.03Å; L214-I327 HydrophobicContact CD2-CG2 4.17Å; L214-I327 HydrophobicContact CG-CG2 4.1Å; V218-I327 HydrophobicContact CG2-CB 4.25Å; V218-I327 HydrophobicContact CG2-CG2 3.53Å; Q323-I327 PolarHBondContact O-N 2.93Å; L324-I327 PolarHBondContact O-N 3.28Å; I327-E329 PolarHBondContact O-N 3.41Å; I327-A330 PolarHBondContact O-N 2.73Å; I327-L331 HydrophobicContact CG2-CD1 4.09Å; I327-L331 HydrophobicContact CG2-CG 4.36Å; I327-L331 WeakPolarHBondContact O-CB 3.49Å; I327-L331 WeakPolarHBondContact O-CG 3.44Å; I327-L331 PolarHBondContact O-N 3.06Å
328I82.9Confident78Confident0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-56.7-39.1179.2-71.8167.3000110.8V218 W222 L324 L325 K332 E333 S334V218-I328 HydrophobicContact CG1-CD1 3.89Å; V218-I328 HydrophobicContact CG1-CG1 3.25Å; W222-I328 HydrophobicContact CE3-CD1 3.59Å; W222-I328 HydrophobicContact CZ3-CD1 3.84Å; L324-I328 HydrophobicContact CD1-CD1 4.3Å; L324-I328 HydrophobicContact CD2-CD1 4.41Å; L324-I328 HydrophobicContact CG-CD1 3.83Å; L324-I328 HydrophobicContact CG-CG1 4.48Å; L324-I328 VanDerWaalsContact O-CG1 3.32Å; L324-I328 WeakPolarHBondContact O-CG1 3.44Å; L324-I328 PolarHBondContact O-N 2.64Å; L325-I328 HydrophobicContact CD2-CD1 4.28Å; L325-I328 PolarHBondContact O-N 2.95Å; I328-K332 PolarHBondContact O-N 3.29Å; I328-E333 HydrophobicContact CG2-CB 4.14Å; I328-E333 PolarHBondContact O-N 3.35Å; I328-S334 PolarHBondContact O-N 3.32Å
329E81.7Confident77.9Confident39 Ų3930.8 Ų30.818%0.18216%0.159CC..Hα-helixtrans-70.2-44.7176.6-176.6171.4-175.700112.8L325 R326 I327 L331 K332 I470 F477 I480L325-E329 WeakPolarHBondContact O-CB 2.84Å; L325-E329 PolarHBondContact O-N 3.29Å; R326-E329 PolarHBondContact O-N 3.5Å; I327-E329 PolarHBondContact O-N 3.41Å; E329-L331 PolarHBondContact O-N 3.45Å; E329-K332 VanDerWaalsContact O-CA 3.3Å; E329-K332 WeakPolarHBondContact O-CA 3.04Å; E329-K332 PolarHBondContact O-N 3.02Å; E329-I470 VanDerWaalsContact CD-CD1 3.44Å; E329-I470 VanDerWaalsContact OE1-CD1 3.25Å; E329-I470 WeakPolarHBondContact OE1-CD1 3.48Å; E329-I470 WeakPolarHBondContact OE2-CD1 3.49Å; E329-F477 HydrophobicContact CB-CE2 4.49Å; E329-I480 WeakPolarHBondContact OE1-CG2 3.48Å
330A80.4Confident78Confident19 Ų1935 Ų3516%0.15717%0.174CC..Hα-helixtrans-60.3-33174.400000111.9I176 L179 R326 I327 K332I176-A330 HydrophobicContact CD1-CB 4.47Å; I176-A330 HydrophobicContact CG1-CB 3.93Å; I176-A330 HydrophobicContact CG2-CB 4.32Å; L179-A330 HydrophobicContact CD2-CB 4.01Å; R326-A330 WeakPolarHBondContact O-CB 3.24Å; R326-A330 PolarHBondContact O-N 3.29Å; I327-A330 PolarHBondContact O-N 2.73Å; A330-K332 PolarHBondContact O-N 3.48Å
331L81.6Confident78.1Confident6 Ų634.7 Ų34.73%0.03117%0.173CC..THydrogen-bonded Turntrans-73.2-10.9171-72176.4000114L179 K211 L214 V218 I327 E329 E333L179-L331 HydrophobicContact CD2-CD2 4.37Å; K211-L331 HydrophobicContact CD-CD2 4.5Å; K211-L331 HydrophobicContact CG-CD2 3.82Å; L214-L331 HydrophobicContact CD2-CD1 4.5Å; L214-L331 HydrophobicContact CD2-CD2 3.89Å; L214-L331 HydrophobicContact CD2-CG 4.31Å; L214-L331 HydrophobicContact CG-CD1 4.2Å; L214-L331 HydrophobicContact CG-CD2 4.27Å; V218-L331 HydrophobicContact CG2-CD1 4.05Å; I327-L331 HydrophobicContact CG2-CD1 4.09Å; I327-L331 HydrophobicContact CG2-CG 4.36Å; I327-L331 WeakPolarHBondContact O-CB 3.49Å; I327-L331 WeakPolarHBondContact O-CG 3.44Å; I327-L331 PolarHBondContact O-N 3.06Å; E329-L331 PolarHBondContact O-N 3.45Å; L331-E333 VanDerWaalsContact C-N 3.28Å; L331-E333 HydrophobicContact CB-CB 4.48Å; L331-E333 HydrophobicContact CB-CG 4.12Å
332K80.8Confident77.9Confident151 Ų15134.6 Ų34.666%0.65717%0.172SC*.THydrogen-bonded Turntrans64.329-174.5-54173-172.7161.20113.1E183 I328 E329 A330E183-K332 IonicContact OE1-NZ 3.77Å; E183-K332 WeakPolarHBondContact OE2-CE 3.38Å; E183-K332 IonicContact OE2-NZ 3.15Å; E183-K332 PolarHBondContact OE2-NZ 3.44Å; I328-K332 PolarHBondContact O-N 3.29Å; E329-K332 VanDerWaalsContact O-CA 3.3Å; E329-K332 WeakPolarHBondContact O-CA 3.04Å; E329-K332 PolarHBondContact O-N 3.02Å; A330-K332 PolarHBondContact O-N 3.48Å
333E76.1Confident77.6Confident38 Ų3837.4 Ų37.418%0.17819%0.186CC..  trans-103.4-9.1-179.1-67.8-179.7-161.700113.6T215 I328 L331 K335 S336 R337T215-E333 WeakPolarHBondContact CG2-OE1 3.47Å; T215-E333 PolarHBondContact OG1-OE1 2.78Å; I328-E333 HydrophobicContact CG2-CB 4.14Å; I328-E333 PolarHBondContact O-N 3.35Å; L331-E333 VanDerWaalsContact C-N 3.28Å; L331-E333 HydrophobicContact CB-CB 4.48Å; L331-E333 HydrophobicContact CB-CG 4.12Å; E333-K335 PolarHBondContact O-N 3.03Å; E333-S336 PolarHBondContact O-N 3.11Å; E333-S336 PolarHBondContact O-OG 2.88Å; E333-R337 PolarHBondContact O-N 2.83Å; E333-R337 IonicContact OE2-CZ 3.07Å; E333-R337 IonicContact OE2-NE 3.39Å; E333-R337 PolarHBondContact OE2-NE 3.4Å; E333-R337 IonicContact OE2-NH2 3.35Å; E333-R337 PolarHBondContact OE2-NH2 2.76Å
334S74Confident77.2Confident13 Ų1338.9 Ų38.99%0.09119%0.193CC..Hα-helixtrans-54.4-50.7-17353.50000113.4I328 S336 R337 I338I328-S334 PolarHBondContact O-N 3.32Å; S334-S336 VanDerWaalsContact C-N 3.29Å; S334-S336 PolarHBondContact O-N 2.81Å; S334-R337 PolarHBondContact O-N 3.42Å; S334-I338 WeakPolarHBondContact O-CB 3.44Å; S334-I338 VanDerWaalsContact O-CD1 3.28Å; S334-I338 WeakPolarHBondContact O-CD1 3.39Å; S334-I338 VanDerWaalsContact O-CG1 3.3Å; S334-I338 WeakPolarHBondContact O-CG1 3.47Å; S334-I338 PolarHBondContact O-N 3.31Å; S334-I338 VanDerWaalsContact O-N 3.1Å
335K68.8Low77Confident67 Ų6738.8 Ų38.829%0.29119%0.192SC..Hα-helixtrans-53.9-44.8-179.5-173.1175.8-177.8-1790112.4E333 L339 I481 N484 N485E333-K335 PolarHBondContact O-N 3.03Å; K335-L339 WeakPolarHBondContact O-CB 3.35Å; K335-L339 PolarHBondContact O-N 3.2Å; K335-I481 HydrophobicContact CG-CG2 4.4Å; K335-N484 PolarHBondContact NZ-O 3.47Å; K335-N485 VanDerWaalsContact CE-OD1 3.31Å; K335-N485 WeakPolarHBondContact CE-OD1 3.44Å; K335-N485 VanDerWaalsContact NZ-CG 3.35Å; K335-N485 PolarHBondContact NZ-OD1 2.95Å
336S72.2Confident76.9Confident73 Ų7339 Ų3951%0.5119%0.193SC..Hα-helixtrans-68.5-50.4-176.465.50000112.5E333 S334 I338 E340E333-S336 PolarHBondContact O-N 3.11Å; E333-S336 PolarHBondContact O-OG 2.88Å; S334-S336 VanDerWaalsContact C-N 3.29Å; S334-S336 PolarHBondContact O-N 2.81Å; S336-I338 PolarHBondContact O-N 3.13Å; S336-E340 WeakPolarHBondContact O-CB 3.34Å; S336-E340 PolarHBondContact O-N 3.3Å
337R75Confident76.6Confident24 Ų2439.5 Ų39.59%0.09120%0.202CC..Hα-helixtrans-66.6-38.1-175.5-67.3173.4-179.9-84.5-3.3112.6D219 W222 E333 S334 L341D219-R337 VanDerWaalsContact CG-NH2 3.26Å; D219-R337 IonicContact OD1-CZ 2.9Å; D219-R337 IonicContact OD1-NH1 2.78Å; D219-R337 PolarHBondContact OD1-NH1 3.43Å; D219-R337 IonicContact OD1-NH2 3.67Å; D219-R337 PolarHBondContact OD1-NH2 3.34Å; D219-R337 IonicContact OD2-NH2 3.65Å; W222-R337 HydrophobicContact CH2-CB 4.42Å; W222-R337 HydrophobicContact CZ2-CB 4.15Å; E333-R337 PolarHBondContact O-N 2.83Å; E333-R337 IonicContact OE2-CZ 3.07Å; E333-R337 IonicContact OE2-NE 3.39Å; E333-R337 PolarHBondContact OE2-NE 3.4Å; E333-R337 IonicContact OE2-NH2 3.35Å; E333-R337 PolarHBondContact OE2-NH2 2.76Å; S334-R337 PolarHBondContact O-N 3.42Å; R337-L341 WeakPolarHBondContact O-CB 3.46Å; R337-L341 PolarHBondContact O-N 2.95Å
338I73.1Confident76.3Confident5 Ų543.1 Ų43.13%0.02622%0.216CC..Hα-helixtrans-77.6-40.8-176.8-65.9161.4000110.9W222 L325 S334 S336 E340 L341 A342 F465 F477 I481 M495W222-I338 HydrophobicContact CH2-CG1 4.23Å; L325-I338 HydrophobicContact CD2-CD1 4.18Å; S334-I338 WeakPolarHBondContact O-CB 3.44Å; S334-I338 VanDerWaalsContact O-CD1 3.28Å; S334-I338 WeakPolarHBondContact O-CD1 3.39Å; S334-I338 VanDerWaalsContact O-CG1 3.3Å; S334-I338 WeakPolarHBondContact O-CG1 3.47Å; S334-I338 PolarHBondContact O-N 3.31Å; S334-I338 VanDerWaalsContact O-N 3.1Å; S336-I338 PolarHBondContact O-N 3.13Å; I338-E340 VanDerWaalsContact C-N 3.26Å; I338-E340 PolarHBondContact O-N 3.42Å; I338-L341 PolarHBondContact O-N 3.12Å; I338-A342 VanDerWaalsContact O-CB 3.29Å; I338-A342 WeakPolarHBondContact O-CB 3.39Å; I338-A342 PolarHBondContact O-N 3Å; I338-F465 HydrophobicContact CG2-CD1 4.38Å; I338-F465 HydrophobicContact CG2-CE1 3.99Å; I338-F477 HydrophobicContact CD1-CD1 4.14Å; I338-F477 HydrophobicContact CD1-CE1 3.03Å; I338-F477 HydrophobicContact CD1-CZ 3.25Å; I338-F477 HydrophobicContact CG1-CE1 4.3Å; I338-I481 HydrophobicContact CB-CD1 4.25Å; I338-I481 HydrophobicContact CD1-CD1 3.42Å; I338-I481 VanDerWaalsContact CD1-CD1 3.42Å; I338-I481 HydrophobicContact CG1-CD1 4.47Å; I338-I481 HydrophobicContact CG2-CD1 3.98Å; I338-M495 HydrophobicContact CG2-CE 3.98Å; I338-M495 HydrophobicContact CG2-SD 3.53Å; I338-M495 VanDerWaalsContact CG2-SD 3.53Å
339L69.9Low76.2Confident74 Ų7443.1 Ų43.139%0.38722%0.216SC..Hα-helixtrans-61.6-39.9173.8-171.969000110.5K335 A342 N343 M495K335-L339 WeakPolarHBondContact O-CB 3.35Å; K335-L339 PolarHBondContact O-N 3.2Å; L339-A342 WeakPolarHBondContact O-CB 3.19Å; L339-A342 PolarHBondContact O-N 3.42Å; L339-N343 WeakPolarHBondContact O-CB 3.47Å; L339-N343 PolarHBondContact O-N 3.18Å; L339-N343 PolarHBondContact O-ND2 3.27Å; L339-M495 HydrophobicContact CD1-CG 4.39Å
340E75.5Confident76.1Confident104 Ų10441.3 Ų41.349%0.48621%0.208SC..Hα-helixtrans-60.6-49.7173.1-174.5179.6-179.600111.8S336 I338 A342 N343 Q344S336-E340 WeakPolarHBondContact O-CB 3.34Å; S336-E340 PolarHBondContact O-N 3.3Å; I338-E340 VanDerWaalsContact C-N 3.26Å; I338-E340 PolarHBondContact O-N 3.42Å; E340-A342 VanDerWaalsContact C-N 3.34Å; E340-A342 PolarHBondContact O-N 3.26Å; E340-N343 PolarHBondContact O-N 2.94Å; E340-Q344 VanDerWaalsContact O-CG 3.27Å; E340-Q344 WeakPolarHBondContact O-CG 3.45Å; E340-Q344 PolarHBondContact O-N 3.32Å; E340-Q344 PolarHBondContact OE1-NE2 3.49Å
341L79.7Confident75.9Confident8 Ų843.8 Ų43.84%0.04222%0.215CC..Hα-helixtrans-60.6-42.7176.8179.864.6000112.1W222 I226 L312 R337 I338 Q344 I345 L464W222-L341 HydrophobicContact CH2-CD2 4.19Å; W222-L341 HydrophobicContact CZ2-CB 4.2Å; W222-L341 HydrophobicContact CZ2-CD2 3.97Å; I226-L341 HydrophobicContact CD1-CD2 4.21Å; I226-L341 HydrophobicContact CG2-CD1 3.75Å; I226-L341 HydrophobicContact CG2-CD2 3.99Å; L312-L341 HydrophobicContact CD1-CD1 4.32Å; R337-L341 WeakPolarHBondContact O-CB 3.46Å; R337-L341 PolarHBondContact O-N 2.95Å; I338-L341 PolarHBondContact O-N 3.12Å; L341-Q344 PolarHBondContact O-N 2.65Å; L341-I345 HydrophobicContact CD1-CD1 4.2Å; L341-I345 HydrophobicContact CD1-CG1 4.35Å; L341-I345 HydrophobicContact CG-CD1 3.92Å; L341-I345 HydrophobicContact CG-CG1 4.46Å; L341-I345 VanDerWaalsContact O-CG1 3.27Å; L341-I345 WeakPolarHBondContact O-CG1 3.38Å; L341-I345 PolarHBondContact O-N 3.18Å; L341-L464 HydrophobicContact CD2-CD1 4.19Å
342A74.1Confident75.4Confident0 Ų045.1 Ų45.10%022%0.224CC..Hα-helixtrans-57.6-50.617600000111.5I338 L339 E340 Q344 I345 W346 M495 F496I338-A342 VanDerWaalsContact O-CB 3.29Å; I338-A342 WeakPolarHBondContact O-CB 3.39Å; I338-A342 PolarHBondContact O-N 3Å; L339-A342 WeakPolarHBondContact O-CB 3.19Å; L339-A342 PolarHBondContact O-N 3.42Å; E340-A342 VanDerWaalsContact C-N 3.34Å; E340-A342 PolarHBondContact O-N 3.26Å; A342-Q344 PolarHBondContact O-N 3.29Å; A342-I345 PolarHBondContact O-N 3.47Å; A342-W346 WeakPolarHBondContact O-CB 3.15Å; A342-W346 PolarHBondContact O-N 3.04Å; A342-M495 HydrophobicContact CB-CB 3.91Å; A342-M495 HydrophobicContact CB-CE 3.25Å; A342-M495 HydrophobicContact CB-CG 3.49Å; A342-M495 VanDerWaalsContact CB-CG 3.49Å; A342-M495 HydrophobicContact CB-SD 3.91Å; A342-F496 HydrophobicContact CB-CE2 4.28Å; A342-F496 HydrophobicContact CB-CZ 4.31Å
343N72.5Confident75.3Confident77 Ų7738 Ų3841%0.41219%0.193SC..Hα-helixtrans-61.9-35.5178.9-74.4-15.9000111.3L339 E340 T347L339-N343 WeakPolarHBondContact O-CB 3.47Å; L339-N343 PolarHBondContact O-N 3.18Å; L339-N343 PolarHBondContact O-ND2 3.27Å; E340-N343 PolarHBondContact O-N 2.94Å; N343-T347 WeakPolarHBondContact O-CB 3.36Å; N343-T347 PolarHBondContact O-N 3.46Å; N343-T347 PolarHBondContact O-OG1 3.07Å
344Q75Confident75.1Confident52 Ų5236.4 Ų36.424%0.24319%0.186CC..Hα-helixtrans-69.8-46.9174.8-70.9175.6700111.9L228 E340 L341 A342 W346 T347 Y348L228-Q344 HydrophobicContact CD2-CB 3.78Å; E340-Q344 VanDerWaalsContact O-CG 3.27Å; E340-Q344 WeakPolarHBondContact O-CG 3.45Å; E340-Q344 PolarHBondContact O-N 3.32Å; E340-Q344 PolarHBondContact OE1-NE2 3.49Å; L341-Q344 PolarHBondContact O-N 2.65Å; A342-Q344 PolarHBondContact O-N 3.29Å; Q344-W346 VanDerWaalsContact C-N 3.26Å; Q344-W346 PolarHBondContact O-N 3.49Å; Q344-T347 PolarHBondContact O-N 3.39Å; Q344-Y348 HydrophobicContact CB-CD2 4.13Å; Q344-Y348 HydrophobicContact CB-CE2 4.34Å; Q344-Y348 HydrophobicContact CG-CE2 4.31Å; Q344-Y348 WeakPolarHBondContact O-CB 3.48Å; Q344-Y348 WeakPolarHBondContact O-CD2 3.3Å; Q344-Y348 PolarHBondContact O-N 3.5Å
345I79.5Confident74.7Confident0 Ų040.8 Ų40.80%020%0.203CC..Hα-helixtrans-58.4-43.5175.1-66.6167.8000109.9L312 L341 A342 I349 F350 F496L312-I345 HydrophobicContact CD2-CD1 3.71Å; L312-I345 HydrophobicContact CD2-CG1 4.05Å; L341-I345 HydrophobicContact CD1-CD1 4.2Å; L341-I345 HydrophobicContact CD1-CG1 4.35Å; L341-I345 HydrophobicContact CG-CD1 3.92Å; L341-I345 HydrophobicContact CG-CG1 4.46Å; L341-I345 VanDerWaalsContact O-CG1 3.27Å; L341-I345 WeakPolarHBondContact O-CG1 3.38Å; L341-I345 PolarHBondContact O-N 3.18Å; A342-I345 PolarHBondContact O-N 3.47Å; I345-I349 HydrophobicContact CG2-CD1 4.44Å; I345-I349 WeakPolarHBondContact O-CA 3.47Å; I345-I349 VanDerWaalsContact O-CB 3.27Å; I345-I349 WeakPolarHBondContact O-CB 3.25Å; I345-I349 PolarHBondContact O-N 2.91Å; I345-F350 HydrophobicContact CG2-CD2 3.72Å; I345-F350 HydrophobicContact CG2-CE2 3.5Å; I345-F350 PolarHBondContact O-N 2.71Å; I345-F496 HydrophobicContact CB-CZ 4.38Å; I345-F496 HydrophobicContact CG2-CZ 4.24Å
346W77.6Confident73.9Confident12 Ų1244.2 Ų44.25%0.04522%0.218CC..Iπ-helixtrans-57.5-55.1173.3-178.6-123.1000111.6A342 Q344 Y348 F350 K351 L354 F496 E499 L500 D503A342-W346 WeakPolarHBondContact O-CB 3.15Å; A342-W346 PolarHBondContact O-N 3.04Å; Q344-W346 VanDerWaalsContact C-N 3.26Å; Q344-W346 PolarHBondContact O-N 3.49Å; W346-Y348 PolarHBondContact O-N 3.46Å; W346-F350 HydrophobicContact CD2-CB 4.43Å; W346-F350 HydrophobicContact CE3-CB 3.42Å; W346-F350 VanDerWaalsContact CE3-CB 3.42Å; W346-F350 HydrophobicContact CE3-CD2 4.32Å; W346-F350 HydrophobicContact CE3-CG 4.16Å; W346-F350 HydrophobicContact CZ3-CB 3.56Å; W346-F350 HydrophobicContact CZ3-CG 4.36Å; W346-F350 PolarHBondContact O-N 2.97Å; W346-K351 WeakPolarHBondContact O-CB 2.82Å; W346-K351 PolarHBondContact O-N 2.7Å; W346-L354 HydrophobicContact CH2-CD1 3.26Å; W346-L354 HydrophobicContact CZ2-CD1 4.38Å; W346-L354 HydrophobicContact CZ3-CD1 3.49Å; W346-L354 VanDerWaalsContact CZ3-CD1 3.49Å; W346-F496 HydrophobicContact CB-CE1 3.91Å; W346-F496 AromaticContact CE3-CD1 3.93Å; W346-F496 HydrophobicContact CE3-CD1 3.93Å; W346-F496 HydrophobicContact CE3-CE1 4.02Å; W346-E499 HydrophobicContact CZ2-CB 4.43Å; W346-E499 HydrophobicContact CZ2-CG 4.23Å; W346-E499 PolarHBondContact NE1-OE2 3.37Å; W346-L500 HydrophobicContact CE3-CD1 4.48Å; W346-L500 VanDerWaalsContact CH2-CA 3.43Å; W346-L500 HydrophobicContact CH2-CB 3.9Å; W346-L500 HydrophobicContact CH2-CD1 3.86Å; W346-L500 HydrophobicContact CH2-CG 4.48Å; W346-L500 HydrophobicContact CZ3-CB 3.84Å; W346-L500 HydrophobicContact CZ3-CD1 3.4Å; W346-L500 HydrophobicContact CZ3-CG 4.19Å; W346-D503 HydrophobicContact CH2-CB 4.1Å; W346-D503 HydrophobicContact CZ2-CB 4.32Å; W346-D503 VanDerWaalsContact CZ2-OD2 3.27Å; W346-D503 WeakPolarHBondContact CZ2-OD2 3.46Å
347T75.2Confident72.6Confident66 Ų6644 Ų4441%0.40521%0.21SC..Iπ-helixtrans-66.1-39.6-173.2-60.90000113.1N343 Q344 P352N343-T347 WeakPolarHBondContact O-CB 3.36Å; N343-T347 PolarHBondContact O-N 3.46Å; N343-T347 PolarHBondContact O-OG1 3.07Å; Q344-T347 PolarHBondContact O-N 3.39Å; T347-P352 VanDerWaalsContact O-CD 3.26Å; T347-P352 WeakPolarHBondContact O-CD 3.43Å
348Y77.9Confident70.6Confident78 Ų7848.1 Ų48.131%0.30624%0.24SC..Iπ-helixtrans-100.5-20.5-171.4-63.9-66.8000114.3L228 V230 A310 Q344 W346L228-Y348 HydrophobicContact CD2-CD2 3.73Å; L228-Y348 HydrophobicContact CD2-CE2 4.4Å; L228-Y348 HydrophobicContact CD2-CG 4.45Å; V230-Y348 HydrophobicContact CG1-CD1 4.2Å; V230-Y348 HydrophobicContact CG2-CD1 3.88Å; V230-Y348 HydrophobicContact CG2-CD2 4.35Å; V230-Y348 HydrophobicContact CG2-CE1 4.35Å; V230-Y348 HydrophobicContact CG2-CG 3.88Å; A310-Y348 WeakPolarHBondContact CB-O 3.44Å; Q344-Y348 HydrophobicContact CB-CD2 4.13Å; Q344-Y348 HydrophobicContact CB-CE2 4.34Å; Q344-Y348 HydrophobicContact CG-CE2 4.31Å; Q344-Y348 WeakPolarHBondContact O-CB 3.48Å; Q344-Y348 WeakPolarHBondContact O-CD2 3.3Å; Q344-Y348 PolarHBondContact O-N 3.5Å; W346-Y348 PolarHBondContact O-N 3.46Å
349I79Confident68.8Low0 Ų049.2 Ų49.20%025%0.248CC..Iπ-helixtrans-115.7-62.3-177.5-58.4178.7000110.9L228 A310 L312 I345 P352 W353 L370 L410 L412L228-I349 HydrophobicContact CD1-CD1 4.18Å; A310-I349 HydrophobicContact CB-CG1 4Å; L312-I349 HydrophobicContact CB-CD1 4.09Å; I345-I349 HydrophobicContact CG2-CD1 4.44Å; I345-I349 WeakPolarHBondContact O-CA 3.47Å; I345-I349 VanDerWaalsContact O-CB 3.27Å; I345-I349 WeakPolarHBondContact O-CB 3.25Å; I345-I349 PolarHBondContact O-N 2.91Å; I349-P352 WeakPolarHBondContact O-CD 2.98Å; I349-W353 VanDerWaalsContact O-CB 3.32Å; I349-W353 WeakPolarHBondContact O-CB 3.48Å; I349-W353 PolarHBondContact O-N 2.96Å; I349-L370 HydrophobicContact CG2-CD2 3.53Å; I349-L410 HydrophobicContact CD1-CD2 3.89Å; I349-L410 HydrophobicContact CD1-CG 4.22Å; I349-L410 HydrophobicContact CG2-CD2 4.32Å; I349-L412 HydrophobicContact CG2-CB 4.43Å
350F80.2Confident66.9Low0 Ų050.5 Ų50.50%026%0.258CS..Iπ-helixtrans-74.5-45.8-171.8-71.3-71.1000113.5I345 W346 W353 L354 L370 L453 V456 F457 L460 F496I345-F350 HydrophobicContact CG2-CD2 3.72Å; I345-F350 HydrophobicContact CG2-CE2 3.5Å; I345-F350 PolarHBondContact O-N 2.71Å; W346-F350 HydrophobicContact CD2-CB 4.43Å; W346-F350 HydrophobicContact CE3-CB 3.42Å; W346-F350 VanDerWaalsContact CE3-CB 3.42Å; W346-F350 HydrophobicContact CE3-CD2 4.32Å; W346-F350 HydrophobicContact CE3-CG 4.16Å; W346-F350 HydrophobicContact CZ3-CB 3.56Å; W346-F350 HydrophobicContact CZ3-CG 4.36Å; W346-F350 PolarHBondContact O-N 2.97Å; F350-W353 CarbonylContact O-C 3.52Å; F350-W353 WeakPolarHBondContact O-CB 3.3Å; F350-W353 PolarHBondContact O-N 3.08Å; F350-L354 WeakPolarHBondContact O-CB 3.27Å; F350-L354 VanDerWaalsContact O-CG 3.26Å; F350-L354 WeakPolarHBondContact O-CG 3.22Å; F350-L354 PolarHBondContact O-N 3.28Å; F350-L370 HydrophobicContact CD1-CD1 4.32Å; F350-L370 HydrophobicContact CE1-CD1 4.27Å; F350-L453 HydrophobicContact CD1-CD2 4.11Å; F350-L453 HydrophobicContact CE1-CD2 3.83Å; F350-V456 HydrophobicContact CE1-CG1 4.01Å; F350-V456 HydrophobicContact CZ-CG1 3.56Å; F350-F457 HydrophobicContact CE1-CE1 4.07Å; F350-F457 HydrophobicContact CZ-CD1 4.4Å; F350-F457 AromaticContact CZ-CE1 3.77Å; F350-F457 HydrophobicContact CZ-CE1 3.77Å; F350-L460 HydrophobicContact CE2-CD1 4.29Å; F350-L460 HydrophobicContact CZ-CD1 4.21Å; F350-F496 HydrophobicContact CD2-CD1 4.46Å; F350-F496 AromaticContact CD2-CE1 3.8Å; F350-F496 HydrophobicContact CD2-CE1 3.8Å; F350-F496 HydrophobicContact CD2-CZ 4.4Å; F350-F496 AromaticContact CE2-CE1 3.95Å; F350-F496 HydrophobicContact CE2-CE1 3.95Å; F350-F496 HydrophobicContact CE2-CZ 4.2Å
351K75.9Confident64.6Low71 Ų7151.3 Ų51.331%0.30928%0.276SS..Hα-helixtrans-60.6-43.3-179.7-176174.9-171.2168.90112W346 L354 K355W346-K351 WeakPolarHBondContact O-CB 2.82Å; W346-K351 PolarHBondContact O-N 2.7Å; K351-L354 PolarHBondContact O-N 2.89Å; K351-K355 WeakPolarHBondContact O-CB 3.36Å; K351-K355 VanDerWaalsContact O-CG 3.32Å; K351-K355 WeakPolarHBondContact O-CG 3.25Å; K351-K355 PolarHBondContact O-N 3.35Å
352P72Confident62.3Low34 Ų3452.8 Ų52.822%0.22129%0.293CS..Hα-helixtrans-62.6-42.1170-25.136.9000112.4T347 I349 L354 I357 L412T347-P352 VanDerWaalsContact O-CD 3.26Å; T347-P352 WeakPolarHBondContact O-CD 3.43Å; I349-P352 WeakPolarHBondContact O-CD 2.98Å; P352-L354 VanDerWaalsContact C-N 3.34Å; P352-L354 PolarHBondContact O-N 3.3Å; P352-I357 HydrophobicContact CB-CD1 4.1Å; P352-I357 WeakPolarHBondContact O-CD1 3.36Å; P352-I357 VanDerWaalsContact O-CG1 3.28Å; P352-I357 WeakPolarHBondContact O-CG1 3.21Å; P352-L412 HydrophobicContact CB-CD2 3.95Å
353W78.1Confident60.5Low3 Ų359.4 Ų59.41%0.01134%0.336CS..Hα-helixtrans-64.4-35.1178.8-179.277.8000114.1I349 F350 G368 L370 L412 Q452 L453 R508I349-W353 VanDerWaalsContact O-CB 3.32Å; I349-W353 WeakPolarHBondContact O-CB 3.48Å; I349-W353 PolarHBondContact O-N 2.96Å; F350-W353 CarbonylContact O-C 3.52Å; F350-W353 WeakPolarHBondContact O-CB 3.3Å; F350-W353 PolarHBondContact O-N 3.08Å; W353-G368 PolarHBondContact NE1-O 3.2Å; W353-G368 VanDerWaalsContact NE1-O 3.16Å; W353-L370 HydrophobicContact CB-CD1 4.4Å; W353-L370 HydrophobicContact CB-CD2 4.46Å; W353-L370 HydrophobicContact CB-CG 4.37Å; W353-L370 HydrophobicContact CD2-CD1 3.37Å; W353-L370 HydrophobicContact CD2-CG 3.92Å; W353-L370 HydrophobicContact CE3-CD1 3.78Å; W353-L370 HydrophobicContact CG-CD1 3.66Å; W353-L370 HydrophobicContact CG-CD2 4.28Å; W353-L370 HydrophobicContact CG-CG 3.68Å; W353-L370 HydrophobicContact CH2-CD1 4.41Å; W353-L370 HydrophobicContact CZ2-CD1 4.05Å; W353-L370 HydrophobicContact CZ3-CD1 4.29Å; W353-L412 HydrophobicContact CB-CD1 3.91Å; W353-L412 HydrophobicContact CG-CD1 4.21Å; W353-Q452 HydrophobicContact CZ2-CB 4.42Å; W353-L453 HydrophobicContact CE3-CD2 4.37Å; W353-L453 HydrophobicContact CH2-CD1 3.96Å; W353-L453 HydrophobicContact CH2-CD2 4.09Å; W353-L453 HydrophobicContact CH2-CG 3.71Å; W353-L453 HydrophobicContact CZ3-CD1 3.92Å; W353-L453 HydrophobicContact CZ3-CD2 3.68Å; W353-L453 HydrophobicContact CZ3-CG 3.78Å; W353-R508 PolarHBondContact O-NE 2.81Å; W353-R508 VanDerWaalsContact O-NE 3.15Å; W353-R508 PolarHBondContact O-NH2 2.84Å
354L71.9Confident58.9Low4 Ų461.6 Ų61.62%0.02135%0.348CS..Hα-helixtrans-79.9-36.6179.9-71.6168.2000113.7W346 F350 K351 P352 K356 L500 D503 L504W346-L354 HydrophobicContact CH2-CD1 3.26Å; W346-L354 HydrophobicContact CZ2-CD1 4.38Å; W346-L354 HydrophobicContact CZ3-CD1 3.49Å; W346-L354 VanDerWaalsContact CZ3-CD1 3.49Å; F350-L354 WeakPolarHBondContact O-CB 3.27Å; F350-L354 VanDerWaalsContact O-CG 3.26Å; F350-L354 WeakPolarHBondContact O-CG 3.22Å; F350-L354 PolarHBondContact O-N 3.28Å; K351-L354 PolarHBondContact O-N 2.89Å; P352-L354 VanDerWaalsContact C-N 3.34Å; P352-L354 PolarHBondContact O-N 3.3Å; L354-K356 PolarHBondContact O-N 2.95Å; L354-L500 HydrophobicContact CD1-CD1 3.83Å; L354-D503 HydrophobicContact CD1-CB 3.94Å; L354-L504 HydrophobicContact CD2-CD2 3.54Å; L354-L504 HydrophobicContact CD2-CG 3.86Å
355K65.5Low57.4Low105 Ų10562.2 Ų62.246%0.45736%0.355SS..SBendtrans-56142.4173.6-80.8179.6176.6-174.10108.6K351 I357K351-K355 WeakPolarHBondContact O-CB 3.36Å; K351-K355 VanDerWaalsContact O-CG 3.32Å; K351-K355 WeakPolarHBondContact O-CG 3.25Å; K351-K355 PolarHBondContact O-N 3.35Å; K355-I357 HydrophobicContact CB-CG1 4.21Å; K355-I357 PolarHBondContact O-N 3.5Å
356K53.1Low56.2Low139 Ų13963.1 Ų63.160%0.60437%0.365SS*.  trans-64.950.6174.6-64.5-173.8179.3-172.70111.3L354 P358 V511L354-K356 PolarHBondContact O-N 2.95Å; K356-P358 WeakPolarHBondContact O-CD 3.49Å; K356-V511 HydrophobicContact CD-CG2 4.11Å; K356-V511 HydrophobicContact CG-CG2 4.16Å
357I43.2Very low55.4Low67 Ų6765.8 Ų65.834%0.34438%0.375SS..  trans-54.5107.8-171.3-58.9-178.2000106.6P352 K355 C359P352-I357 HydrophobicContact CB-CD1 4.1Å; P352-I357 WeakPolarHBondContact O-CD1 3.36Å; P352-I357 VanDerWaalsContact O-CG1 3.28Å; P352-I357 WeakPolarHBondContact O-CG1 3.21Å; K355-I357 HydrophobicContact CB-CG1 4.21Å; K355-I357 PolarHBondContact O-N 3.5Å; I357-C359 HydrophobicContact CG2-CB 4.37Å; I357-C359 WeakPolarHBondContact CG2-SG 3.39Å; I357-C359 PolarHBondContact O-N 3.41Å
358P33.5Very low55Low111 Ų11163.2 Ų63.272%0.72136%0.361SS*.  trans-77.681.9168.614.24.5000102.9K356 V360K356-P358 WeakPolarHBondContact O-CD 3.49Å; P358-V360 PolarHBondContact O-N 3.47Å
359C35Very low54.7Low28 Ų2865 Ų6519%0.18937%0.37CS..SBendtrans-71.879.7161.8-78.60000105.7I357 V365 P415I357-C359 HydrophobicContact CG2-CB 4.37Å; I357-C359 WeakPolarHBondContact CG2-SG 3.39Å; I357-C359 PolarHBondContact O-N 3.41Å; C359-V365 WeakPolarHBondContact O-CG1 3.46Å; C359-P415 HydrophobicContact CB-CB 4.5Å; C359-P415 HydrophobicContact CB-CG 3.61Å
360V30.4Very low54.5Low101 Ų10165.5 Ų65.561%0.61237%0.373SS*.SBendtrans74124.7171.8-134.10000115.5P358 G362 V365P358-V360 PolarHBondContact O-N 3.47Å; V360-G362 PolarHBondContact O-N 3.04Å; V360-V365 WeakPolarHBondContact O-CG2 3.34Å
361S28Very low54.4Low121 Ų12169.8 Ų69.885%0.84639%0.392SS*.SBendtrans-65115.5176.638.20000112.7
362G31.7Very low54.4Low40 Ų4068 Ų6841%0.41239%0.388SS..SBendtrans172.9158.3169.500000110V360 D364 V365V360-G362 PolarHBondContact O-N 3.04Å; G362-D364 PolarHBondContact O-N 3.21Å; G362-V365 WeakPolarHBondContact O-CG2 3.4Å; G362-V365 PolarHBondContact O-N 2.76Å
363P35.7Very low54.6Low139 Ų13970 Ų7090%0.90339%0.394SS*.THydrogen-bonded Turntrans-61.3-14.2-176.9-2032.5000114.4
364D38.5Very low54Low122 Ų12273.6 Ų73.665%0.65241%0.413SS*.THydrogen-bonded Turntrans-101.638.7-178.8-55.8-39.8000113.3G362 G366G362-D364 PolarHBondContact O-N 3.21Å; D364-G366 PolarHBondContact O-N 3.46Å
365V43.6Very low53.6Low65 Ų6575.3 Ų75.339%0.39442%0.422SS..  trans-74.292.8-179-165.10000110.5C359 V360 G362C359-V365 WeakPolarHBondContact O-CG1 3.46Å; V360-V365 WeakPolarHBondContact O-CG2 3.34Å; G362-V365 WeakPolarHBondContact O-CG2 3.4Å; G362-V365 PolarHBondContact O-N 2.76Å
366G53.2Low52.9Low20 Ų2075.2 Ų75.221%0.20642%0.423CS..  trans-53.8154.4161.700000111D364 P415D364-G366 PolarHBondContact O-N 3.46Å; G366-P415 WeakPolarHBondContact O-CB 3.42Å; G366-P415 WeakPolarHBondContact O-CG 3.22Å
367W61.6Low52.5Low67 Ų6773.2 Ų73.225%0.25442%0.416SS..  trans-119156.7179.751.5-89.6000111.4K369 T448W367-K369 HydrophobicContact CE3-CG 4.13Å; W367-K369 HydrophobicContact CH2-CG 3.93Å; W367-K369 HydrophobicContact CZ3-CB 4.41Å; W367-K369 HydrophobicContact CZ3-CG 3.7Å; W367-T448 HydrophobicContact CH2-CG2 3.6Å; W367-T448 HydrophobicContact CZ2-CG2 3.9Å
368G66.6Low52.2Low12 Ų1272.9 Ų72.912%0.12442%0.42CS..PPolyproline II helixtrans-71128.5-177.400000112.5W353 N413W353-G368 PolarHBondContact NE1-O 3.2Å; W353-G368 VanDerWaalsContact NE1-O 3.16Å; G368-N413 CarbonylContact C-O 3.6Å; G368-N413 WeakPolarHBondContact CA-O 3.44Å
369K72.4Confident52.2Low115 Ų11573.7 Ų73.750%0.542%0.416SS..EExtended strand (participates in β ladder)trans-96.8130.2-177.4-66.8-176.2178.2-179.30110.9W367 N413W367-K369 HydrophobicContact CE3-CG 4.13Å; W367-K369 HydrophobicContact CH2-CG 3.93Å; W367-K369 HydrophobicContact CZ3-CB 4.41Å; W367-K369 HydrophobicContact CZ3-CG 3.7Å; K369-N413 PolarHBondContact N-O 2.95Å; K369-N413 PolarHBondContact O-N 3.42Å
370L74.7Confident52Low12 Ų1278.2 Ų78.26%0.06344%0.439CS..EExtended strand (participates in β ladder)trans-78.6123165.7-75.5168.7000108.8I349 F350 W353 L412 Q452 L453 V456I349-L370 HydrophobicContact CG2-CD2 3.53Å; F350-L370 HydrophobicContact CD1-CD1 4.32Å; F350-L370 HydrophobicContact CE1-CD1 4.27Å; W353-L370 HydrophobicContact CB-CD1 4.4Å; W353-L370 HydrophobicContact CB-CD2 4.46Å; W353-L370 HydrophobicContact CB-CG 4.37Å; W353-L370 HydrophobicContact CD2-CD1 3.37Å; W353-L370 HydrophobicContact CD2-CG 3.92Å; W353-L370 HydrophobicContact CE3-CD1 3.78Å; W353-L370 HydrophobicContact CG-CD1 3.66Å; W353-L370 HydrophobicContact CG-CD2 4.28Å; W353-L370 HydrophobicContact CG-CG 3.68Å; W353-L370 HydrophobicContact CH2-CD1 4.41Å; W353-L370 HydrophobicContact CZ2-CD1 4.05Å; W353-L370 HydrophobicContact CZ3-CD1 4.29Å; L370-L412 HydrophobicContact CD2-CD1 4.07Å; L370-L412 HydrophobicContact CG-CD1 4.47Å; L370-Q452 HydrophobicContact CB-CB 4.38Å; L370-L453 HydrophobicContact CD1-CD2 4.49Å; L370-V456 HydrophobicContact CB-CG2 4.26Å
371K77.7Confident52Low90 Ų9079.4 Ų79.439%0.39144%0.44SS..EExtended strand (participates in β ladder)trans-125.7120.6177.6-163.7-169-168.5-163.30109.6Q373 T411K371-Q373 HydrophobicContact CD-CG 4.09Å; K371-Q373 HydrophobicContact CG-CG 4.01Å; K371-T411 PolarHBondContact N-O 2.95Å; K371-T411 PolarHBondContact O-N 3.47Å; K371-T411 PolarHBondContact O-OG1 3.27Å
372C76.4Confident51.9Low33 Ų3381.9 Ų81.922%0.22344%0.439CS..EExtended strand (participates in β ladder)trans-108.5126.5173.4-164.50000108.7L410 V456 E459C372-L410 HydrophobicContact CB-CD1 4.17Å; C372-V456 HydrophobicContact CB-CG2 4.33Å; C372-E459 VanDerWaalsContact SG-CB 3.57Å
373Q75.7Confident51.7Low76 Ų7684.1 Ų84.136%0.35545%0.448SS..EExtended strand (participates in β ladder)trans-136.6144179.7-56.5-167.5-81.300111K371 I375 R409K371-Q373 HydrophobicContact CD-CG 4.09Å; K371-Q373 HydrophobicContact CG-CG 4.01Å; Q373-I375 HydrophobicContact CB-CG1 4.5Å; Q373-R409 PolarHBondContact N-O 2.99Å; Q373-R409 PolarHBondContact O-N 2.96Å
374I65.3Low51.3Low79 Ų7985 Ų8541%0.40545%0.445SS..EExtended strand (participates in β ladder)trans-95120.2165.3-58.5169.4000106.1R406 L408 Y463I374-R406 HydrophobicContact CG2-CB 4.46Å; I374-L408 HydrophobicContact CG1-CD1 4.48Å; I374-Y463 HydrophobicContact CD1-CE2 4.25Å; I374-Y463 WeakPolarHBondContact CD1-OH 3.34Å; I374-Y463 HydrophobicContact CG1-CE2 4.31Å
375I63.5Low50.8Low39 Ų3986.8 Ų86.820%0.245%0.449CS..EExtended strand (participates in β ladder)trans-104.3130.3179.1-57.1173.4000108.2Q373 Q377 Y407 R409Q373-I375 HydrophobicContact CB-CG1 4.5Å; I375-Q377 HydrophobicContact CG2-CB 4.36Å; I375-Y407 HydrophobicContact CB-CD2 4.23Å; I375-Y407 HydrophobicContact CB-CE1 4.33Å; I375-Y407 HydrophobicContact CB-CE2 3.66Å; I375-Y407 HydrophobicContact CD1-CE2 3.97Å; I375-Y407 HydrophobicContact CG1-CE2 4.29Å; I375-Y407 HydrophobicContact CG2-CE1 4.26Å; I375-Y407 HydrophobicContact CG2-CE2 4.09Å; I375-Y407 VanDerWaalsContact CG2-OH 3.24Å; I375-Y407 WeakPolarHBondContact CG2-OH 3.28Å; I375-Y407 PolarHBondContact N-O 3.32Å; I375-Y407 PolarHBondContact O-N 3.14Å; I375-Y407 VanDerWaalsContact O-N 3.13Å; I375-R409 HydrophobicContact CD1-CB 3.91Å; I375-R409 HydrophobicContact CD1-CG 4.36Å; I375-R409 HydrophobicContact CG1-CB 4.48Å
376E52.1Low49.9Very low104 Ų10492.2 Ų92.249%0.48647%0.47SS..EExtended strand (participates in β ladder)trans-101.2102.9169.7-70.3-174.316700106.6L404 R406E376-L404 HydrophobicContact CB-CD2 3.75Å; E376-R406 HydrophobicContact CG-CG 3.85Å; E376-R406 IonicContact OE1-CZ 3.51Å; E376-R406 VanDerWaalsContact OE1-CZ 3.23Å; E376-R406 IonicContact OE1-NE 3.09Å; E376-R406 PolarHBondContact OE1-NE 3.39Å; E376-R406 IonicContact OE1-NH2 2.77Å; E376-R406 PolarHBondContact OE1-NH2 3.4Å
377Q44.6Very low48.6Very low96 Ų9699 Ų9945%0.44950%0.501SS..EExtended strand (participates in β ladder)trans-111.7127.4179.2-138.7177.628.300109.4I375 Y407I375-Q377 HydrophobicContact CG2-CB 4.36Å; Q377-Y407 HydrophobicContact CB-CE1 3.61Å; Q377-Y407 WeakPolarHBondContact CB-OH 3.28Å; Q377-Y407 PolarHBondContact OE1-OH 3.18Å
378S36.2Very low46.9Very low61 Ų61105.1 Ų105.143%0.42753%0.529SS..  trans-70.1134.9153.748.70000106.9N380S378-N380 PolarHBondContact O-N 2.89Å
379I34.3Very low44.9Very low127 Ų127111.3 Ų111.365%0.65156%0.558SS**SBendtrans-68.687.3176.3-60.9162.6000107.5I381I379-I381 HydrophobicContact CG2-CD1 4.39Å; I379-I381 HydrophobicContact CG2-CG1 4.29Å
380N30.9Very low42.6Very low124 Ų124115.7 Ų115.766%0.66358%0.577SS**  trans-131.291.1156.7-123.81.3000104S378 E382S378-N380 PolarHBondContact O-N 2.89Å; N380-E382 PolarHBondContact O-N 3.16Å
381I29.4Very low40.3Very low125 Ų125124 Ų12464%0.64162%0.616SS**  trans-71.780.1-176.9-57.8168.2000107.2I379 S383I379-I381 HydrophobicContact CG2-CD1 4.39Å; I379-I381 HydrophobicContact CG2-CG1 4.29Å; I381-S383 PolarHBondContact O-N 2.91Å
382E26.3Very low37.9Very low174 Ų174126.1 Ų126.181%0.81363%0.63SS**  trans-85.785.7162.3-75.7-176.6166.500107.7N380N380-E382 PolarHBondContact O-N 3.16Å
383S27.7Very low35.4Very low86 Ų86128.3 Ų128.360%0.60166%0.659SS**SBendtrans-178.8120.1149.6330000110.5I381 H385I381-S383 PolarHBondContact O-N 2.91Å; S383-H385 VanDerWaalsContact C-N 3.3Å; S383-H385 PolarHBondContact O-N 2.96Å
384D27.3Very low33Very low157 Ų157132 Ų13284%0.8468%0.68SS**SBendtrans56.33.7157.4-62.1-7.9000121.7E386D384-E386 VanDerWaalsContact C-N 3.28Å; D384-E386 PolarHBondContact O-N 2.73Å
385H26.8Very low31.1Very low161 Ų161136.9 Ų136.975%0.74570%0.701SS**  trans-94.340.8164.1-65.4-42.7000112.6S383 L387S383-H385 VanDerWaalsContact C-N 3.3Å; S383-H385 PolarHBondContact O-N 2.96Å; H385-L387 PolarHBondContact O-N 3.44Å
386E25.1Very low29.2Very low178 Ų178141.6 Ų141.683%0.83273%0.732SS**THydrogen-bonded Turntrans-66.35.2-178-100.1-162.4160.300115.8D384D384-E386 VanDerWaalsContact C-N 3.28Å; D384-E386 PolarHBondContact O-N 2.73Å
387L26.6Very low28Very low162 Ų162142.3 Ų142.385%0.84875%0.746SS**THydrogen-bonded Turntrans-99.8-3.5-178.2-93.9159.2000115.8H385H385-L387 PolarHBondContact O-N 3.44Å
388F24.7Very low27.1Very low196 Ų196145.9 Ų145.986%0.8677%0.768SS**SBendtrans-120.3-3.8-174.7-92.4-81.4000117.9
389I24.6Very low26.6Very low143 Ų143149.3 Ų149.373%0.73378%0.781SS**SBendtrans-118.710.6-176-52.8-170.1000114E391I389-E391 PolarHBondContact O-N 2.77Å; I389-E391 VanDerWaalsContact O-N 3.11Å
390K24.6Very low26.3Very low206 Ų206151 Ų15190%0.89679%0.791SS**THydrogen-bonded Turntrans-73.74.3174.6-110.4178.6-175.4167.80115.7
391E27.3Very low26.1Very low187 Ų187151.1 Ų151.187%0.87479%0.792SS**THydrogen-bonded Turntrans-122.28.8-173.6-134.3164.5-159.700116.1I389I389-E391 PolarHBondContact O-N 2.77Å; I389-E391 VanDerWaalsContact O-N 3.11Å
392I27.3Very low26.1Very low134 Ų134149.4 Ų149.469%0.68779%0.787SS**  trans-12589.1174.2-50.2178.6000109L394I392-L394 HydrophobicContact CG2-CD1 3.98Å; I392-L394 PolarHBondContact O-N 2.9Å
393G23.6Very low26.4Very low80 Ų80148.3 Ų148.383%0.82578%0.782SS**  trans-69.3108.7170.900000110.1
394L25.3Very low26.8Very low152 Ų152148.6 Ų148.680%0.79678%0.776SS**  trans-139.5127.4164-104117.4000110.9I392I392-L394 HydrophobicContact CG2-CD1 3.98Å; I392-L394 PolarHBondContact O-N 2.9Å
395E24.4Very low27.7Very low182 Ų182142.7 Ų142.785%0.8575%0.746SS**PPolyproline II helixtrans-73.6145.8176.2-64.3175.1162.100110.4P397E395-P397 WeakPolarHBondContact O-CD 3.26Å
396T24.6Very low28.9Very low138 Ų138142.2 Ų142.285%0.84774%0.737SS**PPolyproline II helixtrans-57.4123.6-179.248.70000113.4
397P25.8Very low31.1Very low120 Ų120135.1 Ų135.178%0.77970%0.703SS**PPolyproline II helixtrans-101.3120.3157.715.44.2000109.9E395 N399E395-P397 WeakPolarHBondContact O-CD 3.26Å; P397-N399 PolarHBondContact O-N 3.08Å; P397-N399 VanDerWaalsContact O-N 3.1Å
398D25.5Very low33.5Very low171 Ų171127.5 Ų127.591%0.91466%0.663SS**  trans-53.8105.7166.2-74.3-42.1000110.2
399N26.4Very low36.1Very low132 Ų132121.3 Ų121.371%0.70663%0.634SS**  trans-152.8114.1158.6-156.919.4000110.2P397 D401P397-N399 PolarHBondContact O-N 3.08Å; P397-N399 VanDerWaalsContact O-N 3.1Å; N399-D401 PolarHBondContact O-N 3.23Å
400D27.3Very low38.7Very low162 Ų162114.5 Ų114.587%0.86660%0.599SS**  trans-6819.9-170.3-77.5-43000116.2V402D400-V402 VanDerWaalsContact C-N 3.31Å; D400-V402 PolarHBondContact O-N 3.23Å
401D27.4Very low41.2Very low127 Ų127104.9 Ų104.968%0.67956%0.558SS**  trans-93.558.7174.6-87.7-26.8000111.1N399 H403N399-D401 PolarHBondContact O-N 3.23Å; D401-H403 PolarHBondContact O-N 3.09Å
402V29.3Very low43.5Very low90 Ų9096.2 Ų96.255%0.54552%0.517SS..  trans-75.595.8171.7-176.20000107.8D400 L404D400-V402 VanDerWaalsContact C-N 3.31Å; D400-V402 PolarHBondContact O-N 3.23Å; V402-L404 HydrophobicContact CG1-CD1 4.43Å; V402-L404 PolarHBondContact O-N 3.34Å
403H32.6Very low45.6Very low150 Ų15091.5 Ų91.569%0.69449%0.494SS*.  trans-65.694.2173.1-74.9-70.9000110.2D401 T405D401-H403 PolarHBondContact O-N 3.09Å; H403-T405 PolarHBondContact O-N 2.93Å
404L36.3Very low47.5Very low93 Ų9388 Ų8849%0.48746%0.458SS..PPolyproline II helixtrans-68.5120.9172.4-82.7103.6000110.4E376 V402E376-L404 HydrophobicContact CB-CD2 3.75Å; V402-L404 HydrophobicContact CG1-CD1 4.43Å; V402-L404 PolarHBondContact O-N 3.34Å
405T46Very low49.1Very low32 Ų3281.8 Ų81.820%0.19643%0.426CS..EExtended strand (participates in β ladder)trans-92.9119.3171.9-12.80000109.1H403H403-T405 PolarHBondContact O-N 2.93Å
406R53.2Low50.5Low151 Ų15178.5 Ų78.557%0.5741%0.413SS*.EExtended strand (participates in β ladder)trans-79.2127.8172.8-79176.3175.9168.91.6110.1I374 E376I374-R406 HydrophobicContact CG2-CB 4.46Å; E376-R406 HydrophobicContact CG-CG 3.85Å; E376-R406 IonicContact OE1-CZ 3.51Å; E376-R406 VanDerWaalsContact OE1-CZ 3.23Å; E376-R406 IonicContact OE1-NE 3.09Å; E376-R406 PolarHBondContact OE1-NE 3.39Å; E376-R406 IonicContact OE1-NH2 2.77Å; E376-R406 PolarHBondContact OE1-NH2 3.4Å
407Y70.2Confident51.3Low30 Ų3075.7 Ų75.712%0.11840%0.396CS..EExtended strand (participates in β ladder)trans-133.9150.1173.856.5-90.3000112.8I314 L315 I375 Q377I314-Y407 WeakPolarHBondContact O-CB 3.4Å; L315-Y407 HydrophobicContact CD2-CD2 4.2Å; L315-Y407 HydrophobicContact CD2-CG 4.22Å; I375-Y407 HydrophobicContact CB-CD2 4.23Å; I375-Y407 HydrophobicContact CB-CE1 4.33Å; I375-Y407 HydrophobicContact CB-CE2 3.66Å; I375-Y407 HydrophobicContact CD1-CE2 3.97Å; I375-Y407 HydrophobicContact CG1-CE2 4.29Å; I375-Y407 HydrophobicContact CG2-CE1 4.26Å; I375-Y407 HydrophobicContact CG2-CE2 4.09Å; I375-Y407 VanDerWaalsContact CG2-OH 3.24Å; I375-Y407 WeakPolarHBondContact CG2-OH 3.28Å; I375-Y407 PolarHBondContact N-O 3.32Å; I375-Y407 PolarHBondContact O-N 3.14Å; I375-Y407 VanDerWaalsContact O-N 3.13Å; Q377-Y407 HydrophobicContact CB-CE1 3.61Å; Q377-Y407 WeakPolarHBondContact CB-OH 3.28Å; Q377-Y407 PolarHBondContact OE1-OH 3.18Å
408L76.8Confident51.9Low1 Ų176.5 Ų76.51%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-84.9133.4177.2-17671.5000110.2K313 I314 I374 E459 Y463K313-L408 WeakPolarHBondContact CA-O 3.44Å; I314-L408 HydrophobicContact CB-CB 4.27Å; I314-L408 HydrophobicContact CD1-CB 4.32Å; I314-L408 HydrophobicContact CD1-CD2 3.76Å; I314-L408 HydrophobicContact CG1-CB 4.48Å; I314-L408 PolarHBondContact N-O 2.8Å; I374-L408 HydrophobicContact CG1-CD1 4.48Å; L408-E459 HydrophobicContact CD1-CB 4.17Å; L408-Y463 HydrophobicContact CB-CD1 4.07Å; L408-Y463 HydrophobicContact CB-CD2 4.24Å; L408-Y463 HydrophobicContact CB-CE1 4.22Å; L408-Y463 HydrophobicContact CB-CE2 4.39Å; L408-Y463 HydrophobicContact CB-CG 4.08Å; L408-Y463 HydrophobicContact CD1-CD2 3.99Å; L408-Y463 HydrophobicContact CD1-CE2 3.99Å; L408-Y463 HydrophobicContact CD2-CD2 4.03Å; L408-Y463 HydrophobicContact CD2-CG 4.03Å; L408-Y463 HydrophobicContact CG-CD2 4.31Å; L408-Y463 HydrophobicContact CG-CG 4.46Å
409R79.2Confident52.1Low66 Ų6674 Ų7425%0.24939%0.385CS..EExtended strand (participates in β ladder)trans-127.3113.5169.8-170.6-178-173.9-176.43110.5L312 K313 Q373 I375 T411L312-R409 WeakPolarHBondContact O-CA 3.32Å; K313-R409 HydrophobicContact CG-CG 4.37Å; Q373-R409 PolarHBondContact N-O 2.99Å; Q373-R409 PolarHBondContact O-N 2.96Å; I375-R409 HydrophobicContact CD1-CB 3.91Å; I375-R409 HydrophobicContact CD1-CG 4.36Å; I375-R409 HydrophobicContact CG1-CB 4.48Å; R409-T411 HydrophobicContact CG-CG2 3.99Å
410L79.9Confident52.3Low0 Ų073.6 Ų73.60%039%0.387CS..EExtended strand (participates in β ladder)trans-100.8128169.4174.265.4000108.8S311 L312 I349 C372 V456 L460S311-L410 CarbonylContact C-O 3.57Å; S311-L410 VanDerWaalsContact CA-O 3.22Å; S311-L410 WeakPolarHBondContact CA-O 3.47Å; L312-L410 HydrophobicContact CB-CB 4.27Å; L312-L410 PolarHBondContact N-O 3.22Å; L312-L410 PolarHBondContact O-N 2.98Å; I349-L410 HydrophobicContact CD1-CD2 3.89Å; I349-L410 HydrophobicContact CD1-CG 4.22Å; I349-L410 HydrophobicContact CG2-CD2 4.32Å; C372-L410 HydrophobicContact CB-CD1 4.17Å; L410-V456 HydrophobicContact CD1-CG1 3.94Å; L410-V456 HydrophobicContact CD1-CG2 3.78Å; L410-V456 HydrophobicContact CD2-CG1 4.07Å; L410-L460 HydrophobicContact CD2-CD1 4.44Å; L410-L460 HydrophobicContact CD2-CD2 4.44Å
411T76.2Confident52.3Low5 Ų572.4 Ų72.43%0.03139%0.386CS..EExtended strand (participates in β ladder)trans-131.5137.9-176.642.70000111.4I308 A310 K371 R409I308-T411 HydrophobicContact CD1-CG2 4.24Å; I308-T411 HydrophobicContact CG2-CG2 3.99Å; A310-T411 WeakPolarHBondContact O-CA 3.26Å; K371-T411 PolarHBondContact N-O 2.95Å; K371-T411 PolarHBondContact O-N 3.47Å; K371-T411 PolarHBondContact O-OG1 3.27Å; R409-T411 HydrophobicContact CG-CG2 3.99Å
412L77.2Confident52.2Low4 Ų472 Ų722%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-100.8113.8165.317863.1000108.4L309 A310 I349 P352 W353 L370L309-L412 HydrophobicContact CB-CB 4.49Å; L309-L412 HydrophobicContact CB-CD2 4.19Å; L309-L412 HydrophobicContact CB-CG 4.19Å; L309-L412 WeakPolarHBondContact CB-O 3.32Å; L309-L412 HydrophobicContact CD1-CD2 4.26Å; L309-L412 HydrophobicContact CD1-CG 4.23Å; L309-L412 PolarHBondContact N-O 3Å; A310-L412 PolarHBondContact O-N 3.43Å; I349-L412 HydrophobicContact CG2-CB 4.43Å; P352-L412 HydrophobicContact CB-CD2 3.95Å; W353-L412 HydrophobicContact CB-CD1 3.91Å; W353-L412 HydrophobicContact CG-CD1 4.21Å; L370-L412 HydrophobicContact CD2-CD1 4.07Å; L370-L412 HydrophobicContact CG-CD1 4.47Å
413N70.5Confident52Low35 Ų3574.2 Ų74.219%0.18740%0.402CS..EExtended strand (participates in β ladder)trans-97.8142.2-178.6-65.1-17.3000111G368 K369G368-N413 CarbonylContact C-O 3.6Å; G368-N413 WeakPolarHBondContact CA-O 3.44Å; K369-N413 PolarHBondContact N-O 2.95Å; K369-N413 PolarHBondContact O-N 3.42Å
414A64.2Low51.7Low8 Ų873 Ų737%0.06641%0.406CS..PPolyproline II helixtrans-63.2155171.400000111.5T307 L309T307-A414 WeakPolarHBondContact O-CB 3.17Å; T307-A414 PolarHBondContact O-N 3.34Å; L309-A414 HydrophobicContact CD1-CB 4.34Å; L309-A414 HydrophobicContact CD2-CB 4.4Å; L309-A414 HydrophobicContact CG-CB 4.22Å
415P58.5Low51.1Low21 Ų2174.7 Ų74.714%0.13642%0.42CS..PPolyproline II helixtrans-51.3140.5169.7-30.839.3000113.6C359 G366C359-P415 HydrophobicContact CB-CB 4.5Å; C359-P415 HydrophobicContact CB-CG 3.61Å; G366-P415 WeakPolarHBondContact O-CB 3.42Å; G366-P415 WeakPolarHBondContact O-CG 3.22Å
416I52.8Low50Low112 Ų11280.6 Ų80.657%0.57445%0.45SS*.  trans-90.5114.1163.8-55.5169.8000105.9N418I416-N418 PolarHBondContact O-N 3.23Å
417T42.7Very low48.6Very low79 Ų7978.6 Ų78.649%0.48546%0.457SS..  trans-74.1114163.350.70000106.5T419T417-T419 PolarHBondContact O-N 2.89Å
418N37.5Very low46.5Very low137 Ų13784.7 Ų84.773%0.73349%0.492SS*.  trans-65.589.6168.5-75.2-11.5000107.1I416 T420I416-N418 PolarHBondContact O-N 3.23Å; N418-T420 VanDerWaalsContact C-N 3.34Å; N418-T420 PolarHBondContact O-N 3.08Å
419T31.2Very low44Very low119 Ų11991.4 Ų91.473%0.7353%0.527SS*.  trans-61.5103.4167.633.10000106.7T417 T421T417-T419 PolarHBondContact O-N 2.89Å; T419-T421 PolarHBondContact O-N 3.2Å
420T28.8Very low41.3Very low124 Ų12496 Ų9676%0.76156%0.557SS**  trans-45.2109.5166.8-4.50000106.9N418 T422N418-T420 VanDerWaalsContact C-N 3.34Å; N418-T420 PolarHBondContact O-N 3.08Å; T420-T422 PolarHBondContact O-N 2.97Å
421T27.7Very low38.9Very low136 Ų136102.9 Ų102.983%0.83459%0.594SS**  trans-56.7108176.813.60000107.1T419 T423T419-T421 PolarHBondContact O-N 3.2Å; T421-T423 PolarHBondContact O-N 3.37Å
422T25.9Very low36.4Very low119 Ų119109.5 Ų109.573%0.7363%0.629SS**  trans-45.4106.516538.60000108.5T420 T424T420-T422 PolarHBondContact O-N 2.97Å; T422-T424 VanDerWaalsContact C-N 3.26Å; T422-T424 PolarHBondContact O-N 2.71Å
423T24.8Very low34Very low137 Ų137117 Ų11784%0.8467%0.669SS**  trans-9.374152.240.50000114.9T421 T425T421-T423 PolarHBondContact O-N 3.37Å; T423-T425 PolarHBondContact O-N 3.36Å
424T26Very low31.9Very low125 Ų125120.1 Ų120.177%0.76769%0.691SS**  trans-77.487.4155.750.20000106.3T422 N426T422-T424 VanDerWaalsContact C-N 3.26Å; T422-T424 PolarHBondContact O-N 2.71Å; T424-N426 PolarHBondContact O-N 3.2Å
425T23.4Very low30.1Very low128 Ų128127 Ų12779%0.78573%0.727SS**  trans-6.294.6155.252.60000113.7T423T423-T425 PolarHBondContact O-N 3.36Å
426N23.5Very low28.7Very low155 Ų155134.8 Ų134.883%0.82976%0.761SS**  trans-113.695.1160.4-133-6.7000106.8T424 N428T424-N426 PolarHBondContact O-N 3.2Å; N426-N428 VanDerWaalsContact C-N 3.28Å; N426-N428 PolarHBondContact O-N 3.12Å
427P24.6Very low27.5Very low110 Ų110136.2 Ų136.271%0.71477%0.77SS**  trans-81.779.2-17633.6-30.2000107.9
428N25.6Very low26.8Very low158 Ų158140.4 Ų140.485%0.84579%0.79SS**  trans-177.172.5162.6-100.4-13.7000110.9N426N426-N428 VanDerWaalsContact C-N 3.28Å; N426-N428 PolarHBondContact O-N 3.12Å
429N23.5Very low26.5Very low142 Ų142140 Ų14076%0.75979%0.788SS**  trans-158.986.1142.6-144.61.4000110.4N431N429-N431 PolarHBondContact O-N 2.94Å
430N23.7Very low26.7Very low161 Ų161140.7 Ų140.786%0.86179%0.787SS**  trans-71.498.6159.6-88.2-13.1000107.1
431N28.2Very low27.2Very low145 Ų145142.3 Ų142.378%0.77579%0.791SS**  trans-144.8116.1151.1-96.5-18.1000108.6N429N429-N431 PolarHBondContact O-N 2.94Å
432N25.4Very low27.9Very low144 Ų144142.4 Ų142.477%0.7779%0.786SS**  trans-62.9131.5176.7-56.7-44.6000110
433N25.4Very low28.8Very low161 Ų161141.5 Ų141.586%0.86178%0.777SS**  trans-170.998.3138.1-92.3-6.5000107.5
434P27Very low30.6Very low101 Ų101138.6 Ų138.666%0.65676%0.756SS**  trans-78.5158.7155.734.3-26.9000108.7
435D26.4Very low32.4Very low153 Ų153134.4 Ų134.482%0.81873%0.729SS**  trans98.472.7173.8-43.8-25.4000115.3
436E28.1Very low34.4Very low184 Ų184129 Ų12986%0.8670%0.695SS**  trans-148.693.9141.2-71.8-158.6173.500108.8
437D27.8Very low36.7Very low143 Ų143122.3 Ų122.377%0.76566%0.661SS**  trans2199.3141.6-52.5-38.9000119D439D437-D439 PolarHBondContact O-N 3.31Å
438D28.1Very low39Very low167 Ų167119.4 Ų119.489%0.89364%0.641SS**SBendtrans-79.225.5170-79.1-42.4000113.5
439D31.7Very low41.3Very low128 Ų128111.9 Ų111.968%0.68460%0.601SS**  trans-91.60.4-172.6-83-23.5000114.9D437D437-D439 PolarHBondContact O-N 3.31Å
440D34.4Very low43.8Very low134 Ų134105.2 Ų105.272%0.71757%0.565SS**SBendtrans-84.3-12-172.1-81.2-20000115.4
441D40.7Very low46.3Very low158 Ų158100.4 Ų100.485%0.84554%0.539SS*.SBendtrans-79.8-23.3-173.4-88.5-18.2000114.1
442D41Very low48.8Very low138 Ų13894.7 Ų94.774%0.73851%0.508SS*.SBendtrans-82.4-23.9179.6-85.9-20.2000113.1D444D442-D444 PolarHBondContact O-N 3.24Å
443D46.1Very low51.4Low99 Ų9987.9 Ų87.953%0.52947%0.471SS..THydrogen-bonded Turntrans-70.9-4.9-168.4-85.9-4.4000113.7K518D443-K518 IonicContact OD1-NZ 3.82Å; D443-K518 PolarHBondContact OD1-NZ 3.23Å
444D62.1Low53.7Low77 Ų7780.4 Ų80.441%0.41243%0.432SS..THydrogen-bonded Turntrans-127.221.4-178.8-136.133.8000115.8D442 I446 S447 T448D442-D444 PolarHBondContact O-N 3.24Å; D444-I446 PolarHBondContact O-N 2.64Å; D444-S447 PolarHBondContact O-N 2.78Å; D444-S447 WeakPolarHBondContact OD1-CB 3.34Å; D444-S447 PolarHBondContact OD1-OG 3.1Å; D444-S447 VanDerWaalsContact OD2-CB 3.28Å; D444-S447 WeakPolarHBondContact OD2-CB 3.27Å; D444-S447 PolarHBondContact OD2-OG 2.86Å; D444-T448 VanDerWaalsContact O-CB 3.28Å; D444-T448 WeakPolarHBondContact O-CB 3.49Å; D444-T448 PolarHBondContact O-N 3.13Å; D444-T448 PolarHBondContact O-OG1 3.24Å
445L64.1Low56.3Low37 Ų3780.1 Ų80.119%0.19443%0.425CS..Hα-helixtrans-61-45.1178.5-174.173000112.7S449 V511L445-S449 VanDerWaalsContact O-CB 3.26Å; L445-S449 WeakPolarHBondContact O-CB 3.47Å; L445-S449 PolarHBondContact O-N 2.98Å; L445-S449 PolarHBondContact O-OG 3.18Å; L445-V511 HydrophobicContact CD2-CG1 4.37Å
446I65.8Low58.9Low13 Ų1372.9 Ų72.97%0.06739%0.386CS..Hα-helixtrans-64.8-46.8179.1-65177.9000109.9D444 S449 C450 F509 G512 I528 V531 V532D444-I446 PolarHBondContact O-N 2.64Å; I446-S449 PolarHBondContact O-N 2.93Å; I446-C450 WeakPolarHBondContact O-CB 3.42Å; I446-C450 PolarHBondContact O-N 2.83Å; I446-C450 PolarHBondContact O-SG 3.41Å; I446-F509 HydrophobicContact CG2-CE1 4.28Å; I446-G512 WeakPolarHBondContact CD1-O 3.43Å; I446-I528 HydrophobicContact CD1-CD1 4.18Å; I446-I528 HydrophobicContact CD1-CG1 4.26Å; I446-I528 HydrophobicContact CD1-CG2 4.39Å; I446-V531 HydrophobicContact CG2-CG1 4.5Å; I446-V532 HydrophobicContact CG2-CG2 4.38Å
447S70.5Confident61.3Low16 Ų1664.2 Ų64.211%0.11235%0.345CS..Hα-helixtrans-57.6-51.5176.3173.90000112.6D444 S449 C450 N451D444-S447 PolarHBondContact O-N 2.78Å; D444-S447 WeakPolarHBondContact OD1-CB 3.34Å; D444-S447 PolarHBondContact OD1-OG 3.1Å; D444-S447 VanDerWaalsContact OD2-CB 3.28Å; D444-S447 WeakPolarHBondContact OD2-CB 3.27Å; D444-S447 PolarHBondContact OD2-OG 2.86Å; S447-S449 VanDerWaalsContact C-N 3.3Å; S447-S449 PolarHBondContact O-N 2.92Å; S447-C450 PolarHBondContact O-N 3.3Å; S447-N451 WeakPolarHBondContact O-CB 3.44Å; S447-N451 VanDerWaalsContact O-CG 3.26Å; S447-N451 PolarHBondContact O-N 2.9Å; S447-N451 PolarHBondContact O-ND2 2.97Å; S447-N451 VanDerWaalsContact O-ND2 3.08Å; S447-N451 PolarHBondContact OG-ND2 2.95Å
448T73.2Confident63.6Low48 Ų4861.9 Ų61.929%0.29433%0.33SS..Hα-helixtrans-60.5-41.4178.4-56.50000111.3W367 D444 N451 Q452W367-T448 HydrophobicContact CH2-CG2 3.6Å; W367-T448 HydrophobicContact CZ2-CG2 3.9Å; D444-T448 VanDerWaalsContact O-CB 3.28Å; D444-T448 WeakPolarHBondContact O-CB 3.49Å; D444-T448 PolarHBondContact O-N 3.13Å; D444-T448 PolarHBondContact O-OG1 3.24Å; T448-N451 PolarHBondContact O-N 2.98Å; T448-Q452 WeakPolarHBondContact O-CG 3.45Å; T448-Q452 PolarHBondContact O-N 3.46Å
449S75.4Confident66Low1 Ų156.3 Ų56.31%0.00730%0.299CS..Hα-helixtrans-64.8-45.9177.9-60.30000112.2L445 I446 S447 N451 Q452 L453L445-S449 VanDerWaalsContact O-CB 3.26Å; L445-S449 WeakPolarHBondContact O-CB 3.47Å; L445-S449 PolarHBondContact O-N 2.98Å; L445-S449 PolarHBondContact O-OG 3.18Å; I446-S449 PolarHBondContact O-N 2.93Å; S447-S449 VanDerWaalsContact C-N 3.3Å; S447-S449 PolarHBondContact O-N 2.92Å; S449-N451 PolarHBondContact O-N 2.96Å; S449-Q452 PolarHBondContact O-N 3.23Å; S449-L453 PolarHBondContact O-N 3.4Å
450C74.9Confident68.1Low1 Ų150.2 Ų50.21%0.00727%0.266CS..Hα-helixtrans-63.7-39.8177.2-73.50000112I446 S447 L453 T454 F509 V531 L535I446-C450 WeakPolarHBondContact O-CB 3.42Å; I446-C450 PolarHBondContact O-N 2.83Å; I446-C450 PolarHBondContact O-SG 3.41Å; S447-C450 PolarHBondContact O-N 3.3Å; C450-L453 PolarHBondContact O-N 2.82Å; C450-T454 VanDerWaalsContact O-CB 3.28Å; C450-T454 WeakPolarHBondContact O-CB 3.49Å; C450-T454 PolarHBondContact O-N 3.35Å; C450-T454 PolarHBondContact O-OG1 3.47Å; C450-F509 VanDerWaalsContact SG-CZ 3.53Å; C450-V531 HydrophobicContact CB-CG1 3.44Å; C450-V531 VanDerWaalsContact CB-CG1 3.44Å; C450-L535 HydrophobicContact CB-CB 4.35Å
451N77.1Confident69.8Low60 Ų6045.6 Ų45.632%0.32124%0.239SC..Hα-helixtrans-66.4-39.2177.8-73.4-35.8000112.2S447 T448 S449 T454 N455S447-N451 WeakPolarHBondContact O-CB 3.44Å; S447-N451 VanDerWaalsContact O-CG 3.26Å; S447-N451 PolarHBondContact O-N 2.9Å; S447-N451 PolarHBondContact O-ND2 2.97Å; S447-N451 VanDerWaalsContact O-ND2 3.08Å; S447-N451 PolarHBondContact OG-ND2 2.95Å; T448-N451 PolarHBondContact O-N 2.98Å; S449-N451 PolarHBondContact O-N 2.96Å; N451-T454 PolarHBondContact O-N 3.36Å; N451-N455 PolarHBondContact O-N 2.84Å
452Q79.7Confident71.4Confident26 Ų2641.5 Ų41.512%0.12122%0.22CC..Hα-helixtrans-62.2-48.3174.4-75.8-175.217.900112.1W353 L370 T448 S449 T454 N455 V456W353-Q452 HydrophobicContact CZ2-CB 4.42Å; L370-Q452 HydrophobicContact CB-CB 4.38Å; T448-Q452 WeakPolarHBondContact O-CG 3.45Å; T448-Q452 PolarHBondContact O-N 3.46Å; S449-Q452 PolarHBondContact O-N 3.23Å; Q452-T454 VanDerWaalsContact C-N 3.33Å; Q452-T454 PolarHBondContact O-N 3.19Å; Q452-N455 PolarHBondContact O-N 3.13Å; Q452-V456 WeakPolarHBondContact O-CG2 3.46Å; Q452-V456 PolarHBondContact O-N 3.33Å; Q452-V456 VanDerWaalsContact O-N 3.12Å
453L79.2Confident72.8Confident0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-61.3-43.7178.2-76.2172.7000112.3F350 W353 L370 S449 C450 N455 V456 F457 L504 L535F350-L453 HydrophobicContact CD1-CD2 4.11Å; F350-L453 HydrophobicContact CE1-CD2 3.83Å; W353-L453 HydrophobicContact CE3-CD2 4.37Å; W353-L453 HydrophobicContact CH2-CD1 3.96Å; W353-L453 HydrophobicContact CH2-CD2 4.09Å; W353-L453 HydrophobicContact CH2-CG 3.71Å; W353-L453 HydrophobicContact CZ3-CD1 3.92Å; W353-L453 HydrophobicContact CZ3-CD2 3.68Å; W353-L453 HydrophobicContact CZ3-CG 3.78Å; L370-L453 HydrophobicContact CD1-CD2 4.49Å; S449-L453 PolarHBondContact O-N 3.4Å; C450-L453 PolarHBondContact O-N 2.82Å; L453-N455 VanDerWaalsContact C-N 3.33Å; L453-N455 PolarHBondContact O-N 2.99Å; L453-V456 PolarHBondContact O-N 3.28Å; L453-F457 HydrophobicContact CB-CD2 4.46Å; L453-F457 HydrophobicContact CB-CE2 4.08Å; L453-F457 HydrophobicContact CD2-CE2 4.26Å; L453-F457 HydrophobicContact CD2-CZ 3.93Å; L453-F457 WeakPolarHBondContact O-CB 3.12Å; L453-F457 WeakPolarHBondContact O-CD2 3.37Å; L453-F457 WeakPolarHBondContact O-CG 3.31Å; L453-F457 PolarHBondContact O-N 3.44Å; L453-L504 HydrophobicContact CD1-CD1 4.05Å; L453-L504 HydrophobicContact CD1-CD2 3.56Å; L453-L504 HydrophobicContact CD1-CG 4.39Å; L453-L535 HydrophobicContact CB-CD1 3.84Å; L453-L535 HydrophobicContact CD1-CD1 4.46Å; L453-L535 HydrophobicContact CD1-CD2 4.33Å
454T75.5Confident73.9Confident5 Ų531.5 Ų31.53%0.03117%0.165CC..Hα-helixtrans-53.7-50177.7-66.50000111.6C450 N451 Q452 F457 Q458 I538C450-T454 VanDerWaalsContact O-CB 3.28Å; C450-T454 WeakPolarHBondContact O-CB 3.49Å; C450-T454 PolarHBondContact O-N 3.35Å; C450-T454 PolarHBondContact O-OG1 3.47Å; N451-T454 PolarHBondContact O-N 3.36Å; Q452-T454 VanDerWaalsContact C-N 3.33Å; Q452-T454 PolarHBondContact O-N 3.19Å; T454-F457 PolarHBondContact O-N 3.37Å; T454-Q458 WeakPolarHBondContact O-CB 3.48Å; T454-Q458 PolarHBondContact O-N 2.83Å; T454-I538 HydrophobicContact CG2-CB 4.12Å; T454-I538 HydrophobicContact CG2-CD1 3.14Å; T454-I538 HydrophobicContact CG2-CG1 4.16Å; T454-I538 HydrophobicContact CG2-CG2 3.93Å
455N80Confident74.2Confident95 Ų9528 Ų2851%0.50815%0.146SC..Hα-helixtrans-65.6-42.1-179.8-69.4-14.9000112N451 Q452 L453 Q458 E459N451-N455 PolarHBondContact O-N 2.84Å; Q452-N455 PolarHBondContact O-N 3.13Å; L453-N455 VanDerWaalsContact C-N 3.33Å; L453-N455 PolarHBondContact O-N 2.99Å; N455-Q458 PolarHBondContact O-N 3.41Å; N455-E459 WeakPolarHBondContact O-CG 3.43Å; N455-E459 PolarHBondContact O-N 3.33Å; N455-E459 VanDerWaalsContact O-N 3.13Å
456V81.8Confident74Confident1 Ų127 Ų271%0.00615%0.145CC..Hα-helixtrans-64.8-44.6179.3174.90000111.2F350 L370 C372 L410 Q452 L453 E459 L460F350-V456 HydrophobicContact CE1-CG1 4.01Å; F350-V456 HydrophobicContact CZ-CG1 3.56Å; L370-V456 HydrophobicContact CB-CG2 4.26Å; C372-V456 HydrophobicContact CB-CG2 4.33Å; L410-V456 HydrophobicContact CD1-CG1 3.94Å; L410-V456 HydrophobicContact CD1-CG2 3.78Å; L410-V456 HydrophobicContact CD2-CG1 4.07Å; Q452-V456 WeakPolarHBondContact O-CG2 3.46Å; Q452-V456 PolarHBondContact O-N 3.33Å; Q452-V456 VanDerWaalsContact O-N 3.12Å; L453-V456 PolarHBondContact O-N 3.28Å; V456-E459 PolarHBondContact O-N 2.98Å; V456-L460 HydrophobicContact CG1-CD1 3.71Å; V456-L460 HydrophobicContact CG1-CG 4.19Å; V456-L460 WeakPolarHBondContact O-CB 3.27Å; V456-L460 WeakPolarHBondContact O-CG 3.37Å; V456-L460 PolarHBondContact O-N 2.86Å
457F78.5Confident73.6Confident1 Ų127.7 Ų27.70%0.00415%0.148CC..Hα-helixtrans-64.3-41.9177.9-68.5-27.7000112.1F350 L453 T454 E459 Y461 L500 L535 F544F350-F457 HydrophobicContact CE1-CE1 4.07Å; F350-F457 HydrophobicContact CZ-CD1 4.4Å; F350-F457 AromaticContact CZ-CE1 3.77Å; F350-F457 HydrophobicContact CZ-CE1 3.77Å; L453-F457 HydrophobicContact CB-CD2 4.46Å; L453-F457 HydrophobicContact CB-CE2 4.08Å; L453-F457 HydrophobicContact CD2-CE2 4.26Å; L453-F457 HydrophobicContact CD2-CZ 3.93Å; L453-F457 WeakPolarHBondContact O-CB 3.12Å; L453-F457 WeakPolarHBondContact O-CD2 3.37Å; L453-F457 WeakPolarHBondContact O-CG 3.31Å; L453-F457 PolarHBondContact O-N 3.44Å; T454-F457 PolarHBondContact O-N 3.37Å; F457-E459 VanDerWaalsContact C-N 3.34Å; F457-E459 PolarHBondContact O-N 3.5Å; F457-Y461 WeakPolarHBondContact O-CB 3.21Å; F457-Y461 PolarHBondContact O-N 2.84Å; F457-L500 HydrophobicContact CE1-CD2 4.28Å; F457-L500 HydrophobicContact CE2-CD2 4.1Å; F457-L500 HydrophobicContact CZ-CD2 3.43Å; F457-L500 VanDerWaalsContact CZ-CD2 3.43Å; F457-L535 HydrophobicContact CE2-CD1 4.46Å; F457-F544 HydrophobicContact CB-CD2 3.63Å; F457-F544 HydrophobicContact CB-CE2 3.94Å; F457-F544 HydrophobicContact CB-CG 4.3Å; F457-F544 HydrophobicContact CD1-CB 4.28Å; F457-F544 HydrophobicContact CD1-CD1 4.04Å; F457-F544 AromaticContact CD1-CD2 3.92Å; F457-F544 HydrophobicContact CD1-CD2 3.92Å; F457-F544 HydrophobicContact CD1-CE1 4.27Å; F457-F544 HydrophobicContact CD1-CE2 4.18Å; F457-F544 AromaticContact CD1-CG 3.84Å; F457-F544 HydrophobicContact CD1-CG 3.84Å; F457-F544 HydrophobicContact CD1-CZ 4.31Å; F457-F544 HydrophobicContact CD2-CB 4.34Å; F457-F544 HydrophobicContact CE1-CD1 4.36Å; F457-F544 HydrophobicContact CE1-CG 4.4Å; F457-F544 HydrophobicContact CG-CB 4.19Å; F457-F544 AromaticContact CG-CD2 3.86Å; F457-F544 HydrophobicContact CG-CD2 3.86Å; F457-F544 HydrophobicContact CG-CE2 4.36Å; F457-F544 HydrophobicContact CG-CG 4.02Å; F457-F544 VanDerWaalsContact O-CE2 3.22Å; F457-F544 WeakPolarHBondContact O-CE2 3.4Å
458Q76.3Confident72.5Confident95 Ų9533.9 Ų33.944%0.44418%0.175SC..Hα-helixtrans-60.6-42.4176.9-173.9172.5-14.300112.4T454 N455 T462T454-Q458 WeakPolarHBondContact O-CB 3.48Å; T454-Q458 PolarHBondContact O-N 2.83Å; N455-Q458 PolarHBondContact O-N 3.41Å; Q458-T462 PolarHBondContact O-N 3.18Å; Q458-T462 VanDerWaalsContact O-N 3.09Å; Q458-T462 PolarHBondContact O-OG1 2.7Å
459E77.9Confident71.1Confident49 Ų4931.8 Ų31.823%0.22916%0.163CC..Hα-helixtrans-76-42.3-178.5-67.7-58.114600113.3C372 L408 N455 V456 F457 Y461 T462 Y463C372-E459 VanDerWaalsContact SG-CB 3.57Å; L408-E459 HydrophobicContact CD1-CB 4.17Å; N455-E459 WeakPolarHBondContact O-CG 3.43Å; N455-E459 PolarHBondContact O-N 3.33Å; N455-E459 VanDerWaalsContact O-N 3.13Å; V456-E459 PolarHBondContact O-N 2.98Å; F457-E459 VanDerWaalsContact C-N 3.34Å; F457-E459 PolarHBondContact O-N 3.5Å; E459-Y461 PolarHBondContact O-N 3.03Å; E459-T462 PolarHBondContact O-N 3.31Å; E459-T462 VanDerWaalsContact O-N 3.15Å; E459-Y463 WeakPolarHBondContact O-CD2 3.41Å; E459-Y463 PolarHBondContact O-N 3.04Å; E459-Y463 WeakPolarHBondContact OE2-CE2 3.38Å
460L75.6Confident69.6Low1 Ų133.7 Ų33.71%0.00517%0.173CC..Hα-helixtrans-60.7-38173.9-75.5176.1000111.5L312 F350 L410 V456 L464 F465 F544L312-L460 HydrophobicContact CD2-CD2 4.08Å; F350-L460 HydrophobicContact CE2-CD1 4.29Å; F350-L460 HydrophobicContact CZ-CD1 4.21Å; L410-L460 HydrophobicContact CD2-CD1 4.44Å; L410-L460 HydrophobicContact CD2-CD2 4.44Å; V456-L460 HydrophobicContact CG1-CD1 3.71Å; V456-L460 HydrophobicContact CG1-CG 4.19Å; V456-L460 WeakPolarHBondContact O-CB 3.27Å; V456-L460 WeakPolarHBondContact O-CG 3.37Å; V456-L460 PolarHBondContact O-N 2.86Å; L460-L464 HydrophobicContact CD2-CD1 4.13Å; L460-L464 PolarHBondContact O-N 3.06Å; L460-F465 HydrophobicContact CB-CD2 4.1Å; L460-F465 HydrophobicContact CB-CE2 3.93Å; L460-F465 WeakPolarHBondContact O-CD2 3.3Å; L460-F465 PolarHBondContact O-N 3.3Å; L460-F544 HydrophobicContact CB-CE2 4.49Å; L460-F544 HydrophobicContact CB-CZ 3.92Å
461Y71.5Confident68Low37 Ų3743.6 Ų43.615%0.14522%0.219CC..Iπ-helixtrans-59.7-52.8171.7-175.4-98.2000110.5F457 E459 Y463 F465 G466 R476 I478 T542F457-Y461 WeakPolarHBondContact O-CB 3.21Å; F457-Y461 PolarHBondContact O-N 2.84Å; E459-Y461 PolarHBondContact O-N 3.03Å; Y461-Y463 VanDerWaalsContact C-N 3.35Å; Y461-Y463 PolarHBondContact O-N 3.3Å; Y461-F465 PolarHBondContact O-N 3.21Å; Y461-G466 WeakPolarHBondContact O-CA 3.45Å; Y461-G466 PolarHBondContact O-N 3.5Å; Y461-R476 WeakPolarHBondContact OH-CD 3.45Å; Y461-R476 PolarHBondContact OH-NE 3.47Å; Y461-R476 VanDerWaalsContact OH-NE 3.12Å; Y461-R476 PolarHBondContact OH-NH1 3.23Å; Y461-I478 HydrophobicContact CD2-CD1 4.22Å; Y461-I478 HydrophobicContact CE2-CD1 4.27Å; Y461-T542 WeakPolarHBondContact CD2-O 3.43Å; Y461-T542 VanDerWaalsContact CE2-O 3.25Å; Y461-T542 WeakPolarHBondContact CE2-O 3.45Å; Y461-T542 HydrophobicContact CG-CG2 4.12Å
462T72.9Confident66.5Low71 Ų7145.2 Ų45.244%0.43624%0.235SC..Iπ-helixtrans-57.4-41.1-178.5-57.80000114.3Q458 E459Q458-T462 PolarHBondContact O-N 3.18Å; Q458-T462 VanDerWaalsContact O-N 3.09Å; Q458-T462 PolarHBondContact O-OG1 2.7Å; E459-T462 PolarHBondContact O-N 3.31Å; E459-T462 VanDerWaalsContact O-N 3.15Å
463Y70.8Confident64.9Low20 Ų2049 Ų498%0.07826%0.256CS..Iπ-helixtrans-94.5-26.3-171.5-79.2-92.8000115.6I374 L408 E459 Y461I374-Y463 HydrophobicContact CD1-CE2 4.25Å; I374-Y463 WeakPolarHBondContact CD1-OH 3.34Å; I374-Y463 HydrophobicContact CG1-CE2 4.31Å; L408-Y463 HydrophobicContact CB-CD1 4.07Å; L408-Y463 HydrophobicContact CB-CD2 4.24Å; L408-Y463 HydrophobicContact CB-CE1 4.22Å; L408-Y463 HydrophobicContact CB-CE2 4.39Å; L408-Y463 HydrophobicContact CB-CG 4.08Å; L408-Y463 HydrophobicContact CD1-CD2 3.99Å; L408-Y463 HydrophobicContact CD1-CE2 3.99Å; L408-Y463 HydrophobicContact CD2-CD2 4.03Å; L408-Y463 HydrophobicContact CD2-CG 4.03Å; L408-Y463 HydrophobicContact CG-CD2 4.31Å; L408-Y463 HydrophobicContact CG-CG 4.46Å; E459-Y463 WeakPolarHBondContact O-CD2 3.41Å; E459-Y463 PolarHBondContact O-N 3.04Å; E459-Y463 WeakPolarHBondContact OE2-CE2 3.38Å; Y461-Y463 VanDerWaalsContact C-N 3.35Å; Y461-Y463 PolarHBondContact O-N 3.3Å
464L70.2Confident63.3Low7 Ų751.8 Ų51.84%0.03729%0.285CS..Iπ-helixtrans-122.2-52-174.2-70.9171.3000112.7I226 I314 V321 L341 L460I226-L464 HydrophobicContact CD1-CD2 4.13Å; I314-L464 HydrophobicContact CD1-CD1 3.72Å; I314-L464 HydrophobicContact CD1-CD2 3.72Å; I314-L464 HydrophobicContact CD1-CG 3.52Å; V321-L464 HydrophobicContact CG1-CD2 4.43Å; L341-L464 HydrophobicContact CD2-CD1 4.19Å; L460-L464 HydrophobicContact CD2-CD1 4.13Å; L460-L464 PolarHBondContact O-N 3.06Å
465F67.9Low62.1Low4 Ų456.7 Ų56.72%0.01831%0.305CS..Iπ-helixtrans-105.4-23.8-160.3-50.1-59.8000115.3I338 L460 Y461 I478 M495 F544I338-F465 HydrophobicContact CG2-CD1 4.38Å; I338-F465 HydrophobicContact CG2-CE1 3.99Å; L460-F465 HydrophobicContact CB-CD2 4.1Å; L460-F465 HydrophobicContact CB-CE2 3.93Å; L460-F465 WeakPolarHBondContact O-CD2 3.3Å; L460-F465 PolarHBondContact O-N 3.3Å; Y461-F465 PolarHBondContact O-N 3.21Å; F465-I478 HydrophobicContact CB-CD1 3.36Å; F465-I478 HydrophobicContact CB-CG1 3.73Å; F465-I478 HydrophobicContact CG-CD1 4.35Å; F465-M495 HydrophobicContact CD1-CE 3.76Å; F465-M495 HydrophobicContact CD1-SD 4.43Å; F465-M495 HydrophobicContact CE1-CE 3.07Å; F465-M495 HydrophobicContact CE1-SD 4.16Å; F465-M495 HydrophobicContact CE2-CE 3.97Å; F465-M495 HydrophobicContact CG-CE 4.48Å; F465-M495 HydrophobicContact CZ-CE 3.18Å; F465-F544 AromaticContact CD2-CE1 3.93Å; F465-F544 HydrophobicContact CD2-CE1 3.93Å; F465-F544 HydrophobicContact CD2-CE2 4.41Å; F465-F544 AromaticContact CD2-CZ 3.42Å; F465-F544 HydrophobicContact CD2-CZ 3.42Å; F465-F544 VanDerWaalsContact CD2-CZ 3.42Å; F465-F544 AromaticContact CE2-CE1 3.97Å; F465-F544 HydrophobicContact CE2-CE1 3.97Å; F465-F544 AromaticContact CE2-CZ 3.76Å; F465-F544 HydrophobicContact CE2-CZ 3.76Å; F465-F544 HydrophobicContact CG-CZ 4.47Å
466G59.6Low60.9Low16 Ų1657.1 Ų57.117%0.16530%0.3CS..SBendtrans-96.62.4-177.300000114.4Y461 Q468Y461-G466 WeakPolarHBondContact O-CA 3.45Å; Y461-G466 PolarHBondContact O-N 3.5Å; G466-Q468 PolarHBondContact O-N 3.42Å
467L56.4Low59.5Low28 Ų2857.1 Ų57.115%0.14730%0.3CS..SBendtrans-59.3125.4167.5-63.9168.5000107.5P318 V321 L325 A469P318-L467 HydrophobicContact CB-CD2 4.05Å; V321-L467 HydrophobicContact CB-CD1 4.44Å; V321-L467 HydrophobicContact CG1-CD1 4.23Å; L325-L467 HydrophobicContact CD1-CD1 4.2Å; L467-A469 PolarHBondContact O-N 3.39Å
468Q47.8Very low58.3Low146 Ų14658.2 Ų58.268%0.68231%0.306SS*.  trans-63.590.7163.1-79.4179.3-20.400106.2G466 I470G466-Q468 PolarHBondContact O-N 3.42Å; Q468-I470 PolarHBondContact O-N 2.96Å
469A43Very low57.4Low3 Ų356.4 Ų56.43%0.02530%0.299CS..  trans-55.9130.4151.300000104.8L467 F477L467-A469 PolarHBondContact O-N 3.39Å; A469-F477 HydrophobicContact CB-CB 3.72Å; A469-F477 HydrophobicContact CB-CD2 3.5Å; A469-F477 HydrophobicContact CB-CE2 4.43Å; A469-F477 HydrophobicContact CB-CG 3.95Å
470I45.7Very low56.1Low42 Ų4255.3 Ų55.322%0.21529%0.294CS..  trans83.6102.1149.6-53.3153.9000115.7E329 Q468 S472 I480E329-I470 VanDerWaalsContact CD-CD1 3.44Å; E329-I470 VanDerWaalsContact OE1-CD1 3.25Å; E329-I470 WeakPolarHBondContact OE1-CD1 3.48Å; E329-I470 WeakPolarHBondContact OE2-CD1 3.49Å; Q468-I470 PolarHBondContact O-N 2.96Å; I470-S472 VanDerWaalsContact CG2-N 3.29Å; I470-S472 WeakPolarHBondContact CG2-OG 3.3Å; I470-S472 PolarHBondContact O-N 2.93Å; I470-S472 VanDerWaalsContact O-N 3.11Å; I470-I480 HydrophobicContact CD1-CD1 3.32Å
471Q40.7Very low54.8Low208 Ų20856 Ų5697%0.97230%0.298SS*.THydrogen-bonded Turntrans-56.4-14.9161.6-84.8179.8-1800113.8D473Q471-D473 PolarHBondContact O-N 3.4Å
472S44.6Very low53.7Low95 Ų9555.9 Ų55.966%0.66430%0.301SS*.THydrogen-bonded Turntrans-76.8-21-170.876.90000114.2I470I470-S472 VanDerWaalsContact CG2-N 3.29Å; I470-S472 WeakPolarHBondContact CG2-OG 3.3Å; I470-S472 PolarHBondContact O-N 2.93Å; I470-S472 VanDerWaalsContact O-N 3.11Å
473D46.5Very low52.5Low106 Ų10655.2 Ų55.257%0.56730%0.299SS*.THydrogen-bonded Turntrans-146.5-0.3-173.4-113.721.8000115.7Q471 K475Q471-D473 PolarHBondContact O-N 3.4Å; D473-K475 HydrophobicContact CB-CD 4.4Å; D473-K475 HydrophobicContact CB-CG 4.49Å; D473-K475 PolarHBondContact O-N 3.32Å; D473-K475 IonicContact OD2-NZ 3.67Å; D473-K475 PolarHBondContact OD2-NZ 3.38Å
474G46.6Very low51.2Low58 Ų5859.7 Ų59.760%0.59833%0.325SS*.  trans63.83179.100000115.7
475K49.2Very low49.8Very low108 Ų10861 Ų6147%0.4733%0.331SS..  trans-80.9145.4177.5-68.4171.4-172.4145.50110.5D473 I480D473-K475 HydrophobicContact CB-CD 4.4Å; D473-K475 HydrophobicContact CB-CG 4.49Å; D473-K475 PolarHBondContact O-N 3.32Å; D473-K475 IonicContact OD2-NZ 3.67Å; D473-K475 PolarHBondContact OD2-NZ 3.38Å; K475-I480 HydrophobicContact CB-CG1 4.49Å
476R54.4Low48.5Very low103 Ų10368 Ų6839%0.38936%0.362SS..  trans-77.4155.1178.5-59.4169.2173.5-170.50.1109.5Y461 I478 D479 I480 N541Y461-R476 WeakPolarHBondContact OH-CD 3.45Å; Y461-R476 PolarHBondContact OH-NE 3.47Å; Y461-R476 VanDerWaalsContact OH-NE 3.12Å; Y461-R476 PolarHBondContact OH-NH1 3.23Å; R476-I478 VanDerWaalsContact C-N 3.3Å; R476-I478 PolarHBondContact O-N 3.46Å; R476-D479 VanDerWaalsContact CB-OD2 3.3Å; R476-D479 WeakPolarHBondContact CB-OD2 3.48Å; R476-D479 PolarHBondContact N-OD2 2.97Å; R476-D479 WeakPolarHBondContact O-CA 3.47Å; R476-D479 VanDerWaalsContact O-CB 3.3Å; R476-D479 WeakPolarHBondContact O-CB 3.2Å; R476-D479 PolarHBondContact O-N 3.06Å; R476-I480 PolarHBondContact O-N 3.27Å; R476-N541 PolarHBondContact NH1-O 2.67Å; R476-N541 VanDerWaalsContact NH1-O 3.13Å
477F53Low47.7Very low2 Ų274.7 Ų74.71%0.00939%0.394CS..Hα-helixtrans-60.6-37.8-179.2-171.8-125.5000113.4L325 E329 I338 A469 D479 I480 I481L325-F477 HydrophobicContact CB-CE1 4.23Å; L325-F477 HydrophobicContact CB-CE2 4.39Å; L325-F477 HydrophobicContact CB-CZ 3.93Å; L325-F477 HydrophobicContact CD1-CD1 4.13Å; L325-F477 HydrophobicContact CD1-CE1 3.7Å; L325-F477 HydrophobicContact CD1-CZ 4.27Å; L325-F477 HydrophobicContact CD2-CE1 3.72Å; L325-F477 HydrophobicContact CD2-CZ 3.8Å; L325-F477 HydrophobicContact CG-CE1 4.08Å; L325-F477 HydrophobicContact CG-CZ 4.2Å; E329-F477 HydrophobicContact CB-CE2 4.49Å; I338-F477 HydrophobicContact CD1-CD1 4.14Å; I338-F477 HydrophobicContact CD1-CE1 3.03Å; I338-F477 HydrophobicContact CD1-CZ 3.25Å; I338-F477 HydrophobicContact CG1-CE1 4.3Å; A469-F477 HydrophobicContact CB-CB 3.72Å; A469-F477 HydrophobicContact CB-CD2 3.5Å; A469-F477 HydrophobicContact CB-CE2 4.43Å; A469-F477 HydrophobicContact CB-CG 3.95Å; F477-D479 VanDerWaalsContact C-N 3.29Å; F477-D479 PolarHBondContact O-N 3.12Å; F477-I480 PolarHBondContact O-N 3.02Å; F477-I481 HydrophobicContact CD1-CD1 4.01Å; F477-I481 HydrophobicContact CE1-CD1 3.9Å; F477-I481 HydrophobicContact CZ-CD1 4.22Å; F477-I481 WeakPolarHBondContact O-CG1 3.41Å; F477-I481 PolarHBondContact O-N 3.46Å
478I53.4Low46.7Very low24 Ų2478.8 Ų78.812%0.12342%0.416CS..Hα-helixtrans-55.3-45.6169.5-79.2165000111.1Y461 F465 R476 I480 I481 V482Y461-I478 HydrophobicContact CD2-CD1 4.22Å; Y461-I478 HydrophobicContact CE2-CD1 4.27Å; F465-I478 HydrophobicContact CB-CD1 3.36Å; F465-I478 HydrophobicContact CB-CG1 3.73Å; F465-I478 HydrophobicContact CG-CD1 4.35Å; R476-I478 VanDerWaalsContact C-N 3.3Å; R476-I478 PolarHBondContact O-N 3.46Å; I478-I480 PolarHBondContact O-N 2.92Å; I478-I481 PolarHBondContact O-N 3.22Å; I478-I481 VanDerWaalsContact O-N 3.13Å; I478-V482 HydrophobicContact CG2-CG2 4.11Å; I478-V482 WeakPolarHBondContact O-CG2 3.37Å; I478-V482 PolarHBondContact O-N 2.67Å
479D56.9Low46.1Very low57 Ų5776.7 Ų76.731%0.30542%0.424SS..Hα-helixtrans-62-34.1-175.8-52.7-27.3000110.7R476 F477 S483R476-D479 VanDerWaalsContact CB-OD2 3.3Å; R476-D479 WeakPolarHBondContact CB-OD2 3.48Å; R476-D479 PolarHBondContact N-OD2 2.97Å; R476-D479 WeakPolarHBondContact O-CA 3.47Å; R476-D479 VanDerWaalsContact O-CB 3.3Å; R476-D479 WeakPolarHBondContact O-CB 3.2Å; R476-D479 PolarHBondContact O-N 3.06Å; F477-D479 VanDerWaalsContact C-N 3.29Å; F477-D479 PolarHBondContact O-N 3.12Å; D479-S483 WeakPolarHBondContact O-CB 3.38Å; D479-S483 PolarHBondContact O-N 3Å; D479-S483 PolarHBondContact O-OG 2.95Å
480I50.8Low45.7Very low26 Ų2683.7 Ų83.713%0.13346%0.461CS..Hα-helixtrans-71.1-42.3177.4-60.5167.8000111.4E329 I470 K475 R476 F477 I478 S483 N484E329-I480 WeakPolarHBondContact OE1-CG2 3.48Å; I470-I480 HydrophobicContact CD1-CD1 3.32Å; K475-I480 HydrophobicContact CB-CG1 4.49Å; R476-I480 PolarHBondContact O-N 3.27Å; F477-I480 PolarHBondContact O-N 3.02Å; I478-I480 PolarHBondContact O-N 2.92Å; I480-S483 WeakPolarHBondContact CA-OG 2.82Å; I480-S483 PolarHBondContact O-OG 3.08Å; I480-N484 WeakPolarHBondContact O-CB 3.28Å; I480-N484 PolarHBondContact O-N 2.86Å
481I48.5Very low45.2Very low16 Ų1684.9 Ų84.98%0.08248%0.483CS..Hα-helixtrans-64.9-41.9178.2-64.4168.2000110.8K335 I338 F477 I478K335-I481 HydrophobicContact CG-CG2 4.4Å; I338-I481 HydrophobicContact CB-CD1 4.25Å; I338-I481 HydrophobicContact CD1-CD1 3.42Å; I338-I481 VanDerWaalsContact CD1-CD1 3.42Å; I338-I481 HydrophobicContact CG1-CD1 4.47Å; I338-I481 HydrophobicContact CG2-CD1 3.98Å; F477-I481 HydrophobicContact CD1-CD1 4.01Å; F477-I481 HydrophobicContact CE1-CD1 3.9Å; F477-I481 HydrophobicContact CZ-CD1 4.22Å; F477-I481 WeakPolarHBondContact O-CG1 3.41Å; F477-I481 PolarHBondContact O-N 3.46Å; I478-I481 PolarHBondContact O-N 3.22Å; I478-I481 VanDerWaalsContact O-N 3.13Å
482V49.6Very low45Very low33 Ų3381.1 Ų81.120%0.247%0.47CS..Hα-helixtrans-74.5-45.1-179.4177.10000111.4I478 N484 N485 D548I478-V482 HydrophobicContact CG2-CG2 4.11Å; I478-V482 WeakPolarHBondContact O-CG2 3.37Å; I478-V482 PolarHBondContact O-N 2.67Å; V482-N484 VanDerWaalsContact C-N 3.3Å; V482-N484 PolarHBondContact O-N 3.14Å; V482-N485 WeakPolarHBondContact O-CB 3.36Å; V482-N485 PolarHBondContact O-N 3.41Å; V482-D548 WeakPolarHBondContact CG1-OD2 3.44Å
483S46.6Very low44.9Very low58 Ų5879 Ų7941%0.40646%0.455SS..Hα-helixtrans-61.8-36.3-179.254.90000112.9D479 I480 N485 K486D479-S483 WeakPolarHBondContact O-CB 3.38Å; D479-S483 PolarHBondContact O-N 3Å; D479-S483 PolarHBondContact O-OG 2.95Å; I480-S483 WeakPolarHBondContact CA-OG 2.82Å; I480-S483 PolarHBondContact O-OG 3.08Å; S483-N485 PolarHBondContact O-N 3.01Å; S483-N485 VanDerWaalsContact O-N 3.12Å; S483-K486 WeakPolarHBondContact O-CB 3.31Å; S483-K486 PolarHBondContact O-N 3.12Å; S483-K486 VanDerWaalsContact O-N 3.12Å
484N43.2Very low44.9Very low114 Ų11475.2 Ų75.261%0.6144%0.44SS*.THydrogen-bonded Turntrans-71.52.1173.9-82.5-27.8000114.4K335 I480 V482K335-N484 PolarHBondContact NZ-O 3.47Å; I480-N484 WeakPolarHBondContact O-CB 3.28Å; I480-N484 PolarHBondContact O-N 2.86Å; V482-N484 VanDerWaalsContact C-N 3.3Å; V482-N484 PolarHBondContact O-N 3.14Å
485N42.2Very low45.2Very low34 Ų3474.3 Ų74.318%0.18242%0.421CS..THydrogen-bonded Turntrans-98.5-6.8169.4-113.8-12.4000113.6K335 V482 S483 N487 N488 S493K335-N485 VanDerWaalsContact CE-OD1 3.31Å; K335-N485 WeakPolarHBondContact CE-OD1 3.44Å; K335-N485 VanDerWaalsContact NZ-CG 3.35Å; K335-N485 PolarHBondContact NZ-OD1 2.95Å; V482-N485 WeakPolarHBondContact O-CB 3.36Å; V482-N485 PolarHBondContact O-N 3.41Å; S483-N485 PolarHBondContact O-N 3.01Å; S483-N485 VanDerWaalsContact O-N 3.12Å; N485-N487 PolarHBondContact O-N 3.03Å; N485-N488 PolarHBondContact O-N 2.88Å; N485-S493 VanDerWaalsContact ND2-CB 3.27Å; N485-S493 WeakPolarHBondContact ND2-CB 3.34Å
486K39.6Very low45.5Very low151 Ų15169.5 Ų69.566%0.65740%0.4SS*.THydrogen-bonded Turntrans-56.4-20.6-179.7-88.1-174.7172.9-179.40114.6S483S483-K486 WeakPolarHBondContact O-CB 3.31Å; S483-K486 PolarHBondContact O-N 3.12Å; S483-K486 VanDerWaalsContact O-N 3.12Å
487N42.7Very low45.7Very low156 Ų15665 Ų6583%0.83438%0.384SS*.THydrogen-bonded Turntrans-87-9.4-179.5-69.1-13.2000114.6N485N485-N487 PolarHBondContact O-N 3.03Å
488N35.7Very low46Very low114 Ų11466.3 Ų66.361%0.6139%0.393SS*.  trans-110.2105173.6-78.5-8.7000109.1N485 D490N485-N488 PolarHBondContact O-N 2.88Å; N488-D490 PolarHBondContact O-N 3.13Å
489A35.5Very low46.6Very low103 Ų10369.9 Ų69.985%0.85141%0.409SS*.  trans-66.83.5-179.800000114.5G491A489-G491 PolarHBondContact O-N 2.91Å; A489-G491 VanDerWaalsContact O-N 3.16Å
490D35.3Very low47.1Very low150 Ų15067.2 Ų67.280%0.80240%0.395SS*.SBendtrans-8779.4178-71.7-29.9000111.1N488 D492N488-D490 PolarHBondContact O-N 3.13Å; D490-D492 PolarHBondContact O-N 2.72Å
491G35Very low47.9Very low66 Ų6666 Ų6668%0.6839%0.389SS*.SBend66.1-11.9124.200000123.3A489A489-G491 PolarHBondContact O-N 2.91Å; A489-G491 VanDerWaalsContact O-N 3.16Å
492D37Very low48.8Very low130 Ų13071.2 Ų71.270%0.69541%0.411SS*.  trans-137.617.8-164.6-141.215.2000116.9D490 G494D490-D492 PolarHBondContact O-N 2.72Å; D492-G494 PolarHBondContact O-N 3.19Å; D492-G494 VanDerWaalsContact O-N 3.1Å
493S42Very low49.9Very low51 Ų5171.6 Ų71.636%0.35741%0.412SS..  trans-87.324-153.963.60000119N485N485-S493 VanDerWaalsContact ND2-CB 3.27Å; N485-S493 WeakPolarHBondContact ND2-CB 3.34Å
494G46.3Very low51Low25 Ų2568.9 Ų68.926%0.25839%0.393SS..SBendtrans-123.6121.5172.900000110.8D492 F496 N497D492-G494 PolarHBondContact O-N 3.19Å; D492-G494 VanDerWaalsContact O-N 3.1Å; G494-F496 PolarHBondContact O-N 2.8Å; G494-N497 PolarHBondContact O-N 2.85Å
495M52.5Low52.1Low39 Ų3965.2 Ų65.219%0.19237%0.373CS..THydrogen-bonded Turntrans-44.6-29.5-176-82.2170.154.700115I338 L339 A342 F465I338-M495 HydrophobicContact CG2-CE 3.98Å; I338-M495 HydrophobicContact CG2-SD 3.53Å; I338-M495 VanDerWaalsContact CG2-SD 3.53Å; L339-M495 HydrophobicContact CD1-CG 4.39Å; A342-M495 HydrophobicContact CB-CB 3.91Å; A342-M495 HydrophobicContact CB-CE 3.25Å; A342-M495 HydrophobicContact CB-CG 3.49Å; A342-M495 VanDerWaalsContact CB-CG 3.49Å; A342-M495 HydrophobicContact CB-SD 3.91Å; F465-M495 HydrophobicContact CD1-CE 3.76Å; F465-M495 HydrophobicContact CD1-SD 4.43Å; F465-M495 HydrophobicContact CE1-CE 3.07Å; F465-M495 HydrophobicContact CE1-SD 4.16Å; F465-M495 HydrophobicContact CE2-CE 3.97Å; F465-M495 HydrophobicContact CG-CE 4.48Å; F465-M495 HydrophobicContact CZ-CE 3.18Å
496F56Low53.3Low7 Ų768.1 Ų68.13%0.03139%0.389CS..THydrogen-bonded Turntrans-145.530.4179.1-62.2-76.7000113.6A342 I345 W346 F350 G494 L500 F544A342-F496 HydrophobicContact CB-CE2 4.28Å; A342-F496 HydrophobicContact CB-CZ 4.31Å; I345-F496 HydrophobicContact CB-CZ 4.38Å; I345-F496 HydrophobicContact CG2-CZ 4.24Å; W346-F496 HydrophobicContact CB-CE1 3.91Å; W346-F496 AromaticContact CE3-CD1 3.93Å; W346-F496 HydrophobicContact CE3-CD1 3.93Å; W346-F496 HydrophobicContact CE3-CE1 4.02Å; F350-F496 HydrophobicContact CD2-CD1 4.46Å; F350-F496 AromaticContact CD2-CE1 3.8Å; F350-F496 HydrophobicContact CD2-CE1 3.8Å; F350-F496 HydrophobicContact CD2-CZ 4.4Å; F350-F496 AromaticContact CE2-CE1 3.95Å; F350-F496 HydrophobicContact CE2-CE1 3.95Å; F350-F496 HydrophobicContact CE2-CZ 4.2Å; G494-F496 PolarHBondContact O-N 2.8Å; F496-L500 HydrophobicContact CB-CB 4.47Å; F496-L500 HydrophobicContact CB-CD2 4.01Å; F496-L500 WeakPolarHBondContact O-CB 3.46Å; F496-L500 WeakPolarHBondContact O-CD2 3.12Å; F496-F544 CarbonylContact C-O 3.54Å; F496-F544 HydrophobicContact CB-CD1 4.11Å; F496-F544 AromaticContact CD2-CD1 3.57Å; F496-F544 HydrophobicContact CD2-CD1 3.57Å; F496-F544 AromaticContact CD2-CE1 3.54Å; F496-F544 HydrophobicContact CD2-CE1 3.54Å; F496-F544 HydrophobicContact CE2-CD1 4.4Å; F496-F544 AromaticContact CE2-CE1 3.93Å; F496-F544 HydrophobicContact CE2-CE1 3.93Å; F496-F544 HydrophobicContact CG-CD1 4.16Å; F496-F544 HydrophobicContact CG-CE1 4.48Å; F496-F544 VanDerWaalsContact O-O 3.14Å
497N58.2Low54.6Low10 Ų1061.4 Ų61.45%0.05336%0.362CS..SBendtrans-86.7-68.3-168.9-166.1-12.7000113.6G494 V501 T546 G584G494-N497 PolarHBondContact O-N 2.85Å; N497-V501 WeakPolarHBondContact O-CG2 3.41Å; N497-T546 PolarHBondContact ND2-O 3.26Å; N497-T546 PolarHBondContact OD1-O 2.98Å; N497-G584 WeakPolarHBondContact OD1-CA 3.47Å; N497-G584 PolarHBondContact OD1-N 3.2Å
498S59.3Low55.8Low29 Ų2955.6 Ų55.620%0.20333%0.328CS..Hα-helixtrans-91.9-39.4-170.3-84.30000114.5K502 K587S498-K502 WeakPolarHBondContact O-CB 3.39Å; S498-K502 PolarHBondContact O-N 3.31Å; S498-K502 VanDerWaalsContact O-N 3.13Å; S498-K587 PolarHBondContact OG-NZ 3Å
499E65.9Low57.3Low98 Ų9850.1 Ų50.146%0.45830%0.299SS..Hα-helixtrans-70-43-177.7-155.3-177.1-161.400110.8W346 V501 K502 D503W346-E499 HydrophobicContact CZ2-CB 4.43Å; W346-E499 HydrophobicContact CZ2-CG 4.23Å; W346-E499 PolarHBondContact NE1-OE2 3.37Å; E499-V501 PolarHBondContact O-N 3.38Å; E499-K502 PolarHBondContact O-N 3.07Å; E499-D503 WeakPolarHBondContact O-CB 3.41Å; E499-D503 PolarHBondContact O-N 3.19Å
500L68.2Low58.6Low1 Ų147.6 Ų47.61%0.00528%0.276CS..Hα-helixtrans-57-46.8174.5170.569.9000112.7W346 L354 F457 F496 D503 L504 L545W346-L500 HydrophobicContact CE3-CD1 4.48Å; W346-L500 VanDerWaalsContact CH2-CA 3.43Å; W346-L500 HydrophobicContact CH2-CB 3.9Å; W346-L500 HydrophobicContact CH2-CD1 3.86Å; W346-L500 HydrophobicContact CH2-CG 4.48Å; W346-L500 HydrophobicContact CZ3-CB 3.84Å; W346-L500 HydrophobicContact CZ3-CD1 3.4Å; W346-L500 HydrophobicContact CZ3-CG 4.19Å; L354-L500 HydrophobicContact CD1-CD1 3.83Å; F457-L500 HydrophobicContact CE1-CD2 4.28Å; F457-L500 HydrophobicContact CE2-CD2 4.1Å; F457-L500 HydrophobicContact CZ-CD2 3.43Å; F457-L500 VanDerWaalsContact CZ-CD2 3.43Å; F496-L500 HydrophobicContact CB-CB 4.47Å; F496-L500 HydrophobicContact CB-CD2 4.01Å; F496-L500 WeakPolarHBondContact O-CB 3.46Å; F496-L500 WeakPolarHBondContact O-CD2 3.12Å; L500-D503 PolarHBondContact O-N 3.47Å; L500-L504 HydrophobicContact CD1-CD1 3.88Å; L500-L504 HydrophobicContact CD1-CG 4.12Å; L500-L504 HydrophobicContact CD2-CD1 4.41Å; L500-L504 HydrophobicContact CG-CD1 3.82Å; L500-L504 HydrophobicContact CG-CG 4.46Å; L500-L504 VanDerWaalsContact O-CB 3.3Å; L500-L504 WeakPolarHBondContact O-CB 3.41Å; L500-L504 VanDerWaalsContact O-CG 3.3Å; L500-L504 WeakPolarHBondContact O-CG 3.34Å; L500-L504 PolarHBondContact O-N 3.08Å; L500-L545 HydrophobicContact CD2-CD2 3.99Å
501V65.9Low59.7Low0 Ų044.1 Ų44.10%026%0.26CS..Hα-helixtrans-68.7-38.4-178.41710000111.7N497 E499 L504 I505 L545 G584 K587 L588N497-V501 WeakPolarHBondContact O-CG2 3.41Å; E499-V501 PolarHBondContact O-N 3.38Å; V501-L504 PolarHBondContact O-N 3.45Å; V501-I505 HydrophobicContact CG1-CD1 3.78Å; V501-I505 HydrophobicContact CG1-CG1 4.38Å; V501-I505 VanDerWaalsContact O-CG1 3.27Å; V501-I505 WeakPolarHBondContact O-CG1 3.27Å; V501-I505 PolarHBondContact O-N 2.92Å; V501-L545 HydrophobicContact CG2-CD2 3.63Å; V501-G584 VanDerWaalsContact CG2-CA 3.46Å; V501-K587 HydrophobicContact CG1-CB 3.76Å; V501-K587 HydrophobicContact CG1-CD 4.36Å; V501-L588 HydrophobicContact CG1-CD2 4.13Å; V501-L588 HydrophobicContact CG1-CG 3.84Å; V501-L588 HydrophobicContact CG2-CD1 4.32Å; V501-L588 HydrophobicContact CG2-CG 4.43Å
502K68.5Low60.7Low126 Ų12641.9 Ų41.955%0.54824%0.236SC..Hα-helixtrans-60.9-49.6173.7-174.7-175.9174.6-169.90110.7S498 E499 L504 I505 D506S498-K502 WeakPolarHBondContact O-CB 3.39Å; S498-K502 PolarHBondContact O-N 3.31Å; S498-K502 VanDerWaalsContact O-N 3.13Å; E499-K502 PolarHBondContact O-N 3.07Å; K502-L504 VanDerWaalsContact C-N 3.28Å; K502-L504 PolarHBondContact O-N 2.93Å; K502-I505 PolarHBondContact O-N 2.86Å; K502-D506 WeakPolarHBondContact O-CB 3.32Å; K502-D506 PolarHBondContact O-N 3.39Å
503D71.5Confident61.7Low42 Ų4238.5 Ų38.523%0.22522%0.218CC..Hα-helixtrans-68.2-26.5179.5-76.5-0000112.7W346 L354 E499 L500 G507W346-D503 HydrophobicContact CH2-CB 4.1Å; W346-D503 HydrophobicContact CZ2-CB 4.32Å; W346-D503 VanDerWaalsContact CZ2-OD2 3.27Å; W346-D503 WeakPolarHBondContact CZ2-OD2 3.46Å; L354-D503 HydrophobicContact CD1-CB 3.94Å; E499-D503 WeakPolarHBondContact O-CB 3.41Å; E499-D503 PolarHBondContact O-N 3.19Å; L500-D503 PolarHBondContact O-N 3.47Å; D503-G507 WeakPolarHBondContact O-CA 3.43Å; D503-G507 PolarHBondContact O-N 3.35Å
504L70.2Confident62.3Low0 Ų037.5 Ų37.50%021%0.21CC..Hα-helixtrans-67.1-49.9170.8-86.9165.9000112.1L354 L453 L500 V501 K502 R508 F509L354-L504 HydrophobicContact CD2-CD2 3.54Å; L354-L504 HydrophobicContact CD2-CG 3.86Å; L453-L504 HydrophobicContact CD1-CD1 4.05Å; L453-L504 HydrophobicContact CD1-CD2 3.56Å; L453-L504 HydrophobicContact CD1-CG 4.39Å; L500-L504 HydrophobicContact CD1-CD1 3.88Å; L500-L504 HydrophobicContact CD1-CG 4.12Å; L500-L504 HydrophobicContact CD2-CD1 4.41Å; L500-L504 HydrophobicContact CG-CD1 3.82Å; L500-L504 HydrophobicContact CG-CG 4.46Å; L500-L504 VanDerWaalsContact O-CB 3.3Å; L500-L504 WeakPolarHBondContact O-CB 3.41Å; L500-L504 VanDerWaalsContact O-CG 3.3Å; L500-L504 WeakPolarHBondContact O-CG 3.34Å; L500-L504 PolarHBondContact O-N 3.08Å; V501-L504 PolarHBondContact O-N 3.45Å; K502-L504 VanDerWaalsContact C-N 3.28Å; K502-L504 PolarHBondContact O-N 2.93Å; L504-R508 PolarHBondContact O-N 3.47Å; L504-F509 HydrophobicContact CD2-CE1 4.34Å; L504-F509 WeakPolarHBondContact O-CB 3.49Å; L504-F509 PolarHBondContact O-N 3.39Å
505I66.1Low62.7Low38 Ų3839.6 Ų39.620%0.19522%0.221CC..Iπ-helixtrans-64-48.8179.5-67.8168.8000109.9V501 K502 S510 L588 W591V501-I505 HydrophobicContact CG1-CD1 3.78Å; V501-I505 HydrophobicContact CG1-CG1 4.38Å; V501-I505 VanDerWaalsContact O-CG1 3.27Å; V501-I505 WeakPolarHBondContact O-CG1 3.27Å; V501-I505 PolarHBondContact O-N 2.92Å; K502-I505 PolarHBondContact O-N 2.86Å; I505-S510 WeakPolarHBondContact O-CB 3.07Å; I505-S510 PolarHBondContact O-N 3.04Å; I505-L588 HydrophobicContact CD1-CD2 4.37Å; I505-L588 HydrophobicContact CG1-CD2 4.17Å; I505-W591 HydrophobicContact CD1-CB 4.31Å; I505-W591 HydrophobicContact CD1-CG 4.45Å
506D67.6Low62.5Low95 Ų9540.6 Ų40.651%0.50824%0.235SC..Iπ-helixtrans-73.3-31.6-177.9-69.9-18.4000112K502 S510K502-D506 WeakPolarHBondContact O-CB 3.32Å; K502-D506 PolarHBondContact O-N 3.39Å; D506-S510 WeakPolarHBondContact O-CB 3.34Å; D506-S510 PolarHBondContact O-OG 3.46Å
507G67.7Low62.3Low10 Ų1048 Ų4810%0.10327%0.27CS..Iπ-helixtrans-87.7-101.4-178.200000113.6D503 S510 V511D503-G507 WeakPolarHBondContact O-CA 3.43Å; D503-G507 PolarHBondContact O-N 3.35Å; G507-S510 PolarHBondContact O-OG 2.97Å; G507-V511 WeakPolarHBondContact O-CG2 3.48Å; G507-V511 PolarHBondContact O-N 3.29Å
508R66.4Low62Low33 Ų3351.5 Ų51.513%0.12529%0.285CS..Iπ-helixtrans-67.8-36.9-168.8-70.3-72.6-176.6178.70.1113.6W353 L504 V511 G512W353-R508 PolarHBondContact O-NE 2.81Å; W353-R508 VanDerWaalsContact O-NE 3.15Å; W353-R508 PolarHBondContact O-NH2 2.84Å; L504-R508 PolarHBondContact O-N 3.47Å; R508-V511 PolarHBondContact O-N 3.27Å; R508-G512 PolarHBondContact O-N 3.04Å
509F67.1Low61.7Low0 Ų052.3 Ų52.30%029%0.287CS..Iπ-helixtrans-75.4-27.8-177.6-72.412000112I446 C450 L504 V511 L513 V532 L535 L588 W591I446-F509 HydrophobicContact CG2-CE1 4.28Å; C450-F509 VanDerWaalsContact SG-CZ 3.53Å; L504-F509 HydrophobicContact CD2-CE1 4.34Å; L504-F509 WeakPolarHBondContact O-CB 3.49Å; L504-F509 PolarHBondContact O-N 3.39Å; F509-V511 VanDerWaalsContact C-N 3.3Å; F509-L513 WeakPolarHBondContact O-CG 3.31Å; F509-L513 PolarHBondContact O-N 3.06Å; F509-V532 HydrophobicContact CE2-CG1 4.4Å; F509-V532 HydrophobicContact CE2-CG2 3.98Å; F509-V532 HydrophobicContact CZ-CG2 4.23Å; F509-L535 HydrophobicContact CZ-CD2 4.2Å; F509-L588 HydrophobicContact CD2-CD2 4.36Å; F509-L588 HydrophobicContact CE2-CD2 3.89Å; F509-W591 HydrophobicContact CB-CH2 4.34Å; F509-W591 HydrophobicContact CB-CZ2 4.25Å; F509-W591 HydrophobicContact CD2-CE3 4.5Å; F509-W591 HydrophobicContact CD2-CH2 4.06Å; F509-W591 HydrophobicContact CD2-CZ3 4.06Å
510S62.8Low60.9Low50 Ų5055.1 Ų55.135%0.3530%0.299SS..Hα-helixtrans-67.3-31.8171.476.30000112.6I505 D506 G507I505-S510 WeakPolarHBondContact O-CB 3.07Å; I505-S510 PolarHBondContact O-N 3.04Å; D506-S510 WeakPolarHBondContact O-CB 3.34Å; D506-S510 PolarHBondContact O-OG 3.46Å; G507-S510 PolarHBondContact O-OG 2.97Å
511V58.7Low60.4Low77 Ų7761.2 Ų61.247%0.46733%0.326SS..Hα-helixtrans-80.5-37.4179.7178.60000111.9K356 L445 G507 R508 F509 L513K356-V511 HydrophobicContact CD-CG2 4.11Å; K356-V511 HydrophobicContact CG-CG2 4.16Å; L445-V511 HydrophobicContact CD2-CG1 4.37Å; G507-V511 WeakPolarHBondContact O-CG2 3.48Å; G507-V511 PolarHBondContact O-N 3.29Å; R508-V511 PolarHBondContact O-N 3.27Å; F509-V511 VanDerWaalsContact C-N 3.3Å; V511-L513 VanDerWaalsContact C-N 3.29Å; V511-L513 PolarHBondContact O-N 2.96Å
512G56.3Low59.9Low18 Ų1865.6 Ų65.619%0.18636%0.357CS..SBendtrans-80.6-1-178.600000115.3I446 R508 P514I446-G512 WeakPolarHBondContact CD1-O 3.43Å; R508-G512 PolarHBondContact O-N 3.04Å; G512-P514 WeakPolarHBondContact O-CD 3.4Å
513L57.8Low59.5Low59 Ų5966.6 Ų66.631%0.30936%0.363SS..PPolyproline II helixtrans-68.4121.8175.7-85.7158.1000109.4F509 V511 L519 W591 L595F509-L513 WeakPolarHBondContact O-CG 3.31Å; F509-L513 PolarHBondContact O-N 3.06Å; V511-L513 VanDerWaalsContact C-N 3.29Å; V511-L513 PolarHBondContact O-N 2.96Å; L513-L519 HydrophobicContact CD2-CD1 4.36Å; L513-W591 HydrophobicContact CD1-CZ2 4.26Å; L513-W591 HydrophobicContact CD2-CZ2 4.35Å; L513-W591 HydrophobicContact CG-CZ2 4.44Å; L513-L595 HydrophobicContact CD2-CD2 4.19Å
514P54.7Low59Low30 Ų3066.4 Ų66.420%0.19536%0.362CS..PPolyproline II helixtrans-57.2162176.9-18.126.7000111.8G512 K518 L519 I524 I528G512-P514 WeakPolarHBondContact O-CD 3.4Å; P514-K518 HydrophobicContact CB-CB 3.51Å; P514-K518 HydrophobicContact CB-CD 4.24Å; P514-K518 HydrophobicContact CB-CG 4.49Å; P514-L519 HydrophobicContact CB-CG 4.42Å; P514-L519 HydrophobicContact CG-CG 4.42Å; P514-L519 WeakPolarHBondContact O-CD1 3.36Å; P514-I524 HydrophobicContact CG-CG2 3.77Å; P514-I528 HydrophobicContact CG-CD1 4.39Å
515S55.4Low58.7Low70 Ų7069.7 Ų69.749%0.4938%0.378SS..PPolyproline II helixtrans-53.2154.8169.370.80000111.1E517 K518 L519S515-E517 PolarHBondContact O-N 3.04Å; S515-K518 PolarHBondContact O-N 3.45Å; S515-K518 PolarHBondContact OG-N 3.1Å; S515-L519 PolarHBondContact O-N 3.43Å; S515-L519 VanDerWaalsContact O-N 3.11Å
516A49.2Very low58.5Low59 Ų5970 Ų7049%0.48839%0.387SS..THydrogen-bonded Turntrans-53.9-31.4-179.300000113H520A516-H520 PolarHBondContact O-CD2 3.46Å
517E49.9Very low58.5Low164 Ų16469 Ų6977%0.76638%0.384SS*.THydrogen-bonded Turntrans-70-45.6174.6-74.9-177.2167.900112.9S515 L519 H520S515-E517 PolarHBondContact O-N 3.04Å; E517-L519 VanDerWaalsContact C-N 3.3Å; E517-L519 PolarHBondContact O-N 3.16Å; E517-H520 WeakPolarHBondContact O-CB 3.28Å; E517-H520 PolarHBondContact O-N 3.31Å
518K53.3Low58.4Low82 Ų8269.6 Ų69.636%0.35739%0.385SS..G310 helixtrans-63.5-35.9178.7-78.2-170.3173.8-166.60111.6D443 P514 S515 H520 K521 I524D443-K518 IonicContact OD1-NZ 3.82Å; D443-K518 PolarHBondContact OD1-NZ 3.23Å; P514-K518 HydrophobicContact CB-CB 3.51Å; P514-K518 HydrophobicContact CB-CD 4.24Å; P514-K518 HydrophobicContact CB-CG 4.49Å; S515-K518 PolarHBondContact O-N 3.45Å; S515-K518 PolarHBondContact OG-N 3.1Å; K518-H520 PolarHBondContact O-N 2.95Å; K518-K521 PolarHBondContact O-N 3.46Å; K518-I524 HydrophobicContact CB-CD1 4.2Å
519L52.4Low58.5Low47 Ų4769.8 Ų69.825%0.24639%0.39CS..G310 helixtrans-61.8-11.6176.4-93.2152.2000114.8L513 P514 S515 E517 K521 I525L513-L519 HydrophobicContact CD2-CD1 4.36Å; P514-L519 HydrophobicContact CB-CG 4.42Å; P514-L519 HydrophobicContact CG-CG 4.42Å; P514-L519 WeakPolarHBondContact O-CD1 3.36Å; S515-L519 PolarHBondContact O-N 3.43Å; S515-L519 VanDerWaalsContact O-N 3.11Å; E517-L519 VanDerWaalsContact C-N 3.3Å; E517-L519 PolarHBondContact O-N 3.16Å; L519-K521 VanDerWaalsContact C-N 3.3Å; L519-I525 HydrophobicContact CD2-CD1 4.42Å; L519-I525 HydrophobicContact CD2-CG1 4.13Å; L519-I525 WeakPolarHBondContact O-CD1 3.28Å
520H49.9Very low58.6Low156 Ų15676.3 Ų76.372%0.72242%0.42SS*.G310 helixtrans-72.5-21.6171.6-76.6-78000113.5A516 E517 K518 S522A516-H520 PolarHBondContact O-CD2 3.46Å; E517-H520 WeakPolarHBondContact O-CB 3.28Å; E517-H520 PolarHBondContact O-N 3.31Å; K518-H520 PolarHBondContact O-N 2.95Å; H520-S522 PolarHBondContact O-N 3.02Å
521K58.1Low58.9Low129 Ų12975.1 Ų75.156%0.56141%0.411SS*.  trans-76.8116.3179.9-64.3-174.7-179.6-178.30109.8K518 L519 E523 I524K518-K521 PolarHBondContact O-N 3.46Å; L519-K521 VanDerWaalsContact C-N 3.3Å; K521-E523 PolarHBondContact O-N 3.31Å; K521-E523 VanDerWaalsContact O-N 3.16Å; K521-I524 HydrophobicContact CB-CD1 4.09Å; K521-I524 HydrophobicContact CB-CG1 4.17Å; K521-I524 HydrophobicContact CD-CD1 4.22Å; K521-I524 PolarHBondContact O-N 3.29Å; K521-I524 VanDerWaalsContact O-N 3.16Å
522S54.8Low59.7Low93 Ų9371.5 Ų71.565%0.6539%0.389SS*.Hα-helixtrans-58.8-30.7-176.7101.70000113H520 I524 I525 A526H520-S522 PolarHBondContact O-N 3.02Å; S522-I524 VanDerWaalsContact C-N 3.34Å; S522-I524 PolarHBondContact O-N 2.7Å; S522-I525 PolarHBondContact O-N 2.88Å; S522-A526 PolarHBondContact O-N 3.09Å
523E59.3Low60.4Low147 Ų14774.2 Ų74.269%0.68740%0.399SS*.Hα-helixtrans-60.4-41.5179.4-66168.4-177.600111.9K521 A526 T527K521-E523 PolarHBondContact O-N 3.31Å; K521-E523 VanDerWaalsContact O-N 3.16Å; E523-A526 PolarHBondContact O-N 3.48Å; E523-T527 PolarHBondContact O-N 2.87Å; E523-T527 PolarHBondContact O-OG1 3.16Å; E523-T527 VanDerWaalsContact O-OG1 3.1Å
524I61.2Low61.1Low38 Ų3878.7 Ų78.720%0.19541%0.412CS..Hα-helixtrans-68.9-41.8-178-60.7178.7000110.6P514 K518 K521 S522 A526 T527 I528P514-I524 HydrophobicContact CG-CG2 3.77Å; K518-I524 HydrophobicContact CB-CD1 4.2Å; K521-I524 HydrophobicContact CB-CD1 4.09Å; K521-I524 HydrophobicContact CB-CG1 4.17Å; K521-I524 HydrophobicContact CD-CD1 4.22Å; K521-I524 PolarHBondContact O-N 3.29Å; K521-I524 VanDerWaalsContact O-N 3.16Å; S522-I524 VanDerWaalsContact C-N 3.34Å; S522-I524 PolarHBondContact O-N 2.7Å; I524-A526 VanDerWaalsContact C-N 3.32Å; I524-A526 PolarHBondContact O-N 2.93Å; I524-T527 PolarHBondContact O-N 3.12Å; I524-I528 HydrophobicContact CG2-CD1 3.81Å; I524-I528 HydrophobicContact CG2-CG1 4.46Å; I524-I528 WeakPolarHBondContact O-CB 3.5Å; I524-I528 VanDerWaalsContact O-CG1 3.28Å; I524-I528 WeakPolarHBondContact O-CG1 3.41Å; I524-I528 PolarHBondContact O-N 3.34Å
525I63.8Low62.1Low68 Ų6877.3 Ų77.335%0.34940%0.403SS..Hα-helixtrans-63-41176-67.5175.4000110.5L519 S522 T529L519-I525 HydrophobicContact CD2-CD1 4.42Å; L519-I525 HydrophobicContact CD2-CG1 4.13Å; L519-I525 WeakPolarHBondContact O-CD1 3.28Å; S522-I525 PolarHBondContact O-N 2.88Å; I525-T529 VanDerWaalsContact O-CB 3.31Å; I525-T529 WeakPolarHBondContact O-CB 3.19Å; I525-T529 PolarHBondContact O-N 2.88Å; I525-T529 PolarHBondContact O-OG1 2.78Å
526A63.1Low62.8Low46 Ų4674 Ų7438%0.3838%0.379SS..Hα-helixtrans-63.2-47.2179.100000111.9S522 E523 I524 T529 Q530S522-A526 PolarHBondContact O-N 3.09Å; E523-A526 PolarHBondContact O-N 3.48Å; I524-A526 VanDerWaalsContact C-N 3.32Å; I524-A526 PolarHBondContact O-N 2.93Å; A526-T529 PolarHBondContact O-N 2.88Å; A526-Q530 WeakPolarHBondContact O-CG 3.31Å; A526-Q530 PolarHBondContact O-N 3.19Å
527T66Low63.9Low73 Ų7374 Ų7445%0.44838%0.376SS..Hα-helixtrans-62.2-47.7178.3-55.30000111.7E523 I524 T529 Q530 V531E523-T527 PolarHBondContact O-N 2.87Å; E523-T527 PolarHBondContact O-OG1 3.16Å; E523-T527 VanDerWaalsContact O-OG1 3.1Å; I524-T527 PolarHBondContact O-N 3.12Å; T527-T529 VanDerWaalsContact C-N 3.28Å; T527-T529 PolarHBondContact O-N 3Å; T527-Q530 PolarHBondContact O-N 3.03Å; T527-V531 WeakPolarHBondContact O-CG2 3.42Å; T527-V531 PolarHBondContact O-N 3.26Å
528I65.8Low64.7Low22 Ų2267.7 Ų67.711%0.11335%0.347CS..Hα-helixtrans-58-44.6177-68.8170.7000110.4I446 P514 I524 V531 V532I446-I528 HydrophobicContact CD1-CD1 4.18Å; I446-I528 HydrophobicContact CD1-CG1 4.26Å; I446-I528 HydrophobicContact CD1-CG2 4.39Å; P514-I528 HydrophobicContact CG-CD1 4.39Å; I524-I528 HydrophobicContact CG2-CD1 3.81Å; I524-I528 HydrophobicContact CG2-CG1 4.46Å; I524-I528 WeakPolarHBondContact O-CB 3.5Å; I524-I528 VanDerWaalsContact O-CG1 3.28Å; I524-I528 WeakPolarHBondContact O-CG1 3.41Å; I524-I528 PolarHBondContact O-N 3.34Å; I528-V531 PolarHBondContact O-N 3.32Å; I528-V532 HydrophobicContact CG2-CG2 4.4Å; I528-V532 VanDerWaalsContact O-CG2 3.28Å; I528-V532 WeakPolarHBondContact O-CG2 3.36Å; I528-V532 PolarHBondContact O-N 2.85Å
529T69.5Low65.4Low37 Ų3763.9 Ų63.923%0.22733%0.33CS..Hα-helixtrans-62-47.3179.9-56.60000111.3I525 A526 T527 V531 V532 L533 I592I525-T529 VanDerWaalsContact O-CB 3.31Å; I525-T529 WeakPolarHBondContact O-CB 3.19Å; I525-T529 PolarHBondContact O-N 2.88Å; I525-T529 PolarHBondContact O-OG1 2.78Å; A526-T529 PolarHBondContact O-N 2.88Å; T527-T529 VanDerWaalsContact C-N 3.28Å; T527-T529 PolarHBondContact O-N 3Å; T529-V531 PolarHBondContact O-N 2.98Å; T529-V532 PolarHBondContact O-N 3.11Å; T529-L533 HydrophobicContact CG2-CD1 3.84Å; T529-L533 HydrophobicContact CG2-CG 4.31Å; T529-L533 WeakPolarHBondContact O-CB 3.39Å; T529-L533 WeakPolarHBondContact O-CG 3.35Å; T529-L533 PolarHBondContact O-N 2.58Å; T529-I592 HydrophobicContact CG2-CD1 4.48Å; T529-I592 HydrophobicContact CG2-CG2 4.06Å
530Q68.4Low66.1Low138 Ų13866.5 Ų66.565%0.64534%0.337SS*.Hα-helixtrans-61.5-44.2179.9-74.8-179.6-6.900112.8A526 T527 L533 R534A526-Q530 WeakPolarHBondContact O-CG 3.31Å; A526-Q530 PolarHBondContact O-N 3.19Å; T527-Q530 PolarHBondContact O-N 3.03Å; Q530-L533 PolarHBondContact O-N 2.75Å; Q530-R534 PolarHBondContact O-N 3.43Å; Q530-R534 VanDerWaalsContact O-N 3.08Å
531V69.4Low66.8Low25 Ų2564.2 Ų64.215%0.15233%0.33CS..Hα-helixtrans-62.6-47.4178.21680000111.2I446 C450 T527 I528 T529 L533 R534 L535I446-V531 HydrophobicContact CG2-CG1 4.5Å; C450-V531 HydrophobicContact CB-CG1 3.44Å; C450-V531 VanDerWaalsContact CB-CG1 3.44Å; T527-V531 WeakPolarHBondContact O-CG2 3.42Å; T527-V531 PolarHBondContact O-N 3.26Å; I528-V531 PolarHBondContact O-N 3.32Å; T529-V531 PolarHBondContact O-N 2.98Å; V531-L533 VanDerWaalsContact C-N 3.34Å; V531-L533 PolarHBondContact O-N 2.75Å; V531-R534 WeakPolarHBondContact O-CB 3.36Å; V531-R534 PolarHBondContact O-N 3.13Å; V531-L535 PolarHBondContact O-N 2.8Å
532V74.6Confident66.9Low0 Ų058.5 Ų58.50%031%0.306CS..Hα-helixtrans-67.4-37.3-179176.50000110.8I446 F509 I528 T529 R534 L535 I536 L588 W591 I592I446-V532 HydrophobicContact CG2-CG2 4.38Å; F509-V532 HydrophobicContact CE2-CG1 4.4Å; F509-V532 HydrophobicContact CE2-CG2 3.98Å; F509-V532 HydrophobicContact CZ-CG2 4.23Å; I528-V532 HydrophobicContact CG2-CG2 4.4Å; I528-V532 VanDerWaalsContact O-CG2 3.28Å; I528-V532 WeakPolarHBondContact O-CG2 3.36Å; I528-V532 PolarHBondContact O-N 2.85Å; T529-V532 PolarHBondContact O-N 3.11Å; V532-R534 VanDerWaalsContact C-N 3.3Å; V532-R534 PolarHBondContact O-N 3.37Å; V532-L535 WeakPolarHBondContact O-CB 3.22Å; V532-L535 PolarHBondContact O-N 3.25Å; V532-I536 HydrophobicContact CG1-CD1 4.05Å; V532-I536 HydrophobicContact CG1-CG1 4.45Å; V532-I536 VanDerWaalsContact O-CG1 3.31Å; V532-I536 WeakPolarHBondContact O-CG1 3.33Å; V532-I536 PolarHBondContact O-N 2.96Å; V532-L588 HydrophobicContact CG1-CB 4.45Å; V532-W591 HydrophobicContact CG2-CZ3 4.4Å; V532-I592 HydrophobicContact CB-CD1 4.2Å; V532-I592 HydrophobicContact CG1-CD1 3.84Å; V532-I592 HydrophobicContact CG1-CG1 4.41Å
533L72.6Confident67.2Low75 Ų7555 Ų5539%0.39329%0.285SS..Hα-helixtrans-61.5-36.1173.2-74.4172.2000112.5T529 Q530 V531 I536 S537 I592T529-L533 HydrophobicContact CG2-CD1 3.84Å; T529-L533 HydrophobicContact CG2-CG 4.31Å; T529-L533 WeakPolarHBondContact O-CB 3.39Å; T529-L533 WeakPolarHBondContact O-CG 3.35Å; T529-L533 PolarHBondContact O-N 2.58Å; Q530-L533 PolarHBondContact O-N 2.75Å; V531-L533 VanDerWaalsContact C-N 3.34Å; V531-L533 PolarHBondContact O-N 2.75Å; L533-I536 HydrophobicContact CD2-CD1 4.42Å; L533-I536 PolarHBondContact O-N 3.34Å; L533-S537 WeakPolarHBondContact O-CB 3.42Å; L533-S537 PolarHBondContact O-N 2.91Å; L533-I592 HydrophobicContact CD2-CD1 4.47Å; L533-I592 HydrophobicContact CG-CD1 4.49Å
534R72.6Confident67.4Low154 Ų15448.5 Ų48.558%0.58125%0.254SS*.Hα-helixtrans-64.9-43.6174.5-172.4176.1-178.2176.2-0.3112Q530 V531 V532 I536 S537 I538Q530-R534 PolarHBondContact O-N 3.43Å; Q530-R534 VanDerWaalsContact O-N 3.08Å; V531-R534 WeakPolarHBondContact O-CB 3.36Å; V531-R534 PolarHBondContact O-N 3.13Å; V532-R534 VanDerWaalsContact C-N 3.3Å; V532-R534 PolarHBondContact O-N 3.37Å; R534-I536 VanDerWaalsContact C-N 3.34Å; R534-S537 PolarHBondContact O-N 3.47Å; R534-I538 HydrophobicContact CG-CD1 4.09Å; R534-I538 PolarHBondContact O-N 3.34Å
535L75Confident67.4Low1 Ų146.7 Ų46.71%0.00525%0.245CC..Hα-helixtrans-60.2-44.7173.7176.765.5000111.1C450 L453 F457 F509 V531 V532 I538 G539 L545C450-L535 HydrophobicContact CB-CB 4.35Å; L453-L535 HydrophobicContact CB-CD1 3.84Å; L453-L535 HydrophobicContact CD1-CD1 4.46Å; L453-L535 HydrophobicContact CD1-CD2 4.33Å; F457-L535 HydrophobicContact CE2-CD1 4.46Å; F509-L535 HydrophobicContact CZ-CD2 4.2Å; V531-L535 PolarHBondContact O-N 2.8Å; V532-L535 WeakPolarHBondContact O-CB 3.22Å; V532-L535 PolarHBondContact O-N 3.25Å; L535-I538 PolarHBondContact O-N 2.91Å; L535-G539 PolarHBondContact O-N 3.15Å; L535-L545 HydrophobicContact CD1-CD1 4.4Å; L535-L545 HydrophobicContact CG-CD1 4.01Å
536I70.9Confident67.1Low1 Ų145.5 Ų45.51%0.00524%0.241CC..Hα-helixtrans-59.8-46.8176.2-70.4167.9000110.8V532 L533 R534 G539 R540 A585 L588 N589 I592V532-I536 HydrophobicContact CG1-CD1 4.05Å; V532-I536 HydrophobicContact CG1-CG1 4.45Å; V532-I536 VanDerWaalsContact O-CG1 3.31Å; V532-I536 WeakPolarHBondContact O-CG1 3.33Å; V532-I536 PolarHBondContact O-N 2.96Å; L533-I536 HydrophobicContact CD2-CD1 4.42Å; L533-I536 PolarHBondContact O-N 3.34Å; R534-I536 VanDerWaalsContact C-N 3.34Å; I536-G539 PolarHBondContact O-N 3.28Å; I536-R540 HydrophobicContact CG2-CG 4.39Å; I536-R540 WeakPolarHBondContact O-CB 3.23Å; I536-R540 VanDerWaalsContact O-CG 3.32Å; I536-R540 WeakPolarHBondContact O-CG 3.45Å; I536-R540 PolarHBondContact O-N 3.28Å; I536-A585 HydrophobicContact CG2-CB 3.72Å; I536-L588 HydrophobicContact CD1-CB 3.71Å; I536-L588 HydrophobicContact CG1-CB 3.95Å; I536-L588 HydrophobicContact CG1-CD1 3.96Å; I536-N589 WeakPolarHBondContact CD1-OD1 3.44Å; I536-I592 HydrophobicContact CD1-CD1 4.36Å
537S70.7Confident66.6Low59 Ų5945.8 Ų45.841%0.41324%0.236SC..Hα-helixtrans-59.7-48.7179.9178.30000111.9L533 R534 R540 N541L533-S537 WeakPolarHBondContact O-CB 3.42Å; L533-S537 PolarHBondContact O-N 2.91Å; R534-S537 PolarHBondContact O-N 3.47Å; S537-R540 PolarHBondContact O-N 3.06Å; S537-N541 PolarHBondContact O-N 3.49Å; S537-N541 PolarHBondContact O-ND2 2.76Å
538I68.2Low65.5Low31 Ų3145.4 Ų45.416%0.15923%0.231CC..Hα-helixtrans-72-39.1-178.1-65.9167.8000110.7T454 R534 L535 R540 N541 T542T454-I538 HydrophobicContact CG2-CB 4.12Å; T454-I538 HydrophobicContact CG2-CD1 3.14Å; T454-I538 HydrophobicContact CG2-CG1 4.16Å; T454-I538 HydrophobicContact CG2-CG2 3.93Å; R534-I538 HydrophobicContact CG-CD1 4.09Å; R534-I538 PolarHBondContact O-N 3.34Å; L535-I538 PolarHBondContact O-N 2.91Å; I538-R540 VanDerWaalsContact C-N 3.33Å; I538-R540 PolarHBondContact O-N 3.02Å; I538-N541 PolarHBondContact O-N 3.27Å; I538-T542 HydrophobicContact CG2-CG2 4.23Å; I538-T542 WeakPolarHBondContact O-CB 3.29Å; I538-T542 WeakPolarHBondContact O-CG2 3.37Å; I538-T542 PolarHBondContact O-N 3.11Å; I538-T542 PolarHBondContact O-OG1 3.39Å
539G67.3Low64.3Low1 Ų150.1 Ų50.11%0.0126%0.257CS..Hα-helixtrans-62.2-35.8173.200000113.5L535 I536 T542 G543 F544 L545L535-G539 PolarHBondContact O-N 3.15Å; I536-G539 PolarHBondContact O-N 3.28Å; G539-T542 WeakPolarHBondContact CA-OG1 3.46Å; G539-T542 PolarHBondContact O-OG1 3.06Å; G539-G543 CarbonylContact O-C 3.53Å; G539-G543 PolarHBondContact O-N 3.21Å; G539-F544 PolarHBondContact O-N 3.06Å; G539-L545 PolarHBondContact O-N 3.19Å
540R67.7Low62.6Low103 Ų10350.4 Ų50.439%0.38927%0.267SS..Hα-helixtrans-67.1-48.3171.5-80.2179.4172.4146.9-2.1111.6I536 S537 I538 T542 G543 D547 A585 N589I536-R540 HydrophobicContact CG2-CG 4.39Å; I536-R540 WeakPolarHBondContact O-CB 3.23Å; I536-R540 VanDerWaalsContact O-CG 3.32Å; I536-R540 WeakPolarHBondContact O-CG 3.45Å; I536-R540 PolarHBondContact O-N 3.28Å; S537-R540 PolarHBondContact O-N 3.06Å; I538-R540 VanDerWaalsContact C-N 3.33Å; I538-R540 PolarHBondContact O-N 3.02Å; R540-T542 VanDerWaalsContact C-N 3.28Å; R540-T542 PolarHBondContact O-N 2.83Å; R540-G543 PolarHBondContact O-N 2.99Å; R540-D547 IonicContact CZ-OD2 2.71Å; R540-D547 IonicContact NE-OD2 2.83Å; R540-D547 PolarHBondContact NE-OD2 3.04Å; R540-D547 IonicContact NH2-OD2 2.59Å; R540-D547 PolarHBondContact NH2-OD2 3.37Å; R540-A585 HydrophobicContact CG-CB 3.93Å; R540-N589 PolarHBondContact NH2-ND2 3.23Å; R540-N589 VanDerWaalsContact NH2-ND2 3.15Å
541N63.5Low60.7Low108 Ų10854.2 Ų54.258%0.57828%0.277SS*.Hα-helixtrans-62.7-34.8-177.7-72-16000113.4R476 S537 I538R476-N541 PolarHBondContact NH1-O 2.67Å; R476-N541 VanDerWaalsContact NH1-O 3.13Å; S537-N541 PolarHBondContact O-N 3.49Å; S537-N541 PolarHBondContact O-ND2 2.76Å; I538-N541 PolarHBondContact O-N 3.27Å
542T61Low58.6Low8 Ų861.1 Ų61.15%0.04931%0.308CS..Hα-helixtrans-88.4-10.5-179.352.10000113.5Y461 I538 G539 R540 F544Y461-T542 WeakPolarHBondContact CD2-O 3.43Å; Y461-T542 VanDerWaalsContact CE2-O 3.25Å; Y461-T542 WeakPolarHBondContact CE2-O 3.45Å; Y461-T542 HydrophobicContact CG-CG2 4.12Å; I538-T542 HydrophobicContact CG2-CG2 4.23Å; I538-T542 WeakPolarHBondContact O-CB 3.29Å; I538-T542 WeakPolarHBondContact O-CG2 3.37Å; I538-T542 PolarHBondContact O-N 3.11Å; I538-T542 PolarHBondContact O-OG1 3.39Å; G539-T542 WeakPolarHBondContact CA-OG1 3.46Å; G539-T542 PolarHBondContact O-OG1 3.06Å; R540-T542 VanDerWaalsContact C-N 3.28Å; R540-T542 PolarHBondContact O-N 2.83Å; T542-F544 VanDerWaalsContact C-N 3.34Å; T542-F544 WeakPolarHBondContact OG1-CD2 3.44Å
543G61.2Low56.2Low20 Ų2066.3 Ų66.321%0.20634%0.344CS..THydrogen-bonded Turntrans86.8-3.6-178.600000115.2G539 R540 T546G539-G543 CarbonylContact O-C 3.53Å; G539-G543 PolarHBondContact O-N 3.21Å; R540-G543 PolarHBondContact O-N 2.99Å; G543-T546 VanDerWaalsContact CA-CG2 3.42Å; G543-T546 WeakPolarHBondContact O-CG2 3.42Å; G543-T546 PolarHBondContact O-OG1 3.16Å
544F62.8Low54Low10 Ų1067.1 Ų67.14%0.04436%0.356CS..THydrogen-bonded Turntrans-79.4-33.9-174.1-76-74.3000114.3F457 L460 F465 F496 G539 T542F457-F544 HydrophobicContact CB-CD2 3.63Å; F457-F544 HydrophobicContact CB-CE2 3.94Å; F457-F544 HydrophobicContact CB-CG 4.3Å; F457-F544 HydrophobicContact CD1-CB 4.28Å; F457-F544 HydrophobicContact CD1-CD1 4.04Å; F457-F544 AromaticContact CD1-CD2 3.92Å; F457-F544 HydrophobicContact CD1-CD2 3.92Å; F457-F544 HydrophobicContact CD1-CE1 4.27Å; F457-F544 HydrophobicContact CD1-CE2 4.18Å; F457-F544 AromaticContact CD1-CG 3.84Å; F457-F544 HydrophobicContact CD1-CG 3.84Å; F457-F544 HydrophobicContact CD1-CZ 4.31Å; F457-F544 HydrophobicContact CD2-CB 4.34Å; F457-F544 HydrophobicContact CE1-CD1 4.36Å; F457-F544 HydrophobicContact CE1-CG 4.4Å; F457-F544 HydrophobicContact CG-CB 4.19Å; F457-F544 AromaticContact CG-CD2 3.86Å; F457-F544 HydrophobicContact CG-CD2 3.86Å; F457-F544 HydrophobicContact CG-CE2 4.36Å; F457-F544 HydrophobicContact CG-CG 4.02Å; F457-F544 VanDerWaalsContact O-CE2 3.22Å; F457-F544 WeakPolarHBondContact O-CE2 3.4Å; L460-F544 HydrophobicContact CB-CE2 4.49Å; L460-F544 HydrophobicContact CB-CZ 3.92Å; F465-F544 AromaticContact CD2-CE1 3.93Å; F465-F544 HydrophobicContact CD2-CE1 3.93Å; F465-F544 HydrophobicContact CD2-CE2 4.41Å; F465-F544 AromaticContact CD2-CZ 3.42Å; F465-F544 HydrophobicContact CD2-CZ 3.42Å; F465-F544 VanDerWaalsContact CD2-CZ 3.42Å; F465-F544 AromaticContact CE2-CE1 3.97Å; F465-F544 HydrophobicContact CE2-CE1 3.97Å; F465-F544 AromaticContact CE2-CZ 3.76Å; F465-F544 HydrophobicContact CE2-CZ 3.76Å; F465-F544 HydrophobicContact CG-CZ 4.47Å; F496-F544 CarbonylContact C-O 3.54Å; F496-F544 HydrophobicContact CB-CD1 4.11Å; F496-F544 AromaticContact CD2-CD1 3.57Å; F496-F544 HydrophobicContact CD2-CD1 3.57Å; F496-F544 AromaticContact CD2-CE1 3.54Å; F496-F544 HydrophobicContact CD2-CE1 3.54Å; F496-F544 HydrophobicContact CE2-CD1 4.4Å; F496-F544 AromaticContact CE2-CE1 3.93Å; F496-F544 HydrophobicContact CE2-CE1 3.93Å; F496-F544 HydrophobicContact CG-CD1 4.16Å; F496-F544 HydrophobicContact CG-CE1 4.48Å; F496-F544 VanDerWaalsContact O-O 3.14Å; G539-F544 PolarHBondContact O-N 3.06Å; T542-F544 VanDerWaalsContact C-N 3.34Å; T542-F544 WeakPolarHBondContact OG1-CD2 3.44Å
545L62.1Low51.7Low0 Ų066.8 Ų66.80%037%0.366CS..THydrogen-bonded Turntrans-113.241.8178.1-60.1179.1000110.5L500 V501 L535 G539 A585 L588L500-L545 HydrophobicContact CD2-CD2 3.99Å; V501-L545 HydrophobicContact CG2-CD2 3.63Å; L535-L545 HydrophobicContact CD1-CD1 4.4Å; L535-L545 HydrophobicContact CG-CD1 4.01Å; G539-L545 PolarHBondContact O-N 3.19Å; L545-A585 HydrophobicContact CB-CB 4.43Å; L545-A585 WeakPolarHBondContact O-CB 3.43Å; L545-A585 PolarHBondContact O-N 3.22Å; L545-L588 HydrophobicContact CD1-CD1 4.13Å
546T57.5Low49.3Very low43 Ų4373.6 Ų73.626%0.26440%0.397SS..  trans-69.2142.1-174.246.40000112.8N497 G543 D548 G583N497-T546 PolarHBondContact ND2-O 3.26Å; N497-T546 PolarHBondContact OD1-O 2.98Å; G543-T546 VanDerWaalsContact CA-CG2 3.42Å; G543-T546 WeakPolarHBondContact O-CG2 3.42Å; G543-T546 PolarHBondContact O-OG1 3.16Å; T546-D548 VanDerWaalsContact C-N 3.33Å; T546-D548 PolarHBondContact O-N 3.36Å; T546-G583 WeakPolarHBondContact O-CA 3.37Å
547D51.9Low47.1Very low53 Ų5380.7 Ų80.728%0.28343%0.434SS..  trans-8187.4163.3-61.7-42.1000106.3R540 N549 A585 T586R540-D547 IonicContact CZ-OD2 2.71Å; R540-D547 IonicContact NE-OD2 2.83Å; R540-D547 PolarHBondContact NE-OD2 3.04Å; R540-D547 IonicContact NH2-OD2 2.59Å; R540-D547 PolarHBondContact NH2-OD2 3.37Å; D547-N549 VanDerWaalsContact C-N 3.28Å; D547-N549 PolarHBondContact O-N 2.78Å; D547-A585 WeakPolarHBondContact OD1-CB 3.31Å; D547-T586 WeakPolarHBondContact OD1-CB 3.43Å; D547-T586 PolarHBondContact OD1-N 3.04Å; D547-T586 PolarHBondContact OD1-OG1 3.06Å; D547-T586 PolarHBondContact OD2-OG1 3.47Å
548D42.4Very low45Very low64 Ų6484.6 Ų84.634%0.34245%0.445SS..  trans-69.791.6-175.4-141.2-0.2000109V482 T546V482-D548 WeakPolarHBondContact CG1-OD2 3.44Å; T546-D548 VanDerWaalsContact C-N 3.33Å; T546-D548 PolarHBondContact O-N 3.36Å
549N41.5Very low43Very low122 Ų12290.4 Ų90.465%0.65247%0.472SS*.  trans-132105.8161.8-105-3.2000106.1D547 Y551D547-N549 VanDerWaalsContact C-N 3.28Å; D547-N549 PolarHBondContact O-N 2.78Å; N549-Y551 PolarHBondContact O-N 3.33Å
550G32.7Very low41.4Very low43 Ų4397.6 Ų97.644%0.44351%0.51SS..  trans-68.660.3-173.400000116.1
551Y28.4Very low39.6Very low218 Ų218100.2 Ų100.286%0.85553%0.527SS*.  trans-12480.2163.6-81.2-86.1000109.2N549 S553N549-Y551 PolarHBondContact O-N 3.33Å; Y551-S553 PolarHBondContact O-N 3.46Å; Y551-S553 VanDerWaalsContact O-N 3.13Å
552H26.1Very low38.3Very low170 Ų170101.9 Ų101.979%0.78754%0.535SS*.  trans-65.2109.8149.6-88.6-68.9000106.8S554H552-S554 PolarHBondContact O-N 2.95Å
553S24.1Very low37Very low109 Ų109109.2 Ų109.276%0.76257%0.574SS**  trans-57.887.8158.9-178.40000108.2Y551Y551-S553 PolarHBondContact O-N 3.46Å; Y551-S553 VanDerWaalsContact O-N 3.13Å
554S26.8Very low35.6Very low92 Ų92115.7 Ų115.764%0.64360%0.604SS**  trans-97104.1158.364.40000107H552 H556H552-S554 PolarHBondContact O-N 2.95Å; S554-H556 VanDerWaalsContact C-N 3.32Å; S554-H556 PolarHBondContact O-N 3.32Å
555N24.2Very low34.3Very low147 Ų147123 Ų12379%0.78664%0.644SS**  trans-48.698.1157.4-74.8-26.5000108.9
556H24.9Very low32.9Very low144 Ų144130.7 Ų130.767%0.66769%0.685SS**  trans-120.693.6158.2-111.8-67.3000107S554 H558S554-H556 VanDerWaalsContact C-N 3.32Å; S554-H556 PolarHBondContact O-N 3.32Å; H556-H558 VanDerWaalsContact C-N 3.31Å; H556-H558 AromaticContact CE1-NE2 3.75Å; H556-H558 AromaticContact ND1-CD2 3.32Å; H556-H558 PolarHBondContact ND1-CD2 3.48Å; H556-H558 VanDerWaalsContact ND1-CD2 3.32Å; H556-H558 AromaticContact ND1-NE2 3.34Å; H556-H558 PolarHBondContact ND1-NE2 3.37Å; H556-H558 PolarHBondContact O-N 2.91Å
557L23.2Very low31.7Very low149 Ų149136.1 Ų136.178%0.7871%0.712SS**  trans-52.6102.6150.7-101.274.7000106.6
558H28.4Very low30.6Very low141 Ų141141.4 Ų141.465%0.65374%0.741SS**  trans-125101150.8-86.1-73.4000106.5H556 D560H556-H558 VanDerWaalsContact C-N 3.31Å; H556-H558 AromaticContact CE1-NE2 3.75Å; H556-H558 AromaticContact ND1-CD2 3.32Å; H556-H558 PolarHBondContact ND1-CD2 3.48Å; H556-H558 VanDerWaalsContact ND1-CD2 3.32Å; H556-H558 AromaticContact ND1-NE2 3.34Å; H556-H558 PolarHBondContact ND1-NE2 3.37Å; H556-H558 PolarHBondContact O-N 2.91Å; H558-D560 PolarHBondContact O-N 2.99Å
559H26.2Very low30Very low154 Ų154141.2 Ų141.271%0.71375%0.754SS**  trans-46.3115.7146.1-80.4-86.8000107.6
560D32.5Very low29.4Very low152 Ų152141.9 Ų141.981%0.81376%0.762SS**  trans-140.4109.7142-79.5-43.5000105.3H558H558-D560 PolarHBondContact O-N 2.99Å
561E30.1Very low29.2Very low158 Ų158146.1 Ų146.174%0.73878%0.775SS**  trans-62.7165163.4-64.1169.9160.600108.5
562D35.4Very low29.1Very low142 Ų142142.9 Ų142.976%0.75977%0.772SS**  trans88.192.4168.3-45.1-29.5000116
563D34.1Very low29.1Very low163 Ų163142.5 Ų142.587%0.87277%0.768SS**  177.8117.199.9-87.1-28.8000109.7
564D31.4Very low29.2Very low156 Ų156142.8 Ų142.883%0.83477%0.765SS**  trans-61.4130.7161.6-65.1-55.9000109.1
565D36.8Very low29.2Very low163 Ų163146.6 Ų146.687%0.87278%0.778SS**  trans-172.7131.4141.9-93.8-26.1000111
566D32.9Very low29Very low161 Ų161146.6 Ų146.686%0.86178%0.778SS**  trans-60.9136.9-178.6-56.8-66000114
567D31.8Very low29.1Very low158 Ų158144.3 Ų144.385%0.84578%0.778SS**  trans-156.5104.8142.5-1579.8000112G569D567-G569 PolarHBondContact O-N 2.94Å
568D28.6Very low29.2Very low164 Ų164146.9 Ų146.988%0.87778%0.783SS**  trans-6686.2168.5-84.3-45.4000110.7
569G30.3Very low29.2Very low60 Ų60146.3 Ų146.362%0.61979%0.789SS**  trans-109.978.9174.400000112.7D567 N571D567-G569 PolarHBondContact O-N 2.94Å; G569-N571 VanDerWaalsContact C-N 3.31Å; G569-N571 PolarHBondContact O-N 3.35Å
570V28.2Very low29.5Very low135 Ų135142.4 Ų142.482%0.81878%0.779SS**  trans-5888.5169.6-179.50000109.8
571N29.6Very low29.8Very low133 Ų133139.3 Ų139.371%0.71177%0.765SS**  trans-108.483.1171.4-123.2-26.6000108.7G569 K573G569-N571 VanDerWaalsContact C-N 3.31Å; G569-N571 PolarHBondContact O-N 3.35Å; N571-K573 PolarHBondContact O-N 2.99Å
572D26.2Very low30.6Very low150 Ų150134.1 Ų134.180%0.80274%0.744SS**  trans-71.150.6177-153.47.8000111.8T574D572-T574 PolarHBondContact O-N 3.34Å
573K26.4Very low31.5Very low161 Ų161127.5 Ų127.570%0.771%0.71SS**  trans-94.683.7170-77.5-175.5-179.1174.20108.3N571 N575N571-K573 PolarHBondContact O-N 2.99Å; K573-N575 PolarHBondContact O-N 3.49Å
574T26.1Very low32.9Very low116 Ų116119.7 Ų119.771%0.71267%0.668SS**  trans3483.5133.141.60000112.7D572 L576D572-T574 PolarHBondContact O-N 3.34Å; T574-L576 PolarHBondContact O-N 3.34Å
575N25.1Very low34.4Very low171 Ų171112.3 Ų112.391%0.91463%0.628SS**  trans-6268153-77.6-40.2000107.9K573 S577K573-N575 PolarHBondContact O-N 3.49Å; N575-S577 PolarHBondContact O-N 3.49Å
576L21.8Very low35.7Very low148 Ų148106.8 Ų106.878%0.77560%0.601SS**  trans-65.195.3162.6-163.376.5000103.7T574 K578T574-L576 PolarHBondContact O-N 3.34Å; L576-K578 VanDerWaalsContact C-N 3.35Å; L576-K578 PolarHBondContact O-N 3.06Å
577S26.7Very low37.2Very low96 Ų96102.4 Ų102.467%0.67157%0.574SS**  trans-1892.7167.343.90000110.9N575 V579N575-S577 PolarHBondContact O-N 3.49Å; S577-V579 VanDerWaalsContact C-N 3.29Å; S577-V579 PolarHBondContact O-N 2.83Å
578K24.5Very low38.9Very low203 Ų20394.9 Ų94.988%0.88353%0.534SS*.  trans-53.5106.5163.7-84.4179.3175.2176.70104.4L576 S580L576-K578 VanDerWaalsContact C-N 3.35Å; L576-K578 PolarHBondContact O-N 3.06Å; K578-S580 PolarHBondContact O-N 3.02Å
579V27.5Very low40.7Very low128 Ų12888.8 Ų88.878%0.77650%0.501SS*.  trans-49.6105.6-179.1175.70000105.7S577 V581S577-V579 VanDerWaalsContact C-N 3.29Å; S577-V579 PolarHBondContact O-N 2.83Å; V579-V581 PolarHBondContact O-N 2.81Å
580S32.8Very low42.3Very low72 Ų7289.9 Ų89.950%0.50349%0.492SS..  trans-57113.7174.845.90000105.6K578 V582K578-S580 PolarHBondContact O-N 3.02Å; S580-V582 PolarHBondContact O-N 2.85Å
581V39.9Very low44.1Very low87 Ų8785.1 Ų85.153%0.52746%0.46SS..  trans-68.196.3175177.70000104.9V579 G583V579-V581 PolarHBondContact O-N 2.81Å; V581-G583 PolarHBondContact O-N 2.74Å
582V47.4Very low45.7Very low49 Ų4979.9 Ų79.930%0.29743%0.432SS..  trans-56.9111.6179.9-1780000107.3S580 T586 K587 L590S580-V582 PolarHBondContact O-N 2.85Å; V582-T586 VanDerWaalsContact CG1-CB 3.42Å; V582-T586 HydrophobicContact CG1-CG2 3.38Å; V582-K587 HydrophobicContact CB-CG 4.35Å; V582-K587 HydrophobicContact CG1-CG 3.93Å; V582-K587 VanDerWaalsContact O-CE 3.23Å; V582-K587 WeakPolarHBondContact O-CE 3.43Å; V582-L590 HydrophobicContact CG1-CD1 3.82Å
583G53.3Low47.3Very low3 Ų375.5 Ų75.53%0.03141%0.408CS..  trans-65.8169-178.500000112.6T546 V581 A585 T586 K587T546-G583 WeakPolarHBondContact O-CA 3.37Å; V581-G583 PolarHBondContact O-N 2.74Å; G583-A585 VanDerWaalsContact C-N 3.34Å; G583-A585 PolarHBondContact O-N 2.8Å; G583-T586 PolarHBondContact O-N 3.5Å; G583-T586 VanDerWaalsContact O-N 3.11Å; G583-K587 PolarHBondContact O-N 3.15Å
584G62.8Low48.9Very low0 Ų070.7 Ų70.70%040%0.395CS..Hα-helixtrans-60.4-41.2-171.600000112.9N497 V501 K587 L588N497-G584 WeakPolarHBondContact OD1-CA 3.47Å; N497-G584 PolarHBondContact OD1-N 3.2Å; V501-G584 VanDerWaalsContact CG2-CA 3.46Å; G584-K587 PolarHBondContact O-N 3.34Å; G584-L588 WeakPolarHBondContact O-CG 3.42Å; G584-L588 PolarHBondContact O-N 3.15Å
585A64.5Low50.3Low0 Ų067.5 Ų67.50%037%0.373CS..Hα-helixtrans-64.3-42.1174.400000112.2I536 R540 L545 D547 G583 L588 N589I536-A585 HydrophobicContact CG2-CB 3.72Å; R540-A585 HydrophobicContact CG-CB 3.93Å; L545-A585 HydrophobicContact CB-CB 4.43Å; L545-A585 WeakPolarHBondContact O-CB 3.43Å; L545-A585 PolarHBondContact O-N 3.22Å; D547-A585 WeakPolarHBondContact OD1-CB 3.31Å; G583-A585 VanDerWaalsContact C-N 3.34Å; G583-A585 PolarHBondContact O-N 2.8Å; A585-L588 PolarHBondContact O-N 2.8Å; A585-N589 PolarHBondContact O-N 3.19Å; A585-N589 PolarHBondContact O-ND2 3.44Å
586T63.3Low51.8Low47 Ų4761.5 Ų61.529%0.28834%0.344SS..Hα-helixtrans-66.8-38.7176.3-54.10000111.3D547 V582 G583 L588 N589 L590D547-T586 WeakPolarHBondContact OD1-CB 3.43Å; D547-T586 PolarHBondContact OD1-N 3.04Å; D547-T586 PolarHBondContact OD1-OG1 3.06Å; D547-T586 PolarHBondContact OD2-OG1 3.47Å; V582-T586 VanDerWaalsContact CG1-CB 3.42Å; V582-T586 HydrophobicContact CG1-CG2 3.38Å; G583-T586 PolarHBondContact O-N 3.5Å; G583-T586 VanDerWaalsContact O-N 3.11Å; T586-L588 PolarHBondContact O-N 2.95Å; T586-N589 PolarHBondContact O-N 3.19Å; T586-L590 HydrophobicContact CG2-CD1 4.3Å; T586-L590 HydrophobicContact CG2-CG 4.37Å; T586-L590 WeakPolarHBondContact O-CB 3.34Å; T586-L590 VanDerWaalsContact O-CG 3.29Å; T586-L590 WeakPolarHBondContact O-CG 3.28Å; T586-L590 PolarHBondContact O-N 2.93Å
587K65.1Low53.2Low69 Ų6958.2 Ų58.230%0.333%0.327SS..Hα-helixtrans-60.9-41.7173.2-78.4175.2178.7167.40112.3S498 V501 V582 G583 G584 L590 W591S498-K587 PolarHBondContact OG-NZ 3Å; V501-K587 HydrophobicContact CG1-CB 3.76Å; V501-K587 HydrophobicContact CG1-CD 4.36Å; V582-K587 HydrophobicContact CB-CG 4.35Å; V582-K587 HydrophobicContact CG1-CG 3.93Å; V582-K587 VanDerWaalsContact O-CE 3.23Å; V582-K587 WeakPolarHBondContact O-CE 3.43Å; G583-K587 PolarHBondContact O-N 3.15Å; G584-K587 PolarHBondContact O-N 3.34Å; K587-L590 PolarHBondContact O-N 3.43Å; K587-W591 WeakPolarHBondContact O-CB 3.18Å; K587-W591 PolarHBondContact O-N 2.89Å
588L67.6Low54Low0 Ų057.7 Ų57.70%032%0.316CS..Hα-helixtrans-67.5-38.5175-73.6171.6000112.1V501 I505 F509 V532 I536 L545 G584 A585 T586 W591 I592V501-L588 HydrophobicContact CG1-CD2 4.13Å; V501-L588 HydrophobicContact CG1-CG 3.84Å; V501-L588 HydrophobicContact CG2-CD1 4.32Å; V501-L588 HydrophobicContact CG2-CG 4.43Å; I505-L588 HydrophobicContact CD1-CD2 4.37Å; I505-L588 HydrophobicContact CG1-CD2 4.17Å; F509-L588 HydrophobicContact CD2-CD2 4.36Å; F509-L588 HydrophobicContact CE2-CD2 3.89Å; V532-L588 HydrophobicContact CG1-CB 4.45Å; I536-L588 HydrophobicContact CD1-CB 3.71Å; I536-L588 HydrophobicContact CG1-CB 3.95Å; I536-L588 HydrophobicContact CG1-CD1 3.96Å; L545-L588 HydrophobicContact CD1-CD1 4.13Å; G584-L588 WeakPolarHBondContact O-CG 3.42Å; G584-L588 PolarHBondContact O-N 3.15Å; A585-L588 PolarHBondContact O-N 2.8Å; T586-L588 PolarHBondContact O-N 2.95Å; L588-W591 WeakPolarHBondContact O-CB 3.5Å; L588-W591 PolarHBondContact O-N 2.73Å; L588-I592 WeakPolarHBondContact O-CG1 3.37Å; L588-I592 PolarHBondContact O-N 2.74Å
589N66.5Low55.3Low37 Ų3754.8 Ų54.820%0.19830%0.304CS..Hα-helixtrans-63.1-45.8172-73.7-48.9000111.5I536 R540 A585 T586 W591 I592 D593I536-N589 WeakPolarHBondContact CD1-OD1 3.44Å; R540-N589 PolarHBondContact NH2-ND2 3.23Å; R540-N589 VanDerWaalsContact NH2-ND2 3.15Å; A585-N589 PolarHBondContact O-N 3.19Å; A585-N589 PolarHBondContact O-ND2 3.44Å; T586-N589 PolarHBondContact O-N 3.19Å; N589-W591 PolarHBondContact O-N 2.88Å; N589-I592 CarbonylContact O-C 3.58Å; N589-I592 WeakPolarHBondContact O-CA 3.46Å; N589-I592 WeakPolarHBondContact O-CB 3.28Å; N589-I592 PolarHBondContact O-N 3.29Å; N589-D593 VanDerWaalsContact O-CG 3.3Å; N589-D593 PolarHBondContact O-N 3.37Å
590L63.2Low56.4Low83 Ų8351.9 Ų51.944%0.43528%0.281SS..Hα-helixtrans-61.9-31.3175.3-72.9172.1000112.5V582 T586 K587 D593 S594V582-L590 HydrophobicContact CG1-CD1 3.82Å; T586-L590 HydrophobicContact CG2-CD1 4.3Å; T586-L590 HydrophobicContact CG2-CG 4.37Å; T586-L590 WeakPolarHBondContact O-CB 3.34Å; T586-L590 VanDerWaalsContact O-CG 3.29Å; T586-L590 WeakPolarHBondContact O-CG 3.28Å; T586-L590 PolarHBondContact O-N 2.93Å; K587-L590 PolarHBondContact O-N 3.43Å; L590-D593 PolarHBondContact O-N 2.84Å; L590-S594 VanDerWaalsContact O-CB 3.28Å; L590-S594 WeakPolarHBondContact O-CB 3.26Å; L590-S594 PolarHBondContact O-N 3.33Å; L590-S594 PolarHBondContact O-OG 2.77Å
591W65.3Low57.1Low34 Ų3454.4 Ų54.413%0.12928%0.283CS..Hα-helixtrans-67.8-43.3172.8-179.779.6000111.2I505 F509 L513 V532 K587 L588 N589 D593 S594 L595I505-W591 HydrophobicContact CD1-CB 4.31Å; I505-W591 HydrophobicContact CD1-CG 4.45Å; F509-W591 HydrophobicContact CB-CH2 4.34Å; F509-W591 HydrophobicContact CB-CZ2 4.25Å; F509-W591 HydrophobicContact CD2-CE3 4.5Å; F509-W591 HydrophobicContact CD2-CH2 4.06Å; F509-W591 HydrophobicContact CD2-CZ3 4.06Å; L513-W591 HydrophobicContact CD1-CZ2 4.26Å; L513-W591 HydrophobicContact CD2-CZ2 4.35Å; L513-W591 HydrophobicContact CG-CZ2 4.44Å; V532-W591 HydrophobicContact CG2-CZ3 4.4Å; K587-W591 WeakPolarHBondContact O-CB 3.18Å; K587-W591 PolarHBondContact O-N 2.89Å; L588-W591 WeakPolarHBondContact O-CB 3.5Å; L588-W591 PolarHBondContact O-N 2.73Å; N589-W591 PolarHBondContact O-N 2.88Å; W591-D593 VanDerWaalsContact C-N 3.34Å; W591-D593 PolarHBondContact O-N 3.15Å; W591-S594 WeakPolarHBondContact O-CB 3.42Å; W591-S594 PolarHBondContact O-N 3.2Å; W591-L595 HydrophobicContact CD2-CD1 4.17Å; W591-L595 HydrophobicContact CE3-CD1 4.01Å; W591-L595 HydrophobicContact CH2-CD1 3.78Å; W591-L595 HydrophobicContact CZ2-CD1 3.93Å; W591-L595 HydrophobicContact CZ3-CD1 3.81Å; W591-L595 WeakPolarHBondContact O-CG 3.47Å; W591-L595 PolarHBondContact O-N 3.02Å
592I64.7Low57.7Low24 Ų2457.2 Ų57.212%0.12328%0.284CS..Hα-helixtrans-59.1-45.4171.3-66.7167.9000110.6T529 V532 L533 I536 L588 N589 S594 L595 S596T529-I592 HydrophobicContact CG2-CD1 4.48Å; T529-I592 HydrophobicContact CG2-CG2 4.06Å; V532-I592 HydrophobicContact CB-CD1 4.2Å; V532-I592 HydrophobicContact CG1-CD1 3.84Å; V532-I592 HydrophobicContact CG1-CG1 4.41Å; L533-I592 HydrophobicContact CD2-CD1 4.47Å; L533-I592 HydrophobicContact CG-CD1 4.49Å; I536-I592 HydrophobicContact CD1-CD1 4.36Å; L588-I592 WeakPolarHBondContact O-CG1 3.37Å; L588-I592 PolarHBondContact O-N 2.74Å; N589-I592 CarbonylContact O-C 3.58Å; N589-I592 WeakPolarHBondContact O-CA 3.46Å; N589-I592 WeakPolarHBondContact O-CB 3.28Å; N589-I592 PolarHBondContact O-N 3.29Å; I592-S594 VanDerWaalsContact C-N 3.32Å; I592-S594 PolarHBondContact O-N 3.32Å; I592-L595 WeakPolarHBondContact O-CB 3.26Å; I592-L595 PolarHBondContact O-N 3.13Å; I592-S596 PolarHBondContact O-N 2.8Å
593D59.8Low57.9Low57 Ų5758.2 Ų58.231%0.30529%0.293SS..Hα-helixtrans-65.7-35.3177.5-63.5-24.9000111.7N589 L590 W591 L595 S596 I597N589-D593 VanDerWaalsContact O-CG 3.3Å; N589-D593 PolarHBondContact O-N 3.37Å; L590-D593 PolarHBondContact O-N 2.84Å; W591-D593 VanDerWaalsContact C-N 3.34Å; W591-D593 PolarHBondContact O-N 3.15Å; D593-L595 VanDerWaalsContact C-N 3.3Å; D593-L595 PolarHBondContact O-N 3.27Å; D593-S596 PolarHBondContact O-N 2.89Å; D593-S596 PolarHBondContact O-OG 3Å; D593-I597 VanDerWaalsContact O-CG1 3.26Å; D593-I597 WeakPolarHBondContact O-CG1 3.46Å; D593-I597 PolarHBondContact O-N 3.41Å
594S59.7Low57.8Low60 Ų6058.7 Ų58.742%0.4230%0.297SS..Hα-helixtrans-65.9-35175.4-64.80000111.8L590 W591 I592 S596 I597 L598L590-S594 VanDerWaalsContact O-CB 3.28Å; L590-S594 WeakPolarHBondContact O-CB 3.26Å; L590-S594 PolarHBondContact O-N 3.33Å; L590-S594 PolarHBondContact O-OG 2.77Å; W591-S594 WeakPolarHBondContact O-CB 3.42Å; W591-S594 PolarHBondContact O-N 3.2Å; I592-S594 VanDerWaalsContact C-N 3.32Å; I592-S594 PolarHBondContact O-N 3.32Å; S594-S596 VanDerWaalsContact C-N 3.35Å; S594-I597 PolarHBondContact O-N 3.36Å; S594-L598 WeakPolarHBondContact O-CB 3.35Å; S594-L598 VanDerWaalsContact O-CG 3.26Å; S594-L598 WeakPolarHBondContact O-CG 3.32Å; S594-L598 PolarHBondContact O-N 3.37Å
595L55.1Low57.6Low50 Ų5063.2 Ų63.226%0.26232%0.321SS..Hα-helixtrans-64.8-38.4173.4-68.8169.1000111.6L513 W591 I592 D593L513-L595 HydrophobicContact CD2-CD2 4.19Å; W591-L595 HydrophobicContact CD2-CD1 4.17Å; W591-L595 HydrophobicContact CE3-CD1 4.01Å; W591-L595 HydrophobicContact CH2-CD1 3.78Å; W591-L595 HydrophobicContact CZ2-CD1 3.93Å; W591-L595 HydrophobicContact CZ3-CD1 3.81Å; W591-L595 WeakPolarHBondContact O-CG 3.47Å; W591-L595 PolarHBondContact O-N 3.02Å; I592-L595 WeakPolarHBondContact O-CB 3.26Å; I592-L595 PolarHBondContact O-N 3.13Å; D593-L595 VanDerWaalsContact C-N 3.3Å; D593-L595 PolarHBondContact O-N 3.27Å
596S55.9Low57.5Low44 Ų4467.1 Ų67.131%0.30835%0.345SS..Hα-helixtrans-69.6-43.8174.976.90000111.7I592 D593 S594 L598 K599 H600I592-S596 PolarHBondContact O-N 2.8Å; D593-S596 PolarHBondContact O-N 2.89Å; D593-S596 PolarHBondContact O-OG 3Å; S594-S596 VanDerWaalsContact C-N 3.35Å; S596-L598 VanDerWaalsContact C-N 3.32Å; S596-L598 PolarHBondContact O-N 3.1Å; S596-K599 VanDerWaalsContact O-CB 3.29Å; S596-K599 WeakPolarHBondContact O-CB 3.18Å; S596-K599 PolarHBondContact O-N 3.36Å; S596-H600 PolarHBondContact O-CD2 3.44Å; S596-H600 PolarHBondContact O-N 3.37Å
597I50.7Low57.4Low79 Ų7966.3 Ų66.341%0.40534%0.339SS..Hα-helixtrans-62.9-35.9176.9-67.6164.7000111.8D593 S594 K599 H600 K601D593-I597 VanDerWaalsContact O-CG1 3.26Å; D593-I597 WeakPolarHBondContact O-CG1 3.46Å; D593-I597 PolarHBondContact O-N 3.41Å; S594-I597 PolarHBondContact O-N 3.36Å; I597-K599 VanDerWaalsContact C-N 3.26Å; I597-K599 PolarHBondContact O-N 3.01Å; I597-H600 PolarHBondContact O-N 3.44Å; I597-H600 VanDerWaalsContact O-N 3.1Å; I597-K601 HydrophobicContact CG2-CD 3.96Å; I597-K601 HydrophobicContact CG2-CG 4Å; I597-K601 PolarHBondContact O-N 3.37Å
598L45Very low57.2Low86 Ų8665 Ų6545%0.4534%0.335SS..Hα-helixtrans-60.8-35.4176.7-81.9168.9000112.3S594 S596 R602S594-L598 WeakPolarHBondContact O-CB 3.35Å; S594-L598 VanDerWaalsContact O-CG 3.26Å; S594-L598 WeakPolarHBondContact O-CG 3.32Å; S594-L598 PolarHBondContact O-N 3.37Å; S596-L598 VanDerWaalsContact C-N 3.32Å; S596-L598 PolarHBondContact O-N 3.1Å; L598-R602 WeakPolarHBondContact O-CB 3.46Å; L598-R602 WeakPolarHBondContact O-CG 3.48Å; L598-R602 PolarHBondContact O-N 3.22Å; L598-R602 VanDerWaalsContact O-N 3.08Å
599K51Low57.3Low142 Ų14269.4 Ų69.462%0.61736%0.355SS*.Hα-helixtrans-61.2-45.2172.2-173-177.2176.3-177.80110.9S596 I597 S603S596-K599 VanDerWaalsContact O-CB 3.29Å; S596-K599 WeakPolarHBondContact O-CB 3.18Å; S596-K599 PolarHBondContact O-N 3.36Å; I597-K599 VanDerWaalsContact C-N 3.26Å; I597-K599 PolarHBondContact O-N 3.01Å; K599-S603 PolarHBondContact O-N 2.79Å
600H51.7Low57.5Low66 Ų6671.6 Ų71.631%0.30637%0.365SS..Hα-helixtrans-72.3-42.6-179.6-64.2-66.5000113.3S596 I597 R602 S603 A604S596-H600 PolarHBondContact O-CD2 3.44Å; S596-H600 PolarHBondContact O-N 3.37Å; I597-H600 PolarHBondContact O-N 3.44Å; I597-H600 VanDerWaalsContact O-N 3.1Å; H600-R602 VanDerWaalsContact C-N 3.3Å; H600-R602 PolarHBondContact O-N 3.47Å; H600-S603 WeakPolarHBondContact O-CB 3.36Å; H600-S603 PolarHBondContact O-N 2.98Å; H600-A604 PolarHBondContact O-N 3Å
601K45.9Very low57.8Low125 Ų12568 Ų6854%0.54335%0.346SS..Hα-helixtrans-60.3-37.7174.9-80.6-177178.5174.60112.1I597 A604 N605I597-K601 HydrophobicContact CG2-CD 3.96Å; I597-K601 HydrophobicContact CG2-CG 4Å; I597-K601 PolarHBondContact O-N 3.37Å; K601-A604 PolarHBondContact O-N 3.43Å; K601-N605 VanDerWaalsContact O-CG 3.31Å; K601-N605 PolarHBondContact O-N 3.16Å
602R52.4Low58.2Low146 Ų14672 Ų7255%0.55136%0.361SS*.Hα-helixtrans-66.4-41.5175.9-77.8-177.7-177.5174.83.2111.9L598 H600 A604 N605 V606L598-R602 WeakPolarHBondContact O-CB 3.46Å; L598-R602 WeakPolarHBondContact O-CG 3.48Å; L598-R602 PolarHBondContact O-N 3.22Å; L598-R602 VanDerWaalsContact O-N 3.08Å; H600-R602 VanDerWaalsContact C-N 3.3Å; H600-R602 PolarHBondContact O-N 3.47Å; R602-A604 VanDerWaalsContact C-N 3.34Å; R602-A604 PolarHBondContact O-N 3.08Å; R602-N605 PolarHBondContact O-N 3.44Å; R602-V606 WeakPolarHBondContact O-CG2 3.33Å; R602-V606 PolarHBondContact O-N 3.13Å; R602-V606 VanDerWaalsContact O-N 3.14Å
603S52.7Low58.8Low70 Ų7077.8 Ų77.849%0.4939%0.387SS..Hα-helixtrans-59.7-44.9172.2-1710000111.7K599 H600 N605 V606 I607K599-S603 PolarHBondContact O-N 2.79Å; H600-S603 WeakPolarHBondContact O-CB 3.36Å; H600-S603 PolarHBondContact O-N 2.98Å; S603-N605 VanDerWaalsContact C-N 3.34Å; S603-N605 PolarHBondContact O-N 3.17Å; S603-V606 PolarHBondContact O-N 3.49Å; S603-I607 WeakPolarHBondContact O-CG1 3.36Å; S603-I607 PolarHBondContact O-N 3.47Å; S603-I607 VanDerWaalsContact O-N 3.16Å
604A51.8Low59.6Low14 Ų1477.1 Ų77.112%0.11638%0.383CS..Hα-helixtrans-62.5-37.4176.200000113.2H600 K601 R602 V606 I607 L608 F771H600-A604 PolarHBondContact O-N 3Å; K601-A604 PolarHBondContact O-N 3.43Å; R602-A604 VanDerWaalsContact C-N 3.34Å; R602-A604 PolarHBondContact O-N 3.08Å; A604-V606 VanDerWaalsContact C-N 3.34Å; A604-I607 PolarHBondContact O-N 3.39Å; A604-L608 VanDerWaalsContact O-CG 3.31Å; A604-L608 WeakPolarHBondContact O-CG 3.45Å; A604-L608 PolarHBondContact O-N 3.28Å; A604-F771 HydrophobicContact CB-CZ 4.15Å
605N57.7Low60.6Low94 Ų9474.4 Ų74.450%0.50336%0.364SS..Hα-helixtrans-65.3-36.7175.9-75.4-15.9000112.2K601 R602 S603 L608 E609K601-N605 VanDerWaalsContact O-CG 3.31Å; K601-N605 PolarHBondContact O-N 3.16Å; R602-N605 PolarHBondContact O-N 3.44Å; S603-N605 VanDerWaalsContact C-N 3.34Å; S603-N605 PolarHBondContact O-N 3.17Å; N605-L608 PolarHBondContact O-N 3.01Å; N605-E609 WeakPolarHBondContact O-CG 3.29Å; N605-E609 PolarHBondContact O-N 3.15Å
606V63.2Low61.9Low83 Ų8374.5 Ų74.550%0.50337%0.372SS..Hα-helixtrans-62.6-47174.3174.60000110.3R602 S603 A604 L608 E609 E610R602-V606 WeakPolarHBondContact O-CG2 3.33Å; R602-V606 PolarHBondContact O-N 3.13Å; R602-V606 VanDerWaalsContact O-N 3.14Å; S603-V606 PolarHBondContact O-N 3.49Å; A604-V606 VanDerWaalsContact C-N 3.34Å; V606-L608 VanDerWaalsContact C-N 3.28Å; V606-L608 PolarHBondContact O-N 3.49Å; V606-E609 PolarHBondContact O-N 2.93Å; V606-E609 VanDerWaalsContact O-N 3.17Å; V606-E610 WeakPolarHBondContact O-CG 3.42Å; V606-E610 PolarHBondContact O-N 3.05Å
607I59.4Low63.1Low29 Ų2975.5 Ų75.515%0.14937%0.374CS..Hα-helixtrans-58.6-41.2176.3-65.2167.7000111.4S603 A604 E610 L611 I732 L779S603-I607 WeakPolarHBondContact O-CG1 3.36Å; S603-I607 PolarHBondContact O-N 3.47Å; S603-I607 VanDerWaalsContact O-N 3.16Å; A604-I607 PolarHBondContact O-N 3.39Å; I607-E610 PolarHBondContact O-N 3.43Å; I607-L611 HydrophobicContact CG2-CD1 4.13Å; I607-L611 WeakPolarHBondContact O-CB 3.29Å; I607-L611 WeakPolarHBondContact O-CG 3.43Å; I607-L611 PolarHBondContact O-N 3.31Å; I607-I732 HydrophobicContact CD1-CD1 4.38Å; I607-I732 HydrophobicContact CD1-CG1 4.33Å; I607-I732 HydrophobicContact CG2-CD1 3.61Å; I607-L779 HydrophobicContact CG2-CD1 4.45Å
608L62.4Low64.5Low42 Ų4277.3 Ų77.322%0.2238%0.376CS..Hα-helixtrans-66.9-37.4178.4-74173.3000112.6A604 N605 V606 R612 L779 L782A604-L608 VanDerWaalsContact O-CG 3.31Å; A604-L608 WeakPolarHBondContact O-CG 3.45Å; A604-L608 PolarHBondContact O-N 3.28Å; N605-L608 PolarHBondContact O-N 3.01Å; V606-L608 VanDerWaalsContact C-N 3.28Å; V606-L608 PolarHBondContact O-N 3.49Å; L608-R612 WeakPolarHBondContact O-CB 3.4Å; L608-R612 VanDerWaalsContact O-CG 3.27Å; L608-R612 WeakPolarHBondContact O-CG 3.49Å; L608-R612 PolarHBondContact O-N 3.33Å; L608-L779 HydrophobicContact CD2-CD2 3.67Å; L608-L782 HydrophobicContact CD2-CD1 3.41Å; L608-L782 VanDerWaalsContact CD2-CD1 3.41Å
609E69.5Low66.4Low92 Ų9281.4 Ų81.443%0.4339%0.39SS..Hα-helixtrans-69.1-43174.3-70.3-53.2142.200111.6N605 V606 L611 R612 E613N605-E609 WeakPolarHBondContact O-CG 3.29Å; N605-E609 PolarHBondContact O-N 3.15Å; V606-E609 PolarHBondContact O-N 2.93Å; V606-E609 VanDerWaalsContact O-N 3.17Å; E609-L611 VanDerWaalsContact C-N 3.31Å; E609-L611 PolarHBondContact O-N 3.01Å; E609-R612 WeakPolarHBondContact O-CB 3.43Å; E609-R612 PolarHBondContact O-N 3.21Å; E609-R612 VanDerWaalsContact O-N 3.09Å; E609-R612 IonicContact OE1-CZ 3.83Å; E609-R612 IonicContact OE1-NH1 3.4Å; E609-R612 PolarHBondContact OE1-NH1 3.35Å; E609-E613 WeakPolarHBondContact O-CG 3.3Å; E609-E613 PolarHBondContact O-N 2.88Å
610E70.4Confident67.7Low84 Ų8476.1 Ų76.139%0.39337%0.368SS..Hα-helixtrans-57.3-44.2173.9-72.5178.7-177.400111.7V606 I607 E613 L614 Q728V606-E610 WeakPolarHBondContact O-CG 3.42Å; V606-E610 PolarHBondContact O-N 3.05Å; I607-E610 PolarHBondContact O-N 3.43Å; E610-E613 PolarHBondContact O-N 2.69Å; E610-L614 WeakPolarHBondContact O-CB 3.43Å; E610-L614 WeakPolarHBondContact O-CG 3.3Å; E610-L614 PolarHBondContact O-N 3.01Å; E610-Q728 PolarHBondContact OE2-NE2 3.24Å; E610-Q728 VanDerWaalsContact OE2-NE2 3.16Å
611L69.1Low69Low7 Ų773 Ų734%0.03735%0.354CS..Hα-helixtrans-66-37.4175.7-79.8169.2000112.5I607 E609 L614 L615 V725 Q728 L779I607-L611 HydrophobicContact CG2-CD1 4.13Å; I607-L611 WeakPolarHBondContact O-CB 3.29Å; I607-L611 WeakPolarHBondContact O-CG 3.43Å; I607-L611 PolarHBondContact O-N 3.31Å; E609-L611 VanDerWaalsContact C-N 3.31Å; E609-L611 PolarHBondContact O-N 3.01Å; L611-L614 HydrophobicContact CD2-CD1 4.48Å; L611-L614 PolarHBondContact O-N 3.16Å; L611-L615 WeakPolarHBondContact O-CB 3.43Å; L611-L615 WeakPolarHBondContact O-CG 3.34Å; L611-L615 PolarHBondContact O-N 3.16Å; L611-V725 HydrophobicContact CD2-CG1 4.44Å; L611-V725 HydrophobicContact CD2-CG2 4.17Å; L611-Q728 HydrophobicContact CD2-CG 4.45Å; L611-L779 HydrophobicContact CD1-CB 4.3Å; L611-L779 HydrophobicContact CD1-CD1 4.12Å; L611-L779 HydrophobicContact CD1-CD2 3.65Å; L611-L779 HydrophobicContact CD1-CG 4.22Å
612R74.2Confident70.7Confident118 Ų11870.1 Ų70.145%0.44534%0.34SS..Hα-helixtrans-64.4-42.3175.3-79.4171.3179.8167.21.4111.5L608 E609 L615 A616 L786L608-R612 WeakPolarHBondContact O-CB 3.4Å; L608-R612 VanDerWaalsContact O-CG 3.27Å; L608-R612 WeakPolarHBondContact O-CG 3.49Å; L608-R612 PolarHBondContact O-N 3.33Å; E609-R612 WeakPolarHBondContact O-CB 3.43Å; E609-R612 PolarHBondContact O-N 3.21Å; E609-R612 VanDerWaalsContact O-N 3.09Å; E609-R612 IonicContact OE1-CZ 3.83Å; E609-R612 IonicContact OE1-NH1 3.4Å; E609-R612 PolarHBondContact OE1-NH1 3.35Å; R612-L615 PolarHBondContact O-N 3.01Å; R612-A616 VanDerWaalsContact O-CB 3.23Å; R612-A616 WeakPolarHBondContact O-CB 3.4Å; R612-A616 PolarHBondContact O-N 3.12Å; R612-L786 HydrophobicContact CG-CD1 4.21Å
613E77.9Confident72Confident145 Ų14565.3 Ų65.368%0.67833%0.329SS*.Hα-helixtrans-62.9-45.7176-71.4-173.6171.900111.3E609 E610 L615 A616 D617E609-E613 WeakPolarHBondContact O-CG 3.3Å; E609-E613 PolarHBondContact O-N 2.88Å; E610-E613 PolarHBondContact O-N 2.69Å; E613-L615 PolarHBondContact O-N 3.21Å; E613-A616 PolarHBondContact O-N 3.42Å; E613-D617 PolarHBondContact O-N 2.97Å
614L75.4Confident73.3Confident43 Ų4364.3 Ų64.323%0.22532%0.317CS..Hα-helixtrans-58.2-47.9174.7-79164.7000112.3E610 L611 A616 D617 L620 L724E610-L614 WeakPolarHBondContact O-CB 3.43Å; E610-L614 WeakPolarHBondContact O-CG 3.3Å; E610-L614 PolarHBondContact O-N 3.01Å; L611-L614 HydrophobicContact CD2-CD1 4.48Å; L611-L614 PolarHBondContact O-N 3.16Å; L614-A616 VanDerWaalsContact C-N 3.29Å; L614-A616 PolarHBondContact O-N 3.03Å; L614-D617 PolarHBondContact O-N 3.43Å; L614-L620 HydrophobicContact CD2-CD1 4.4Å; L614-L724 HydrophobicContact CD2-CB 4.4Å; L614-L724 HydrophobicContact CD2-CD1 4.06Å
615L80.3Confident74.4Confident4 Ų465 Ų652%0.02132%0.32CS..Hα-helixtrans-72.8-20.9-178.7-66.4174000113.2L611 R612 E613 F621 T721 V725 F783 L786 V787 L790 H791L611-L615 WeakPolarHBondContact O-CB 3.43Å; L611-L615 WeakPolarHBondContact O-CG 3.34Å; L611-L615 PolarHBondContact O-N 3.16Å; R612-L615 PolarHBondContact O-N 3.01Å; E613-L615 PolarHBondContact O-N 3.21Å; L615-F621 HydrophobicContact CD2-CZ 4.45Å; L615-F621 WeakPolarHBondContact O-CE2 3.31Å; L615-T721 HydrophobicContact CD2-CG2 3.84Å; L615-V725 HydrophobicContact CD2-CG2 3.97Å; L615-F783 HydrophobicContact CD2-CD2 3.66Å; L615-F783 HydrophobicContact CD2-CE2 4.12Å; L615-L786 HydrophobicContact CD1-CB 4.16Å; L615-L786 HydrophobicContact CD1-CD1 3.81Å; L615-V787 HydrophobicContact CD2-CG2 3.94Å; L615-L790 HydrophobicContact CB-CD1 4.09Å; L615-H791 PolarHBondContact O-NE2 2.98Å
616A83.4Confident75.1Confident51 Ų5162.4 Ų62.442%0.42131%0.31SS..Hα-helixtrans-79.6-20.1176.100000112.9R612 E613 L614 R618 L790R612-A616 VanDerWaalsContact O-CB 3.23Å; R612-A616 WeakPolarHBondContact O-CB 3.4Å; R612-A616 PolarHBondContact O-N 3.12Å; E613-A616 PolarHBondContact O-N 3.42Å; L614-A616 VanDerWaalsContact C-N 3.29Å; L614-A616 PolarHBondContact O-N 3.03Å; A616-R618 PolarHBondContact O-N 3.41Å; A616-L790 HydrophobicContact CB-CD1 4.34Å
617D82.1Confident74.8Confident65 Ų6558.7 Ų58.735%0.34829%0.287SS..  trans-73.8101.4-178.2-168.8-16.2000112.1E613 L614 K619 L620 F621E613-D617 PolarHBondContact O-N 2.97Å; L614-D617 PolarHBondContact O-N 3.43Å; D617-K619 VanDerWaalsContact C-N 3.28Å; D617-K619 PolarHBondContact O-N 2.69Å; D617-K619 WeakPolarHBondContact OD1-CB 3.49Å; D617-K619 PolarHBondContact OD1-N 3.27Å; D617-L620 HydrophobicContact CB-CB 4.26Å; D617-L620 HydrophobicContact CB-CD1 3.86Å; D617-L620 HydrophobicContact CB-CG 4.19Å; D617-L620 PolarHBondContact O-N 3.09Å; D617-F621 PolarHBondContact O-N 3.46Å
618R80Confident74.7Confident117 Ų11761.1 Ų61.144%0.44230%0.301SS..Hα-helixtrans-62.2-30.4177.5-172.4174.1175.8-175.6-0.8113.5A616 F621 Y622A616-R618 PolarHBondContact O-N 3.41Å; R618-F621 PolarHBondContact O-N 2.96Å; R618-Y622 HydrophobicContact CG-CD2 4.17Å; R618-Y622 HydrophobicContact CG-CE2 3.86Å; R618-Y622 VanDerWaalsContact O-CD2 3.28Å; R618-Y622 WeakPolarHBondContact O-CD2 3.47Å; R618-Y622 PolarHBondContact O-N 3.49Å
619K83.4Confident74Confident173 Ų17362.4 Ų62.475%0.75231%0.313SS*.Hα-helixtrans-69.7-38.9-179.1-68.4179.8-179.51740111.1D617 F621 Y622 S623D617-K619 VanDerWaalsContact C-N 3.28Å; D617-K619 PolarHBondContact O-N 2.69Å; D617-K619 WeakPolarHBondContact OD1-CB 3.49Å; D617-K619 PolarHBondContact OD1-N 3.27Å; K619-F621 VanDerWaalsContact C-N 3.27Å; K619-F621 PolarHBondContact O-N 3.18Å; K619-Y622 PolarHBondContact O-N 2.78Å; K619-S623 PolarHBondContact O-N 3.12Å
620L79.3Confident73Confident30 Ų3059.1 Ų59.116%0.15730%0.298CS..Hα-helixtrans-64.5-30.8176.1-74.6172.9000112.4L614 D617 S623 E720 T721 L724L614-L620 HydrophobicContact CD2-CD1 4.4Å; D617-L620 HydrophobicContact CB-CB 4.26Å; D617-L620 HydrophobicContact CB-CD1 3.86Å; D617-L620 HydrophobicContact CB-CG 4.19Å; D617-L620 PolarHBondContact O-N 3.09Å; L620-S623 PolarHBondContact O-N 3.02Å; L620-E720 HydrophobicContact CD2-CB 4.43Å; L620-E720 HydrophobicContact CD2-CG 4.16Å; L620-T721 VanDerWaalsContact C-OG1 3.26Å; L620-T721 WeakPolarHBondContact CB-OG1 3.35Å; L620-T721 PolarHBondContact O-OG1 2.98Å; L620-L724 HydrophobicContact CD1-CD1 3.99Å; L620-L724 HydrophobicContact CD2-CD1 4.02Å
621F79.1Confident71.9Confident2 Ų260.1 Ų60.11%0.00930%0.301CS..Hα-helixtrans-67.5-38.7174.4-92.8-79.4000113.2L615 D617 R618 K619 S719 T721 F783 V787 H791 F801 L804L615-F621 HydrophobicContact CD2-CZ 4.45Å; L615-F621 WeakPolarHBondContact O-CE2 3.31Å; D617-F621 PolarHBondContact O-N 3.46Å; R618-F621 PolarHBondContact O-N 2.96Å; K619-F621 VanDerWaalsContact C-N 3.27Å; K619-F621 PolarHBondContact O-N 3.18Å; F621-S719 WeakPolarHBondContact O-CB 3.39Å; F621-T721 HydrophobicContact CD2-CG2 4.27Å; F621-T721 HydrophobicContact CE1-CG2 4.43Å; F621-T721 HydrophobicContact CE2-CG2 3.61Å; F621-T721 HydrophobicContact CZ-CG2 3.69Å; F621-T721 PolarHBondContact N-OG1 3.07Å; F621-F783 HydrophobicContact CE1-CE2 4.14Å; F621-F783 HydrophobicContact CE1-CZ 4.12Å; F621-F783 AromaticContact CZ-CE2 3.96Å; F621-F783 HydrophobicContact CZ-CE2 3.96Å; F621-F783 HydrophobicContact CZ-CZ 4.35Å; F621-V787 HydrophobicContact CE1-CG1 3.77Å; F621-V787 HydrophobicContact CE1-CG2 4.29Å; F621-V787 HydrophobicContact CE2-CG1 4.3Å; F621-V787 HydrophobicContact CE2-CG2 4.27Å; F621-V787 HydrophobicContact CZ-CB 4.22Å; F621-V787 HydrophobicContact CZ-CG1 3.59Å; F621-V787 HydrophobicContact CZ-CG2 3.5Å; F621-H791 AromaticContact CD2-NE2 3.74Å; F621-H791 AromaticContact CE2-NE2 3.72Å; F621-F801 HydrophobicContact CB-CE2 3.71Å; F621-F801 HydrophobicContact CB-CZ 4.28Å; F621-F801 HydrophobicContact CD1-CE2 4.27Å; F621-F801 HydrophobicContact CD1-CZ 4.08Å; F621-F801 AromaticContact CG-CE2 4Å; F621-F801 HydrophobicContact CG-CE2 4Å; F621-F801 HydrophobicContact CG-CZ 4.06Å; F621-L804 WeakPolarHBondContact O-CD1 3.41Å
622Y80.3Confident70.1Confident64 Ų6464.6 Ų64.625%0.25133%0.333SS..Hα-helixtrans-82.8-15.9176.5-71.2-75000113.5R618 K619 M624 V794 D798 F801R618-Y622 HydrophobicContact CG-CD2 4.17Å; R618-Y622 HydrophobicContact CG-CE2 3.86Å; R618-Y622 VanDerWaalsContact O-CD2 3.28Å; R618-Y622 WeakPolarHBondContact O-CD2 3.47Å; R618-Y622 PolarHBondContact O-N 3.49Å; K619-Y622 PolarHBondContact O-N 2.78Å; Y622-M624 PolarHBondContact O-N 3.38Å; Y622-V794 WeakPolarHBondContact OH-CG1 3.43Å; Y622-D798 WeakPolarHBondContact CE1-OD2 3.36Å; Y622-D798 PolarHBondContact OH-OD2 3.34Å; Y622-F801 HydrophobicContact CE1-CD2 4.19Å; Y622-F801 HydrophobicContact CE2-CD2 4.12Å; Y622-F801 AromaticContact CZ-CD2 3.8Å
623S81.1Confident68Low45 Ų4564.2 Ų64.232%0.31534%0.344SS..SBendtrans-69.5114.3168.1-168.10000108.3K619 L620 E720K619-S623 PolarHBondContact O-N 3.12Å; L620-S623 PolarHBondContact O-N 3.02Å; S623-E720 WeakPolarHBondContact CB-OE2 3.47Å; S623-E720 PolarHBondContact O-N 3.27Å; S623-E720 PolarHBondContact OG-OE2 3.08Å
624M79.4Confident65.5Low48 Ų4863.2 Ų63.224%0.23635%0.351CS..EExtended strand (participates in β ladder)trans-104.5135.3-173.5-64-178.8173.300110.5Y622 M717 V718 R800 L804Y622-M624 PolarHBondContact O-N 3.38Å; M624-M717 HydrophobicContact CB-CB 4.18Å; M624-M717 HydrophobicContact CB-CE 3.55Å; M624-M717 HydrophobicContact CG-CB 4.38Å; M624-M717 HydrophobicContact SD-CB 4Å; M624-M717 HydrophobicContact SD-CG 4.25Å; M624-V718 WeakPolarHBondContact CA-O 3.38Å; M624-R800 HydrophobicContact CE-CG 4.31Å; M624-R800 VanDerWaalsContact CE-NH2 3.3Å; M624-L804 HydrophobicContact CE-CD1 3.55Å; M624-L804 HydrophobicContact CE-CD2 3.76Å; M624-L804 HydrophobicContact CE-CG 3.8Å; M624-L804 HydrophobicContact CG-CD1 4.37Å; M624-L804 HydrophobicContact CG-CD2 3.92Å; M624-L804 HydrophobicContact SD-CD2 4.29Å
625C74.8Confident63.1Low28 Ų2869.8 Ų69.819%0.18938%0.381CS..EExtended strand (participates in β ladder)trans-117146170.4-60.40000109.9L630 V718C625-L630 HydrophobicContact CB-CD1 3.74Å; C625-V718 PolarHBondContact N-O 3.03Å; C625-V718 PolarHBondContact O-N 3.39Å; C625-V718 VanDerWaalsContact O-N 3.09Å
626S72.3Confident60.5Low41 Ų4179 Ų7929%0.28742%0.421SS..EExtended strand (participates in β ladder)trans-77.8137.1174.6178.60000109.3N628 S629 L630S626-N628 PolarHBondContact O-N 3.01Å; S626-N628 VanDerWaalsContact O-N 3.16Å; S626-S629 PolarHBondContact N-OG 3.03Å; S626-S629 WeakPolarHBondContact O-CB 3.27Å; S626-S629 PolarHBondContact O-N 2.93Å; S626-S629 PolarHBondContact O-OG 3.28Å; S626-L630 VanDerWaalsContact O-CD1 3.27Å; S626-L630 WeakPolarHBondContact O-CD1 3.38Å; S626-L630 PolarHBondContact O-N 3.5Å
627T57.3Low57.7Low5 Ų581.3 Ų81.33%0.03143%0.434CS..Hα-helixtrans-56.4-31.917751.20000112.6L630 F713 P714 C716 V718 Y811T627-L630 PolarHBondContact O-N 2.67Å; T627-F713 HydrophobicContact CG2-CD1 3.64Å; T627-F713 HydrophobicContact CG2-CE1 3.9Å; T627-P714 PolarHBondContact OG1-O 3.47Å; T627-C716 WeakPolarHBondContact CG2-O 3.49Å; T627-C716 PolarHBondContact N-O 3.07Å; T627-C716 PolarHBondContact OG1-O 3.03Å; T627-V718 HydrophobicContact CG2-CG1 3.8Å; T627-V718 HydrophobicContact CG2-CG2 4.13Å; T627-Y811 HydrophobicContact CG2-CD2 4.4Å
628N56.3Low54.9Low80 Ų8084.3 Ų84.343%0.42846%0.455SS..Hα-helixtrans-69.2-31.4174.1-71.7-25.3000113.4S626 L630 D715S626-N628 PolarHBondContact O-N 3.01Å; S626-N628 VanDerWaalsContact O-N 3.16Å; N628-L630 VanDerWaalsContact C-N 3.33Å; N628-D715 PolarHBondContact ND2-OD1 2.94Å; N628-D715 PolarHBondContact OD1-OD1 3.17Å
629S48.4Very low52.3Low68 Ų6884.3 Ų84.348%0.47647%0.468SS..Hα-helixtrans-73.4-23.8177.764.40000113.2S626 K631S626-S629 PolarHBondContact N-OG 3.03Å; S626-S629 WeakPolarHBondContact O-CB 3.27Å; S626-S629 PolarHBondContact O-N 2.93Å; S626-S629 PolarHBondContact O-OG 3.28Å; S629-K631 VanDerWaalsContact C-N 3.3Å; S629-K631 PolarHBondContact O-N 2.99Å
630L48.5Very low49.4Very low24 Ų2483.4 Ų83.413%0.12647%0.471CS..Hα-helixtrans-69.9-24.8176.5-88.182000113C625 S626 T627 N628 S632 V718 D723 Y811C625-L630 HydrophobicContact CB-CD1 3.74Å; S626-L630 VanDerWaalsContact O-CD1 3.27Å; S626-L630 WeakPolarHBondContact O-CD1 3.38Å; S626-L630 PolarHBondContact O-N 3.5Å; T627-L630 PolarHBondContact O-N 2.67Å; N628-L630 VanDerWaalsContact C-N 3.33Å; L630-S632 VanDerWaalsContact C-N 3.3Å; L630-S632 PolarHBondContact O-N 3.34Å; L630-V718 HydrophobicContact CD1-CG2 4.16Å; L630-D723 HydrophobicContact CD2-CB 3.81Å; L630-D723 VanDerWaalsContact CD2-OD1 3.23Å; L630-D723 WeakPolarHBondContact CD2-OD1 3.18Å; L630-D723 HydrophobicContact CG-CB 4.32Å; L630-D723 WeakPolarHBondContact CG-OD1 3.46Å; L630-Y811 HydrophobicContact CD2-CE1 4.04Å
631K47.8Very low46.9Very low104 Ų10487.1 Ų87.145%0.45250%0.495SS..G310 helixtrans-71.5-12.7-172.4-75.3-177.7-178.6170.90115.2S629 V633 D712S629-K631 VanDerWaalsContact C-N 3.3Å; S629-K631 PolarHBondContact O-N 2.99Å; K631-V633 PolarHBondContact O-N 3.39Å; K631-V633 VanDerWaalsContact O-N 3.11Å; K631-D712 IonicContact NZ-OD1 2.72Å; K631-D712 PolarHBondContact NZ-OD1 3.27Å
632S31.3Very low44.2Very low101 Ų10193.7 Ų93.771%0.70654%0.536SS*.G310 helixtrans-75.63.5-171.380.20000115.6L630L630-S632 VanDerWaalsContact C-N 3.3Å; L630-S632 PolarHBondContact O-N 3.34Å
633V30.1Very low41.7Very low110 Ų11096 Ų9667%0.66756%0.557SS**G310 helixtrans-95.9-7.1-173.8-176.70000113.6K631 E635K631-V633 PolarHBondContact O-N 3.39Å; K631-V633 VanDerWaalsContact O-N 3.11Å; V633-E635 VanDerWaalsContact C-N 3.33Å; V633-E635 PolarHBondContact O-N 2.96Å
634C26Very low38.9Very low124 Ų124101.9 Ų101.984%0.83858%0.584SS**  trans-85.576174.7-1440000110.8K636C634-K636 PolarHBondContact O-N 2.91Å; C634-K636 VanDerWaalsContact O-N 3.13Å
635E25.1Very low36.4Very low182 Ų182104.1 Ų104.185%0.8561%0.605SS**  trans-62.5110.9168.5-74.1-175.6166.100109.1V633 S637V633-E635 VanDerWaalsContact C-N 3.33Å; V633-E635 PolarHBondContact O-N 2.96Å; E635-S637 PolarHBondContact O-N 3.36Å
636K25.4Very low33.9Very low198 Ų198110.5 Ų110.586%0.86164%0.637SS**  trans-60.2108.5163.1-88176173.9174.10107.2C634 T638C634-K636 PolarHBondContact O-N 2.91Å; C634-K636 VanDerWaalsContact O-N 3.13Å; K636-T638 PolarHBondContact O-N 3.37Å; K636-T638 VanDerWaalsContact O-N 3.11Å
637S24.8Very low31.7Very low99 Ų99114 Ų11469%0.69266%0.657SS**  trans-45.4119.7165.553.30000109E635 T639E635-S637 PolarHBondContact O-N 3.36Å; S637-T639 VanDerWaalsContact C-N 3.29Å; S637-T639 PolarHBondContact O-N 3.49Å
638T22.7Very low30Very low128 Ų128122.9 Ų122.979%0.78570%0.695SS**  trans-62.383.1179.346.50000110.5K636 D640K636-T638 PolarHBondContact O-N 3.37Å; K636-T638 VanDerWaalsContact O-N 3.11Å; T638-D640 PolarHBondContact O-N 2.95Å
639T25.2Very low28.4Very low116 Ų116129.3 Ų129.371%0.71272%0.715SS**  trans-84.697.3159.441.30000107.5S637 T641S637-T639 VanDerWaalsContact C-N 3.29Å; S637-T639 PolarHBondContact O-N 3.49Å; T639-T641 PolarHBondContact O-N 3.21Å
640D21.8Very low27.4Very low154 Ų154132.9 Ų132.982%0.82473%0.728SS**  trans-51.7104.9164-71.5-39.5000108.9T638T638-D640 PolarHBondContact O-N 2.95Å
641T27.2Very low26.2Very low109 Ų109138.9 Ų138.967%0.66976%0.761SS**  trans-137.495.4161.2-36.20000108.4T639 T643T639-T641 PolarHBondContact O-N 3.21Å; T641-T643 PolarHBondContact O-N 3.14Å
642T22.3Very low25.1Very low139 Ų139139.5 Ų139.585%0.85377%0.773SS**  trans-54.794.9166.747.40000110.5
643T27.5Very low24.9Very low113 Ų113142.2 Ų142.269%0.69378%0.78SS**  trans-135.493.1158.143.20000109.1T641 S645T641-T643 PolarHBondContact O-N 3.14Å; T643-S645 PolarHBondContact O-N 3.02Å
644N23.6Very low24.7Very low168 Ų168145 Ų14590%0.89879%0.786SS**  trans-54.7101161.9-85.5-28.7000109.7
645S26.3Very low24.6Very low95 Ų95141.7 Ų141.766%0.66477%0.772SS**  trans-126.192.2157.4580000108.6T643 T647T643-S645 PolarHBondContact O-N 3.02Å; S645-T647 VanDerWaalsContact C-N 3.35Å; S645-T647 PolarHBondContact O-N 3.2Å
646N22.7Very low24.5Very low163 Ų163140.2 Ų140.287%0.87277%0.768SS**  trans-60.892.3166.2-83.6-28.3000109.4
647T25.3Very low24.5Very low113 Ų113141.6 Ų141.669%0.69377%0.77SS**  trans-108.1103.9165.6-21.50000107.2S645 Y649S645-T647 VanDerWaalsContact C-N 3.35Å; S645-T647 PolarHBondContact O-N 3.2Å; T647-Y649 PolarHBondContact O-N 2.81Å
648K22.7Very low24.6Very low192 Ų192143.8 Ų143.884%0.83577%0.769SS**  trans-54.2117.6177.6-81.6174.2171.4176.50109.8N650K648-N650 PolarHBondContact O-N 3.16Å
649Y22.8Very low24.8Very low215 Ų215147 Ų14784%0.84378%0.775SS**  trans-64.8105.6164.8-77.6-96.6000108.9T647T647-Y649 PolarHBondContact O-N 2.81Å
650N25.7Very low24.9Very low143 Ų143147.5 Ų147.577%0.76577%0.774SS**  trans-88.2101.3161.9-80.8-12.2000107.2K648 T652K648-N650 PolarHBondContact O-N 3.16Å; N650-T652 PolarHBondContact O-N 3.1Å; N650-T652 VanDerWaalsContact O-N 3.16Å
651N23.6Very low25.2Very low151 Ų151147.2 Ų147.281%0.80777%0.772SS**  trans-67101.2167.7-73.3-20.6000108.7
652T25.9Very low25Very low116 Ų116151.3 Ų151.371%0.71278%0.781SS**  trans-166.2100.9163.7-2.10000107.2N650N650-T652 PolarHBondContact O-N 3.1Å; N650-T652 VanDerWaalsContact O-N 3.16Å
653D26.2Very low25.2Very low158 Ų158151.5 Ų151.585%0.84578%0.776SS**  trans169.487.6135.8-83.9-15.8000109.1G655D653-G655 VanDerWaalsContact C-N 3.32Å; D653-G655 PolarHBondContact O-N 3.26Å
654E25.5Very low25.2Very low170 Ų170153.2 Ų153.279%0.79478%0.78SS**  trans-74.191.2156.2-72.6-160.1168.800107.6
655G24.4Very low25.5Very low53 Ų53152.5 Ų152.555%0.54678%0.776SS.*  trans-84.2110.2166.800000109.5D653 Y657D653-G655 VanDerWaalsContact C-N 3.32Å; D653-G655 PolarHBondContact O-N 3.26Å; G655-Y657 PolarHBondContact O-N 2.97Å; G655-Y657 VanDerWaalsContact O-N 3.13Å
656I24Very low25.7Very low151 Ų151154.7 Ų154.777%0.77478%0.78SS**  trans-57.9109.7167.7-61.8166000107.1E658I656-E658 VanDerWaalsContact C-N 3.29Å; I656-E658 HydrophobicContact CG2-CG 4.04Å; I656-E658 PolarHBondContact O-N 3.46Å
657Y25.1Very low26Very low228 Ų228154.2 Ų154.289%0.89478%0.777SS**  trans-76.586.2168.4-80.5-89.9000107.9G655G655-Y657 PolarHBondContact O-N 2.97Å; G655-Y657 VanDerWaalsContact O-N 3.13Å
658E26.5Very low26.2Very low145 Ų145155.1 Ų155.168%0.67879%0.787SS**  trans-66.8126.1150.3-66.5-168.7164.400106.2I656 D660I656-E658 VanDerWaalsContact C-N 3.29Å; I656-E658 HydrophobicContact CG2-CG 4.04Å; I656-E658 PolarHBondContact O-N 3.46Å; E658-D660 PolarHBondContact O-N 3.5Å
659E27.4Very low26.4Very low194 Ų194153 Ų15391%0.90778%0.783SS**  trans-65.176.8171.4-76.4174.9150.500107.8D661E659-D661 PolarHBondContact O-N 3.35Å
660D26.7Very low26.9Very low128 Ų128151.9 Ų151.968%0.68479%0.786SS**  trans-67.6121.2169-82.8-30.6000108E658 F662E658-D660 PolarHBondContact O-N 3.5Å; D660-F662 PolarHBondContact O-N 2.91Å
661D27.8Very low27Very low148 Ų148151.9 Ų151.979%0.79179%0.786SS**  trans-44.3106.6170.5-75-46.9000109.5E659 I663E659-D661 PolarHBondContact O-N 3.35Å; D661-I663 PolarHBondContact O-N 3.25Å
662F23.9Very low27.5Very low194 Ų194152.7 Ų152.785%0.85179%0.79SS**  trans-62.385.9173.1-97.7-98.9000109.2D660 L664D660-F662 PolarHBondContact O-N 2.91Å; F662-L664 VanDerWaalsContact C-N 3.35Å; F662-L664 PolarHBondContact O-N 3.21Å; F662-L664 VanDerWaalsContact O-N 3.11Å
663I26.1Very low27.4Very low144 Ų144154.8 Ų154.874%0.73879%0.794SS**  trans-71.497.5162.2-61.8171.9000105D661 D665D661-I663 PolarHBondContact O-N 3.25Å; I663-D665 PolarHBondContact O-N 2.99Å; I663-D665 VanDerWaalsContact O-N 3.16Å
664L27.6Very low27.6Very low149 Ų149154.4 Ų154.478%0.7879%0.79SS**  trans-64.6111170.1-70.1167.4000107.6F662 D666F662-L664 VanDerWaalsContact C-N 3.35Å; F662-L664 PolarHBondContact O-N 3.21Å; F662-L664 VanDerWaalsContact O-N 3.11Å; L664-D666 PolarHBondContact O-N 3.31Å
665D29Very low27.5Very low153 Ų153154.1 Ų154.182%0.81879%0.789SS**  trans-55.5126.3172-76.2-39000110.3I663 D667I663-D665 PolarHBondContact O-N 2.99Å; I663-D665 VanDerWaalsContact O-N 3.16Å; D665-D667 VanDerWaalsContact C-N 3.31Å; D665-D667 PolarHBondContact O-N 3.38Å
666D29.7Very low27.7Very low140 Ų140159.2 Ų159.275%0.74980%0.803SS**SBendtrans-85.921.7-161.7-151.614000114.3L664L664-D666 PolarHBondContact O-N 3.31Å
667D29.6Very low27.8Very low153 Ų153160.2 Ų160.282%0.81880%0.804SS**  trans-115.229.4-163.9-78.2-22.5000115.9D665D665-D667 VanDerWaalsContact C-N 3.31Å; D665-D667 PolarHBondContact O-N 3.38Å
668C29Very low28Very low133 Ų133159.4 Ų159.490%0.89980%0.801SS**  trans-127.868.9170-75.90000111.6
669I27.6Very low28.1Very low148 Ų148157.1 Ų157.176%0.75980%0.801SS**  trans-111.789.7165.9-56.4173.1000107.2
670E32.8Very low28.4Very low190 Ų190155.4 Ų155.489%0.88880%0.798SS**  trans-131114.7157.9-82.4-173.7165.700108.1
671D29.6Very low29Very low143 Ų143158.4 Ų158.477%0.76581%0.805SS**  trans34.4105.3156.9-69.5-23.6000120
672D32.5Very low29.3Very low169 Ų169156.7 Ų156.790%0.90480%0.8SS**  -158.395.5129.5-97.9-24.2000109.1I674D672-I674 PolarHBondContact O-N 3.3Å
673M23.6Very low30.3Very low160 Ų160150.9 Ų150.979%0.78878%0.777SS**  trans-73.8111.7173.4-67.5-147.780.200110.2
674I30.5Very low31.1Very low150 Ų150151.9 Ų151.977%0.76978%0.777SS**  trans-128.2102.2154.6-59.7-180000107.4D672 L676D672-I674 PolarHBondContact O-N 3.3Å; I674-L676 PolarHBondContact O-N 2.82Å
675E24.6Very low31.8Very low164 Ų164150.7 Ų150.777%0.76677%0.771SS**  trans-71110.7178.9-132.9170.5-169.800109.5
676L27.7Very low32.3Very low160 Ų160147.8 Ų147.884%0.83876%0.756SS**  trans-134.595.5165.7-77173.6000108.5I674 Y678I674-L676 PolarHBondContact O-N 2.82Å; L676-Y678 PolarHBondContact O-N 2.8Å
677E25.7Very low33.1Very low172 Ų172145.6 Ų145.680%0.80474%0.741SS**  trans-67.7108174.9-71.4-178.713200111.3
678Y29.8Very low34.2Very low211 Ų211142.7 Ų142.783%0.82772%0.724SS**  trans-159.6113.5152.4-91.3-74.5000111.7L676L676-Y678 PolarHBondContact O-N 2.8Å
679S29.6Very low34.9Very low96 Ų96141.2 Ų141.267%0.67171%0.707SS**  trans45.462.8152.666.60000121.9K681S679-K681 PolarHBondContact O-N 2.98Å; S679-K681 VanDerWaalsContact O-N 3.09Å
680D34.1Very low35.9Very low158 Ų158138.1 Ų138.185%0.84569%0.692SS**THydrogen-bonded Turn48.6-10123.8-119.38.9000128.9
681K37.4Very low37.2Very low192 Ų192136.5 Ų136.584%0.83568%0.682SS**THydrogen-bonded Turntrans-143.8-29.9171.2-76.4-167.9-179.9172.20118.2S679 N683S679-K681 PolarHBondContact O-N 2.98Å; S679-K681 VanDerWaalsContact O-N 3.09Å; K681-N683 VanDerWaalsContact C-N 3.33Å
682T34.2Very low38.2Very low111 Ų111133.4 Ų133.468%0.68167%0.665SS**SBendtrans-78.4-22.3176.540.90000112.4K684T682-K684 PolarHBondContact O-N 2.83Å
683N45.9Very low39.2Very low72 Ų72129.7 Ų129.739%0.38564%0.644SS.*Hα-helixtrans-76.4-20-172-150.1-1.9000114.2K681 D686 Q687K681-N683 VanDerWaalsContact C-N 3.33Å; N683-D686 PolarHBondContact O-N 3.38Å; N683-Q687 WeakPolarHBondContact O-CB 3.47Å; N683-Q687 WeakPolarHBondContact O-CG 3.26Å; N683-Q687 PolarHBondContact O-N 3.27Å; N683-Q687 WeakPolarHBondContact OD1-CG 3.44Å
684K43.6Very low41Very low166 Ų166129.9 Ų129.972%0.72264%0.64SS**Hα-helixtrans-65.1-44.8-177.8-111-178.3-179.6-1790112.1T682 I688T682-K684 PolarHBondContact O-N 2.83Å; K684-I688 WeakPolarHBondContact O-CB 3.27Å; K684-I688 VanDerWaalsContact O-CD1 3.3Å; K684-I688 WeakPolarHBondContact O-CD1 3.43Å; K684-I688 WeakPolarHBondContact O-CG1 3.41Å; K684-I688 PolarHBondContact O-N 3.4Å
685N40.4Very low42.5Very low124 Ų124124.7 Ų124.766%0.66362%0.617SS**Hα-helixtrans-69.2-40.2178.3-75.4-5.2000111.6I688 L689N685-I688 PolarHBondContact O-N 3.36Å; N685-L689 WeakPolarHBondContact O-CB 3.28Å; N685-L689 PolarHBondContact O-N 3.03Å
686D39.8Very low44.4Very low92 Ų92125.5 Ų125.549%0.49262%0.618SS.*Hα-helixtrans-67.4-38.6178-69.2-17.1000111.4N683 L689 L690N683-D686 PolarHBondContact O-N 3.38Å; D686-L689 PolarHBondContact O-N 3.33Å; D686-L690 VanDerWaalsContact O-CB 3.3Å; D686-L690 WeakPolarHBondContact O-CB 3.06Å; D686-L690 WeakPolarHBondContact O-CD1 3.44Å; D686-L690 PolarHBondContact O-N 3.43Å
687Q47.3Very low46.1Very low94 Ų94121.2 Ų121.244%0.43960%0.602SS.*Hα-helixtrans-67-38.5173.3-74-79.314.500112.4N683 L690 K691N683-Q687 WeakPolarHBondContact O-CB 3.47Å; N683-Q687 WeakPolarHBondContact O-CG 3.26Å; N683-Q687 PolarHBondContact O-N 3.27Å; N683-Q687 WeakPolarHBondContact OD1-CG 3.44Å; Q687-L690 PolarHBondContact O-N 3.1Å; Q687-K691 VanDerWaalsContact O-CB 3.26Å; Q687-K691 WeakPolarHBondContact O-CB 3.43Å; Q687-K691 WeakPolarHBondContact O-CG 3.28Å; Q687-K691 PolarHBondContact O-N 2.9Å
688I52.3Low47.9Very low92 Ų92115.2 Ų115.247%0.47258%0.575SS.*Hα-helixtrans-64.6-45173.9-69.6161.4000109.4K684 N685 K691 L692K684-I688 WeakPolarHBondContact O-CB 3.27Å; K684-I688 VanDerWaalsContact O-CD1 3.3Å; K684-I688 WeakPolarHBondContact O-CD1 3.43Å; K684-I688 WeakPolarHBondContact O-CG1 3.41Å; K684-I688 PolarHBondContact O-N 3.4Å; N685-I688 PolarHBondContact O-N 3.36Å; I688-K691 PolarHBondContact O-N 3.11Å; I688-L692 HydrophobicContact CG2-CD1 3.77Å; I688-L692 HydrophobicContact CG2-CG 4.31Å; I688-L692 VanDerWaalsContact O-CB 3.26Å; I688-L692 WeakPolarHBondContact O-CB 3.31Å; I688-L692 WeakPolarHBondContact O-CG 3.24Å; I688-L692 PolarHBondContact O-N 2.99Å
689L43.7Very low49.1Very low101 Ų101109.5 Ų109.553%0.52956%0.559SS.*Hα-helixtrans-64.3-42.2177.4-154.782.5000111.3N685 D686 L692 L693N685-L689 WeakPolarHBondContact O-CB 3.28Å; N685-L689 PolarHBondContact O-N 3.03Å; D686-L689 PolarHBondContact O-N 3.33Å; L689-L692 PolarHBondContact O-N 3Å; L689-L693 HydrophobicContact CD2-CD1 4.42Å; L689-L693 HydrophobicContact CG-CD1 4.26Å; L689-L693 WeakPolarHBondContact O-CB 3.48Å; L689-L693 VanDerWaalsContact O-CG 3.28Å; L689-L693 WeakPolarHBondContact O-CG 3.26Å; L689-L693 PolarHBondContact O-N 3.14Å
690L49.8Very low50.3Low84 Ų84109.2 Ų109.244%0.4455%0.55SS..Hα-helixtrans-65.5-42.1175.3-107.3111.3000111.9D686 Q687 L692 L693 K694D686-L690 VanDerWaalsContact O-CB 3.3Å; D686-L690 WeakPolarHBondContact O-CB 3.06Å; D686-L690 WeakPolarHBondContact O-CD1 3.44Å; D686-L690 PolarHBondContact O-N 3.43Å; Q687-L690 PolarHBondContact O-N 3.1Å; L690-L692 VanDerWaalsContact C-N 3.35Å; L690-L693 PolarHBondContact O-N 3.45Å; L690-K694 HydrophobicContact CD2-CD 4.35Å; L690-K694 WeakPolarHBondContact O-CB 3.36Å; L690-K694 VanDerWaalsContact O-CG 3.23Å; L690-K694 WeakPolarHBondContact O-CG 3.47Å; L690-K694 PolarHBondContact O-N 2.95Å
691K59Low51.4Low156 Ų156105.3 Ų105.368%0.67853%0.529SS*.Hα-helixtrans-65.7-39.6175-82.6-174.8173.6-173.40111.2Q687 I688 K694 S695Q687-K691 VanDerWaalsContact O-CB 3.26Å; Q687-K691 WeakPolarHBondContact O-CB 3.43Å; Q687-K691 WeakPolarHBondContact O-CG 3.28Å; Q687-K691 PolarHBondContact O-N 2.9Å; I688-K691 PolarHBondContact O-N 3.11Å; K691-K694 PolarHBondContact O-N 3.26Å; K691-S695 WeakPolarHBondContact O-CB 3.41Å; K691-S695 PolarHBondContact O-N 3.45Å
692L51.3Low52Low78 Ų7899.4 Ų99.441%0.40851%0.506SS..Hα-helixtrans-61.3-47.7173.9-78.9166.6000110.5I688 L689 L690 N698I688-L692 HydrophobicContact CG2-CD1 3.77Å; I688-L692 HydrophobicContact CG2-CG 4.31Å; I688-L692 VanDerWaalsContact O-CB 3.26Å; I688-L692 WeakPolarHBondContact O-CB 3.31Å; I688-L692 WeakPolarHBondContact O-CG 3.24Å; I688-L692 PolarHBondContact O-N 2.99Å; L689-L692 PolarHBondContact O-N 3Å; L690-L692 VanDerWaalsContact C-N 3.35Å; L692-N698 WeakPolarHBondContact CD2-ND2 3.48Å; L692-N698 WeakPolarHBondContact O-CB 3.27Å; L692-N698 PolarHBondContact O-ND2 3Å
693L52.2Low52.9Low91 Ų9196.4 Ų96.448%0.47649%0.489SS..Hα-helixtrans-75.2-25.7-179.4-69.3170.8000113.7L689 L690 L699 I702L689-L693 HydrophobicContact CD2-CD1 4.42Å; L689-L693 HydrophobicContact CG-CD1 4.26Å; L689-L693 WeakPolarHBondContact O-CB 3.48Å; L689-L693 VanDerWaalsContact O-CG 3.28Å; L689-L693 WeakPolarHBondContact O-CG 3.26Å; L689-L693 PolarHBondContact O-N 3.14Å; L690-L693 PolarHBondContact O-N 3.45Å; L693-L699 WeakPolarHBondContact O-CD1 3.49Å; L693-L699 WeakPolarHBondContact O-CG 3.47Å; L693-I702 HydrophobicContact CD2-CD1 4.28Å
694K61.4Low53.1Low163 Ų16399.7 Ų99.771%0.70950%0.496SS*.Hα-helixtrans-81.1-24.3175.8-78.5177.91691780113.1L690 K691 K696L690-K694 HydrophobicContact CD2-CD 4.35Å; L690-K694 WeakPolarHBondContact O-CB 3.36Å; L690-K694 VanDerWaalsContact O-CG 3.23Å; L690-K694 WeakPolarHBondContact O-CG 3.47Å; L690-K694 PolarHBondContact O-N 2.95Å; K691-K694 PolarHBondContact O-N 3.26Å; K694-K696 PolarHBondContact O-N 3.13Å
695S63.4Low53.3Low41 Ų4197.1 Ų97.129%0.28749%0.486SS..  trans-66.4116.6176.2163.50000109.8K691 S697 N698 L699K691-S695 WeakPolarHBondContact O-CB 3.41Å; K691-S695 PolarHBondContact O-N 3.45Å; S695-S697 PolarHBondContact O-N 2.99Å; S695-S697 PolarHBondContact OG-N 3.28Å; S695-N698 VanDerWaalsContact CB-ND2 3.31Å; S695-N698 WeakPolarHBondContact CB-ND2 3.49Å; S695-N698 PolarHBondContact O-N 2.84Å; S695-N698 PolarHBondContact OG-N 3.14Å; S695-N698 VanDerWaalsContact OG-N 3.17Å; S695-N698 PolarHBondContact OG-ND2 3.32Å; S695-L699 PolarHBondContact O-N 3.25Å
696K62.9Low53.7Low181 Ų18194.3 Ų94.379%0.78747%0.471SS*.Hα-helixtrans-57.9-35.6177.1-166.7167.9-1741730111.8K694 D700K694-K696 PolarHBondContact O-N 3.13Å; K696-D700 WeakPolarHBondContact O-CB 3.48Å; K696-D700 PolarHBondContact O-N 3.01Å
697S64.6Low54.1Low70 Ų7096 Ų9649%0.4948%0.48SS..Hα-helixtrans-65.4-40.2174.8153.70000112.5S695 D700 N701S695-S697 PolarHBondContact O-N 2.99Å; S695-S697 PolarHBondContact OG-N 3.28Å; S697-D700 CarbonylContact O-C 3.57Å; S697-D700 PolarHBondContact O-N 3.5Å; S697-N701 WeakPolarHBondContact O-CB 3.48Å; S697-N701 PolarHBondContact O-N 3.49Å; S697-N701 PolarHBondContact O-ND2 2.93Å
698N63.1Low53.9Low46 Ų4696.6 Ų96.625%0.24649%0.486CS..Hα-helixtrans-73.4-38178.3-72.2-25.7000111.2L692 S695 D700 N701 I702L692-N698 WeakPolarHBondContact CD2-ND2 3.48Å; L692-N698 WeakPolarHBondContact O-CB 3.27Å; L692-N698 PolarHBondContact O-ND2 3Å; S695-N698 VanDerWaalsContact CB-ND2 3.31Å; S695-N698 WeakPolarHBondContact CB-ND2 3.49Å; S695-N698 PolarHBondContact O-N 2.84Å; S695-N698 PolarHBondContact OG-N 3.14Å; S695-N698 VanDerWaalsContact OG-N 3.17Å; S695-N698 PolarHBondContact OG-ND2 3.32Å; N698-D700 VanDerWaalsContact C-N 3.28Å; N698-D700 PolarHBondContact O-N 3.03Å; N698-N701 CarbonylContact O-C 3.59Å; N698-N701 PolarHBondContact O-N 2.94Å; N698-I702 VanDerWaalsContact O-CB 3.26Å; N698-I702 WeakPolarHBondContact O-CB 3.47Å; N698-I702 WeakPolarHBondContact O-CD1 3.2Å; N698-I702 WeakPolarHBondContact O-CG1 3.41Å; N698-I702 PolarHBondContact O-N 3.25Å
699L55.7Low53.4Low92 Ų9294.3 Ų94.348%0.48249%0.485SS..Hα-helixtrans-59-41.6168-96.7163.3000111.2L693 S695 N701 I702 S703L693-L699 WeakPolarHBondContact O-CD1 3.49Å; L693-L699 WeakPolarHBondContact O-CG 3.47Å; S695-L699 PolarHBondContact O-N 3.25Å; L699-N701 VanDerWaalsContact C-N 3.34Å; L699-I702 PolarHBondContact O-N 2.84Å; L699-S703 WeakPolarHBondContact O-CA 3.25Å; L699-S703 WeakPolarHBondContact O-CB 3.43Å; L699-S703 PolarHBondContact O-N 2.87Å
700D55.1Low53.6Low90 Ų9096.4 Ų96.448%0.48149%0.492SS..Hα-helixtrans-68.1-33.4176-133.944.7000112K696 S697 N698 R704K696-D700 WeakPolarHBondContact O-CB 3.48Å; K696-D700 PolarHBondContact O-N 3.01Å; S697-D700 CarbonylContact O-C 3.57Å; S697-D700 PolarHBondContact O-N 3.5Å; N698-D700 VanDerWaalsContact C-N 3.28Å; N698-D700 PolarHBondContact O-N 3.03Å; D700-R704 WeakPolarHBondContact O-CA 3.4Å; D700-R704 WeakPolarHBondContact O-CB 3.49Å; D700-R704 PolarHBondContact O-N 2.88Å; D700-R704 IonicContact OD2-NH1 3.97Å
701N56.4Low54.1Low75 Ų7596.3 Ų96.340%0.40149%0.488SS..Hα-helixtrans-76.6-35175.8-80.1-23000112.8S697 N698 L699 H705S697-N701 WeakPolarHBondContact O-CB 3.48Å; S697-N701 PolarHBondContact O-N 3.49Å; S697-N701 PolarHBondContact O-ND2 2.93Å; N698-N701 CarbonylContact O-C 3.59Å; N698-N701 PolarHBondContact O-N 2.94Å; L699-N701 VanDerWaalsContact C-N 3.34Å; N701-H705 WeakPolarHBondContact O-CB 3.22Å; N701-H705 PolarHBondContact O-N 2.94Å; N701-H705 PolarHBondContact O-ND1 2.91Å
702I50.1Low54.5Low69 Ų6993.7 Ų93.735%0.35448%0.482SS..Hα-helixtrans-71.1-47.5173.2-70.8163.9000108.5L693 N698 L699 R704 H705 L706L693-I702 HydrophobicContact CD2-CD1 4.28Å; N698-I702 VanDerWaalsContact O-CB 3.26Å; N698-I702 WeakPolarHBondContact O-CB 3.47Å; N698-I702 WeakPolarHBondContact O-CD1 3.2Å; N698-I702 WeakPolarHBondContact O-CG1 3.41Å; N698-I702 PolarHBondContact O-N 3.25Å; L699-I702 PolarHBondContact O-N 2.84Å; I702-R704 VanDerWaalsContact C-N 3.33Å; I702-R704 PolarHBondContact O-N 3.21Å; I702-H705 CarbonylContact O-C 3.58Å; I702-H705 PolarHBondContact O-N 3.11Å; I702-H705 VanDerWaalsContact O-N 3.07Å; I702-L706 HydrophobicContact CG2-CD1 3.76Å; I702-L706 HydrophobicContact CG2-CG 4.27Å; I702-L706 WeakPolarHBondContact O-CB 3.48Å; I702-L706 WeakPolarHBondContact O-CG 3.39Å; I702-L706 PolarHBondContact O-N 3.14Å
703S53.9Low55.8Low48 Ų4891 Ų9134%0.33647%0.466SS..Hα-helixtrans-55.2-50.7169.7-1720000109.2L699 H705 L706 D707L699-S703 WeakPolarHBondContact O-CA 3.25Å; L699-S703 WeakPolarHBondContact O-CB 3.43Å; L699-S703 PolarHBondContact O-N 2.87Å; S703-H705 VanDerWaalsContact C-N 3.32Å; S703-H705 PolarHBondContact O-N 2.81Å; S703-L706 CarbonylContact O-C 3.21Å; S703-L706 PolarHBondContact O-N 3.24Å; S703-L706 VanDerWaalsContact O-N 3.16Å; S703-D707 WeakPolarHBondContact O-CA 3.4Å; S703-D707 WeakPolarHBondContact O-CB 3.47Å; S703-D707 PolarHBondContact O-N 3.11Å; S703-D707 VanDerWaalsContact O-OD2 3.05Å; S703-D707 PolarHBondContact OG-OD2 3.33Å
704R49.5Very low57Low141 Ų14190 Ų9053%0.53247%0.465SS..Hα-helixtrans-55.1-45.7172.8-107.8-173.3178.788.30.1111.7D700 I702 L706 D707 L708D700-R704 WeakPolarHBondContact O-CA 3.4Å; D700-R704 WeakPolarHBondContact O-CB 3.49Å; D700-R704 PolarHBondContact O-N 2.88Å; D700-R704 IonicContact OD2-NH1 3.97Å; I702-R704 VanDerWaalsContact C-N 3.33Å; I702-R704 PolarHBondContact O-N 3.21Å; R704-L706 VanDerWaalsContact C-N 3.35Å; R704-D707 CarbonylContact O-C 3.56Å; R704-D707 PolarHBondContact O-N 2.98Å; R704-L708 HydrophobicContact CB-CD1 4.07Å; R704-L708 HydrophobicContact CG-CD1 4.31Å; R704-L708 WeakPolarHBondContact O-CA 3.45Å; R704-L708 WeakPolarHBondContact O-CB 3.49Å; R704-L708 VanDerWaalsContact O-CD1 3.28Å; R704-L708 WeakPolarHBondContact O-CD1 3.27Å; R704-L708 WeakPolarHBondContact O-CG 3.4Å; R704-L708 PolarHBondContact O-N 3.33Å
705H47.6Very low57.7Low111 Ų11185.9 Ų85.951%0.51445%0.451SS..Hα-helixtrans-66.9-37-179.9-92.878.5000112.5N701 I702 S703N701-H705 WeakPolarHBondContact O-CB 3.22Å; N701-H705 PolarHBondContact O-N 2.94Å; N701-H705 PolarHBondContact O-ND1 2.91Å; I702-H705 CarbonylContact O-C 3.58Å; I702-H705 PolarHBondContact O-N 3.11Å; I702-H705 VanDerWaalsContact O-N 3.07Å; S703-H705 VanDerWaalsContact C-N 3.32Å; S703-H705 PolarHBondContact O-N 2.81Å
706L49.3Very low58.8Low66 Ų6684.1 Ų84.135%0.34644%0.439SS..Hα-helixtrans-68.6-39.7174.1-68.7168.9000111.2I702 S703 R704I702-L706 HydrophobicContact CG2-CD1 3.76Å; I702-L706 HydrophobicContact CG2-CG 4.27Å; I702-L706 WeakPolarHBondContact O-CB 3.48Å; I702-L706 WeakPolarHBondContact O-CG 3.39Å; I702-L706 PolarHBondContact O-N 3.14Å; S703-L706 CarbonylContact O-C 3.21Å; S703-L706 PolarHBondContact O-N 3.24Å; S703-L706 VanDerWaalsContact O-N 3.16Å; R704-L706 VanDerWaalsContact C-N 3.35Å
707D47.4Very low59.9Low126 Ų12678 Ų7867%0.67441%0.413SS*.Hα-helixtrans-80.2-31.3-178.4-70.3-34.1000112.6S703 R704 G709S703-D707 WeakPolarHBondContact O-CA 3.4Å; S703-D707 WeakPolarHBondContact O-CB 3.47Å; S703-D707 PolarHBondContact O-N 3.11Å; S703-D707 VanDerWaalsContact O-OD2 3.05Å; S703-D707 PolarHBondContact OG-OD2 3.33Å; R704-D707 CarbonylContact O-C 3.56Å; R704-D707 PolarHBondContact O-N 2.98Å; D707-G709 PolarHBondContact O-N 2.9Å; D707-G709 VanDerWaalsContact O-N 3.15Å
708L44.2Very low61.1Low108 Ų10874.6 Ų74.657%0.56539%0.39SS*.THydrogen-bonded Turntrans-71.7-0.6176.2-75.8165.4000111.8R704 Q710R704-L708 HydrophobicContact CB-CD1 4.07Å; R704-L708 HydrophobicContact CG-CD1 4.31Å; R704-L708 WeakPolarHBondContact O-CA 3.45Å; R704-L708 WeakPolarHBondContact O-CB 3.49Å; R704-L708 VanDerWaalsContact O-CD1 3.28Å; R704-L708 WeakPolarHBondContact O-CD1 3.27Å; R704-L708 WeakPolarHBondContact O-CG 3.4Å; R704-L708 PolarHBondContact O-N 3.33Å; L708-Q710 PolarHBondContact O-N 3.09Å; L708-Q710 VanDerWaalsContact O-N 3.07Å
709G39.9Very low62.4Low43 Ų4372.4 Ų72.444%0.44338%0.378SS..THydrogen-bonded Turntrans67.410.1172.300000114.3D707 F711D707-G709 PolarHBondContact O-N 2.9Å; D707-G709 VanDerWaalsContact O-N 3.15Å; G709-F711 PolarHBondContact O-N 3.36Å
710Q49.4Very low63.9Low145 Ų14571 Ų7168%0.67837%0.369SS*.  trans-82.913.6178.4-72.9-171.7-10.100113.3L708 D712L708-Q710 PolarHBondContact O-N 3.09Å; L708-Q710 VanDerWaalsContact O-N 3.07Å; Q710-D712 PolarHBondContact O-N 3.47Å; Q710-D712 VanDerWaalsContact O-N 3.14Å
711F60.1Low65.4Low83 Ų8366.7 Ų66.736%0.36435%0.346SS..  trans-87.657.9168.8-154.7-106.9000109.9G709 H814 L817G709-F711 PolarHBondContact O-N 3.36Å; F711-H814 AromaticContact CD1-CE1 3.13Å; F711-H814 WeakPolarHBondContact CD1-CE1 3.35Å; F711-H814 AromaticContact CD1-ND1 3.68Å; F711-H814 AromaticContact CD1-NE2 3.88Å; F711-H814 AromaticContact CE1-CE1 3.15Å; F711-H814 WeakPolarHBondContact CE1-CE1 3.29Å; F711-H814 AromaticContact CE1-ND1 3.15Å; F711-H814 WeakPolarHBondContact CE1-ND1 3.28Å; F711-H814 AromaticContact CZ-ND1 3.78Å; F711-H814 PolarHBondContact O-CE1 2.97Å; F711-H814 PolarHBondContact O-NE2 2.92Å; F711-L817 HydrophobicContact CE1-CB 4.32Å; F711-L817 HydrophobicContact CE1-CD1 3.77Å; F711-L817 HydrophobicContact CE2-CD1 4.48Å; F711-L817 HydrophobicContact CZ-CD1 3.36Å
712D66.6Low66.9Low101 Ų10163.1 Ų63.154%0.5433%0.327SS..PPolyproline II helixtrans-89125.8-179.8-77.1-34.1000110.4K631 Q710K631-D712 IonicContact NZ-OD1 2.72Å; K631-D712 PolarHBondContact NZ-OD1 3.27Å; Q710-D712 PolarHBondContact O-N 3.47Å; Q710-D712 VanDerWaalsContact O-N 3.14Å
713F78.3Confident68.6Low21 Ų2160.8 Ų60.89%0.09232%0.316CS..PPolyproline II helixtrans-64.2135.4167.2-167.9-108.2000109.8T627 C716 M810 Y811 H814T627-F713 HydrophobicContact CG2-CD1 3.64Å; T627-F713 HydrophobicContact CG2-CE1 3.9Å; F713-C716 WeakPolarHBondContact CE1-SG 3.44Å; F713-M810 HydrophobicContact CE2-CB 3.84Å; F713-M810 VanDerWaalsContact CE2-O 3.29Å; F713-M810 WeakPolarHBondContact CE2-O 3.31Å; F713-M810 HydrophobicContact CZ-CB 3.7Å; F713-Y811 AromaticContact CD1-CD2 3.77Å; F713-Y811 HydrophobicContact CD1-CD2 3.77Å; F713-Y811 HydrophobicContact CE1-CD2 4Å; F713-Y811 HydrophobicContact CE1-CG 4.43Å; F713-Y811 HydrophobicContact CG-CD2 4.09Å; F713-H814 HydrophobicContact CD2-CB 3.55Å; F713-H814 AromaticContact CD2-CG 3.7Å; F713-H814 AromaticContact CD2-ND1 4Å; F713-H814 HydrophobicContact CE2-CB 4.07Å; F713-H814 HydrophobicContact CG-CB 4.39Å
714P77.4Confident70.1Confident69 Ų6960.9 Ų60.945%0.44831%0.312SS..PPolyproline II helixtrans-55.4152.1-177.4-26.434.2000113.7T627 C716 P940T627-P714 PolarHBondContact OG1-O 3.47Å; P714-C716 PolarHBondContact O-N 2.98Å; P714-P940 HydrophobicContact CB-CB 3.92Å; P714-P940 HydrophobicContact CB-CG 4.14Å
715D76.4Confident71.8Confident77 Ų7754.3 Ų54.341%0.41229%0.287SS..SBendtrans-62.9109.4172.4-69.8-21.5000110.6N628N628-D715 PolarHBondContact ND2-OD1 2.94Å; N628-D715 PolarHBondContact OD1-OD1 3.17Å
716C86.1Confident73.7Confident5 Ų549.2 Ų49.23%0.03426%0.264CS..  trans-154.6177.9172.568.90000110.7T627 F713 P714 S938 P940T627-C716 WeakPolarHBondContact CG2-O 3.49Å; T627-C716 PolarHBondContact N-O 3.07Å; T627-C716 PolarHBondContact OG1-O 3.03Å; F713-C716 WeakPolarHBondContact CE1-SG 3.44Å; P714-C716 PolarHBondContact O-N 2.98Å; C716-S938 WeakPolarHBondContact CB-O 3.41Å; C716-P940 HydrophobicContact CB-CG 3.85Å
717M86.1Confident75.4Confident51 Ų5151 Ų5125%0.25127%0.269SS..EExtended strand (participates in β ladder)trans-99.3129.3173.9-54.8-57.9-65.700110.1M624 N807 S938M624-M717 HydrophobicContact CB-CB 4.18Å; M624-M717 HydrophobicContact CB-CE 3.55Å; M624-M717 HydrophobicContact CG-CB 4.38Å; M624-M717 HydrophobicContact SD-CB 4Å; M624-M717 HydrophobicContact SD-CG 4.25Å; M717-N807 WeakPolarHBondContact O-CB 3.48Å; M717-N807 PolarHBondContact O-ND2 3.44Å; M717-S938 PolarHBondContact N-O 3.36Å
718V90Very high77.1Confident0 Ų046.5 Ų46.50%024%0.244CC..EExtended strand (participates in β ladder)trans-111.4159.2171.4-67.10000109.2M624 C625 T627 L630 N807 D808 Y811M624-V718 WeakPolarHBondContact CA-O 3.38Å; C625-V718 PolarHBondContact N-O 3.03Å; C625-V718 PolarHBondContact O-N 3.39Å; C625-V718 VanDerWaalsContact O-N 3.09Å; T627-V718 HydrophobicContact CG2-CG1 3.8Å; T627-V718 HydrophobicContact CG2-CG2 4.13Å; L630-V718 HydrophobicContact CD1-CG2 4.16Å; V718-N807 HydrophobicContact CG1-CB 4.27Å; V718-D808 WeakPolarHBondContact CA-OD1 3.3Å; V718-D808 WeakPolarHBondContact CB-OD1 3.25Å; V718-Y811 HydrophobicContact CG1-CG 4.08Å
719S90.2Very high79Confident0 Ų041.4 Ų41.40%022%0.217CC..EExtended strand (participates in β ladder)trans-71.2146.5174.571.80000111.2F621 T721 V722 D808F621-S719 WeakPolarHBondContact O-CB 3.39Å; S719-T721 PolarHBondContact O-N 3.19Å; S719-V722 PolarHBondContact O-N 3.13Å; S719-V722 PolarHBondContact OG-N 3.29Å; S719-D808 VanDerWaalsContact CB-OD2 3.27Å; S719-D808 WeakPolarHBondContact CB-OD2 3.42Å; S719-D808 PolarHBondContact N-OD1 3.41Å; S719-D808 VanDerWaalsContact OG-CG 3.26Å; S719-D808 PolarHBondContact OG-OD1 2.9Å; S719-D808 PolarHBondContact OG-OD2 3.41Å
720E87.1Confident81Confident61 Ų6143.7 Ų43.729%0.28521%0.213SC..Hα-helixtrans-60.5-24.9171-171173.9-174.300111.3L620 S623 V722 D723 L724L620-E720 HydrophobicContact CD2-CB 4.43Å; L620-E720 HydrophobicContact CD2-CG 4.16Å; S623-E720 WeakPolarHBondContact CB-OE2 3.47Å; S623-E720 PolarHBondContact O-N 3.27Å; S623-E720 PolarHBondContact OG-OE2 3.08Å; E720-V722 PolarHBondContact O-N 2.94Å; E720-D723 PolarHBondContact O-N 2.7Å; E720-L724 HydrophobicContact CG-CD1 4.3Å; E720-L724 HydrophobicContact CG-CG 4.46Å; E720-L724 WeakPolarHBondContact O-CG 3.3Å; E720-L724 PolarHBondContact O-N 2.87Å
721T86.8Confident82.5Confident0 Ų042.2 Ų42.20%020%0.204CC..Hα-helixtrans-60.8-44.6176.9-53.40000111.8L615 L620 F621 S719 L724 V725L615-T721 HydrophobicContact CD2-CG2 3.84Å; L620-T721 VanDerWaalsContact C-OG1 3.26Å; L620-T721 WeakPolarHBondContact CB-OG1 3.35Å; L620-T721 PolarHBondContact O-OG1 2.98Å; F621-T721 HydrophobicContact CD2-CG2 4.27Å; F621-T721 HydrophobicContact CE1-CG2 4.43Å; F621-T721 HydrophobicContact CE2-CG2 3.61Å; F621-T721 HydrophobicContact CZ-CG2 3.69Å; F621-T721 PolarHBondContact N-OG1 3.07Å; S719-T721 PolarHBondContact O-N 3.19Å; T721-L724 PolarHBondContact O-N 3.39Å; T721-V725 HydrophobicContact CG2-CG2 4.45Å; T721-V725 VanDerWaalsContact O-CG2 3.27Å; T721-V725 WeakPolarHBondContact O-CG2 3.41Å; T721-V725 PolarHBondContact O-N 3.4Å
722V88.8Confident83.4Confident0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-67.9-38179.9169.60000112.1S719 E720 V725 M726 F783 D808 Y811 L812S719-V722 PolarHBondContact O-N 3.13Å; S719-V722 PolarHBondContact OG-N 3.29Å; E720-V722 PolarHBondContact O-N 2.94Å; V722-V725 PolarHBondContact O-N 3.43Å; V722-M726 WeakPolarHBondContact O-CG 3.45Å; V722-M726 PolarHBondContact O-N 3Å; V722-F783 HydrophobicContact CG2-CD2 4.29Å; V722-F783 HydrophobicContact CG2-CE1 4.37Å; V722-F783 HydrophobicContact CG2-CE2 3.38Å; V722-F783 HydrophobicContact CG2-CZ 3.44Å; V722-F783 VanDerWaalsContact CG2-CZ 3.44Å; V722-D808 HydrophobicContact CG2-CB 3.53Å; V722-Y811 HydrophobicContact CG1-CD1 3.55Å; V722-Y811 HydrophobicContact CG1-CE1 4.04Å; V722-L812 HydrophobicContact CG1-CD1 4.43Å; V722-L812 HydrophobicContact CG1-CD2 3.73Å; V722-L812 HydrophobicContact CG1-CG 3.77Å; V722-L812 HydrophobicContact CG2-CD1 4.34Å; V722-L812 HydrophobicContact CG2-CG 4.49Å
723D85.5Confident83.8Confident21 Ų2134.2 Ų34.211%0.11217%0.165CC..Hα-helixtrans-59.1-47.2173.1-178.246000111.2L630 E720 V725 M726 K727L630-D723 HydrophobicContact CD2-CB 3.81Å; L630-D723 VanDerWaalsContact CD2-OD1 3.23Å; L630-D723 WeakPolarHBondContact CD2-OD1 3.18Å; L630-D723 HydrophobicContact CG-CB 4.32Å; L630-D723 WeakPolarHBondContact CG-OD1 3.46Å; E720-D723 PolarHBondContact O-N 2.7Å; D723-V725 PolarHBondContact O-N 3.01Å; D723-M726 PolarHBondContact O-N 2.91Å; D723-K727 WeakPolarHBondContact O-CB 3.48Å; D723-K727 WeakPolarHBondContact O-CG 3.29Å; D723-K727 PolarHBondContact O-N 3.3Å; D723-K727 WeakPolarHBondContact OD1-CE 3.44Å; D723-K727 IonicContact OD1-NZ 2.71Å; D723-K727 VanDerWaalsContact OD2-CE 3.27Å; D723-K727 WeakPolarHBondContact OD2-CE 3.45Å; D723-K727 IonicContact OD2-NZ 2.96Å; D723-K727 PolarHBondContact OD2-NZ 3.49Å
724L85.5Confident83.8Confident49 Ų4938.9 Ų38.926%0.25719%0.187SC..Hα-helixtrans-64.1-39.9177.4-70.1172.6000112.8L614 L620 E720 T721 K727 Q728L614-L724 HydrophobicContact CD2-CB 4.4Å; L614-L724 HydrophobicContact CD2-CD1 4.06Å; L620-L724 HydrophobicContact CD1-CD1 3.99Å; L620-L724 HydrophobicContact CD2-CD1 4.02Å; E720-L724 HydrophobicContact CG-CD1 4.3Å; E720-L724 HydrophobicContact CG-CG 4.46Å; E720-L724 WeakPolarHBondContact O-CG 3.3Å; E720-L724 PolarHBondContact O-N 2.87Å; T721-L724 PolarHBondContact O-N 3.39Å; L724-K727 PolarHBondContact O-N 3.26Å; L724-Q728 WeakPolarHBondContact O-CB 3.22Å; L724-Q728 PolarHBondContact O-N 3.42Å
725V86.3Confident83.6Confident3 Ų339.7 Ų39.72%0.01819%0.188CC..Hα-helixtrans-62.1-44.8175.3169.30000110.8L611 L615 T721 V722 D723 Q728 I729L611-V725 HydrophobicContact CD2-CG1 4.44Å; L611-V725 HydrophobicContact CD2-CG2 4.17Å; L615-V725 HydrophobicContact CD2-CG2 3.97Å; T721-V725 HydrophobicContact CG2-CG2 4.45Å; T721-V725 VanDerWaalsContact O-CG2 3.27Å; T721-V725 WeakPolarHBondContact O-CG2 3.41Å; T721-V725 PolarHBondContact O-N 3.4Å; V722-V725 PolarHBondContact O-N 3.43Å; D723-V725 PolarHBondContact O-N 3.01Å; V725-Q728 PolarHBondContact O-N 2.97Å; V725-I729 HydrophobicContact CG1-CD1 4.03Å; V725-I729 WeakPolarHBondContact O-CG1 3.31Å; V725-I729 PolarHBondContact O-N 3.13Å
726M87.3Confident83.4Confident5 Ų536.7 Ų36.73%0.02517%0.173CC..Hα-helixtrans-64.9-44177-72.5-57.7-59.200111.6V722 D723 Q728 I729 Y730 L812 E815 L819V722-M726 WeakPolarHBondContact O-CG 3.45Å; V722-M726 PolarHBondContact O-N 3Å; D723-M726 PolarHBondContact O-N 2.91Å; M726-Q728 VanDerWaalsContact C-N 3.3Å; M726-Q728 PolarHBondContact O-N 3.05Å; M726-I729 PolarHBondContact O-N 2.94Å; M726-I729 VanDerWaalsContact O-N 3.16Å; M726-I729 HydrophobicContact SD-CD1 4.31Å; M726-Y730 HydrophobicContact CB-CE2 4.5Å; M726-Y730 HydrophobicContact CE-CD2 4.39Å; M726-Y730 HydrophobicContact CE-CE2 3.6Å; M726-Y730 WeakPolarHBondContact O-CD2 3.17Å; M726-Y730 PolarHBondContact O-N 3.28Å; M726-L812 HydrophobicContact CG-CD2 4.04Å; M726-L812 HydrophobicContact SD-CD2 3.7Å; M726-E815 HydrophobicContact CE-CB 3.74Å; M726-E815 HydrophobicContact CE-CG 3.97Å; M726-E815 HydrophobicContact SD-CB 4.28Å; M726-E815 HydrophobicContact SD-CG 4.46Å; M726-L819 HydrophobicContact CE-CD2 4.3Å
727K85.2Confident82.7Confident103 Ų10338.7 Ų38.745%0.44818%0.181SC..Hα-helixtrans-57.6-41.8173.8-76.4170.7176.2166.80112.1D723 L724 Y730 K731D723-K727 WeakPolarHBondContact O-CB 3.48Å; D723-K727 WeakPolarHBondContact O-CG 3.29Å; D723-K727 PolarHBondContact O-N 3.3Å; D723-K727 WeakPolarHBondContact OD1-CE 3.44Å; D723-K727 IonicContact OD1-NZ 2.71Å; D723-K727 VanDerWaalsContact OD2-CE 3.27Å; D723-K727 WeakPolarHBondContact OD2-CE 3.45Å; D723-K727 IonicContact OD2-NZ 2.96Å; D723-K727 PolarHBondContact OD2-NZ 3.49Å; L724-K727 PolarHBondContact O-N 3.26Å; K727-Y730 PolarHBondContact O-N 2.95Å; K727-K731 VanDerWaalsContact O-CB 3.32Å; K727-K731 WeakPolarHBondContact O-CB 3.5Å; K727-K731 PolarHBondContact O-N 3.14Å
728Q81.7Confident81.9Confident31 Ų3138.7 Ų38.715%0.14519%0.189CC..Hα-helixtrans-65.2-41.6176.2-172.370.3700111.6E610 L611 L724 V725 M726 K731 I732E610-Q728 PolarHBondContact OE2-NE2 3.24Å; E610-Q728 VanDerWaalsContact OE2-NE2 3.16Å; L611-Q728 HydrophobicContact CD2-CG 4.45Å; L724-Q728 WeakPolarHBondContact O-CB 3.22Å; L724-Q728 PolarHBondContact O-N 3.42Å; V725-Q728 PolarHBondContact O-N 2.97Å; M726-Q728 VanDerWaalsContact C-N 3.3Å; M726-Q728 PolarHBondContact O-N 3.05Å; Q728-K731 PolarHBondContact O-N 3.49Å; Q728-I732 HydrophobicContact CG-CD1 4.12Å; Q728-I732 WeakPolarHBondContact O-CD1 3.47Å; Q728-I732 VanDerWaalsContact O-CG1 3.24Å; Q728-I732 WeakPolarHBondContact O-CG1 3.23Å; Q728-I732 PolarHBondContact O-N 2.84Å
729I84Confident80.8Confident1 Ų143.6 Ų43.61%0.00521%0.209CC..Hα-helixtrans-61.1-47.9175.9-74.2166.5000111.1V725 M726 K731 I732 L733 I776 I780 L819V725-I729 HydrophobicContact CG1-CD1 4.03Å; V725-I729 WeakPolarHBondContact O-CG1 3.31Å; V725-I729 PolarHBondContact O-N 3.13Å; M726-I729 PolarHBondContact O-N 2.94Å; M726-I729 VanDerWaalsContact O-N 3.16Å; M726-I729 HydrophobicContact SD-CD1 4.31Å; I729-K731 VanDerWaalsContact C-N 3.32Å; I729-K731 PolarHBondContact O-N 3.01Å; I729-I732 PolarHBondContact O-N 3.27Å; I729-L733 HydrophobicContact CG2-CD1 4.39Å; I729-L733 WeakPolarHBondContact O-CG 3.38Å; I729-L733 PolarHBondContact O-N 3.03Å; I729-I776 HydrophobicContact CG2-CD1 4.2Å; I729-I776 HydrophobicContact CG2-CG2 3.8Å; I729-I780 HydrophobicContact CD1-CD1 4.19Å; I729-I780 HydrophobicContact CD1-CG1 3.52Å; I729-L819 HydrophobicContact CG2-CD2 4.26Å
730Y82.6Confident79.6Confident92 Ų9244 Ų4436%0.36121%0.211SC..Hα-helixtrans-64.2-37177.1-74.8-64.2000112.1M726 K727 L733 H734 E815 L819M726-Y730 HydrophobicContact CB-CE2 4.5Å; M726-Y730 HydrophobicContact CE-CD2 4.39Å; M726-Y730 HydrophobicContact CE-CE2 3.6Å; M726-Y730 WeakPolarHBondContact O-CD2 3.17Å; M726-Y730 PolarHBondContact O-N 3.28Å; K727-Y730 PolarHBondContact O-N 2.95Å; Y730-L733 HydrophobicContact CD1-CD1 4.48Å; Y730-L733 PolarHBondContact O-N 3.19Å; Y730-H734 WeakPolarHBondContact O-CB 3.37Å; Y730-H734 PolarHBondContact O-N 3.27Å; Y730-E815 PolarHBondContact OH-OE2 2.95Å; Y730-L819 HydrophobicContact CD1-CD1 4.31Å; Y730-L819 HydrophobicContact CE1-CD1 3.52Å
731K81Confident78.7Confident114 Ų11446.9 Ų46.950%0.49622%0.224SC..Hα-helixtrans-62.4-45.3173-176.6-177.6175.1-171.70112.1K727 Q728 I729 L733 H734 D735K727-K731 VanDerWaalsContact O-CB 3.32Å; K727-K731 WeakPolarHBondContact O-CB 3.5Å; K727-K731 PolarHBondContact O-N 3.14Å; Q728-K731 PolarHBondContact O-N 3.49Å; I729-K731 VanDerWaalsContact C-N 3.32Å; I729-K731 PolarHBondContact O-N 3.01Å; K731-L733 VanDerWaalsContact C-N 3.31Å; K731-L733 PolarHBondContact O-N 2.73Å; K731-H734 PolarHBondContact O-N 3.25Å; K731-D735 WeakPolarHBondContact O-CB 3.49Å; K731-D735 VanDerWaalsContact O-CG 3.31Å; K731-D735 PolarHBondContact O-N 2.96Å
732I78Confident77.6Confident11 Ų1150.5 Ų50.56%0.05625%0.248CC..Hα-helixtrans-59.6-43.8176.7-69.6161.3000110.6I607 Q728 I729 D735 C736 I776 L779I607-I732 HydrophobicContact CD1-CD1 4.38Å; I607-I732 HydrophobicContact CD1-CG1 4.33Å; I607-I732 HydrophobicContact CG2-CD1 3.61Å; Q728-I732 HydrophobicContact CG-CD1 4.12Å; Q728-I732 WeakPolarHBondContact O-CD1 3.47Å; Q728-I732 VanDerWaalsContact O-CG1 3.24Å; Q728-I732 WeakPolarHBondContact O-CG1 3.23Å; Q728-I732 PolarHBondContact O-N 2.84Å; I729-I732 PolarHBondContact O-N 3.27Å; I732-D735 PolarHBondContact O-N 3.19Å; I732-C736 WeakPolarHBondContact O-CB 3.24Å; I732-C736 PolarHBondContact O-N 3Å; I732-C736 PolarHBondContact O-SG 3.47Å; I732-I776 HydrophobicContact CG2-CD1 4.16Å; I732-L779 HydrophobicContact CD1-CD1 3.87Å
733L76.5Confident76.2Confident5 Ų552.4 Ų52.43%0.02626%0.257CS..Hα-helixtrans-59.3-48.6175.9-74171.2000110.9I729 Y730 K731 D735 C736 E737 I772 I776 L819 L824I729-L733 HydrophobicContact CG2-CD1 4.39Å; I729-L733 WeakPolarHBondContact O-CG 3.38Å; I729-L733 PolarHBondContact O-N 3.03Å; Y730-L733 HydrophobicContact CD1-CD1 4.48Å; Y730-L733 PolarHBondContact O-N 3.19Å; K731-L733 VanDerWaalsContact C-N 3.31Å; K731-L733 PolarHBondContact O-N 2.73Å; L733-D735 PolarHBondContact O-N 2.98Å; L733-C736 WeakPolarHBondContact O-CB 3.41Å; L733-C736 PolarHBondContact O-N 3.4Å; L733-E737 WeakPolarHBondContact O-CG 3.36Å; L733-E737 PolarHBondContact O-N 3.18Å; L733-I772 HydrophobicContact CD2-CG2 4.17Å; L733-I776 HydrophobicContact CD2-CD1 4.47Å; L733-I776 HydrophobicContact CD2-CG1 4.07Å; L733-I776 HydrophobicContact CG-CD1 4.45Å; L733-I776 HydrophobicContact CG-CG1 4.45Å; L733-L819 HydrophobicContact CD1-CD1 4.33Å; L733-L824 HydrophobicContact CD2-CD2 3.74Å; L733-L824 HydrophobicContact CD2-CG 4.48Å
734H78Confident74.9Confident118 Ų11853 Ų5355%0.54626%0.26SS..Hα-helixtrans-62.1-42.9178.5-172.859.8000113.3Y730 K731 C736 E737 A738Y730-H734 WeakPolarHBondContact O-CB 3.37Å; Y730-H734 PolarHBondContact O-N 3.27Å; K731-H734 PolarHBondContact O-N 3.25Å; H734-C736 VanDerWaalsContact C-N 3.27Å; H734-C736 PolarHBondContact O-N 2.9Å; H734-E737 IonicContact ND1-OE2 3.02Å; H734-E737 WeakPolarHBondContact O-CB 3.5Å; H734-E737 PolarHBondContact O-N 3.01Å; H734-A738 WeakPolarHBondContact O-CB 3.37Å; H734-A738 PolarHBondContact O-N 3.03Å
735D72.4Confident73.8Confident87 Ų8754.6 Ų54.647%0.46527%0.269SS..Hα-helixtrans-64.4-34.2176.9-69.7-17.2000111.2K731 I732 L733 Y739K731-D735 WeakPolarHBondContact O-CB 3.49Å; K731-D735 VanDerWaalsContact O-CG 3.31Å; K731-D735 PolarHBondContact O-N 2.96Å; I732-D735 PolarHBondContact O-N 3.19Å; L733-D735 PolarHBondContact O-N 2.98Å; D735-Y739 WeakPolarHBondContact O-CB 3.46Å; D735-Y739 PolarHBondContact O-N 3.29Å
736C73Confident72.5Confident14 Ų1459.3 Ų59.310%0.09529%0.291CS..Hα-helixtrans-72.3-38.6175-66.50000112.4I732 L733 H734 Y739 L740 F768 I772 F827I732-C736 WeakPolarHBondContact O-CB 3.24Å; I732-C736 PolarHBondContact O-N 3Å; I732-C736 PolarHBondContact O-SG 3.47Å; L733-C736 WeakPolarHBondContact O-CB 3.41Å; L733-C736 PolarHBondContact O-N 3.4Å; H734-C736 VanDerWaalsContact C-N 3.27Å; H734-C736 PolarHBondContact O-N 2.9Å; C736-Y739 PolarHBondContact O-N 2.95Å; C736-L740 WeakPolarHBondContact O-CG 3.41Å; C736-L740 PolarHBondContact O-N 3.11Å; C736-L740 VanDerWaalsContact O-N 3.08Å; C736-F768 HydrophobicContact CB-CE1 4.24Å; C736-F768 HydrophobicContact CB-CZ 4.18Å; C736-I772 VanDerWaalsContact SG-CD1 3.5Å; C736-F827 HydrophobicContact CB-CE2 3.72Å; C736-F827 HydrophobicContact CB-CZ 4.12Å
737E70.7Confident70.9Confident46 Ų4659.6 Ų59.622%0.21529%0.293CS..Hα-helixtrans-58.3-51.8171.7-72172.1173.900110.1L733 H734 Y739 L740 E741 F827L733-E737 WeakPolarHBondContact O-CG 3.36Å; L733-E737 PolarHBondContact O-N 3.18Å; H734-E737 IonicContact ND1-OE2 3.02Å; H734-E737 WeakPolarHBondContact O-CB 3.5Å; H734-E737 PolarHBondContact O-N 3.01Å; E737-Y739 VanDerWaalsContact C-N 3.28Å; E737-Y739 PolarHBondContact O-N 3.43Å; E737-L740 PolarHBondContact O-N 3.34Å; E737-L740 VanDerWaalsContact O-N 3.13Å; E737-E741 PolarHBondContact O-N 2.92Å; E737-E741 VanDerWaalsContact O-N 3.07Å; E737-F827 HydrophobicContact CG-CD2 3.62Å; E737-F827 HydrophobicContact CG-CE2 4.34Å
738A70Confident69.6Low51 Ų5157.1 Ų57.142%0.42129%0.289SS..Hα-helixtrans-62.9-31.3179.200000113.3H734 P742H734-A738 WeakPolarHBondContact O-CB 3.37Å; H734-A738 PolarHBondContact O-N 3.03Å; A738-P742 WeakPolarHBondContact O-CD 3.32Å
739Y66.4Low68.4Low104 Ų10463.2 Ų63.241%0.40832%0.317SS..Hα-helixtrans-71.5-36.7175178-104.1000112.8D735 C736 E737 P742 I743 F768D735-Y739 WeakPolarHBondContact O-CB 3.46Å; D735-Y739 PolarHBondContact O-N 3.29Å; C736-Y739 PolarHBondContact O-N 2.95Å; E737-Y739 VanDerWaalsContact C-N 3.28Å; E737-Y739 PolarHBondContact O-N 3.43Å; Y739-P742 WeakPolarHBondContact O-CD 3.32Å; Y739-I743 HydrophobicContact CD1-CD1 4.05Å; Y739-I743 HydrophobicContact CE1-CD1 3.47Å; Y739-I743 VanDerWaalsContact CE1-CD1 3.47Å; Y739-I743 HydrophobicContact CE2-CD1 4.27Å; Y739-F768 HydrophobicContact CD1-CE1 4.12Å; Y739-F768 HydrophobicContact CD1-CZ 4.12Å
740L65Low66.8Low7 Ų764 Ų644%0.03732%0.323CS..Hα-helixtrans-73.6-35.5179.5-80.3166.9000112.1C736 E737 I743 I744 T765 F768 V769 F827C736-L740 WeakPolarHBondContact O-CG 3.41Å; C736-L740 PolarHBondContact O-N 3.11Å; C736-L740 VanDerWaalsContact O-N 3.08Å; E737-L740 PolarHBondContact O-N 3.34Å; E737-L740 VanDerWaalsContact O-N 3.13Å; L740-I743 PolarHBondContact O-N 3.49Å; L740-I743 VanDerWaalsContact O-N 3.1Å; L740-I744 HydrophobicContact CB-CD1 3.91Å; L740-I744 VanDerWaalsContact O-CB 3.27Å; L740-I744 WeakPolarHBondContact O-CB 3.42Å; L740-I744 VanDerWaalsContact O-CG1 3.26Å; L740-I744 WeakPolarHBondContact O-CG1 3.28Å; L740-I744 PolarHBondContact O-N 3.44Å; L740-T765 HydrophobicContact CD2-CG2 3.42Å; L740-T765 VanDerWaalsContact CD2-CG2 3.42Å; L740-F768 HydrophobicContact CD1-CD1 4.3Å; L740-F768 HydrophobicContact CD1-CE1 4.18Å; L740-F768 HydrophobicContact CD2-CD1 4.13Å; L740-F768 HydrophobicContact CD2-CE1 4.48Å; L740-F768 HydrophobicContact CG-CD1 4.26Å; L740-F768 HydrophobicContact CG-CE1 4.13Å; L740-V769 HydrophobicContact CD1-CG2 4.29Å; L740-F827 HydrophobicContact CD1-CD2 4.39Å; L740-F827 HydrophobicContact CD1-CE2 3.39Å; L740-F827 HydrophobicContact CD1-CZ 3.5Å
741E68Low65.3Low123 Ų12362.7 Ų62.758%0.57532%0.322SS*.Hα-helixtrans-52.1-46.7-176.1-164161.5-16300115.2E737 I744 N745E737-E741 PolarHBondContact O-N 2.92Å; E737-E741 VanDerWaalsContact O-N 3.07Å; E741-I744 WeakPolarHBondContact O-CB 3.28Å; E741-I744 PolarHBondContact O-N 3.16Å; E741-N745 VanDerWaalsContact O-CG 3.27Å; E741-N745 PolarHBondContact O-N 3.31Å; E741-N745 PolarHBondContact O-ND2 3.47Å
742P63.1Low63.9Low76 Ų7664.8 Ų64.849%0.49434%0.338SS..Hα-helixtrans-70.8-36.8174.925.5-32.9000113.4A738 Y739 I744 N745 E746A738-P742 WeakPolarHBondContact O-CD 3.32Å; Y739-P742 WeakPolarHBondContact O-CD 3.32Å; P742-I744 VanDerWaalsContact C-N 3.27Å; P742-I744 PolarHBondContact O-N 2.88Å; P742-N745 PolarHBondContact O-N 3.38Å; P742-E746 WeakPolarHBondContact O-CB 3.08Å; P742-E746 PolarHBondContact O-N 2.97Å
743I60Low62.3Low39 Ų3969.5 Ų69.520%0.236%0.364CS..Hα-helixtrans-63.6-40.5176.5-62.4174.1000109.5Y739 L740 E746 V747Y739-I743 HydrophobicContact CD1-CD1 4.05Å; Y739-I743 HydrophobicContact CE1-CD1 3.47Å; Y739-I743 VanDerWaalsContact CE1-CD1 3.47Å; Y739-I743 HydrophobicContact CE2-CD1 4.27Å; L740-I743 PolarHBondContact O-N 3.49Å; L740-I743 VanDerWaalsContact O-N 3.1Å; I743-E746 PolarHBondContact O-N 3.39Å; I743-V747 VanDerWaalsContact O-CG2 3.27Å; I743-V747 WeakPolarHBondContact O-CG2 3.4Å; I743-V747 PolarHBondContact O-N 3.45Å
744I59.3Low60.9Low33 Ų3373.5 Ų73.517%0.16939%0.388CS..Hα-helixtrans-59.7-49.4173.2-79.4166.3000110.9L740 E741 P742 E746 V747 S748 L834L740-I744 HydrophobicContact CB-CD1 3.91Å; L740-I744 VanDerWaalsContact O-CB 3.27Å; L740-I744 WeakPolarHBondContact O-CB 3.42Å; L740-I744 VanDerWaalsContact O-CG1 3.26Å; L740-I744 WeakPolarHBondContact O-CG1 3.28Å; L740-I744 PolarHBondContact O-N 3.44Å; E741-I744 WeakPolarHBondContact O-CB 3.28Å; E741-I744 PolarHBondContact O-N 3.16Å; P742-I744 VanDerWaalsContact C-N 3.27Å; P742-I744 PolarHBondContact O-N 2.88Å; I744-E746 VanDerWaalsContact C-N 3.28Å; I744-E746 PolarHBondContact O-N 3.02Å; I744-V747 PolarHBondContact O-N 3.27Å; I744-S748 PolarHBondContact O-N 3.48Å; I744-S748 PolarHBondContact O-OG 2.84Å; I744-L834 HydrophobicContact CB-CD2 3.97Å; I744-L834 HydrophobicContact CG1-CD2 4Å; I744-L834 HydrophobicContact CG2-CD2 3.43Å; I744-L834 VanDerWaalsContact CG2-CD2 3.43Å
745N62.1Low59.4Low83 Ų8372.5 Ų72.544%0.44439%0.392SS..Hα-helixtrans-64-32178-73.6-29.5000113E741 P742 S748 Q749E741-N745 VanDerWaalsContact O-CG 3.27Å; E741-N745 PolarHBondContact O-N 3.31Å; E741-N745 PolarHBondContact O-ND2 3.47Å; P742-N745 PolarHBondContact O-N 3.38Å; N745-S748 PolarHBondContact O-OG 3.21Å; N745-Q749 VanDerWaalsContact O-CG 3.3Å; N745-Q749 WeakPolarHBondContact O-CG 3.37Å; N745-Q749 PolarHBondContact O-N 3.2Å
746E59.3Low58.3Low103 Ų10372.6 Ų72.648%0.48140%0.4SS..Hα-helixtrans-75.5-40.3177.2-156.3-172.3-153.600111.4P742 I743 I744 Q749 S750 K761P742-E746 WeakPolarHBondContact O-CB 3.08Å; P742-E746 PolarHBondContact O-N 2.97Å; I743-E746 PolarHBondContact O-N 3.39Å; I744-E746 VanDerWaalsContact C-N 3.28Å; I744-E746 PolarHBondContact O-N 3.02Å; E746-Q749 PolarHBondContact O-N 3.42Å; E746-S750 VanDerWaalsContact O-CB 3.29Å; E746-S750 WeakPolarHBondContact O-CB 3.4Å; E746-S750 PolarHBondContact O-N 3.39Å; E746-S750 PolarHBondContact O-OG 2.89Å; E746-K761 VanDerWaalsContact CD-NZ 3.26Å; E746-K761 IonicContact OE1-NZ 3.33Å; E746-K761 IonicContact OE2-NZ 3.05Å; E746-K761 PolarHBondContact OE2-NZ 3.16Å
747V53.5Low57Low10 Ų1075.3 Ų75.36%0.06142%0.416CS..Hα-helixtrans-62.4-43.4175.5169.60000111I743 I744 Q749 S750 L751 L758 K761 I838I743-V747 VanDerWaalsContact O-CG2 3.27Å; I743-V747 WeakPolarHBondContact O-CG2 3.4Å; I743-V747 PolarHBondContact O-N 3.45Å; I744-V747 PolarHBondContact O-N 3.27Å; V747-Q749 PolarHBondContact O-N 3.46Å; V747-S750 WeakPolarHBondContact CA-OG 3.19Å; V747-S750 PolarHBondContact O-N 2.89Å; V747-S750 PolarHBondContact O-OG 3.12Å; V747-L751 PolarHBondContact O-N 2.98Å; V747-L758 HydrophobicContact CG1-CD1 3.91Å; V747-K761 HydrophobicContact CG2-CB 4.49Å; V747-I838 HydrophobicContact CG1-CD1 3.64Å
748S57.3Low56Low52 Ų5274.1 Ų74.136%0.36441%0.411SS..Hα-helixtrans-66.9-33.2178.164.50000113.1I744 N745I744-S748 PolarHBondContact O-N 3.48Å; I744-S748 PolarHBondContact O-OG 2.84Å; N745-S748 PolarHBondContact O-OG 3.21Å
749Q56.6Low55.1Low158 Ų15876.3 Ų76.374%0.73842%0.416SS*.Hα-helixtrans-74.8-34.8173.2-72.9176.71800112.8N745 E746 V747 L751N745-Q749 VanDerWaalsContact O-CG 3.3Å; N745-Q749 WeakPolarHBondContact O-CG 3.37Å; N745-Q749 PolarHBondContact O-N 3.2Å; E746-Q749 PolarHBondContact O-N 3.42Å; V747-Q749 PolarHBondContact O-N 3.46Å; Q749-L751 PolarHBondContact O-N 3.33Å
750S50.4Low54.4Low18 Ų1874.3 Ų74.313%0.12642%0.417CS..G310 helixtrans-78.49.7-179.772.30000114.5E746 V747 N752 D753E746-S750 VanDerWaalsContact O-CB 3.29Å; E746-S750 WeakPolarHBondContact O-CB 3.4Å; E746-S750 PolarHBondContact O-N 3.39Å; E746-S750 PolarHBondContact O-OG 2.89Å; V747-S750 WeakPolarHBondContact CA-OG 3.19Å; V747-S750 PolarHBondContact O-N 2.89Å; V747-S750 PolarHBondContact O-OG 3.12Å; S750-N752 PolarHBondContact O-N 3.5Å; S750-D753 WeakPolarHBondContact O-CB 3.4Å; S750-D753 PolarHBondContact O-N 3.47Å
751L51.7Low53.9Low65 Ų6577.3 Ų77.334%0.3443%0.43SS..G310 helixtrans-60.5-16.9-179.1-142.579.2000113.5V747 Q749 I838 N841V747-L751 PolarHBondContact O-N 2.98Å; Q749-L751 PolarHBondContact O-N 3.33Å; L751-I838 HydrophobicContact CD1-CG1 4.05Å; L751-I838 HydrophobicContact CD1-CG2 4.18Å; L751-N841 HydrophobicContact CD2-CB 4.09Å
752N50.8Low53.3Low158 Ų15874.5 Ų74.585%0.84542%0.415SS*.G310 helixtrans-95.5-3.9175.1-64.9-32.5000113.9S750S750-N752 PolarHBondContact O-N 3.5Å
753D44.5Very low52.9Low110 Ų11076.5 Ų76.559%0.58842%0.422SS*.SBendtrans-89.2162.2178.7-75.1-32.6000112.2S750S750-D753 WeakPolarHBondContact O-CB 3.4Å; S750-D753 PolarHBondContact O-N 3.47Å
754T46.4Very low52.8Low88 Ų8878.6 Ų78.654%0.5443%0.433SS..  trans-51.9139.6-172.947.70000114S756 T757T754-S756 VanDerWaalsContact C-N 3.29Å; T754-S756 PolarHBondContact O-N 2.72Å; T754-S756 VanDerWaalsContact O-N 3.15Å; T754-T757 PolarHBondContact O-N 3.3Å; T754-T757 PolarHBondContact O-OG1 2.77Å; T754-T757 PolarHBondContact OG1-OG1 3.21Å
755P46.6Very low52.9Low97 Ų9777.7 Ų77.763%0.6343%0.429SS*.Hα-helixtrans-59.6-32.7-172.518-29.8000114.3T757 L758 D759P755-T757 PolarHBondContact O-N 3.09Å; P755-L758 WeakPolarHBondContact O-CB 3.33Å; P755-L758 PolarHBondContact O-N 3.27Å; P755-D759 PolarHBondContact O-N 3.35Å; P755-D759 VanDerWaalsContact O-N 3.15Å
756S49.1Very low53.1Low89 Ų8976 Ų7662%0.62242%0.42SS*.Hα-helixtrans-64.3-34-176.7630000114.8T754T754-S756 VanDerWaalsContact C-N 3.29Å; T754-S756 PolarHBondContact O-N 2.72Å; T754-S756 VanDerWaalsContact O-N 3.15Å
757T46.7Very low53.3Low71 Ų7173.7 Ų73.744%0.43642%0.418SS..Hα-helixtrans-74.7-34.7176.932.50000111.5T754 P755 S760 K761T754-T757 PolarHBondContact O-N 3.3Å; T754-T757 PolarHBondContact O-OG1 2.77Å; T754-T757 PolarHBondContact OG1-OG1 3.21Å; P755-T757 PolarHBondContact O-N 3.09Å; T757-S760 PolarHBondContact O-OG 3.34Å; T757-K761 PolarHBondContact O-N 3.02Å
758L48.6Very low54Low22 Ų2274.8 Ų74.812%0.11542%0.422CS..Hα-helixtrans-65.8-40.9179.1-171.866.4000111.7V747 P755 K761 K762V747-L758 HydrophobicContact CG1-CD1 3.91Å; P755-L758 WeakPolarHBondContact O-CB 3.33Å; P755-L758 PolarHBondContact O-N 3.27Å; L758-K761 PolarHBondContact O-N 2.86Å; L758-K762 HydrophobicContact CG-CD 4.23Å; L758-K762 WeakPolarHBondContact O-CB 3.49Å; L758-K762 WeakPolarHBondContact O-CG 3.22Å; L758-K762 PolarHBondContact O-N 3.25Å
759D51.5Low54.7Low97 Ų9772.3 Ų72.352%0.51941%0.405SS..Hα-helixtrans-65.3-40.7-179-71.1-21.6000112.7P755 K762 L763P755-D759 PolarHBondContact O-N 3.35Å; P755-D759 VanDerWaalsContact O-N 3.15Å; D759-K762 PolarHBondContact O-N 3.27Å; D759-L763 WeakPolarHBondContact O-CB 3.31Å; D759-L763 PolarHBondContact O-N 3.14Å
760S52.2Low55.3Low62 Ų6268.2 Ų68.243%0.43439%0.386SS..Hα-helixtrans-65.7-41.3177.4700000112.9T757 N764T757-S760 PolarHBondContact O-OG 3.34Å; S760-N764 PolarHBondContact O-N 3.34Å; S760-N764 PolarHBondContact O-ND2 3.16Å
761K53.9Low56.3Low70 Ų7071.1 Ų71.130%0.30440%0.396SS..Hα-helixtrans-65.6-44.3176-73.7-170.1178.5-171.40110.9E746 V747 T757 L758 L763 N764 T765E746-K761 VanDerWaalsContact CD-NZ 3.26Å; E746-K761 IonicContact OE1-NZ 3.33Å; E746-K761 IonicContact OE2-NZ 3.05Å; E746-K761 PolarHBondContact OE2-NZ 3.16Å; V747-K761 HydrophobicContact CG2-CB 4.49Å; T757-K761 PolarHBondContact O-N 3.02Å; L758-K761 PolarHBondContact O-N 2.86Å; K761-L763 PolarHBondContact O-N 3.45Å; K761-N764 PolarHBondContact O-N 2.93Å; K761-T765 PolarHBondContact O-N 3.37Å; K761-T765 VanDerWaalsContact O-N 3.13Å; K761-T765 PolarHBondContact O-OG1 3.13Å
762K56.1Low57.4Low63 Ų6368.2 Ų68.227%0.27438%0.381SS..Hα-helixtrans-57.5-48176.2-77.7174.1176.1173.90112.2L758 D759 N764 T765 I766L758-K762 HydrophobicContact CG-CD 4.23Å; L758-K762 WeakPolarHBondContact O-CB 3.49Å; L758-K762 WeakPolarHBondContact O-CG 3.22Å; L758-K762 PolarHBondContact O-N 3.25Å; D759-K762 PolarHBondContact O-N 3.27Å; K762-N764 PolarHBondContact O-N 3.41Å; K762-T765 PolarHBondContact O-N 2.87Å; K762-I766 WeakPolarHBondContact O-CG1 3.4Å; K762-I766 PolarHBondContact O-N 3.44Å
763L55.4Low58.5Low119 Ų11961.1 Ų61.162%0.62334%0.343SS*.Hα-helixtrans-62.3-43.8-177.6-172.767.2000112D759 K761 T765 I766 A767D759-L763 WeakPolarHBondContact O-CB 3.31Å; D759-L763 PolarHBondContact O-N 3.14Å; K761-L763 PolarHBondContact O-N 3.45Å; L763-T765 VanDerWaalsContact C-N 3.33Å; L763-T765 PolarHBondContact O-N 3.06Å; L763-I766 PolarHBondContact O-N 3.31Å; L763-A767 WeakPolarHBondContact O-CB 3.28Å; L763-A767 PolarHBondContact O-N 3.31Å
764N56.7Low60Low82 Ų8260.9 Ų60.944%0.43934%0.337SS..Hα-helixtrans-63.7-38.8177.7-75.6-25.2000112.3S760 K761 K762 F768S760-N764 PolarHBondContact O-N 3.34Å; S760-N764 PolarHBondContact O-ND2 3.16Å; K761-N764 PolarHBondContact O-N 2.93Å; K762-N764 PolarHBondContact O-N 3.41Å; N764-F768 WeakPolarHBondContact O-CB 3.18Å; N764-F768 PolarHBondContact O-N 3.27Å
765T62.7Low61.5Low14 Ų1457.7 Ų57.79%0.08632%0.317CS..Hα-helixtrans-67.7-45.2177.4-52.80000112L740 K761 K762 L763 A767 F768 V769 F831L740-T765 HydrophobicContact CD2-CG2 3.42Å; L740-T765 VanDerWaalsContact CD2-CG2 3.42Å; K761-T765 PolarHBondContact O-N 3.37Å; K761-T765 VanDerWaalsContact O-N 3.13Å; K761-T765 PolarHBondContact O-OG1 3.13Å; K762-T765 PolarHBondContact O-N 2.87Å; L763-T765 VanDerWaalsContact C-N 3.33Å; L763-T765 PolarHBondContact O-N 3.06Å; T765-A767 VanDerWaalsContact C-N 3.31Å; T765-A767 PolarHBondContact O-N 2.9Å; T765-F768 WeakPolarHBondContact O-CB 3.47Å; T765-F768 PolarHBondContact O-N 3.14Å; T765-F768 VanDerWaalsContact O-N 3.12Å; T765-V769 WeakPolarHBondContact O-CG2 3.26Å; T765-V769 PolarHBondContact O-N 2.75Å; T765-F831 HydrophobicContact CG2-CD2 3.79Å; T765-F831 HydrophobicContact CG2-CE2 3.35Å; T765-F831 HydrophobicContact CG2-CZ 4.26Å
766I65Low63.2Low48 Ų4853.1 Ų53.125%0.24629%0.287CS..Hα-helixtrans-59.1-45.4176.1-66.4169.2000110.4K762 L763 F768 V769 E770 F831K762-I766 WeakPolarHBondContact O-CG1 3.4Å; K762-I766 PolarHBondContact O-N 3.44Å; L763-I766 PolarHBondContact O-N 3.31Å; I766-F768 VanDerWaalsContact C-N 3.26Å; I766-F768 PolarHBondContact O-N 3.08Å; I766-V769 PolarHBondContact O-N 2.76Å; I766-E770 PolarHBondContact O-N 2.99Å; I766-F831 HydrophobicContact CG1-CE1 4.04Å; I766-F831 HydrophobicContact CG1-CZ 3.67Å
767A63.8Low64.8Low55 Ų5549.6 Ų49.646%0.45526%0.262SS..Hα-helixtrans-60.5-36.7177.300000112.4L763 T765 F771L763-A767 WeakPolarHBondContact O-CB 3.28Å; L763-A767 PolarHBondContact O-N 3.31Å; T765-A767 VanDerWaalsContact C-N 3.31Å; T765-A767 PolarHBondContact O-N 2.9Å; A767-F771 VanDerWaalsContact O-CB 3.3Å; A767-F771 WeakPolarHBondContact O-CB 3.43Å; A767-F771 PolarHBondContact O-N 3.49Å
768F67.8Low66.3Low32 Ų3254.1 Ų54.114%0.1427%0.271CS..Hα-helixtrans-67.7-46.4174.8179.4-103.2000112.3C736 Y739 L740 N764 T765 I766 E770 F771 I772 F827C736-F768 HydrophobicContact CB-CE1 4.24Å; C736-F768 HydrophobicContact CB-CZ 4.18Å; Y739-F768 HydrophobicContact CD1-CE1 4.12Å; Y739-F768 HydrophobicContact CD1-CZ 4.12Å; L740-F768 HydrophobicContact CD1-CD1 4.3Å; L740-F768 HydrophobicContact CD1-CE1 4.18Å; L740-F768 HydrophobicContact CD2-CD1 4.13Å; L740-F768 HydrophobicContact CD2-CE1 4.48Å; L740-F768 HydrophobicContact CG-CD1 4.26Å; L740-F768 HydrophobicContact CG-CE1 4.13Å; N764-F768 WeakPolarHBondContact O-CB 3.18Å; N764-F768 PolarHBondContact O-N 3.27Å; T765-F768 WeakPolarHBondContact O-CB 3.47Å; T765-F768 PolarHBondContact O-N 3.14Å; T765-F768 VanDerWaalsContact O-N 3.12Å; I766-F768 VanDerWaalsContact C-N 3.26Å; I766-F768 PolarHBondContact O-N 3.08Å; F768-E770 PolarHBondContact O-N 3.3Å; F768-F771 WeakPolarHBondContact O-CB 3.27Å; F768-F771 PolarHBondContact O-N 3.36Å; F768-F771 VanDerWaalsContact O-N 3.14Å; F768-I772 HydrophobicContact CD1-CG1 4.45Å; F768-I772 HydrophobicContact CE1-CG1 4.03Å; F768-I772 HydrophobicContact CE2-CD1 4.18Å; F768-I772 HydrophobicContact CE2-CG1 4.23Å; F768-I772 HydrophobicContact CZ-CD1 4.05Å; F768-I772 HydrophobicContact CZ-CG1 3.91Å; F768-I772 WeakPolarHBondContact O-CG1 3.17Å; F768-I772 PolarHBondContact O-N 3.33Å; F768-F827 HydrophobicContact CE1-CZ 4.46Å
769V72Confident67.8Low0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-60.8-47.8177.5179.30000110.4L740 T765 I766 F771 I772 T773 F827 V828 F831 L862L740-V769 HydrophobicContact CD1-CG2 4.29Å; T765-V769 WeakPolarHBondContact O-CG2 3.26Å; T765-V769 PolarHBondContact O-N 2.75Å; I766-V769 PolarHBondContact O-N 2.76Å; V769-F771 PolarHBondContact O-N 2.92Å; V769-I772 PolarHBondContact O-N 3.16Å; V769-I772 VanDerWaalsContact O-N 3.13Å; V769-T773 PolarHBondContact O-N 3.43Å; V769-T773 PolarHBondContact O-OG1 3.13Å; V769-F827 HydrophobicContact CB-CE1 4.46Å; V769-F827 HydrophobicContact CG1-CD1 4.5Å; V769-F827 HydrophobicContact CG1-CE1 3.94Å; V769-F827 HydrophobicContact CG2-CE1 4.44Å; V769-V828 HydrophobicContact CG1-CB 4.47Å; V769-V828 HydrophobicContact CG1-CG1 4.28Å; V769-V828 HydrophobicContact CG1-CG2 3.73Å; V769-F831 HydrophobicContact CG2-CB 4.5Å; V769-F831 HydrophobicContact CG2-CD1 4.35Å; V769-F831 HydrophobicContact CG2-CD2 4.32Å; V769-F831 HydrophobicContact CG2-CG 4.12Å; V769-L862 HydrophobicContact CB-CD2 4.32Å; V769-L862 HydrophobicContact CG1-CD2 3.78Å; V769-L862 HydrophobicContact CG1-CG 4.45Å
770E69.8Low69.5Low73 Ų7348.8 Ų48.834%0.34124%0.242SC..Hα-helixtrans-56.3-40174.5-81.1-165-161.500112.9I766 F768 K774 L862I766-E770 PolarHBondContact O-N 2.99Å; F768-E770 PolarHBondContact O-N 3.3Å; E770-K774 WeakPolarHBondContact O-CD 3.49Å; E770-K774 VanDerWaalsContact O-CG 3.31Å; E770-K774 WeakPolarHBondContact O-CG 3.4Å; E770-K774 PolarHBondContact O-N 2.86Å; E770-K774 VanDerWaalsContact O-N 3.11Å; E770-K774 IonicContact OE2-NZ 3.17Å; E770-K774 PolarHBondContact OE2-NZ 3.38Å; E770-L862 HydrophobicContact CG-CD1 3.91Å; E770-L862 HydrophobicContact CG-CD2 4.49Å
771F70.8Confident71Confident79 Ų7948.5 Ų48.535%0.34624%0.235SC..Hα-helixtrans-62.6-45.8177.4170.3-99.4000111.2A604 A767 F768 V769 K774 L775A604-F771 HydrophobicContact CB-CZ 4.15Å; A767-F771 VanDerWaalsContact O-CB 3.3Å; A767-F771 WeakPolarHBondContact O-CB 3.43Å; A767-F771 PolarHBondContact O-N 3.49Å; F768-F771 WeakPolarHBondContact O-CB 3.27Å; F768-F771 PolarHBondContact O-N 3.36Å; F768-F771 VanDerWaalsContact O-N 3.14Å; V769-F771 PolarHBondContact O-N 2.92Å; F771-K774 PolarHBondContact O-N 3.36Å; F771-L775 HydrophobicContact CE1-CD2 3.85Å; F771-L775 HydrophobicContact CZ-CD1 4.44Å; F771-L775 HydrophobicContact CZ-CD2 4.09Å; F771-L775 VanDerWaalsContact O-CB 3.28Å; F771-L775 WeakPolarHBondContact O-CB 3.18Å; F771-L775 PolarHBondContact O-N 3.49Å
772I75.1Confident72.2Confident4 Ų447.4 Ų47.42%0.02123%0.232CC..Hα-helixtrans-64.2-44.6177.6-63.6-56.5000111.5L733 C736 F768 V769 K774 L775 I776 L824 F827L733-I772 HydrophobicContact CD2-CG2 4.17Å; C736-I772 VanDerWaalsContact SG-CD1 3.5Å; F768-I772 HydrophobicContact CD1-CG1 4.45Å; F768-I772 HydrophobicContact CE1-CG1 4.03Å; F768-I772 HydrophobicContact CE2-CD1 4.18Å; F768-I772 HydrophobicContact CE2-CG1 4.23Å; F768-I772 HydrophobicContact CZ-CD1 4.05Å; F768-I772 HydrophobicContact CZ-CG1 3.91Å; F768-I772 WeakPolarHBondContact O-CG1 3.17Å; F768-I772 PolarHBondContact O-N 3.33Å; V769-I772 PolarHBondContact O-N 3.16Å; V769-I772 VanDerWaalsContact O-N 3.13Å; I772-K774 PolarHBondContact O-N 2.96Å; I772-L775 HydrophobicContact CD1-CD2 4.27Å; I772-L775 PolarHBondContact O-N 3.32Å; I772-I776 HydrophobicContact CG2-CG1 4.43Å; I772-I776 PolarHBondContact O-N 2.88Å; I772-L824 HydrophobicContact CG2-CD2 4.36Å; I772-F827 HydrophobicContact CB-CE1 3.88Å; I772-F827 HydrophobicContact CB-CZ 4.13Å; I772-F827 HydrophobicContact CG1-CE1 4.41Å; I772-F827 HydrophobicContact CG1-CZ 4.17Å; I772-F827 HydrophobicContact CG2-CD1 4.27Å; I772-F827 HydrophobicContact CG2-CE1 3.71Å; I772-F827 HydrophobicContact CG2-CZ 4.01Å
773T74.8Confident73.6Confident8 Ų844.5 Ų44.55%0.04922%0.219CC..Hα-helixtrans-57.7-32.6176.1-53.20000112.4V769 P777 A866V769-T773 PolarHBondContact O-N 3.43Å; V769-T773 PolarHBondContact O-OG1 3.13Å; T773-P777 WeakPolarHBondContact O-CD 3.31Å; T773-P777 WeakPolarHBondContact O-CG 3.24Å; T773-A866 HydrophobicContact CG2-CB 4.04Å
774K75.7Confident75.1Confident106 Ų10639.3 Ų39.346%0.46119%0.193SC..Hα-helixtrans-85.2-28.2175.7-68.6164.7-172.9158.60112.9E770 F771 I772 R778E770-K774 WeakPolarHBondContact O-CD 3.49Å; E770-K774 VanDerWaalsContact O-CG 3.31Å; E770-K774 WeakPolarHBondContact O-CG 3.4Å; E770-K774 PolarHBondContact O-N 2.86Å; E770-K774 VanDerWaalsContact O-N 3.11Å; E770-K774 IonicContact OE2-NZ 3.17Å; E770-K774 PolarHBondContact OE2-NZ 3.38Å; F771-K774 PolarHBondContact O-N 3.36Å; I772-K774 PolarHBondContact O-N 2.96Å; K774-R778 VanDerWaalsContact O-CD 3.27Å; K774-R778 WeakPolarHBondContact O-CD 3.13Å; K774-R778 VanDerWaalsContact O-CG 3.22Å; K774-R778 WeakPolarHBondContact O-CG 3.27Å
775L76.9Confident76.3Confident21 Ų2138.1 Ų38.111%0.1119%0.191CC..Hα-helixtrans-71.9-50.6-175.8179.463.2000111.9F771 I772 R778 L779F771-L775 HydrophobicContact CE1-CD2 3.85Å; F771-L775 HydrophobicContact CZ-CD1 4.44Å; F771-L775 HydrophobicContact CZ-CD2 4.09Å; F771-L775 VanDerWaalsContact O-CB 3.28Å; F771-L775 WeakPolarHBondContact O-CB 3.18Å; F771-L775 PolarHBondContact O-N 3.49Å; I772-L775 HydrophobicContact CD1-CD2 4.27Å; I772-L775 PolarHBondContact O-N 3.32Å; L775-R778 WeakPolarHBondContact O-CA 3.41Å; L775-R778 WeakPolarHBondContact O-CB 3.43Å; L775-R778 PolarHBondContact O-N 2.88Å; L775-L779 HydrophobicContact CD1-CD1 4.43Å; L775-L779 HydrophobicContact CD1-CD2 4.05Å; L775-L779 HydrophobicContact CD1-CG 4.09Å; L775-L779 HydrophobicContact CG-CD1 4.11Å; L775-L779 HydrophobicContact CG-CG 4.16Å; L775-L779 WeakPolarHBondContact O-CG 3.38Å; L775-L779 PolarHBondContact O-N 2.97Å
776I82.4Confident77.2Confident0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-57.3-48.9-174.1-62.2-51.8000112.8I729 I732 L733 I772 R778 L779 I780 L819 L824I729-I776 HydrophobicContact CG2-CD1 4.2Å; I729-I776 HydrophobicContact CG2-CG2 3.8Å; I732-I776 HydrophobicContact CG2-CD1 4.16Å; L733-I776 HydrophobicContact CD2-CD1 4.47Å; L733-I776 HydrophobicContact CD2-CG1 4.07Å; L733-I776 HydrophobicContact CG-CD1 4.45Å; L733-I776 HydrophobicContact CG-CG1 4.45Å; I772-I776 HydrophobicContact CG2-CG1 4.43Å; I772-I776 PolarHBondContact O-N 2.88Å; I776-R778 PolarHBondContact O-N 3.39Å; I776-L779 HydrophobicContact CD1-CD1 4.3Å; I776-L779 PolarHBondContact O-N 3.47Å; I776-L779 VanDerWaalsContact O-N 3.14Å; I776-I780 HydrophobicContact CG2-CD1 4.31Å; I776-I780 PolarHBondContact O-N 3.36Å; I776-I780 VanDerWaalsContact O-N 3.16Å; I776-L819 HydrophobicContact CG2-CD2 4.09Å; I776-L824 HydrophobicContact CB-CD1 4.27Å; I776-L824 HydrophobicContact CB-CD2 4.29Å; I776-L824 HydrophobicContact CG1-CD2 3.98Å; I776-L824 HydrophobicContact CG2-CD1 4.33Å
777P82.1Confident78.2Confident15 Ų1536.8 Ų36.810%0.09718%0.184CC..Hα-helixtrans-59.7-36175.7-22.832.5000112.9T773 I780 M781 L873T773-P777 WeakPolarHBondContact O-CD 3.31Å; T773-P777 WeakPolarHBondContact O-CG 3.24Å; P777-I780 PolarHBondContact O-N 2.8Å; P777-M781 WeakPolarHBondContact O-CB 3.35Å; P777-M781 VanDerWaalsContact O-CG 3.28Å; P777-M781 WeakPolarHBondContact O-CG 3.35Å; P777-M781 PolarHBondContact O-N 3.31Å; P777-L873 HydrophobicContact CB-CD1 3.97Å; P777-L873 HydrophobicContact CB-CD2 4.41Å; P777-L873 HydrophobicContact CB-CG 4.46Å; P777-L873 WeakPolarHBondContact O-CD1 3.11Å
778R79.6Confident79.2Confident167 Ų16735.9 Ų35.963%0.6317%0.173SC*.Hα-helixtrans-66.6-39.6177.3-70.1172.8-179.2-173.1-0.4111.6K774 L775 I776 I780 M781 L782K774-R778 VanDerWaalsContact O-CD 3.27Å; K774-R778 WeakPolarHBondContact O-CD 3.13Å; K774-R778 VanDerWaalsContact O-CG 3.22Å; K774-R778 WeakPolarHBondContact O-CG 3.27Å; L775-R778 WeakPolarHBondContact O-CA 3.41Å; L775-R778 WeakPolarHBondContact O-CB 3.43Å; L775-R778 PolarHBondContact O-N 2.88Å; I776-R778 PolarHBondContact O-N 3.39Å; R778-I780 VanDerWaalsContact C-N 3.34Å; R778-M781 PolarHBondContact O-N 2.93Å; R778-L782 WeakPolarHBondContact O-CG 3.45Å; R778-L782 PolarHBondContact O-N 3.31Å
779L80.5Confident79.9Confident6 Ų639.2 Ų39.23%0.03120%0.196CC..Hα-helixtrans-62.5-41.2176.1-63.5-177.1000111.7I607 L608 L611 I732 L775 I776 L782I607-L779 HydrophobicContact CG2-CD1 4.45Å; L608-L779 HydrophobicContact CD2-CD2 3.67Å; L611-L779 HydrophobicContact CD1-CB 4.3Å; L611-L779 HydrophobicContact CD1-CD1 4.12Å; L611-L779 HydrophobicContact CD1-CD2 3.65Å; L611-L779 HydrophobicContact CD1-CG 4.22Å; I732-L779 HydrophobicContact CD1-CD1 3.87Å; L775-L779 HydrophobicContact CD1-CD1 4.43Å; L775-L779 HydrophobicContact CD1-CD2 4.05Å; L775-L779 HydrophobicContact CD1-CG 4.09Å; L775-L779 HydrophobicContact CG-CD1 4.11Å; L775-L779 HydrophobicContact CG-CG 4.16Å; L775-L779 WeakPolarHBondContact O-CG 3.38Å; L775-L779 PolarHBondContact O-N 2.97Å; I776-L779 HydrophobicContact CD1-CD1 4.3Å; I776-L779 PolarHBondContact O-N 3.47Å; I776-L779 VanDerWaalsContact O-N 3.14Å; L779-L782 HydrophobicContact CD2-CD1 4.1Å; L779-L782 WeakPolarHBondContact O-CB 3.39Å; L779-L782 PolarHBondContact O-N 3.5Å
780I85.3Confident80.5Confident1 Ų143 Ų431%0.00522%0.216CC..Hα-helixtrans-66.4-42.6175.1-61.5170.2000110.6I729 I776 P777 R778 L782 F783 L819 L873 L877I729-I780 HydrophobicContact CD1-CD1 4.19Å; I729-I780 HydrophobicContact CD1-CG1 3.52Å; I776-I780 HydrophobicContact CG2-CD1 4.31Å; I776-I780 PolarHBondContact O-N 3.36Å; I776-I780 VanDerWaalsContact O-N 3.16Å; P777-I780 PolarHBondContact O-N 2.8Å; R778-I780 VanDerWaalsContact C-N 3.34Å; I780-L782 PolarHBondContact O-N 2.91Å; I780-F783 WeakPolarHBondContact O-CB 3.37Å; I780-F783 PolarHBondContact O-N 2.99Å; I780-L819 HydrophobicContact CD1-CD2 3.63Å; I780-L873 HydrophobicContact CB-CD1 3.87Å; I780-L873 HydrophobicContact CD1-CD1 4.39Å; I780-L873 HydrophobicContact CG2-CD1 3.89Å; I780-L877 HydrophobicContact CG2-CD1 4.14Å; I780-L877 HydrophobicContact CG2-CD2 4.33Å
781M83.8Confident81.3Confident56 Ų5639.9 Ų39.928%0.27620%0.201SC..Hα-helixtrans-61.9-32.6177.3-77.2-63-63.900113P777 R778 F783 T784 S785 L873 H876P777-M781 WeakPolarHBondContact O-CB 3.35Å; P777-M781 VanDerWaalsContact O-CG 3.28Å; P777-M781 WeakPolarHBondContact O-CG 3.35Å; P777-M781 PolarHBondContact O-N 3.31Å; R778-M781 PolarHBondContact O-N 2.93Å; M781-F783 PolarHBondContact O-N 3.33Å; M781-T784 PolarHBondContact O-N 3.16Å; M781-T784 VanDerWaalsContact O-N 3.13Å; M781-T784 PolarHBondContact O-OG1 3.19Å; M781-S785 PolarHBondContact O-N 3.25Å; M781-L873 HydrophobicContact CG-CD1 4.08Å; M781-L873 HydrophobicContact CG-CD2 3.6Å; M781-L873 HydrophobicContact CG-CG 4.42Å; M781-L873 HydrophobicContact SD-CD2 3.71Å; M781-L873 HydrophobicContact SD-CG 4.48Å; M781-H876 WeakPolarHBondContact CE-CD2 3.46Å; M781-H876 VanDerWaalsContact CE-NE2 3.28Å; M781-H876 WeakPolarHBondContact CE-NE2 3.3Å; M781-H876 PolarHBondContact SD-CD2 3.48Å
782L80.6Confident82.1Confident47 Ų4738.1 Ų38.125%0.24620%0.201CC..Hα-helixtrans-55.9-36.4173.8-74.2171.6000111.5L608 R778 L779 I780 T784 S785 L786L608-L782 HydrophobicContact CD2-CD1 3.41Å; L608-L782 VanDerWaalsContact CD2-CD1 3.41Å; R778-L782 WeakPolarHBondContact O-CG 3.45Å; R778-L782 PolarHBondContact O-N 3.31Å; L779-L782 HydrophobicContact CD2-CD1 4.1Å; L779-L782 WeakPolarHBondContact O-CB 3.39Å; L779-L782 PolarHBondContact O-N 3.5Å; I780-L782 PolarHBondContact O-N 2.91Å; L782-T784 PolarHBondContact O-N 3.12Å; L782-S785 WeakPolarHBondContact CA-OG 3.31Å; L782-S785 PolarHBondContact O-N 3.21Å; L782-S785 VanDerWaalsContact O-N 3.14Å; L782-S785 PolarHBondContact O-OG 3.41Å; L782-L786 HydrophobicContact CB-CD1 4.01Å; L782-L786 HydrophobicContact CB-CG 4.43Å; L782-L786 HydrophobicContact CD2-CD1 4.19Å; L782-L786 HydrophobicContact CD2-CG 4.39Å; L782-L786 VanDerWaalsContact O-CB 3.28Å; L782-L786 WeakPolarHBondContact O-CB 3.44Å; L782-L786 WeakPolarHBondContact O-CG 3.35Å; L782-L786 PolarHBondContact O-N 3.15Å
783F85.6Confident82.5Confident1 Ų142.4 Ų42.40%0.00422%0.224CC..Hα-helixtrans-53.9-50.2175.5-175.8-90.7000112.1L615 F621 V722 I780 M781 S785 V787 Y805 D808 L812L615-F783 HydrophobicContact CD2-CD2 3.66Å; L615-F783 HydrophobicContact CD2-CE2 4.12Å; F621-F783 HydrophobicContact CE1-CE2 4.14Å; F621-F783 HydrophobicContact CE1-CZ 4.12Å; F621-F783 AromaticContact CZ-CE2 3.96Å; F621-F783 HydrophobicContact CZ-CE2 3.96Å; F621-F783 HydrophobicContact CZ-CZ 4.35Å; V722-F783 HydrophobicContact CG2-CD2 4.29Å; V722-F783 HydrophobicContact CG2-CE1 4.37Å; V722-F783 HydrophobicContact CG2-CE2 3.38Å; V722-F783 HydrophobicContact CG2-CZ 3.44Å; V722-F783 VanDerWaalsContact CG2-CZ 3.44Å; I780-F783 WeakPolarHBondContact O-CB 3.37Å; I780-F783 PolarHBondContact O-N 2.99Å; M781-F783 PolarHBondContact O-N 3.33Å; F783-S785 PolarHBondContact O-N 3.22Å; F783-V787 HydrophobicContact CD1-CG2 4.46Å; F783-V787 HydrophobicContact CD2-CG2 3.82Å; F783-V787 HydrophobicContact CE1-CG2 4.44Å; F783-V787 HydrophobicContact CE2-CG2 3.78Å; F783-V787 HydrophobicContact CG-CG2 4.15Å; F783-V787 HydrophobicContact CZ-CG2 4.1Å; F783-V787 WeakPolarHBondContact O-CB 3.26Å; F783-V787 VanDerWaalsContact O-CG2 3.26Å; F783-V787 WeakPolarHBondContact O-CG2 3.46Å; F783-V787 PolarHBondContact O-N 2.86Å; F783-V787 VanDerWaalsContact O-N 3.16Å; F783-Y805 HydrophobicContact CD1-CE2 4.27Å; F783-Y805 AromaticContact CE1-CD2 3.96Å; F783-Y805 HydrophobicContact CE1-CD2 3.96Å; F783-Y805 AromaticContact CE1-CE2 3.71Å; F783-Y805 HydrophobicContact CE1-CE2 3.71Å; F783-Y805 HydrophobicContact CZ-CD2 4.32Å; F783-Y805 HydrophobicContact CZ-CE2 4.43Å; F783-D808 HydrophobicContact CE1-CB 4.15Å; F783-D808 HydrophobicContact CZ-CB 3.8Å; F783-L812 HydrophobicContact CB-CD1 4.17Å; F783-L812 HydrophobicContact CD1-CD1 3.44Å; F783-L812 VanDerWaalsContact CD1-CD1 3.44Å; F783-L812 HydrophobicContact CD2-CD1 4.13Å; F783-L812 HydrophobicContact CE1-CD1 3.78Å; F783-L812 HydrophobicContact CE2-CD1 4.43Å; F783-L812 HydrophobicContact CG-CD1 3.64Å; F783-L812 HydrophobicContact CZ-CD1 4.28Å
784T85.1Confident83Confident11 Ų1142.2 Ų42.27%0.06722%0.223CC..Hα-helixtrans-67-25.8-178.264.20000113.5M781 L782 P788 Y805 H876 L877M781-T784 PolarHBondContact O-N 3.16Å; M781-T784 VanDerWaalsContact O-N 3.13Å; M781-T784 PolarHBondContact O-OG1 3.19Å; L782-T784 PolarHBondContact O-N 3.12Å; T784-P788 WeakPolarHBondContact O-CD 3.39Å; T784-P788 VanDerWaalsContact O-CG 3.31Å; T784-P788 WeakPolarHBondContact O-CG 3.36Å; T784-Y805 PolarHBondContact O-OH 2.93Å; T784-H876 PolarHBondContact OG1-NE2 2.79Å; T784-L877 HydrophobicContact CG2-CD2 3.4Å; T784-L877 VanDerWaalsContact CG2-CD2 3.4Å; T784-L877 HydrophobicContact CG2-CG 4.35Å
785S82.4Confident83.3Confident57 Ų5737.8 Ų37.840%0.39920%0.204SC..Hα-helixtrans-91-41.3-179.4670000113.4M781 L782 F783 T789M781-S785 PolarHBondContact O-N 3.25Å; L782-S785 WeakPolarHBondContact CA-OG 3.31Å; L782-S785 PolarHBondContact O-N 3.21Å; L782-S785 VanDerWaalsContact O-N 3.14Å; L782-S785 PolarHBondContact O-OG 3.41Å; F783-S785 PolarHBondContact O-N 3.22Å; S785-T789 WeakPolarHBondContact O-CB 3.29Å; S785-T789 PolarHBondContact O-OG1 2.78Å
786L81.9Confident83.5Confident34 Ų3442.9 Ų42.918%0.17823%0.227CC..Hα-helixtrans-82.1-42-173-69.6179.1000111.7R612 L615 L782 T789 L790R612-L786 HydrophobicContact CG-CD1 4.21Å; L615-L786 HydrophobicContact CD1-CB 4.16Å; L615-L786 HydrophobicContact CD1-CD1 3.81Å; L782-L786 HydrophobicContact CB-CD1 4.01Å; L782-L786 HydrophobicContact CB-CG 4.43Å; L782-L786 HydrophobicContact CD2-CD1 4.19Å; L782-L786 HydrophobicContact CD2-CG 4.39Å; L782-L786 VanDerWaalsContact O-CB 3.28Å; L782-L786 WeakPolarHBondContact O-CB 3.44Å; L782-L786 WeakPolarHBondContact O-CG 3.35Å; L782-L786 PolarHBondContact O-N 3.15Å; L786-T789 CarbonylContact O-C 3.59Å; L786-T789 WeakPolarHBondContact O-CA 3.45Å; L786-T789 WeakPolarHBondContact O-CB 3.48Å; L786-T789 PolarHBondContact O-N 3.21Å; L786-L790 HydrophobicContact CB-CD1 4.1Å; L786-L790 WeakPolarHBondContact O-CB 3.31Å; L786-L790 VanDerWaalsContact O-CG 3.31Å; L786-L790 WeakPolarHBondContact O-CG 3.4Å; L786-L790 PolarHBondContact O-N 3.09Å
787V85.9Confident83.6Confident0 Ų050.8 Ų50.80%026%0.262CS..Hα-helixtrans-61.8-46.9-175.2179.60000111.9L615 F621 F783 T789 H791 F795 F801 Y805L615-V787 HydrophobicContact CD2-CG2 3.94Å; F621-V787 HydrophobicContact CE1-CG1 3.77Å; F621-V787 HydrophobicContact CE1-CG2 4.29Å; F621-V787 HydrophobicContact CE2-CG1 4.3Å; F621-V787 HydrophobicContact CE2-CG2 4.27Å; F621-V787 HydrophobicContact CZ-CB 4.22Å; F621-V787 HydrophobicContact CZ-CG1 3.59Å; F621-V787 HydrophobicContact CZ-CG2 3.5Å; F783-V787 HydrophobicContact CD1-CG2 4.46Å; F783-V787 HydrophobicContact CD2-CG2 3.82Å; F783-V787 HydrophobicContact CE1-CG2 4.44Å; F783-V787 HydrophobicContact CE2-CG2 3.78Å; F783-V787 HydrophobicContact CG-CG2 4.15Å; F783-V787 HydrophobicContact CZ-CG2 4.1Å; F783-V787 WeakPolarHBondContact O-CB 3.26Å; F783-V787 VanDerWaalsContact O-CG2 3.26Å; F783-V787 WeakPolarHBondContact O-CG2 3.46Å; F783-V787 PolarHBondContact O-N 2.86Å; F783-V787 VanDerWaalsContact O-N 3.16Å; V787-T789 PolarHBondContact O-N 3.15Å; V787-H791 WeakPolarHBondContact O-CB 3.36Å; V787-H791 PolarHBondContact O-CD2 2.74Å; V787-H791 PolarHBondContact O-N 3.45Å; V787-H791 VanDerWaalsContact O-N 3.08Å; V787-F795 HydrophobicContact CG1-CE2 4.26Å; V787-F801 HydrophobicContact CG1-CE1 4.41Å; V787-F801 HydrophobicContact CG1-CZ 4.43Å; V787-Y805 HydrophobicContact CB-CD2 4.32Å; V787-Y805 HydrophobicContact CB-CE2 4Å; V787-Y805 HydrophobicContact CG1-CD2 3.81Å; V787-Y805 HydrophobicContact CG1-CE2 4Å
788P84.1Confident84.1Confident35 Ų3552.3 Ų52.323%0.22727%0.269CS..Hα-helixtrans-64-27.9174-23.136.3000113.7T784 A792 F795 Y805T784-P788 WeakPolarHBondContact O-CD 3.39Å; T784-P788 VanDerWaalsContact O-CG 3.31Å; T784-P788 WeakPolarHBondContact O-CG 3.36Å; P788-A792 WeakPolarHBondContact O-CA 3.41Å; P788-A792 WeakPolarHBondContact O-CB 3.35Å; P788-A792 PolarHBondContact O-N 3.43Å; P788-F795 HydrophobicContact CB-CE2 4.41Å; P788-F795 HydrophobicContact CG-CE2 4.34Å; P788-Y805 HydrophobicContact CG-CE2 4.25Å
789T83.4Confident84.7Confident103 Ų10344.8 Ų44.863%0.63224%0.241SC*.Hα-helixtrans-78.7-45.5-179.3-57.80000111.9S785 L786 V787S785-T789 WeakPolarHBondContact O-CB 3.29Å; S785-T789 PolarHBondContact O-OG1 2.78Å; L786-T789 CarbonylContact O-C 3.59Å; L786-T789 WeakPolarHBondContact O-CA 3.45Å; L786-T789 WeakPolarHBondContact O-CB 3.48Å; L786-T789 PolarHBondContact O-N 3.21Å; V787-T789 PolarHBondContact O-N 3.15Å
790L84.9Confident85.2Confident78 Ų7849.6 Ų49.641%0.40826%0.259SS..Hα-helixtrans-71.8-35.4-178.1-68.7171.5000111.8L615 A616 L786L615-L790 HydrophobicContact CB-CD1 4.09Å; A616-L790 HydrophobicContact CB-CD1 4.34Å; L786-L790 HydrophobicContact CB-CD1 4.1Å; L786-L790 WeakPolarHBondContact O-CB 3.31Å; L786-L790 VanDerWaalsContact O-CG 3.31Å; L786-L790 WeakPolarHBondContact O-CG 3.4Å; L786-L790 PolarHBondContact O-N 3.09Å
791H87Confident85.5Confident8 Ų849.6 Ų49.64%0.03726%0.259CS..THydrogen-bonded Turntrans-109.424.3-175.7-57.7-75.5000113.2L615 F621 V787 D793 V794 F795 F801L615-H791 PolarHBondContact O-NE2 2.98Å; F621-H791 AromaticContact CD2-NE2 3.74Å; F621-H791 AromaticContact CE2-NE2 3.72Å; V787-H791 WeakPolarHBondContact O-CB 3.36Å; V787-H791 PolarHBondContact O-CD2 2.74Å; V787-H791 PolarHBondContact O-N 3.45Å; V787-H791 VanDerWaalsContact O-N 3.08Å; H791-D793 PolarHBondContact O-N 3.49Å; H791-D793 VanDerWaalsContact O-N 3.14Å; H791-V794 HydrophobicContact CB-CB 4.48Å; H791-V794 PolarHBondContact O-N 3.23Å; H791-F795 HydrophobicContact CB-CD2 4.48Å; H791-F795 WeakPolarHBondContact O-CB 3.29Å; H791-F795 PolarHBondContact O-N 2.92Å; H791-F801 HydrophobicContact CB-CE1 3.96Å; H791-F801 HydrophobicContact CB-CZ 3.71Å; H791-F801 AromaticContact CD2-CZ 3.97Å; H791-F801 AromaticContact CG-CZ 3.7Å
792A86.6Confident85.9Confident42 Ų4246.9 Ų46.935%0.34725%0.246SC..Hα-helixtrans-54.4-35.8-171.800000114.2P788 Q796P788-A792 WeakPolarHBondContact O-CA 3.41Å; P788-A792 WeakPolarHBondContact O-CB 3.35Å; P788-A792 PolarHBondContact O-N 3.43Å; A792-Q796 WeakPolarHBondContact O-CG 3.25Å; A792-Q796 PolarHBondContact O-N 3.07Å
793D84.8Confident86.5Confident94 Ų9444.7 Ų44.750%0.50323%0.234SC..Hα-helixtrans-69.9-38.9179.166.8-47.2000112.8H791H791-D793 PolarHBondContact O-N 3.49Å; H791-D793 VanDerWaalsContact O-N 3.14Å
794V85.3Confident86.8Confident5 Ų544.7 Ų44.73%0.0323%0.234CC..Hα-helixtrans-72.3-46.9176-172.20000109.8Y622 H791 Q796 K797 D798 F801Y622-V794 WeakPolarHBondContact OH-CG1 3.43Å; H791-V794 HydrophobicContact CB-CB 4.48Å; H791-V794 PolarHBondContact O-N 3.23Å; V794-Q796 PolarHBondContact O-N 2.84Å; V794-Q796 VanDerWaalsContact O-N 3.15Å; V794-K797 PolarHBondContact O-N 3.5Å; V794-D798 HydrophobicContact CG1-CB 3.99Å; V794-D798 PolarHBondContact O-N 3.29Å; V794-F801 HydrophobicContact CG1-CB 4.01Å; V794-F801 HydrophobicContact CG1-CD1 4.44Å; V794-F801 HydrophobicContact CG1-CD2 3.83Å; V794-F801 HydrophobicContact CG1-CE2 4.42Å; V794-F801 HydrophobicContact CG1-CG 3.83Å
795F81.8Confident87.2Confident12 Ų1244.2 Ų44.25%0.05323%0.231CC..Hα-helixtrans-55-33178.5-122-70000112V787 P788 H791 K797 F801 A802 Y805 N884 H888V787-F795 HydrophobicContact CG1-CE2 4.26Å; P788-F795 HydrophobicContact CB-CE2 4.41Å; P788-F795 HydrophobicContact CG-CE2 4.34Å; H791-F795 HydrophobicContact CB-CD2 4.48Å; H791-F795 WeakPolarHBondContact O-CB 3.29Å; H791-F795 PolarHBondContact O-N 2.92Å; F795-K797 VanDerWaalsContact C-N 3.32Å; F795-K797 PolarHBondContact O-N 2.98Å; F795-F801 AromaticContact CD2-CD1 3.81Å; F795-F801 HydrophobicContact CD2-CD1 3.81Å; F795-F801 AromaticContact CD2-CE1 3.5Å; F795-F801 HydrophobicContact CD2-CE1 3.5Å; F795-F801 AromaticContact CE2-CD1 3.96Å; F795-F801 HydrophobicContact CE2-CD1 3.96Å; F795-F801 AromaticContact CE2-CE1 3.54Å; F795-F801 HydrophobicContact CE2-CE1 3.54Å; F795-F801 HydrophobicContact CG-CD1 4.26Å; F795-F801 HydrophobicContact CG-CE1 4.38Å; F795-F801 HydrophobicContact CZ-CD1 4.49Å; F795-F801 HydrophobicContact CZ-CE1 4.41Å; F795-A802 HydrophobicContact CE1-CB 4.34Å; F795-Y805 HydrophobicContact CE1-CD1 4.25Å; F795-Y805 HydrophobicContact CE1-CG 4.43Å; F795-Y805 HydrophobicContact CE2-CD1 4.47Å; F795-Y805 HydrophobicContact CE2-CD2 4.06Å; F795-Y805 HydrophobicContact CE2-CE2 4.48Å; F795-Y805 HydrophobicContact CE2-CG 4.03Å; F795-Y805 AromaticContact CZ-CD1 3.5Å; F795-Y805 HydrophobicContact CZ-CD1 3.5Å; F795-Y805 AromaticContact CZ-CD2 3.87Å; F795-Y805 HydrophobicContact CZ-CD2 3.87Å; F795-Y805 AromaticContact CZ-CE1 3.97Å; F795-Y805 HydrophobicContact CZ-CE1 3.97Å; F795-Y805 HydrophobicContact CZ-CE2 4.32Å; F795-Y805 AromaticContact CZ-CG 3.4Å; F795-Y805 HydrophobicContact CZ-CG 3.4Å; F795-Y805 VanDerWaalsContact CZ-CG 3.4Å; F795-N884 HydrophobicContact CE1-CB 3.85Å; F795-H888 PolarHBondContact O-CE1 2.75Å; F795-H888 PolarHBondContact O-NE2 2.76Å
796Q80.8Confident87.8Confident128 Ų12842.9 Ų42.960%0.59822%0.217SC*.THydrogen-bonded Turntrans-73.3-23.3179.4-76.1176.49.400114.2A792 V794A792-Q796 WeakPolarHBondContact O-CG 3.25Å; A792-Q796 PolarHBondContact O-N 3.07Å; V794-Q796 PolarHBondContact O-N 2.84Å; V794-Q796 VanDerWaalsContact O-N 3.15Å
797K85.2Confident88.4Confident167 Ų16741.3 Ų41.373%0.72621%0.209SC*.THydrogen-bonded Turntrans-119.4-29.7-164.1-63.4176.4-175.6170.30114.2V794 F795V794-K797 PolarHBondContact O-N 3.5Å; F795-K797 VanDerWaalsContact C-N 3.32Å; F795-K797 PolarHBondContact O-N 2.98Å
798D90.7Very high88.7Confident46 Ų4641.3 Ų41.325%0.24621%0.209CC..  trans-105.7103.2-170.8-172.1-2.4000111.4Y622 V794 R800 F801 A802Y622-D798 WeakPolarHBondContact CE1-OD2 3.36Å; Y622-D798 PolarHBondContact OH-OD2 3.34Å; V794-D798 HydrophobicContact CG1-CB 3.99Å; V794-D798 PolarHBondContact O-N 3.29Å; D798-R800 VanDerWaalsContact C-N 3.26Å; D798-R800 PolarHBondContact O-N 2.86Å; D798-R800 WeakPolarHBondContact OD1-CB 3.27Å; D798-R800 PolarHBondContact OD1-N 3.39Å; D798-F801 HydrophobicContact CB-CB 4Å; D798-F801 WeakPolarHBondContact O-CB 3.2Å; D798-F801 PolarHBondContact O-N 3.4Å; D798-A802 PolarHBondContact O-N 2.77Å
799L93.2Very high89.2Confident10 Ų1039.6 Ų39.65%0.05220%0.198CC..Hα-helixtrans-61-34.8175.9172.561.9000112.1F801 A802 V803 L885 H888 E892 I932 A935 L936L799-F801 VanDerWaalsContact C-N 3.28Å; L799-F801 PolarHBondContact O-N 3.46Å; L799-A802 PolarHBondContact O-N 2.6Å; L799-V803 HydrophobicContact CD1-CG2 4.12Å; L799-V803 HydrophobicContact CG-CG2 4.36Å; L799-V803 WeakPolarHBondContact O-CG2 3.41Å; L799-V803 PolarHBondContact O-N 2.85Å; L799-L885 HydrophobicContact CD1-CD1 4Å; L799-H888 HydrophobicContact CD1-CB 3.64Å; L799-E892 HydrophobicContact CD2-CG 4.2Å; L799-I932 HydrophobicContact CD2-CG2 4.23Å; L799-A935 HydrophobicContact CB-CB 4.09Å; L799-A935 HydrophobicContact CD2-CB 3.77Å; L799-A935 HydrophobicContact CG-CB 3.83Å; L799-L936 HydrophobicContact CD1-CD2 4.31Å; L799-L936 HydrophobicContact CD2-CD2 4.3Å; L799-L936 HydrophobicContact CD2-CG 4.37Å
800R91.7Very high89.6Confident107 Ų10736 Ų3640%0.40417%0.174SC..Hα-helixtrans-64.4-37.5-179.9-178.9178.5171.4166.20.4110.8M624 D798 V803 L804 A935M624-R800 HydrophobicContact CE-CG 4.31Å; M624-R800 VanDerWaalsContact CE-NH2 3.3Å; D798-R800 VanDerWaalsContact C-N 3.26Å; D798-R800 PolarHBondContact O-N 2.86Å; D798-R800 WeakPolarHBondContact OD1-CB 3.27Å; D798-R800 PolarHBondContact OD1-N 3.39Å; R800-V803 PolarHBondContact O-N 3.42Å; R800-L804 PolarHBondContact O-N 3.33Å; R800-A935 HydrophobicContact CB-CB 4.3Å
801F91.9Very high89.9Confident0 Ų033.3 Ų33.30%016%0.159CC..Hα-helixtrans-64.5-45.1174-167.2-85.6000111.5F621 Y622 V787 H791 V794 F795 D798 L799 V803 L804 Y805F621-F801 HydrophobicContact CB-CE2 3.71Å; F621-F801 HydrophobicContact CB-CZ 4.28Å; F621-F801 HydrophobicContact CD1-CE2 4.27Å; F621-F801 HydrophobicContact CD1-CZ 4.08Å; F621-F801 AromaticContact CG-CE2 4Å; F621-F801 HydrophobicContact CG-CE2 4Å; F621-F801 HydrophobicContact CG-CZ 4.06Å; Y622-F801 HydrophobicContact CE1-CD2 4.19Å; Y622-F801 HydrophobicContact CE2-CD2 4.12Å; Y622-F801 AromaticContact CZ-CD2 3.8Å; V787-F801 HydrophobicContact CG1-CE1 4.41Å; V787-F801 HydrophobicContact CG1-CZ 4.43Å; H791-F801 HydrophobicContact CB-CE1 3.96Å; H791-F801 HydrophobicContact CB-CZ 3.71Å; H791-F801 AromaticContact CD2-CZ 3.97Å; H791-F801 AromaticContact CG-CZ 3.7Å; V794-F801 HydrophobicContact CG1-CB 4.01Å; V794-F801 HydrophobicContact CG1-CD1 4.44Å; V794-F801 HydrophobicContact CG1-CD2 3.83Å; V794-F801 HydrophobicContact CG1-CE2 4.42Å; V794-F801 HydrophobicContact CG1-CG 3.83Å; F795-F801 AromaticContact CD2-CD1 3.81Å; F795-F801 HydrophobicContact CD2-CD1 3.81Å; F795-F801 AromaticContact CD2-CE1 3.5Å; F795-F801 HydrophobicContact CD2-CE1 3.5Å; F795-F801 AromaticContact CE2-CD1 3.96Å; F795-F801 HydrophobicContact CE2-CD1 3.96Å; F795-F801 AromaticContact CE2-CE1 3.54Å; F795-F801 HydrophobicContact CE2-CE1 3.54Å; F795-F801 HydrophobicContact CG-CD1 4.26Å; F795-F801 HydrophobicContact CG-CE1 4.38Å; F795-F801 HydrophobicContact CZ-CD1 4.49Å; F795-F801 HydrophobicContact CZ-CE1 4.41Å; D798-F801 HydrophobicContact CB-CB 4Å; D798-F801 WeakPolarHBondContact O-CB 3.2Å; D798-F801 PolarHBondContact O-N 3.4Å; L799-F801 VanDerWaalsContact C-N 3.28Å; L799-F801 PolarHBondContact O-N 3.46Å; F801-V803 VanDerWaalsContact C-N 3.27Å; F801-V803 PolarHBondContact O-N 2.93Å; F801-L804 PolarHBondContact O-N 3.4Å; F801-Y805 PolarHBondContact O-N 3.46Å
802A91.4Very high90.2Very high0 Ų033 Ų330%016%0.158CC..Hα-helixtrans-62.6-34.4176.800000112.8F795 D798 L799 Y806F795-A802 HydrophobicContact CE1-CB 4.34Å; D798-A802 PolarHBondContact O-N 2.77Å; L799-A802 PolarHBondContact O-N 2.6Å; A802-Y806 WeakPolarHBondContact O-CB 3.42Å; A802-Y806 PolarHBondContact O-N 2.59Å
803V93.6Very high90.3Very high0 Ų031 Ų310%014%0.141CC..Hα-helixtrans-66.1-45.2173.8164.50000111.8L799 R800 F801 Y806 N807 L885 L936 S938 L939L799-V803 HydrophobicContact CD1-CG2 4.12Å; L799-V803 HydrophobicContact CG-CG2 4.36Å; L799-V803 WeakPolarHBondContact O-CG2 3.41Å; L799-V803 PolarHBondContact O-N 2.85Å; R800-V803 PolarHBondContact O-N 3.42Å; F801-V803 VanDerWaalsContact C-N 3.27Å; F801-V803 PolarHBondContact O-N 2.93Å; V803-Y806 WeakPolarHBondContact O-CB 3.28Å; V803-Y806 PolarHBondContact O-N 3.25Å; V803-N807 PolarHBondContact O-N 3.34Å; V803-L885 HydrophobicContact CG2-CD1 3.77Å; V803-L936 HydrophobicContact CG2-CD2 3.71Å; V803-S938 WeakPolarHBondContact CG1-OG 3.27Å; V803-L939 HydrophobicContact CG1-CD2 3.72Å; V803-L939 HydrophobicContact CG1-CG 3.63Å; V803-L939 HydrophobicContact CG2-CD1 4.36Å; V803-L939 HydrophobicContact CG2-CG 4.33Å
804L91.7Very high90.4Very high1 Ų127.9 Ų27.91%0.00512%0.123CC..Hα-helixtrans-61.5-46.8175.3-81.8168.5000111.2F621 M624 R800 F801 Y806 N807 D808F621-L804 WeakPolarHBondContact O-CD1 3.41Å; M624-L804 HydrophobicContact CE-CD1 3.55Å; M624-L804 HydrophobicContact CE-CD2 3.76Å; M624-L804 HydrophobicContact CE-CG 3.8Å; M624-L804 HydrophobicContact CG-CD1 4.37Å; M624-L804 HydrophobicContact CG-CD2 3.92Å; M624-L804 HydrophobicContact SD-CD2 4.29Å; R800-L804 PolarHBondContact O-N 3.33Å; F801-L804 PolarHBondContact O-N 3.4Å; L804-Y806 VanDerWaalsContact C-N 3.27Å; L804-Y806 PolarHBondContact O-N 3.46Å; L804-N807 PolarHBondContact O-N 3.35Å; L804-N807 VanDerWaalsContact O-N 3.1Å; L804-D808 VanDerWaalsContact O-CB 3.28Å; L804-D808 WeakPolarHBondContact O-CB 3.45Å; L804-D808 PolarHBondContact O-N 3.26Å
805Y93.7Very high90.5Very high1 Ų129 Ų290%0.00413%0.128CC..Hα-helixtrans-59.1-38175179.3-98.3000113F783 T784 V787 P788 F795 F801 C809 S880 N884F783-Y805 HydrophobicContact CD1-CE2 4.27Å; F783-Y805 AromaticContact CE1-CD2 3.96Å; F783-Y805 HydrophobicContact CE1-CD2 3.96Å; F783-Y805 AromaticContact CE1-CE2 3.71Å; F783-Y805 HydrophobicContact CE1-CE2 3.71Å; F783-Y805 HydrophobicContact CZ-CD2 4.32Å; F783-Y805 HydrophobicContact CZ-CE2 4.43Å; T784-Y805 PolarHBondContact O-OH 2.93Å; V787-Y805 HydrophobicContact CB-CD2 4.32Å; V787-Y805 HydrophobicContact CB-CE2 4Å; V787-Y805 HydrophobicContact CG1-CD2 3.81Å; V787-Y805 HydrophobicContact CG1-CE2 4Å; P788-Y805 HydrophobicContact CG-CE2 4.25Å; F795-Y805 HydrophobicContact CE1-CD1 4.25Å; F795-Y805 HydrophobicContact CE1-CG 4.43Å; F795-Y805 HydrophobicContact CE2-CD1 4.47Å; F795-Y805 HydrophobicContact CE2-CD2 4.06Å; F795-Y805 HydrophobicContact CE2-CE2 4.48Å; F795-Y805 HydrophobicContact CE2-CG 4.03Å; F795-Y805 AromaticContact CZ-CD1 3.5Å; F795-Y805 HydrophobicContact CZ-CD1 3.5Å; F795-Y805 AromaticContact CZ-CD2 3.87Å; F795-Y805 HydrophobicContact CZ-CD2 3.87Å; F795-Y805 AromaticContact CZ-CE1 3.97Å; F795-Y805 HydrophobicContact CZ-CE1 3.97Å; F795-Y805 HydrophobicContact CZ-CE2 4.32Å; F795-Y805 AromaticContact CZ-CG 3.4Å; F795-Y805 HydrophobicContact CZ-CG 3.4Å; F795-Y805 VanDerWaalsContact CZ-CG 3.4Å; F801-Y805 PolarHBondContact O-N 3.46Å; Y805-C809 WeakPolarHBondContact CE1-SG 3.23Å; Y805-C809 WeakPolarHBondContact O-CB 3.2Å; Y805-C809 PolarHBondContact O-N 3.21Å; Y805-C809 PolarHBondContact O-SG 2.58Å; Y805-S880 PolarHBondContact OH-OG 3Å; Y805-N884 HydrophobicContact CD1-CB 4.44Å
806Y94.3Very high90.7Very high29 Ų2928.4 Ų28.411%0.11413%0.126CC..Hα-helixtrans-60.5-50.4173168.8-84.5000110.9A802 V803 L804 D808 C809 M810 I882 L885 L939 V943A802-Y806 WeakPolarHBondContact O-CB 3.42Å; A802-Y806 PolarHBondContact O-N 2.59Å; V803-Y806 WeakPolarHBondContact O-CB 3.28Å; V803-Y806 PolarHBondContact O-N 3.25Å; L804-Y806 VanDerWaalsContact C-N 3.27Å; L804-Y806 PolarHBondContact O-N 3.46Å; Y806-D808 VanDerWaalsContact C-N 3.33Å; Y806-D808 PolarHBondContact O-N 3.46Å; Y806-C809 PolarHBondContact O-N 2.89Å; Y806-M810 HydrophobicContact CD1-CG 4.26Å; Y806-M810 HydrophobicContact CD2-CE 4.04Å; Y806-M810 HydrophobicContact CE1-CG 3.84Å; Y806-M810 HydrophobicContact CE2-CE 3.4Å; Y806-M810 VanDerWaalsContact CE2-CE 3.4Å; Y806-M810 HydrophobicContact CE2-CG 4.25Å; Y806-M810 VanDerWaalsContact O-CG 3.26Å; Y806-M810 WeakPolarHBondContact O-CG 3.37Å; Y806-M810 PolarHBondContact O-N 2.96Å; Y806-I882 HydrophobicContact CE2-CG1 3.95Å; Y806-L885 HydrophobicContact CD1-CD2 4.16Å; Y806-L885 HydrophobicContact CD2-CB 4.03Å; Y806-L885 HydrophobicContact CD2-CD2 3.58Å; Y806-L885 HydrophobicContact CD2-CG 4.46Å; Y806-L885 HydrophobicContact CE2-CD2 3.98Å; Y806-L885 HydrophobicContact CG-CB 4.39Å; Y806-L885 HydrophobicContact CG-CD2 3.7Å; Y806-L939 HydrophobicContact CD1-CD2 3.44Å; Y806-L939 VanDerWaalsContact CD1-CD2 3.44Å; Y806-L939 HydrophobicContact CE1-CD2 3.77Å; Y806-L939 HydrophobicContact CG-CD2 4.31Å; Y806-V943 HydrophobicContact CE1-CG1 4.16Å
807N94Very high90.7Very high1 Ų125.2 Ų25.21%0.00511%0.113CC..Hα-helixtrans-61-44.4179.3-75.3-10.7000111.4M717 V718 V803 L804 C809 M810 Y811 S938 L939 P940M717-N807 WeakPolarHBondContact O-CB 3.48Å; M717-N807 PolarHBondContact O-ND2 3.44Å; V718-N807 HydrophobicContact CG1-CB 4.27Å; V803-N807 PolarHBondContact O-N 3.34Å; L804-N807 PolarHBondContact O-N 3.35Å; L804-N807 VanDerWaalsContact O-N 3.1Å; N807-C809 PolarHBondContact O-N 2.99Å; N807-M810 PolarHBondContact O-N 3.02Å; N807-Y811 WeakPolarHBondContact O-CB 3.19Å; N807-Y811 PolarHBondContact O-N 2.82Å; N807-S938 PolarHBondContact ND2-O 2.88Å; N807-L939 WeakPolarHBondContact OD1-CD2 3.47Å; N807-P940 WeakPolarHBondContact OD1-CD 3.16Å
808D93.8Very high90.2Very high0 Ų017.8 Ų17.80%08%0.081CC..Hα-helixtrans-56.5-48.4175.5-780.1000112.1V718 S719 V722 F783 L804 Y806 M810 Y811 L812V718-D808 WeakPolarHBondContact CA-OD1 3.3Å; V718-D808 WeakPolarHBondContact CB-OD1 3.25Å; S719-D808 VanDerWaalsContact CB-OD2 3.27Å; S719-D808 WeakPolarHBondContact CB-OD2 3.42Å; S719-D808 PolarHBondContact N-OD1 3.41Å; S719-D808 VanDerWaalsContact OG-CG 3.26Å; S719-D808 PolarHBondContact OG-OD1 2.9Å; S719-D808 PolarHBondContact OG-OD2 3.41Å; V722-D808 HydrophobicContact CG2-CB 3.53Å; F783-D808 HydrophobicContact CE1-CB 4.15Å; F783-D808 HydrophobicContact CZ-CB 3.8Å; L804-D808 VanDerWaalsContact O-CB 3.28Å; L804-D808 WeakPolarHBondContact O-CB 3.45Å; L804-D808 PolarHBondContact O-N 3.26Å; Y806-D808 VanDerWaalsContact C-N 3.33Å; Y806-D808 PolarHBondContact O-N 3.46Å; D808-M810 VanDerWaalsContact C-N 3.34Å; D808-M810 PolarHBondContact O-N 3.04Å; D808-Y811 PolarHBondContact O-N 3.37Å; D808-L812 WeakPolarHBondContact O-CB 3.37Å; D808-L812 WeakPolarHBondContact O-CG 3.5Å; D808-L812 PolarHBondContact O-N 3.36Å
809C94.2Very high89.7Confident0 Ų015.6 Ų15.60%07%0.069CC..Hα-helixtrans-63.8-39176.2-72.90000112.2Y805 Y806 N807 A813 L877Y805-C809 WeakPolarHBondContact CE1-SG 3.23Å; Y805-C809 WeakPolarHBondContact O-CB 3.2Å; Y805-C809 PolarHBondContact O-N 3.21Å; Y805-C809 PolarHBondContact O-SG 2.58Å; Y806-C809 PolarHBondContact O-N 2.89Å; N807-C809 PolarHBondContact O-N 2.99Å; C809-A813 WeakPolarHBondContact O-CB 3.48Å; C809-A813 PolarHBondContact O-N 2.65Å; C809-L877 WeakPolarHBondContact CB-O 3.39Å
810M92.2Very high88.8Confident26 Ų2615.1 Ų15.113%0.1287%0.067CC..Hα-helixtrans-68-38.3176.9-68.1-60.2161.600111.6F713 Y806 N807 D808 A813 H814 R878 I882F713-M810 HydrophobicContact CE2-CB 3.84Å; F713-M810 VanDerWaalsContact CE2-O 3.29Å; F713-M810 WeakPolarHBondContact CE2-O 3.31Å; F713-M810 HydrophobicContact CZ-CB 3.7Å; Y806-M810 HydrophobicContact CD1-CG 4.26Å; Y806-M810 HydrophobicContact CD2-CE 4.04Å; Y806-M810 HydrophobicContact CE1-CG 3.84Å; Y806-M810 HydrophobicContact CE2-CE 3.4Å; Y806-M810 VanDerWaalsContact CE2-CE 3.4Å; Y806-M810 HydrophobicContact CE2-CG 4.25Å; Y806-M810 VanDerWaalsContact O-CG 3.26Å; Y806-M810 WeakPolarHBondContact O-CG 3.37Å; Y806-M810 PolarHBondContact O-N 2.96Å; N807-M810 PolarHBondContact O-N 3.02Å; D808-M810 VanDerWaalsContact C-N 3.34Å; D808-M810 PolarHBondContact O-N 3.04Å; M810-A813 PolarHBondContact O-N 3.38Å; M810-H814 WeakPolarHBondContact O-CB 3.38Å; M810-H814 PolarHBondContact O-N 3.11Å; M810-R878 HydrophobicContact CE-CB 4.1Å; M810-R878 HydrophobicContact CE-CG 4.26Å; M810-R878 HydrophobicContact SD-CB 4.29Å; M810-R878 HydrophobicContact SD-CG 3.8Å; M810-I882 HydrophobicContact CE-CD1 3.85Å; M810-I882 HydrophobicContact CE-CG1 3.54Å
811Y91.2Very high87.8Confident23 Ų2315.7 Ų15.79%0.097%0.074CC..Hα-helixtrans-68.6-48.4176.8-180-101.8000111.1T627 L630 F713 V718 V722 N807 D808 A813 H814 E815T627-Y811 HydrophobicContact CG2-CD2 4.4Å; L630-Y811 HydrophobicContact CD2-CE1 4.04Å; F713-Y811 AromaticContact CD1-CD2 3.77Å; F713-Y811 HydrophobicContact CD1-CD2 3.77Å; F713-Y811 HydrophobicContact CE1-CD2 4Å; F713-Y811 HydrophobicContact CE1-CG 4.43Å; F713-Y811 HydrophobicContact CG-CD2 4.09Å; V718-Y811 HydrophobicContact CG1-CG 4.08Å; V722-Y811 HydrophobicContact CG1-CD1 3.55Å; V722-Y811 HydrophobicContact CG1-CE1 4.04Å; N807-Y811 WeakPolarHBondContact O-CB 3.19Å; N807-Y811 PolarHBondContact O-N 2.82Å; D808-Y811 PolarHBondContact O-N 3.37Å; Y811-A813 VanDerWaalsContact C-N 3.26Å; Y811-A813 PolarHBondContact O-N 3.48Å; Y811-H814 CarbonylContact O-C 3.6Å; Y811-H814 WeakPolarHBondContact O-CA 3.49Å; Y811-H814 VanDerWaalsContact O-CB 3.31Å; Y811-H814 WeakPolarHBondContact O-CB 3.41Å; Y811-H814 PolarHBondContact O-N 3.38Å; Y811-E815 HydrophobicContact CD1-CG 4.19Å; Y811-E815 HydrophobicContact CE1-CG 3.72Å; Y811-E815 HydrophobicContact CE2-CG 4.24Å; Y811-E815 WeakPolarHBondContact CE2-OE1 3.49Å; Y811-E815 WeakPolarHBondContact O-CG 3.47Å; Y811-E815 PolarHBondContact O-N 3.48Å; Y811-E815 PolarHBondContact OH-OE1 3.25Å
812L91.3Very high86.9Confident1 Ų122.3 Ų22.31%0.00510%0.099CC..Hα-helixtrans-57.8-40.3172.8-74.5174.5000111.9V722 M726 F783 D808 H814 E815 C816 L877V722-L812 HydrophobicContact CG1-CD1 4.43Å; V722-L812 HydrophobicContact CG1-CD2 3.73Å; V722-L812 HydrophobicContact CG1-CG 3.77Å; V722-L812 HydrophobicContact CG2-CD1 4.34Å; V722-L812 HydrophobicContact CG2-CG 4.49Å; M726-L812 HydrophobicContact CG-CD2 4.04Å; M726-L812 HydrophobicContact SD-CD2 3.7Å; F783-L812 HydrophobicContact CB-CD1 4.17Å; F783-L812 HydrophobicContact CD1-CD1 3.44Å; F783-L812 VanDerWaalsContact CD1-CD1 3.44Å; F783-L812 HydrophobicContact CD2-CD1 4.13Å; F783-L812 HydrophobicContact CE1-CD1 3.78Å; F783-L812 HydrophobicContact CE2-CD1 4.43Å; F783-L812 HydrophobicContact CG-CD1 3.64Å; F783-L812 HydrophobicContact CZ-CD1 4.28Å; D808-L812 WeakPolarHBondContact O-CB 3.37Å; D808-L812 WeakPolarHBondContact O-CG 3.5Å; D808-L812 PolarHBondContact O-N 3.36Å; L812-H814 VanDerWaalsContact C-N 3.29Å; L812-H814 PolarHBondContact O-N 2.75Å; L812-E815 PolarHBondContact O-N 3.43Å; L812-C816 VanDerWaalsContact O-CB 3.29Å; L812-C816 WeakPolarHBondContact O-CB 3.31Å; L812-C816 PolarHBondContact O-N 3.42Å; L812-C816 PolarHBondContact O-SG 2.92Å; L812-L877 HydrophobicContact CB-CD1 4.19Å; L812-L877 HydrophobicContact CB-CD2 4.06Å; L812-L877 HydrophobicContact CD1-CD2 4.26Å
813A89.9Confident86.1Confident0 Ų022.7 Ų22.70%010%0.103CC..Hα-helixtrans-64.1-35.9175.300000111.9C809 M810 Y811 L817 V874 L877 R878C809-A813 WeakPolarHBondContact O-CB 3.48Å; C809-A813 PolarHBondContact O-N 2.65Å; M810-A813 PolarHBondContact O-N 3.38Å; Y811-A813 VanDerWaalsContact C-N 3.26Å; Y811-A813 PolarHBondContact O-N 3.48Å; A813-L817 WeakPolarHBondContact O-CG 3.41Å; A813-V874 HydrophobicContact CB-CG1 4.22Å; A813-V874 WeakPolarHBondContact O-CG2 3.21Å; A813-L877 HydrophobicContact CB-CB 3.9Å; A813-L877 HydrophobicContact CB-CD1 4.34Å; A813-R878 HydrophobicContact CB-CG 3.87Å
814H87.6Confident85.3Confident28 Ų2822.7 Ų22.713%0.1310%0.103CC..Hα-helixtrans-67.8-47.4174.1177.188.3000111.8F711 F713 M810 Y811 L812 C816 L817F711-H814 AromaticContact CD1-CE1 3.13Å; F711-H814 WeakPolarHBondContact CD1-CE1 3.35Å; F711-H814 AromaticContact CD1-ND1 3.68Å; F711-H814 AromaticContact CD1-NE2 3.88Å; F711-H814 AromaticContact CE1-CE1 3.15Å; F711-H814 WeakPolarHBondContact CE1-CE1 3.29Å; F711-H814 AromaticContact CE1-ND1 3.15Å; F711-H814 WeakPolarHBondContact CE1-ND1 3.28Å; F711-H814 AromaticContact CZ-ND1 3.78Å; F711-H814 PolarHBondContact O-CE1 2.97Å; F711-H814 PolarHBondContact O-NE2 2.92Å; F713-H814 HydrophobicContact CD2-CB 3.55Å; F713-H814 AromaticContact CD2-CG 3.7Å; F713-H814 AromaticContact CD2-ND1 4Å; F713-H814 HydrophobicContact CE2-CB 4.07Å; F713-H814 HydrophobicContact CG-CB 4.39Å; M810-H814 WeakPolarHBondContact O-CB 3.38Å; M810-H814 PolarHBondContact O-N 3.11Å; Y811-H814 CarbonylContact O-C 3.6Å; Y811-H814 WeakPolarHBondContact O-CA 3.49Å; Y811-H814 VanDerWaalsContact O-CB 3.31Å; Y811-H814 WeakPolarHBondContact O-CB 3.41Å; Y811-H814 PolarHBondContact O-N 3.38Å; L812-H814 VanDerWaalsContact C-N 3.29Å; L812-H814 PolarHBondContact O-N 2.75Å; H814-C816 VanDerWaalsContact C-N 3.31Å; H814-C816 PolarHBondContact O-N 2.93Å; H814-L817 WeakPolarHBondContact O-CB 3.38Å; H814-L817 PolarHBondContact O-N 3.4Å
815E85.9Confident84.5Confident29 Ų2926 Ų2614%0.13612%0.116CC..Hα-helixtrans-59-42.7175.4-69.4-63.9143.100111.4M726 Y730 Y811 L812 L817 T818 L819M726-E815 HydrophobicContact CE-CB 3.74Å; M726-E815 HydrophobicContact CE-CG 3.97Å; M726-E815 HydrophobicContact SD-CB 4.28Å; M726-E815 HydrophobicContact SD-CG 4.46Å; Y730-E815 PolarHBondContact OH-OE2 2.95Å; Y811-E815 HydrophobicContact CD1-CG 4.19Å; Y811-E815 HydrophobicContact CE1-CG 3.72Å; Y811-E815 HydrophobicContact CE2-CG 4.24Å; Y811-E815 WeakPolarHBondContact CE2-OE1 3.49Å; Y811-E815 WeakPolarHBondContact O-CG 3.47Å; Y811-E815 PolarHBondContact O-N 3.48Å; Y811-E815 PolarHBondContact OH-OE1 3.25Å; L812-E815 PolarHBondContact O-N 3.43Å; E815-L817 PolarHBondContact O-N 3.05Å; E815-L817 VanDerWaalsContact O-N 3.13Å; E815-T818 PolarHBondContact O-N 3.44Å; E815-L819 WeakPolarHBondContact O-CB 3.34Å; E815-L819 PolarHBondContact O-N 3.22Å
816C86.8Confident83.7Confident0 Ų031.7 Ų31.70%014%0.141CC..Hα-helixtrans-60.6-23.2179.2-76.50000114.4L812 H814 T818 T870 C871 V874 L877L812-C816 VanDerWaalsContact O-CB 3.29Å; L812-C816 WeakPolarHBondContact O-CB 3.31Å; L812-C816 PolarHBondContact O-N 3.42Å; L812-C816 PolarHBondContact O-SG 2.92Å; H814-C816 VanDerWaalsContact C-N 3.31Å; H814-C816 PolarHBondContact O-N 2.93Å; C816-T818 VanDerWaalsContact C-N 3.27Å; C816-T818 PolarHBondContact O-N 3.38Å; C816-T870 WeakPolarHBondContact CB-O 3.43Å; C816-T870 CarbonylContact O-C 3.57Å; C816-T870 WeakPolarHBondContact O-CB 3.15Å; C816-T870 PolarHBondContact O-OG1 3.32Å; C816-C871 PolarHBondContact O-N 3.36Å; C816-C871 PolarHBondContact O-SG 3.3Å; C816-V874 HydrophobicContact CB-CG2 3.84Å; C816-L877 HydrophobicContact CB-CD1 4.43Å
817L80.1Confident82.8Confident61 Ų6130.4 Ų30.432%0.31914%0.136SC..Hα-helixtrans-69.4-26.5176.3-71.9167.4000112.6F711 A813 H814 E815 V874F711-L817 HydrophobicContact CE1-CB 4.32Å; F711-L817 HydrophobicContact CE1-CD1 3.77Å; F711-L817 HydrophobicContact CE2-CD1 4.48Å; F711-L817 HydrophobicContact CZ-CD1 3.36Å; A813-L817 WeakPolarHBondContact O-CG 3.41Å; H814-L817 WeakPolarHBondContact O-CB 3.38Å; H814-L817 PolarHBondContact O-N 3.4Å; E815-L817 PolarHBondContact O-N 3.05Å; E815-L817 VanDerWaalsContact O-N 3.13Å; L817-V874 HydrophobicContact CD2-CG1 4.36Å; L817-V874 HydrophobicContact CD2-CG2 3.85Å; L817-V874 HydrophobicContact CG-CG2 3.93Å
818T75.8Confident81.9Confident10 Ų1030.4 Ų30.46%0.06114%0.136CC..Hα-helixtrans-117.3-19.5-177.569.40000113.4E815 C816 G820 E821 R822E815-T818 PolarHBondContact O-N 3.44Å; C816-T818 VanDerWaalsContact C-N 3.27Å; C816-T818 PolarHBondContact O-N 3.38Å; T818-G820 VanDerWaalsContact C-N 3.28Å; T818-G820 PolarHBondContact O-N 3.49Å; T818-E821 PolarHBondContact O-N 2.66Å; T818-R822 VanDerWaalsContact O-CB 3.25Å; T818-R822 WeakPolarHBondContact O-CB 3.41Å; T818-R822 WeakPolarHBondContact O-CG 3.5Å; T818-R822 PolarHBondContact O-N 2.93Å; T818-R822 PolarHBondContact OG1-NH1 2.96Å
819L80.5Confident80.9Confident0 Ų033.6 Ų33.60%015%0.151CC..Hα-helixtrans-59.1-37.3-179.7-178.563.6000113M726 I729 Y730 L733 I776 I780 E815 G823 L824 T870M726-L819 HydrophobicContact CE-CD2 4.3Å; I729-L819 HydrophobicContact CG2-CD2 4.26Å; Y730-L819 HydrophobicContact CD1-CD1 4.31Å; Y730-L819 HydrophobicContact CE1-CD1 3.52Å; L733-L819 HydrophobicContact CD1-CD1 4.33Å; I776-L819 HydrophobicContact CG2-CD2 4.09Å; I780-L819 HydrophobicContact CD1-CD2 3.63Å; E815-L819 WeakPolarHBondContact O-CB 3.34Å; E815-L819 PolarHBondContact O-N 3.22Å; L819-G823 VanDerWaalsContact O-CA 3.31Å; L819-G823 WeakPolarHBondContact O-CA 3.48Å; L819-G823 PolarHBondContact O-N 3.34Å; L819-L824 PolarHBondContact O-N 2.79Å; L819-L824 VanDerWaalsContact O-N 3.13Å; L819-T870 HydrophobicContact CB-CG2 4.28Å; L819-T870 HydrophobicContact CD2-CG2 3.93Å; L819-T870 HydrophobicContact CG-CG2 4.11Å
820G73Confident79.7Confident0 Ų038.6 Ų38.60%017%0.174CC..Iπ-helixtrans-61.4-46.2177.500000112.1T818 L824 Y825 T870T818-G820 VanDerWaalsContact C-N 3.28Å; T818-G820 PolarHBondContact O-N 3.49Å; G820-L824 PolarHBondContact O-N 3.18Å; G820-Y825 VanDerWaalsContact O-CB 3.24Å; G820-Y825 WeakPolarHBondContact O-CB 3.27Å; G820-Y825 PolarHBondContact O-N 3.19Å; G820-T870 VanDerWaalsContact CA-OG1 3.31Å; G820-T870 WeakPolarHBondContact CA-OG1 3.13Å; G820-T870 PolarHBondContact N-OG1 2.86Å
821E71Confident78.4Confident120 Ų12038.6 Ų38.656%0.56117%0.173SC*.Iπ-helixtrans-82.7-43.9-179.4-169.4-177.6174.100112.8T818T818-E821 PolarHBondContact O-N 2.66Å
822R73.4Confident77.2Confident139 Ų13937.5 Ų37.553%0.52517%0.169SC..Iπ-helixtrans-78.7-28.7-175.2-66.1-177.5178.3161.4-4.7113.6T818 K826T818-R822 VanDerWaalsContact O-CB 3.25Å; T818-R822 WeakPolarHBondContact O-CB 3.41Å; T818-R822 WeakPolarHBondContact O-CG 3.5Å; T818-R822 PolarHBondContact O-N 2.93Å; T818-R822 PolarHBondContact OG1-NH1 2.96Å; R822-K826 VanDerWaalsContact O-CD 3.29Å; R822-K826 WeakPolarHBondContact O-CD 3.46Å
823G74.6Confident75.8Confident8 Ų841.6 Ų41.68%0.08219%0.191CC..Iπ-helixtrans-108.1-75-179.100000111.8L819 Y825 K826 F827L819-G823 VanDerWaalsContact O-CA 3.31Å; L819-G823 WeakPolarHBondContact O-CA 3.48Å; L819-G823 PolarHBondContact O-N 3.34Å; G823-Y825 PolarHBondContact O-N 2.93Å; G823-K826 PolarHBondContact O-N 3.2Å; G823-F827 PolarHBondContact O-N 3.44Å
824L76.1Confident73.9Confident0 Ų043.2 Ų43.20%020%0.199CC..Iπ-helixtrans-63.3-44.2-170.7-75.1169.6000113.3L733 I772 I776 L819 G820 F827 V828 A866 S869 T870L733-L824 HydrophobicContact CD2-CD2 3.74Å; L733-L824 HydrophobicContact CD2-CG 4.48Å; I772-L824 HydrophobicContact CG2-CD2 4.36Å; I776-L824 HydrophobicContact CB-CD1 4.27Å; I776-L824 HydrophobicContact CB-CD2 4.29Å; I776-L824 HydrophobicContact CG1-CD2 3.98Å; I776-L824 HydrophobicContact CG2-CD1 4.33Å; L819-L824 PolarHBondContact O-N 2.79Å; L819-L824 VanDerWaalsContact O-N 3.13Å; G820-L824 PolarHBondContact O-N 3.18Å; L824-F827 WeakPolarHBondContact O-CB 3.44Å; L824-F827 PolarHBondContact O-N 3.15Å; L824-V828 VanDerWaalsContact O-CG2 3.3Å; L824-V828 WeakPolarHBondContact O-CG2 3.3Å; L824-V828 PolarHBondContact O-N 3.07Å; L824-A866 HydrophobicContact CB-CB 4.27Å; L824-S869 WeakPolarHBondContact CD1-OG 3.15Å; L824-T870 HydrophobicContact CD1-CG2 3.85Å
825Y75.2Confident72.3Confident71 Ų7142.8 Ų42.828%0.27820%0.202SC..Iπ-helixtrans-64.6-41.4179.1175.8-92.9000111.2G820 G823 F827 V828 Q829 E863G820-Y825 VanDerWaalsContact O-CB 3.24Å; G820-Y825 WeakPolarHBondContact O-CB 3.27Å; G820-Y825 PolarHBondContact O-N 3.19Å; G823-Y825 PolarHBondContact O-N 2.93Å; Y825-F827 PolarHBondContact O-N 3.31Å; Y825-V828 PolarHBondContact O-N 3.45Å; Y825-Q829 HydrophobicContact CE1-CB 4.35Å; Y825-Q829 VanDerWaalsContact CE1-OE1 3.24Å; Y825-Q829 VanDerWaalsContact O-CB 3.27Å; Y825-Q829 WeakPolarHBondContact O-CB 3.38Å; Y825-Q829 PolarHBondContact O-N 3.26Å; Y825-E863 HydrophobicContact CE2-CB 4.41Å
826K76.3Confident70.7Confident120 Ų12045.5 Ų45.552%0.52221%0.212SC..Hα-helixtrans-61.1-44.2173.5-70.1-165.9-174.6176.10112.3R822 G823 V828 Q829 Q830R822-K826 VanDerWaalsContact O-CD 3.29Å; R822-K826 WeakPolarHBondContact O-CD 3.46Å; G823-K826 PolarHBondContact O-N 3.2Å; K826-V828 VanDerWaalsContact C-N 3.33Å; K826-V828 PolarHBondContact O-N 3.03Å; K826-Q829 PolarHBondContact O-N 3.2Å; K826-Q830 WeakPolarHBondContact O-CG 3.11Å; K826-Q830 PolarHBondContact O-N 3.38Å
827F75.6Confident68.7Low2 Ų249.9 Ų49.91%0.00924%0.236CC..Hα-helixtrans-57.1-46.1174.6167.1-102.5000111.7C736 E737 L740 F768 V769 I772 G823 L824 Y825C736-F827 HydrophobicContact CB-CE2 3.72Å; C736-F827 HydrophobicContact CB-CZ 4.12Å; E737-F827 HydrophobicContact CG-CD2 3.62Å; E737-F827 HydrophobicContact CG-CE2 4.34Å; L740-F827 HydrophobicContact CD1-CD2 4.39Å; L740-F827 HydrophobicContact CD1-CE2 3.39Å; L740-F827 HydrophobicContact CD1-CZ 3.5Å; F768-F827 HydrophobicContact CE1-CZ 4.46Å; V769-F827 HydrophobicContact CB-CE1 4.46Å; V769-F827 HydrophobicContact CG1-CD1 4.5Å; V769-F827 HydrophobicContact CG1-CE1 3.94Å; V769-F827 HydrophobicContact CG2-CE1 4.44Å; I772-F827 HydrophobicContact CB-CE1 3.88Å; I772-F827 HydrophobicContact CB-CZ 4.13Å; I772-F827 HydrophobicContact CG1-CE1 4.41Å; I772-F827 HydrophobicContact CG1-CZ 4.17Å; I772-F827 HydrophobicContact CG2-CD1 4.27Å; I772-F827 HydrophobicContact CG2-CE1 3.71Å; I772-F827 HydrophobicContact CG2-CZ 4.01Å; G823-F827 PolarHBondContact O-N 3.44Å; L824-F827 WeakPolarHBondContact O-CB 3.44Å; L824-F827 PolarHBondContact O-N 3.15Å; Y825-F827 PolarHBondContact O-N 3.31Å
828V75.5Confident67.1Low0 Ų047.7 Ų47.70%022%0.224CC..Hα-helixtrans-70.1-40176.8-176.10000110.8V769 L824 Y825 K826 Q830 F831 L832 L862 A866V769-V828 HydrophobicContact CG1-CB 4.47Å; V769-V828 HydrophobicContact CG1-CG1 4.28Å; V769-V828 HydrophobicContact CG1-CG2 3.73Å; L824-V828 VanDerWaalsContact O-CG2 3.3Å; L824-V828 WeakPolarHBondContact O-CG2 3.3Å; L824-V828 PolarHBondContact O-N 3.07Å; Y825-V828 PolarHBondContact O-N 3.45Å; K826-V828 VanDerWaalsContact C-N 3.33Å; K826-V828 PolarHBondContact O-N 3.03Å; V828-Q830 PolarHBondContact O-N 3.2Å; V828-F831 WeakPolarHBondContact O-CA 3.17Å; V828-F831 VanDerWaalsContact O-CB 3.29Å; V828-F831 WeakPolarHBondContact O-CB 3.37Å; V828-F831 PolarHBondContact O-N 3.13Å; V828-L832 HydrophobicContact CB-CD1 4.38Å; V828-L832 HydrophobicContact CG1-CD1 3.58Å; V828-L832 HydrophobicContact CG1-CG 4Å; V828-L832 WeakPolarHBondContact O-CD1 3.28Å; V828-L832 WeakPolarHBondContact O-CG 3.18Å; V828-L832 PolarHBondContact O-N 3.22Å; V828-L862 HydrophobicContact CG1-CD2 4.17Å; V828-L862 HydrophobicContact CG1-CG 3.96Å; V828-A866 HydrophobicContact CB-CB 4.28Å; V828-A866 HydrophobicContact CG2-CB 3.63Å
829Q72.5Confident65.5Low68 Ų6849.4 Ų49.432%0.31823%0.232SC..Hα-helixtrans-60.6-42.2-179.6-166.5-173.8-18.600112.4Y825 K826 F831 L832 D833Y825-Q829 HydrophobicContact CE1-CB 4.35Å; Y825-Q829 VanDerWaalsContact CE1-OE1 3.24Å; Y825-Q829 VanDerWaalsContact O-CB 3.27Å; Y825-Q829 WeakPolarHBondContact O-CB 3.38Å; Y825-Q829 PolarHBondContact O-N 3.26Å; K826-Q829 PolarHBondContact O-N 3.2Å; Q829-F831 PolarHBondContact O-N 3.28Å; Q829-L832 WeakPolarHBondContact O-CB 3.23Å; Q829-L832 PolarHBondContact O-N 3.04Å; Q829-D833 PolarHBondContact O-N 3.36Å
830Q68.7Low63.6Low104 Ų10452.6 Ų52.649%0.48625%0.251SS..Hα-helixtrans-56.8-32.4173.9-72.1174.19.100112.5K826 V828K826-Q830 WeakPolarHBondContact O-CG 3.11Å; K826-Q830 PolarHBondContact O-N 3.38Å; V828-Q830 PolarHBondContact O-N 3.2Å
831F66.2Low62.2Low26 Ų2656.7 Ų56.711%0.11427%0.273CS..Hα-helixtrans-76.7-37.4173.6172.6-99.6000112.5T765 I766 V769 V828 Q829 G835 L859T765-F831 HydrophobicContact CG2-CD2 3.79Å; T765-F831 HydrophobicContact CG2-CE2 3.35Å; T765-F831 HydrophobicContact CG2-CZ 4.26Å; I766-F831 HydrophobicContact CG1-CE1 4.04Å; I766-F831 HydrophobicContact CG1-CZ 3.67Å; V769-F831 HydrophobicContact CG2-CB 4.5Å; V769-F831 HydrophobicContact CG2-CD1 4.35Å; V769-F831 HydrophobicContact CG2-CD2 4.32Å; V769-F831 HydrophobicContact CG2-CG 4.12Å; V828-F831 WeakPolarHBondContact O-CA 3.17Å; V828-F831 VanDerWaalsContact O-CB 3.29Å; V828-F831 WeakPolarHBondContact O-CB 3.37Å; V828-F831 PolarHBondContact O-N 3.13Å; Q829-F831 PolarHBondContact O-N 3.28Å; F831-G835 PolarHBondContact O-N 2.92Å; F831-L859 HydrophobicContact CD1-CD1 4.5Å; F831-L859 HydrophobicContact CE1-CD1 3.99Å
832L65Low60.8Low1 Ų153.4 Ų53.41%0.00526%0.262CS..Hα-helixtrans-70.3-46.4-176.9-66.2161.3000113.3V828 Q829 L834 G835 Y836 L859 E863V828-L832 HydrophobicContact CB-CD1 4.38Å; V828-L832 HydrophobicContact CG1-CD1 3.58Å; V828-L832 HydrophobicContact CG1-CG 4Å; V828-L832 WeakPolarHBondContact O-CD1 3.28Å; V828-L832 WeakPolarHBondContact O-CG 3.18Å; V828-L832 PolarHBondContact O-N 3.22Å; Q829-L832 WeakPolarHBondContact O-CB 3.23Å; Q829-L832 PolarHBondContact O-N 3.04Å; L832-L834 PolarHBondContact O-N 2.92Å; L832-L834 VanDerWaalsContact O-N 3.11Å; L832-G835 CarbonylContact O-C 3.57Å; L832-G835 WeakPolarHBondContact O-CA 3.09Å; L832-G835 PolarHBondContact O-N 3.49Å; L832-Y836 HydrophobicContact CB-CD2 4.45Å; L832-Y836 VanDerWaalsContact O-CD2 3.22Å; L832-Y836 WeakPolarHBondContact O-CD2 3.37Å; L832-Y836 PolarHBondContact O-N 2.97Å; L832-L859 HydrophobicContact CD2-CB 4.34Å; L832-L859 HydrophobicContact CD2-CD1 3.32Å; L832-L859 HydrophobicContact CD2-CD2 3.45Å; L832-L859 VanDerWaalsContact CD2-CD2 3.45Å; L832-L859 HydrophobicContact CD2-CG 3.05Å; L832-E863 HydrophobicContact CD1-CB 4.47Å; L832-E863 HydrophobicContact CD1-CG 3.1Å; L832-E863 WeakPolarHBondContact CD1-OE1 3.33Å; L832-E863 HydrophobicContact CD2-CG 4.18Å; L832-E863 HydrophobicContact CG-CG 4.28Å
833D61.7Low59.2Low86 Ų8651.1 Ų51.146%0.4626%0.259SS..Hα-helixtrans-53.7-35179.2-71.5-20.3000109.8Q829 D837Q829-D833 PolarHBondContact O-N 3.36Å; D833-D837 PolarHBondContact O-N 3.25Å; D833-D837 VanDerWaalsContact O-N 3.11Å
834L51Low57.7Low34 Ų3457 Ų5718%0.17829%0.289CS..Hα-helixtrans-80.7-37.9173.3-163.377.6000114.2I744 L832 Y836 D837 I838I744-L834 HydrophobicContact CB-CD2 3.97Å; I744-L834 HydrophobicContact CG1-CD2 4Å; I744-L834 HydrophobicContact CG2-CD2 3.43Å; I744-L834 VanDerWaalsContact CG2-CD2 3.43Å; L832-L834 PolarHBondContact O-N 2.92Å; L832-L834 VanDerWaalsContact O-N 3.11Å; L834-Y836 PolarHBondContact O-N 3.31Å; L834-D837 HydrophobicContact CD1-CB 4.47Å; L834-D837 PolarHBondContact O-N 3.31Å; L834-D837 VanDerWaalsContact O-N 3.11Å; L834-I838 HydrophobicContact CG-CD1 4.36Å; L834-I838 WeakPolarHBondContact O-CG1 3.49Å; L834-I838 PolarHBondContact O-N 2.92Å
835G53.4Low56.1Low19 Ų1963.8 Ų63.820%0.19633%0.325CS..Hα-helixtrans-55.1-40.2172.800000111.8F831 L832 I838 M839F831-G835 PolarHBondContact O-N 2.92Å; L832-G835 CarbonylContact O-C 3.57Å; L832-G835 WeakPolarHBondContact O-CA 3.09Å; L832-G835 PolarHBondContact O-N 3.49Å; G835-I838 PolarHBondContact O-N 3.46Å; G835-M839 PolarHBondContact O-N 2.82Å
836Y51.7Low54.4Low86 Ų8664 Ų6434%0.33733%0.334SS..Hα-helixtrans-69.3-41.2172.1-77.8-69.7000112.7L832 L834 I838 M839 T840 L859L832-Y836 HydrophobicContact CB-CD2 4.45Å; L832-Y836 VanDerWaalsContact O-CD2 3.22Å; L832-Y836 WeakPolarHBondContact O-CD2 3.37Å; L832-Y836 PolarHBondContact O-N 2.97Å; L834-Y836 PolarHBondContact O-N 3.31Å; Y836-I838 VanDerWaalsContact C-N 3.25Å; Y836-I838 PolarHBondContact O-N 3.31Å; Y836-M839 PolarHBondContact O-N 3.46Å; Y836-T840 WeakPolarHBondContact O-CB 3.47Å; Y836-T840 VanDerWaalsContact O-CG2 3.28Å; Y836-T840 WeakPolarHBondContact O-CG2 3.46Å; Y836-T840 PolarHBondContact O-N 2.99Å; Y836-T840 PolarHBondContact O-OG1 3.33Å; Y836-L859 HydrophobicContact CE2-CD2 4.33Å
837D46.6Very low52.6Low93 Ų9364.4 Ų64.450%0.49735%0.347SS..Hα-helixtrans-59.7-35.2173.5-83.7-17.1000112.5D833 L834 T840 N841D833-D837 PolarHBondContact O-N 3.25Å; D833-D837 VanDerWaalsContact O-N 3.11Å; L834-D837 HydrophobicContact CD1-CB 4.47Å; L834-D837 PolarHBondContact O-N 3.31Å; L834-D837 VanDerWaalsContact O-N 3.11Å; D837-T840 WeakPolarHBondContact CA-OG1 3.19Å; D837-T840 PolarHBondContact O-OG1 2.97Å; D837-N841 WeakPolarHBondContact O-CB 3.43Å; D837-N841 PolarHBondContact O-N 3.1Å; D837-N841 PolarHBondContact O-ND2 2.83Å
838I45.8Very low50.8Low14 Ų1471.4 Ų71.47%0.07238%0.383CS..Hα-helixtrans-72.5-45.7175.5-63.7163.6000110.6V747 L751 L834 G835 Y836 N841 T842V747-I838 HydrophobicContact CG1-CD1 3.64Å; L751-I838 HydrophobicContact CD1-CG1 4.05Å; L751-I838 HydrophobicContact CD1-CG2 4.18Å; L834-I838 HydrophobicContact CG-CD1 4.36Å; L834-I838 WeakPolarHBondContact O-CG1 3.49Å; L834-I838 PolarHBondContact O-N 2.92Å; G835-I838 PolarHBondContact O-N 3.46Å; Y836-I838 VanDerWaalsContact C-N 3.25Å; Y836-I838 PolarHBondContact O-N 3.31Å; I838-N841 PolarHBondContact O-N 2.8Å; I838-T842 PolarHBondContact O-N 2.95Å; I838-T842 PolarHBondContact O-OG1 2.74Å
839M41Very low49.1Very low46 Ų4675.3 Ų75.323%0.22741%0.407CS..Hα-helixtrans-61.9-45.8177.8-83.1-160.1-177.300111.6G835 Y836 N841 T842 L843 T855G835-M839 PolarHBondContact O-N 2.82Å; Y836-M839 PolarHBondContact O-N 3.46Å; M839-N841 PolarHBondContact O-N 3.18Å; M839-T842 PolarHBondContact O-N 2.85Å; M839-T842 VanDerWaalsContact O-N 3.14Å; M839-L843 VanDerWaalsContact O-CB 3.24Å; M839-L843 WeakPolarHBondContact O-CB 3.47Å; M839-L843 PolarHBondContact O-N 3.31Å; M839-T855 HydrophobicContact CE-CG2 3.63Å
840T42.5Very low47.5Very low67 Ų6776.5 Ų76.541%0.41142%0.422SS..Hα-helixtrans-64.2-39-179.552.90000112.3Y836 D837 T842 L843 N844Y836-T840 WeakPolarHBondContact O-CB 3.47Å; Y836-T840 VanDerWaalsContact O-CG2 3.28Å; Y836-T840 WeakPolarHBondContact O-CG2 3.46Å; Y836-T840 PolarHBondContact O-N 2.99Å; Y836-T840 PolarHBondContact O-OG1 3.33Å; D837-T840 WeakPolarHBondContact CA-OG1 3.19Å; D837-T840 PolarHBondContact O-OG1 2.97Å; T840-T842 VanDerWaalsContact C-N 3.33Å; T840-T842 PolarHBondContact O-N 2.79Å; T840-L843 PolarHBondContact O-N 2.94Å; T840-N844 PolarHBondContact O-N 3.44Å
841N42.8Very low46.2Very low87 Ų8777.6 Ų77.647%0.46543%0.43SS..Hα-helixtrans-67.9-32.2173.9-78.4-46.4000112.9L751 D837 I838 M839L751-N841 HydrophobicContact CD2-CB 4.09Å; D837-N841 WeakPolarHBondContact O-CB 3.43Å; D837-N841 PolarHBondContact O-N 3.1Å; D837-N841 PolarHBondContact O-ND2 2.83Å; I838-N841 PolarHBondContact O-N 2.8Å; M839-N841 PolarHBondContact O-N 3.18Å
842T40.5Very low44.9Very low51 Ų5178.9 Ų78.931%0.31344%0.436SS..Hα-helixtrans-77.5-36.6176.6-42.80000111.8I838 M839 T840 N844 N845 T846I838-T842 PolarHBondContact O-N 2.95Å; I838-T842 PolarHBondContact O-OG1 2.74Å; M839-T842 PolarHBondContact O-N 2.85Å; M839-T842 VanDerWaalsContact O-N 3.14Å; T840-T842 VanDerWaalsContact C-N 3.33Å; T840-T842 PolarHBondContact O-N 2.79Å; T842-N844 VanDerWaalsContact C-N 3.28Å; T842-N844 PolarHBondContact O-N 3.09Å; T842-N845 CarbonylContact O-C 3.55Å; T842-N845 PolarHBondContact O-N 3.25Å; T842-T846 PolarHBondContact O-N 3.37Å; T842-T846 VanDerWaalsContact O-N 3.09Å; T842-T846 PolarHBondContact O-OG1 3.11Å
843L39.7Very low43.8Very low91 Ų9181.8 Ų81.848%0.47646%0.457SS..Hα-helixtrans-64-32.6179.6-165.476.8000112M839 T840 N845 I848M839-L843 VanDerWaalsContact O-CB 3.24Å; M839-L843 WeakPolarHBondContact O-CB 3.47Å; M839-L843 PolarHBondContact O-N 3.31Å; T840-L843 PolarHBondContact O-N 2.94Å; L843-N845 PolarHBondContact O-N 3.42Å; L843-I848 HydrophobicContact CD1-CG1 4.38Å
844N44.5Very low43Very low130 Ų13082.5 Ų82.570%0.69546%0.461SS*.THydrogen-bonded Turntrans-64.8-16.8173.3-74.6-21.2000113.1T840 T842T840-N844 PolarHBondContact O-N 3.44Å; T842-N844 VanDerWaalsContact C-N 3.28Å; T842-N844 PolarHBondContact O-N 3.09Å
845N42.5Very low42.8Very low144 Ų14483.6 Ų83.677%0.7747%0.469SS*.THydrogen-bonded Turntrans-116.7-6.7-178.2-74.3-18.4000114.9T842 L843T842-N845 CarbonylContact O-C 3.55Å; T842-N845 PolarHBondContact O-N 3.25Å; L843-N845 PolarHBondContact O-N 3.42Å
846T38.1Very low42.5Very low76 Ų7684.6 Ų84.647%0.46647%0.473SS..SBendtrans-143.7137-174.9-23.30000113.1T842T842-T846 PolarHBondContact O-N 3.37Å; T842-T846 VanDerWaalsContact O-N 3.09Å; T842-T846 PolarHBondContact O-OG1 3.11Å
847T39.8Very low42.6Very low128 Ų12884.8 Ų84.879%0.78548%0.48SS*.  trans-67.5134.8179.3-18.30000110.5T849T847-T849 PolarHBondContact O-N 3.13Å; T847-T849 VanDerWaalsContact O-N 3.16Å
848I37.2Very low43.1Very low149 Ų14985.4 Ų85.476%0.76448%0.483SS*.  trans-43.7112.1-178-58.6162.9000111.3L843L843-I848 HydrophobicContact CD1-CG1 4.38Å
849T39.2Very low43.9Very low82 Ų8285.4 Ų85.450%0.50348%0.483SS..  trans-116148.4170.649.40000111T847 I851 E852T847-T849 PolarHBondContact O-N 3.13Å; T847-T849 VanDerWaalsContact O-N 3.16Å; T849-I851 PolarHBondContact O-N 3.09Å; T849-E852 PolarHBondContact O-N 3.01Å; T849-E852 VanDerWaalsContact O-N 3.16Å
850S40.7Very low45Very low93 Ų9384.9 Ų84.965%0.6548%0.482SS*.Hα-helixtrans-60.4-8.9-171.8530000116.3S853S850-S853 PolarHBondContact O-OG 3.44Å
851I40.1Very low46.2Very low126 Ų12686.1 Ų86.165%0.64649%0.486SS*.Hα-helixtrans-76.6-30.6178.1-59.5173000110.3T849 T855T849-I851 PolarHBondContact O-N 3.09Å; I851-T855 PolarHBondContact O-N 3.39Å; I851-T855 PolarHBondContact O-OG1 3.32Å; I851-T855 VanDerWaalsContact O-OG1 3.12Å
852E40.1Very low47.5Very low53 Ų5382.6 Ų82.625%0.24847%0.466CS..Hα-helixtrans-77.6-34.9-178.2-66.8-177.3156.500112.7T849 N854 T855 C856T849-E852 PolarHBondContact O-N 3.01Å; T849-E852 VanDerWaalsContact O-N 3.16Å; E852-N854 VanDerWaalsContact C-N 3.31Å; E852-N854 PolarHBondContact O-N 3.45Å; E852-T855 PolarHBondContact O-N 3.48Å; E852-T855 VanDerWaalsContact O-N 3.1Å; E852-C856 PolarHBondContact O-N 2.79Å
853S41.2Very low48.9Very low62 Ų6282.1 Ų82.143%0.43446%0.461SS..Hα-helixtrans-62.4-37.2175.243.30000112.4S850 T855 N857S850-S853 PolarHBondContact O-OG 3.44Å; S853-T855 VanDerWaalsContact C-N 3.33Å; S853-N857 WeakPolarHBondContact O-CB 3.29Å; S853-N857 VanDerWaalsContact O-CG 3.26Å; S853-N857 PolarHBondContact O-N 3.41Å; S853-N857 PolarHBondContact O-ND2 2.81Å
854N44.5Very low50.3Low102 Ų10286 Ų8655%0.54547%0.469SS..Hα-helixtrans-66.4-36.2173.3-75.4-19.1000112.4E852 N857 N858E852-N854 VanDerWaalsContact C-N 3.31Å; E852-N854 PolarHBondContact O-N 3.45Å; N854-N857 PolarHBondContact O-N 2.76Å; N854-N858 VanDerWaalsContact O-CG 3.29Å; N854-N858 PolarHBondContact O-N 3.41Å; N854-N858 PolarHBondContact O-ND2 2.84Å
855T46.3Very low51.5Low56 Ų5682.4 Ų82.434%0.34445%0.454SS..Hα-helixtrans-68.7-45.1178.5-53.50000110.7M839 I851 E852 S853 N857 N858 L859M839-T855 HydrophobicContact CE-CG2 3.63Å; I851-T855 PolarHBondContact O-N 3.39Å; I851-T855 PolarHBondContact O-OG1 3.32Å; I851-T855 VanDerWaalsContact O-OG1 3.12Å; E852-T855 PolarHBondContact O-N 3.48Å; E852-T855 VanDerWaalsContact O-N 3.1Å; S853-T855 VanDerWaalsContact C-N 3.33Å; T855-N857 VanDerWaalsContact C-N 3.33Å; T855-N857 PolarHBondContact O-N 3.37Å; T855-N858 PolarHBondContact O-N 2.71Å; T855-L859 VanDerWaalsContact O-CB 3.26Å; T855-L859 WeakPolarHBondContact O-CB 3.36Å; T855-L859 PolarHBondContact O-N 2.83Å
856C48.3Very low53Low41 Ų4175.6 Ų75.628%0.27742%0.418SS..Hα-helixtrans-60.1-41174.4-176.90000112E852 L859 T860E852-C856 PolarHBondContact O-N 2.79Å; C856-L859 WeakPolarHBondContact O-CB 3.46Å; C856-L859 PolarHBondContact O-N 3.37Å; C856-T860 WeakPolarHBondContact O-CG2 3.44Å; C856-T860 PolarHBondContact O-N 3.35Å; C856-T860 PolarHBondContact O-OG1 3.24Å
857N53.6Low54.5Low90 Ų9073.7 Ų73.748%0.48141%0.407SS..Hα-helixtrans-62.6-46174.7-74.5-19.6000112.4S853 N854 T855 L859 T860 I861S853-N857 WeakPolarHBondContact O-CB 3.29Å; S853-N857 VanDerWaalsContact O-CG 3.26Å; S853-N857 PolarHBondContact O-N 3.41Å; S853-N857 PolarHBondContact O-ND2 2.81Å; N854-N857 PolarHBondContact O-N 2.76Å; T855-N857 VanDerWaalsContact C-N 3.33Å; T855-N857 PolarHBondContact O-N 3.37Å; N857-L859 PolarHBondContact O-N 3.21Å; N857-T860 PolarHBondContact O-N 2.8Å; N857-T860 PolarHBondContact O-OG1 3.43Å; N857-I861 WeakPolarHBondContact O-CD1 3.2Å; N857-I861 WeakPolarHBondContact O-CG1 3.26Å; N857-I861 PolarHBondContact O-N 3.27Å
858N56.3Low56.1Low105 Ų10572.3 Ų72.356%0.56140%0.395SS*.Hα-helixtrans-60.8-35.5176.7-72.1-23.8000112N854 T855 I861 L862N854-N858 VanDerWaalsContact O-CG 3.29Å; N854-N858 PolarHBondContact O-N 3.41Å; N854-N858 PolarHBondContact O-ND2 2.84Å; T855-N858 PolarHBondContact O-N 2.71Å; N858-I861 PolarHBondContact O-N 2.89Å; N858-L862 PolarHBondContact O-N 3.49Å
859L62.3Low57.9Low14 Ų1466 Ų667%0.07336%0.364CS..Hα-helixtrans-71-44.8-177.8-158.167.1000112F831 L832 Y836 T855 C856 N857 I861 L862 E863F831-L859 HydrophobicContact CD1-CD1 4.5Å; F831-L859 HydrophobicContact CE1-CD1 3.99Å; L832-L859 HydrophobicContact CD2-CB 4.34Å; L832-L859 HydrophobicContact CD2-CD1 3.32Å; L832-L859 HydrophobicContact CD2-CD2 3.45Å; L832-L859 VanDerWaalsContact CD2-CD2 3.45Å; L832-L859 HydrophobicContact CD2-CG 3.05Å; Y836-L859 HydrophobicContact CE2-CD2 4.33Å; T855-L859 VanDerWaalsContact O-CB 3.26Å; T855-L859 WeakPolarHBondContact O-CB 3.36Å; T855-L859 PolarHBondContact O-N 2.83Å; C856-L859 WeakPolarHBondContact O-CB 3.46Å; C856-L859 PolarHBondContact O-N 3.37Å; N857-L859 PolarHBondContact O-N 3.21Å; L859-I861 VanDerWaalsContact C-N 3.3Å; L859-I861 PolarHBondContact O-N 3.32Å; L859-L862 WeakPolarHBondContact O-CB 3.47Å; L859-L862 PolarHBondContact O-N 3.42Å; L859-L862 VanDerWaalsContact O-N 3.13Å; L859-E863 PolarHBondContact O-N 3.3Å
860T64.6Low59.8Low36 Ų3662.1 Ų62.122%0.22134%0.34CS..Hα-helixtrans-65.9-30.7172.2580000112.9C856 N857 L862 R864C856-T860 WeakPolarHBondContact O-CG2 3.44Å; C856-T860 PolarHBondContact O-N 3.35Å; C856-T860 PolarHBondContact O-OG1 3.24Å; N857-T860 PolarHBondContact O-N 2.8Å; N857-T860 PolarHBondContact O-OG1 3.43Å; T860-L862 VanDerWaalsContact C-N 3.35Å; T860-R864 WeakPolarHBondContact O-CG 3.45Å; T860-R864 PolarHBondContact O-N 2.93Å
861I68.3Low61.5Low93 Ų9359.6 Ų59.648%0.47732%0.322SS..Hα-helixtrans-66.3-39.5171.7-69.4164000110.5N857 N858 L859 R864 S865N857-I861 WeakPolarHBondContact O-CD1 3.2Å; N857-I861 WeakPolarHBondContact O-CG1 3.26Å; N857-I861 PolarHBondContact O-N 3.27Å; N858-I861 PolarHBondContact O-N 2.89Å; L859-I861 VanDerWaalsContact C-N 3.3Å; L859-I861 PolarHBondContact O-N 3.32Å; I861-R864 PolarHBondContact O-N 3.5Å; I861-S865 VanDerWaalsContact O-CB 3.25Å; I861-S865 WeakPolarHBondContact O-CB 3.37Å; I861-S865 PolarHBondContact O-N 2.91Å; I861-S865 PolarHBondContact O-OG 2.97Å
862L69.4Low63.4Low12 Ų1259.6 Ų59.66%0.06332%0.322CS..Hα-helixtrans-65.9-42.5177.6-173.758.3000111.9V769 E770 V828 N858 L859 T860 R864 S865 A866V769-L862 HydrophobicContact CB-CD2 4.32Å; V769-L862 HydrophobicContact CG1-CD2 3.78Å; V769-L862 HydrophobicContact CG1-CG 4.45Å; E770-L862 HydrophobicContact CG-CD1 3.91Å; E770-L862 HydrophobicContact CG-CD2 4.49Å; V828-L862 HydrophobicContact CG1-CD2 4.17Å; V828-L862 HydrophobicContact CG1-CG 3.96Å; N858-L862 PolarHBondContact O-N 3.49Å; L859-L862 WeakPolarHBondContact O-CB 3.47Å; L859-L862 PolarHBondContact O-N 3.42Å; L859-L862 VanDerWaalsContact O-N 3.13Å; T860-L862 VanDerWaalsContact C-N 3.35Å; L862-R864 PolarHBondContact O-N 3.36Å; L862-S865 PolarHBondContact O-N 2.89Å; L862-A866 WeakPolarHBondContact O-CB 3.13Å; L862-A866 PolarHBondContact O-N 2.99Å
863E70.8Confident65.4Low41 Ų4157.9 Ų57.919%0.19232%0.315CS..Hα-helixtrans-53.7-52.8172.6-75.4171.1-175.200112.3Y825 L832 L859 S865 A866 S867Y825-E863 HydrophobicContact CE2-CB 4.41Å; L832-E863 HydrophobicContact CD1-CB 4.47Å; L832-E863 HydrophobicContact CD1-CG 3.1Å; L832-E863 WeakPolarHBondContact CD1-OE1 3.33Å; L832-E863 HydrophobicContact CD2-CG 4.18Å; L832-E863 HydrophobicContact CG-CG 4.28Å; L859-E863 PolarHBondContact O-N 3.3Å; E863-S865 VanDerWaalsContact C-N 3.31Å; E863-S865 PolarHBondContact O-N 3.4Å; E863-A866 PolarHBondContact O-N 3.4Å; E863-S867 PolarHBondContact O-N 3.44Å; E863-S867 VanDerWaalsContact O-N 3.12Å; E863-S867 PolarHBondContact O-OG 2.73Å
864R68.9Low67.5Low173 Ų17355.5 Ų55.565%0.65330%0.297SS*.Hα-helixtrans-65.3-37.2179.3-71178.2179.6174.72.5111.7T860 I861 L862 S867 L868T860-R864 WeakPolarHBondContact O-CG 3.45Å; T860-R864 PolarHBondContact O-N 2.93Å; I861-R864 PolarHBondContact O-N 3.5Å; L862-R864 PolarHBondContact O-N 3.36Å; R864-S867 PolarHBondContact O-OG 2.86Å; R864-S867 VanDerWaalsContact O-OG 3.09Å; R864-L868 WeakPolarHBondContact O-CB 3.11Å; R864-L868 WeakPolarHBondContact O-CG 3.41Å; R864-L868 PolarHBondContact O-N 3.46Å
865S70Confident69.4Low55 Ų5554.8 Ų54.839%0.38530%0.298SS..Hα-helixtrans-66.2-42.9177-61.70000110.8I861 L862 E863 L868 S869I861-S865 VanDerWaalsContact O-CB 3.25Å; I861-S865 WeakPolarHBondContact O-CB 3.37Å; I861-S865 PolarHBondContact O-N 2.91Å; I861-S865 PolarHBondContact O-OG 2.97Å; L862-S865 PolarHBondContact O-N 2.89Å; E863-S865 VanDerWaalsContact C-N 3.31Å; E863-S865 PolarHBondContact O-N 3.4Å; S865-L868 PolarHBondContact O-N 2.92Å; S865-S869 WeakPolarHBondContact O-CA 3.37Å; S865-S869 WeakPolarHBondContact O-CB 3.39Å; S865-S869 PolarHBondContact O-N 3.35Å
866A73.5Confident71.4Confident0 Ų056.1 Ų56.10%030%0.3CS..Hα-helixtrans-62.9-47.5179.400000112.5T773 L824 V828 L862 E863 L868 S869T773-A866 HydrophobicContact CG2-CB 4.04Å; L824-A866 HydrophobicContact CB-CB 4.27Å; V828-A866 HydrophobicContact CB-CB 4.28Å; V828-A866 HydrophobicContact CG2-CB 3.63Å; L862-A866 WeakPolarHBondContact O-CB 3.13Å; L862-A866 PolarHBondContact O-N 2.99Å; E863-A866 PolarHBondContact O-N 3.4Å; A866-L868 PolarHBondContact O-N 3.13Å; A866-S869 PolarHBondContact O-OG 3.16Å
867S68.9Low73.4Confident36 Ų3654.2 Ų54.225%0.25229%0.287SS..Hα-helixtrans-65.2-35.6-179.758.80000113.3E863 R864E863-S867 PolarHBondContact O-N 3.44Å; E863-S867 VanDerWaalsContact O-N 3.12Å; E863-S867 PolarHBondContact O-OG 2.73Å; R864-S867 PolarHBondContact O-OG 2.86Å; R864-S867 VanDerWaalsContact O-OG 3.09Å
868L73.6Confident75.1Confident99 Ų9955.4 Ų55.452%0.51829%0.285SS..Hα-helixtrans-92.9-17.5-177-63.4173.3000114.2R864 S865 A866 T870 C871 I872R864-L868 WeakPolarHBondContact O-CB 3.11Å; R864-L868 WeakPolarHBondContact O-CG 3.41Å; R864-L868 PolarHBondContact O-N 3.46Å; S865-L868 PolarHBondContact O-N 2.92Å; A866-L868 PolarHBondContact O-N 3.13Å; L868-T870 VanDerWaalsContact C-N 3.28Å; L868-T870 PolarHBondContact O-N 2.69Å; L868-T870 VanDerWaalsContact O-N 3.15Å; L868-C871 PolarHBondContact O-N 2.79Å; L868-I872 HydrophobicContact CB-CD1 4.41Å; L868-I872 WeakPolarHBondContact O-CD1 3.44Å; L868-I872 VanDerWaalsContact O-CG1 3.3Å; L868-I872 WeakPolarHBondContact O-CG1 3.33Å; L868-I872 PolarHBondContact O-N 3.46Å
869S75.4Confident76.8Confident17 Ų1755.1 Ų55.112%0.11928%0.28CS..THydrogen-bonded Turntrans-54.9-36.7-169.659.20000114.8L824 S865 A866L824-S869 WeakPolarHBondContact CD1-OG 3.15Å; S865-S869 WeakPolarHBondContact O-CA 3.37Å; S865-S869 WeakPolarHBondContact O-CB 3.39Å; S865-S869 PolarHBondContact O-N 3.35Å; A866-S869 PolarHBondContact O-OG 3.16Å
870T78.1Confident78.1Confident0 Ų055.3 Ų55.30%028%0.283CS..THydrogen-bonded Turntrans-89.8-35.9-179.659.30000112.2C816 L819 G820 L824 L868 I872 L873C816-T870 WeakPolarHBondContact CB-O 3.43Å; C816-T870 CarbonylContact O-C 3.57Å; C816-T870 WeakPolarHBondContact O-CB 3.15Å; C816-T870 PolarHBondContact O-OG1 3.32Å; L819-T870 HydrophobicContact CB-CG2 4.28Å; L819-T870 HydrophobicContact CD2-CG2 3.93Å; L819-T870 HydrophobicContact CG-CG2 4.11Å; G820-T870 VanDerWaalsContact CA-OG1 3.31Å; G820-T870 WeakPolarHBondContact CA-OG1 3.13Å; G820-T870 PolarHBondContact N-OG1 2.86Å; L824-T870 HydrophobicContact CD1-CG2 3.85Å; L868-T870 VanDerWaalsContact C-N 3.28Å; L868-T870 PolarHBondContact O-N 2.69Å; L868-T870 VanDerWaalsContact O-N 3.15Å; T870-I872 PolarHBondContact O-N 2.59Å; T870-L873 VanDerWaalsContact O-CB 3.26Å; T870-L873 WeakPolarHBondContact O-CB 3.48Å; T870-L873 WeakPolarHBondContact O-CG 3.3Å; T870-L873 PolarHBondContact O-N 3.35Å
871C78Confident79.3Confident40 Ų4053.6 Ų53.627%0.2727%0.273SS..G310 helixtrans-59.2-32.4179.1-67.20000112.1C816 L868 L873 V874C816-C871 PolarHBondContact O-N 3.36Å; C816-C871 PolarHBondContact O-SG 3.3Å; L868-C871 PolarHBondContact O-N 2.79Å; C871-L873 PolarHBondContact O-N 2.63Å; C871-V874 WeakPolarHBondContact O-CB 3.13Å; C871-V874 VanDerWaalsContact O-CG2 3.31Å; C871-V874 WeakPolarHBondContact O-CG2 3.48Å; C871-V874 PolarHBondContact O-N 3.16Å; C871-V874 VanDerWaalsContact O-N 3.16Å
872I79.4Confident80.4Confident126 Ų12651.9 Ų51.965%0.64626%0.264SS*.G310 helixtrans-61.4-23.5175.7-65.2161.4000112L868 T870 P875L868-I872 HydrophobicContact CB-CD1 4.41Å; L868-I872 WeakPolarHBondContact O-CD1 3.44Å; L868-I872 VanDerWaalsContact O-CG1 3.3Å; L868-I872 WeakPolarHBondContact O-CG1 3.33Å; L868-I872 PolarHBondContact O-N 3.46Å; T870-I872 PolarHBondContact O-N 2.59Å; I872-P875 WeakPolarHBondContact O-CD 3.49Å
873L82.6Confident81.4Confident18 Ų1854.7 Ų54.79%0.09428%0.279CS..G310 helixtrans-79.4-19.7179.6-51.8-173.2000113.5P777 I780 M781 T870 C871 H876 L877P777-L873 HydrophobicContact CB-CD1 3.97Å; P777-L873 HydrophobicContact CB-CD2 4.41Å; P777-L873 HydrophobicContact CB-CG 4.46Å; P777-L873 WeakPolarHBondContact O-CD1 3.11Å; I780-L873 HydrophobicContact CB-CD1 3.87Å; I780-L873 HydrophobicContact CD1-CD1 4.39Å; I780-L873 HydrophobicContact CG2-CD1 3.89Å; M781-L873 HydrophobicContact CG-CD1 4.08Å; M781-L873 HydrophobicContact CG-CD2 3.6Å; M781-L873 HydrophobicContact CG-CG 4.42Å; M781-L873 HydrophobicContact SD-CD2 3.71Å; M781-L873 HydrophobicContact SD-CG 4.48Å; T870-L873 VanDerWaalsContact O-CB 3.26Å; T870-L873 WeakPolarHBondContact O-CB 3.48Å; T870-L873 WeakPolarHBondContact O-CG 3.3Å; T870-L873 PolarHBondContact O-N 3.35Å; C871-L873 PolarHBondContact O-N 2.63Å; L873-H876 PolarHBondContact O-N 2.9Å; L873-H876 VanDerWaalsContact O-N 3.12Å; L873-L877 HydrophobicContact CB-CD1 3.9Å; L873-L877 HydrophobicContact CB-CG 4.46Å; L873-L877 WeakPolarHBondContact O-CG 3.49Å; L873-L877 PolarHBondContact O-N 3.42Å
874V85Confident82.2Confident11 Ų1154.6 Ų54.67%0.06728%0.279CS..Hα-helixtrans-56-48.1-172173.90000112.8A813 C816 L817 C871 H876 L877 R878A813-V874 HydrophobicContact CB-CG1 4.22Å; A813-V874 WeakPolarHBondContact O-CG2 3.21Å; C816-V874 HydrophobicContact CB-CG2 3.84Å; L817-V874 HydrophobicContact CD2-CG1 4.36Å; L817-V874 HydrophobicContact CD2-CG2 3.85Å; L817-V874 HydrophobicContact CG-CG2 3.93Å; C871-V874 WeakPolarHBondContact O-CB 3.13Å; C871-V874 VanDerWaalsContact O-CG2 3.31Å; C871-V874 WeakPolarHBondContact O-CG2 3.48Å; C871-V874 PolarHBondContact O-N 3.16Å; C871-V874 VanDerWaalsContact O-N 3.16Å; V874-H876 VanDerWaalsContact C-N 3.34Å; V874-H876 PolarHBondContact O-N 3.34Å; V874-L877 PolarHBondContact O-N 3.38Å; V874-R878 WeakPolarHBondContact O-CB 3.26Å; V874-R878 VanDerWaalsContact O-CG 3.31Å; V874-R878 WeakPolarHBondContact O-CG 3.42Å; V874-R878 PolarHBondContact O-N 3.05Å
875P84.4Confident83.4Confident88 Ų8846.7 Ų46.757%0.57125%0.25SS*.Hα-helixtrans-62.1-41.1177.6-21.734.7000112.6I872 Q879I872-P875 WeakPolarHBondContact O-CD 3.49Å; P875-Q879 VanDerWaalsContact O-CB 3.25Å; P875-Q879 WeakPolarHBondContact O-CB 3.31Å; P875-Q879 PolarHBondContact O-N 2.9Å
876H87.3Confident84.4Confident84 Ų8447.4 Ų47.439%0.38925%0.249SC..Hα-helixtrans-65.3-46.9-179.9177.779.8000111.7M781 T784 L873 V874 Q879 S880M781-H876 WeakPolarHBondContact CE-CD2 3.46Å; M781-H876 VanDerWaalsContact CE-NE2 3.28Å; M781-H876 WeakPolarHBondContact CE-NE2 3.3Å; M781-H876 PolarHBondContact SD-CD2 3.48Å; T784-H876 PolarHBondContact OG1-NE2 2.79Å; L873-H876 PolarHBondContact O-N 2.9Å; L873-H876 VanDerWaalsContact O-N 3.12Å; V874-H876 VanDerWaalsContact C-N 3.34Å; V874-H876 PolarHBondContact O-N 3.34Å; H876-Q879 PolarHBondContact O-N 2.97Å; H876-S880 WeakPolarHBondContact O-CB 3.03Å; H876-S880 PolarHBondContact O-N 2.93Å
877L90.6Very high85.2Confident0 Ų050.7 Ų50.70%027%0.267CS..Hα-helixtrans-58.6-51.1177-74.4161.9000111.1I780 T784 C809 L812 A813 C816 L873 V874 Q879 S880 G881I780-L877 HydrophobicContact CG2-CD1 4.14Å; I780-L877 HydrophobicContact CG2-CD2 4.33Å; T784-L877 HydrophobicContact CG2-CD2 3.4Å; T784-L877 VanDerWaalsContact CG2-CD2 3.4Å; T784-L877 HydrophobicContact CG2-CG 4.35Å; C809-L877 WeakPolarHBondContact CB-O 3.39Å; L812-L877 HydrophobicContact CB-CD1 4.19Å; L812-L877 HydrophobicContact CB-CD2 4.06Å; L812-L877 HydrophobicContact CD1-CD2 4.26Å; A813-L877 HydrophobicContact CB-CB 3.9Å; A813-L877 HydrophobicContact CB-CD1 4.34Å; C816-L877 HydrophobicContact CB-CD1 4.43Å; L873-L877 HydrophobicContact CB-CD1 3.9Å; L873-L877 HydrophobicContact CB-CG 4.46Å; L873-L877 WeakPolarHBondContact O-CG 3.49Å; L873-L877 PolarHBondContact O-N 3.42Å; V874-L877 PolarHBondContact O-N 3.38Å; L877-Q879 VanDerWaalsContact C-N 3.34Å; L877-Q879 PolarHBondContact O-N 3.04Å; L877-S880 PolarHBondContact O-N 3.38Å; L877-G881 PolarHBondContact O-N 3.37Å; L877-G881 VanDerWaalsContact O-N 3.07Å
878R90.6Very high86.3Confident116 Ų11649.1 Ų49.144%0.43826%0.256SS..Hα-helixtrans-58.5-46.1177.8-71.2-177.9174.2-177.90.7111.5M810 A813 V874 S880 G881 I882M810-R878 HydrophobicContact CE-CB 4.1Å; M810-R878 HydrophobicContact CE-CG 4.26Å; M810-R878 HydrophobicContact SD-CB 4.29Å; M810-R878 HydrophobicContact SD-CG 3.8Å; A813-R878 HydrophobicContact CB-CG 3.87Å; V874-R878 WeakPolarHBondContact O-CB 3.26Å; V874-R878 VanDerWaalsContact O-CG 3.31Å; V874-R878 WeakPolarHBondContact O-CG 3.42Å; V874-R878 PolarHBondContact O-N 3.05Å; R878-S880 VanDerWaalsContact C-N 3.34Å; R878-S880 PolarHBondContact O-N 2.95Å; R878-G881 PolarHBondContact O-N 3.17Å; R878-I882 HydrophobicContact CB-CD1 4.49Å; R878-I882 WeakPolarHBondContact O-CB 3.38Å; R878-I882 WeakPolarHBondContact O-CD1 3.43Å; R878-I882 WeakPolarHBondContact O-CG1 3.26Å; R878-I882 PolarHBondContact O-N 3.46Å
879Q91.6Very high87.3Confident98 Ų9845.5 Ų45.546%0.45824%0.237SC..Hα-helixtrans-64.6-40-179.5-166.96430.300111.8P875 H876 L877 I882 N883P875-Q879 VanDerWaalsContact O-CB 3.25Å; P875-Q879 WeakPolarHBondContact O-CB 3.31Å; P875-Q879 PolarHBondContact O-N 2.9Å; H876-Q879 PolarHBondContact O-N 2.97Å; L877-Q879 VanDerWaalsContact C-N 3.34Å; L877-Q879 PolarHBondContact O-N 3.04Å; Q879-I882 PolarHBondContact O-N 3.25Å; Q879-N883 PolarHBondContact NE2-OD1 2.72Å; Q879-N883 VanDerWaalsContact O-CB 3.3Å; Q879-N883 WeakPolarHBondContact O-CB 3.46Å; Q879-N883 VanDerWaalsContact O-CG 3.23Å; Q879-N883 PolarHBondContact O-N 3.42Å; Q879-N883 PolarHBondContact O-ND2 3.18Å
880S89.1Confident88.3Confident19 Ų1950.5 Ų50.513%0.13325%0.253CS..Hα-helixtrans-60.2-47.8176.7-163.20000111.3Y805 H876 L877 R878 N884Y805-S880 PolarHBondContact OH-OG 3Å; H876-S880 WeakPolarHBondContact O-CB 3.03Å; H876-S880 PolarHBondContact O-N 2.93Å; L877-S880 PolarHBondContact O-N 3.38Å; R878-S880 VanDerWaalsContact C-N 3.34Å; R878-S880 PolarHBondContact O-N 2.95Å; S880-N884 PolarHBondContact O-N 3.22Å; S880-N884 PolarHBondContact O-ND2 2.86Å
881G90.7Very high89Confident0 Ų055.3 Ų55.30%027%0.271CS..Hα-helixtrans-62.7-48.5175.900000112.7L877 R878 L885L877-G881 PolarHBondContact O-N 3.37Å; L877-G881 VanDerWaalsContact O-N 3.07Å; R878-G881 PolarHBondContact O-N 3.17Å; G881-L885 PolarHBondContact O-N 3.49Å; G881-L885 VanDerWaalsContact O-N 3.15Å
882I91.2Very high89.8Confident57 Ų5754.4 Ų54.429%0.29226%0.263SS..Hα-helixtrans-61.6-49.9-177.3-71.7164.2000111.7Y806 M810 R878 Q879 N884 L885 L886Y806-I882 HydrophobicContact CE2-CG1 3.95Å; M810-I882 HydrophobicContact CE-CD1 3.85Å; M810-I882 HydrophobicContact CE-CG1 3.54Å; R878-I882 HydrophobicContact CB-CD1 4.49Å; R878-I882 WeakPolarHBondContact O-CB 3.38Å; R878-I882 WeakPolarHBondContact O-CD1 3.43Å; R878-I882 WeakPolarHBondContact O-CG1 3.26Å; R878-I882 PolarHBondContact O-N 3.46Å; Q879-I882 PolarHBondContact O-N 3.25Å; I882-N884 VanDerWaalsContact C-N 3.32Å; I882-N884 PolarHBondContact O-N 3.48Å; I882-L885 PolarHBondContact O-N 3.15Å; I882-L886 HydrophobicContact CG2-CD1 3.56Å; I882-L886 HydrophobicContact CG2-CG 4.07Å; I882-L886 WeakPolarHBondContact O-CB 3.49Å; I882-L886 VanDerWaalsContact O-CG 3.29Å; I882-L886 WeakPolarHBondContact O-CG 3.45Å; I882-L886 PolarHBondContact O-N 2.82Å
883N90.4Very high90.5Very high70 Ų7053.5 Ų53.537%0.37425%0.251SS..Hα-helixtrans-57-48.6-176-78.8-15.6000111.2Q879 L886 D887Q879-N883 PolarHBondContact NE2-OD1 2.72Å; Q879-N883 VanDerWaalsContact O-CB 3.3Å; Q879-N883 WeakPolarHBondContact O-CB 3.46Å; Q879-N883 VanDerWaalsContact O-CG 3.23Å; Q879-N883 PolarHBondContact O-N 3.42Å; Q879-N883 PolarHBondContact O-ND2 3.18Å; N883-L886 PolarHBondContact O-N 3.03Å; N883-D887 VanDerWaalsContact O-CG 3.3Å; N883-D887 PolarHBondContact O-N 3.47Å
884N87.6Confident91.2Very high39 Ų3957.9 Ų57.921%0.20927%0.271CS..Hα-helixtrans-63.7-48.1-178.9-79.1-65.7000112.2F795 Y805 S880 I882 L886 D887 H888F795-N884 HydrophobicContact CE1-CB 3.85Å; Y805-N884 HydrophobicContact CD1-CB 4.44Å; S880-N884 PolarHBondContact O-N 3.22Å; S880-N884 PolarHBondContact O-ND2 2.86Å; I882-N884 VanDerWaalsContact C-N 3.32Å; I882-N884 PolarHBondContact O-N 3.48Å; N884-L886 VanDerWaalsContact C-N 3.34Å; N884-L886 PolarHBondContact O-N 3.46Å; N884-D887 PolarHBondContact O-N 3.17Å; N884-H888 PolarHBondContact O-CD2 3.49Å; N884-H888 PolarHBondContact O-N 3.32Å
885L93Very high91.6Very high8 Ų859.8 Ų59.84%0.04228%0.283CS..Hα-helixtrans-61.1-43.4177.8179.860.4000111.6L799 V803 Y806 G881 I882 D887 H888 L889 L936 L939L799-L885 HydrophobicContact CD1-CD1 4Å; V803-L885 HydrophobicContact CG2-CD1 3.77Å; Y806-L885 HydrophobicContact CD1-CD2 4.16Å; Y806-L885 HydrophobicContact CD2-CB 4.03Å; Y806-L885 HydrophobicContact CD2-CD2 3.58Å; Y806-L885 HydrophobicContact CD2-CG 4.46Å; Y806-L885 HydrophobicContact CE2-CD2 3.98Å; Y806-L885 HydrophobicContact CG-CB 4.39Å; Y806-L885 HydrophobicContact CG-CD2 3.7Å; G881-L885 PolarHBondContact O-N 3.49Å; G881-L885 VanDerWaalsContact O-N 3.15Å; I882-L885 PolarHBondContact O-N 3.15Å; L885-D887 VanDerWaalsContact C-N 3.33Å; L885-D887 PolarHBondContact O-N 3.07Å; L885-H888 PolarHBondContact O-N 3.3Å; L885-L889 HydrophobicContact CD1-CD1 4.38Å; L885-L889 HydrophobicContact CD1-CG 4.35Å; L885-L889 HydrophobicContact CG-CD1 4.1Å; L885-L889 HydrophobicContact CG-CG 4.48Å; L885-L889 WeakPolarHBondContact O-CG 3.29Å; L885-L889 PolarHBondContact O-N 3.07Å; L885-L936 HydrophobicContact CD1-CD2 4.34Å; L885-L939 HydrophobicContact CD2-CD1 4.37Å; L885-L939 HydrophobicContact CD2-CD2 4.22Å
886L91.7Very high92.2Very high69 Ų6955.6 Ų55.636%0.36126%0.256SS..Hα-helixtrans-62.8-38.2178.1-74-179.9000112.4I882 N883 N884 H888 L889 R890I882-L886 HydrophobicContact CG2-CD1 3.56Å; I882-L886 HydrophobicContact CG2-CG 4.07Å; I882-L886 WeakPolarHBondContact O-CB 3.49Å; I882-L886 VanDerWaalsContact O-CG 3.29Å; I882-L886 WeakPolarHBondContact O-CG 3.45Å; I882-L886 PolarHBondContact O-N 2.82Å; N883-L886 PolarHBondContact O-N 3.03Å; N884-L886 VanDerWaalsContact C-N 3.34Å; N884-L886 PolarHBondContact O-N 3.46Å; L886-H888 VanDerWaalsContact C-N 3.34Å; L886-H888 PolarHBondContact O-N 2.99Å; L886-L889 PolarHBondContact O-N 3.34Å; L886-R890 WeakPolarHBondContact O-CB 3.27Å; L886-R890 WeakPolarHBondContact O-CD 3.45Å; L886-R890 WeakPolarHBondContact O-CG 3.24Å; L886-R890 PolarHBondContact O-N 2.95Å
887D90.2Very high92.6Very high70 Ų7053.7 Ų53.737%0.37425%0.248SC..Hα-helixtrans-64.8-37.9177.6-75.1-16.7000112.2N883 N884 L885 R890 R891N883-D887 VanDerWaalsContact O-CG 3.3Å; N883-D887 PolarHBondContact O-N 3.47Å; N884-D887 PolarHBondContact O-N 3.17Å; L885-D887 VanDerWaalsContact C-N 3.33Å; L885-D887 PolarHBondContact O-N 3.07Å; D887-R890 IonicContact OD1-CZ 2.76Å; D887-R890 IonicContact OD1-NH1 2.69Å; D887-R890 PolarHBondContact OD1-NH1 3.4Å; D887-R891 WeakPolarHBondContact O-CG 3.37Å; D887-R891 PolarHBondContact O-N 3.02Å
888H92.9Very high92.8Very high3 Ų358.5 Ų58.51%0.01427%0.271CS..Hα-helixtrans-64-52169.5-81.5-100.4000112.4F795 L799 N884 L885 L886 R890 R891 E892F795-H888 PolarHBondContact O-CE1 2.75Å; F795-H888 PolarHBondContact O-NE2 2.76Å; L799-H888 HydrophobicContact CD1-CB 3.64Å; N884-H888 PolarHBondContact O-CD2 3.49Å; N884-H888 PolarHBondContact O-N 3.32Å; L885-H888 PolarHBondContact O-N 3.3Å; L886-H888 VanDerWaalsContact C-N 3.34Å; L886-H888 PolarHBondContact O-N 2.99Å; H888-R890 PolarHBondContact O-N 3.01Å; H888-R891 PolarHBondContact CD2-NH2 3.49Å; H888-R891 PolarHBondContact CE1-NH2 3.26Å; H888-R891 PolarHBondContact ND1-NH2 2.95Å; H888-R891 PolarHBondContact NE2-NH2 2.96Å; H888-R891 WeakPolarHBondContact O-CA 3.14Å; H888-R891 WeakPolarHBondContact O-CB 3.26Å; H888-R891 PolarHBondContact O-N 2.96Å; H888-E892 WeakPolarHBondContact O-CG 3.4Å; H888-E892 PolarHBondContact O-N 2.91Å
889L94.5Very high92.9Very high23 Ų2353.3 Ų53.312%0.1225%0.252CS..Hα-helixtrans-58.3-33.9-178.5-68.9176000111.9L885 L886 R893 L936 A947L885-L889 HydrophobicContact CD1-CD1 4.38Å; L885-L889 HydrophobicContact CD1-CG 4.35Å; L885-L889 HydrophobicContact CG-CD1 4.1Å; L885-L889 HydrophobicContact CG-CG 4.48Å; L885-L889 WeakPolarHBondContact O-CG 3.29Å; L885-L889 PolarHBondContact O-N 3.07Å; L886-L889 PolarHBondContact O-N 3.34Å; L889-R893 VanDerWaalsContact O-CB 3.24Å; L889-R893 WeakPolarHBondContact O-CB 3.35Å; L889-R893 PolarHBondContact O-N 3.21Å; L889-L936 HydrophobicContact CD2-CD1 4.27Å; L889-L936 HydrophobicContact CD2-CD2 4.09Å; L889-A947 HydrophobicContact CD1-CB 3.97Å; L889-A947 HydrophobicContact CD2-CB 4.48Å
890R94.8Very high92.9Very high122 Ų12249 Ų4946%0.4623%0.232SC..Hα-helixtrans-64.3-41.3172.9-73.9165.4-175.1158.2-1.1112.7L886 D887 H888 R893 Q894L886-R890 WeakPolarHBondContact O-CB 3.27Å; L886-R890 WeakPolarHBondContact O-CD 3.45Å; L886-R890 WeakPolarHBondContact O-CG 3.24Å; L886-R890 PolarHBondContact O-N 2.95Å; D887-R890 IonicContact OD1-CZ 2.76Å; D887-R890 IonicContact OD1-NH1 2.69Å; D887-R890 PolarHBondContact OD1-NH1 3.4Å; H888-R890 PolarHBondContact O-N 3.01Å; R890-R893 PolarHBondContact O-N 2.77Å; R890-Q894 WeakPolarHBondContact O-CG 3.46Å; R890-Q894 PolarHBondContact O-N 3.14Å; R890-Q894 VanDerWaalsContact O-N 3.15Å
891R93.2Very high93Very high100 Ų10054.9 Ų54.938%0.37726%0.258SS..Hα-helixtrans-68.5-47.2176.4-71.5-175.2-67.9-1451.2111.5D887 H888 R893 Q894 V895D887-R891 WeakPolarHBondContact O-CG 3.37Å; D887-R891 PolarHBondContact O-N 3.02Å; H888-R891 PolarHBondContact CD2-NH2 3.49Å; H888-R891 PolarHBondContact CE1-NH2 3.26Å; H888-R891 PolarHBondContact ND1-NH2 2.95Å; H888-R891 PolarHBondContact NE2-NH2 2.96Å; H888-R891 WeakPolarHBondContact O-CA 3.14Å; H888-R891 WeakPolarHBondContact O-CB 3.26Å; H888-R891 PolarHBondContact O-N 2.96Å; R891-R893 PolarHBondContact O-N 3.41Å; R891-Q894 WeakPolarHBondContact O-CB 3.47Å; R891-Q894 PolarHBondContact O-N 3.27Å; R891-V895 PolarHBondContact O-N 2.97Å; R891-V895 VanDerWaalsContact O-N 3.07Å
892E94.5Very high92.9Very high22 Ų2261.4 Ų61.410%0.10328%0.282CS..Hα-helixtrans-58.7-38174.9-61-56134.600110.8L799 H888 Q894 V895 L896 H928 I932 M951L799-E892 HydrophobicContact CD2-CG 4.2Å; H888-E892 WeakPolarHBondContact O-CG 3.4Å; H888-E892 PolarHBondContact O-N 2.91Å; E892-Q894 VanDerWaalsContact C-N 3.33Å; E892-Q894 PolarHBondContact O-N 2.67Å; E892-V895 PolarHBondContact O-N 3.42Å; E892-L896 PolarHBondContact O-N 2.66Å; E892-H928 IonicContact OE2-CE1 2.72Å; E892-H928 PolarHBondContact OE2-CE1 3.43Å; E892-H928 IonicContact OE2-NE2 2.83Å; E892-H928 PolarHBondContact OE2-NE2 3.32Å; E892-I932 HydrophobicContact CB-CD1 3.96Å; E892-I932 HydrophobicContact CB-CG1 4.16Å; E892-I932 HydrophobicContact CG-CG1 4.23Å; E892-M951 HydrophobicContact CB-CE 3.54Å
893R95.5Very high92.7Very high106 Ų10659 Ų5940%0.427%0.27SS..Hα-helixtrans-61.8-41.2175.2-175.3-176.565.2169.41.1111.5L889 R890 R891 V895 L896 L897 M951 C954L889-R893 VanDerWaalsContact O-CB 3.24Å; L889-R893 WeakPolarHBondContact O-CB 3.35Å; L889-R893 PolarHBondContact O-N 3.21Å; R890-R893 PolarHBondContact O-N 2.77Å; R891-R893 PolarHBondContact O-N 3.41Å; R893-V895 VanDerWaalsContact C-N 3.31Å; R893-V895 PolarHBondContact O-N 2.92Å; R893-L896 PolarHBondContact O-N 2.84Å; R893-L897 HydrophobicContact CG-CD1 4.39Å; R893-L897 VanDerWaalsContact O-CG 3.27Å; R893-L897 WeakPolarHBondContact O-CG 3.4Å; R893-L897 PolarHBondContact O-N 3.05Å; R893-M951 HydrophobicContact CB-CE 4.2Å; R893-M951 HydrophobicContact CB-SD 3.97Å; R893-C954 HydrophobicContact CG-CB 4.25Å; R893-C954 VanDerWaalsContact CG-SG 3.55Å
894Q95.7Very high92.3Very high110 Ų11062.9 Ų62.951%0.51429%0.286SS..Hα-helixtrans-64.2-36.8176-71.1172-14.100112R890 R891 E892 L897 Q898R890-Q894 WeakPolarHBondContact O-CG 3.46Å; R890-Q894 PolarHBondContact O-N 3.14Å; R890-Q894 VanDerWaalsContact O-N 3.15Å; R891-Q894 WeakPolarHBondContact O-CB 3.47Å; R891-Q894 PolarHBondContact O-N 3.27Å; E892-Q894 VanDerWaalsContact C-N 3.33Å; E892-Q894 PolarHBondContact O-N 2.67Å; Q894-L897 PolarHBondContact O-N 3.42Å; Q894-Q898 VanDerWaalsContact O-CG 3.29Å; Q894-Q898 WeakPolarHBondContact O-CG 3.42Å; Q894-Q898 PolarHBondContact O-N 3.12Å
895V94.7Very high91.9Very high52 Ų5262 Ų6232%0.31529%0.286SS..Hα-helixtrans-65.3-44.3175.5178.60000110.9R891 E892 R893 L897 Q898 C899 H928R891-V895 PolarHBondContact O-N 2.97Å; R891-V895 VanDerWaalsContact O-N 3.07Å; E892-V895 PolarHBondContact O-N 3.42Å; R893-V895 VanDerWaalsContact C-N 3.31Å; R893-V895 PolarHBondContact O-N 2.92Å; V895-L897 VanDerWaalsContact C-N 3.33Å; V895-L897 PolarHBondContact O-N 3.28Å; V895-Q898 WeakPolarHBondContact O-CB 3.48Å; V895-Q898 PolarHBondContact O-N 3.08Å; V895-C899 PolarHBondContact O-N 3.28Å; V895-C899 PolarHBondContact O-SG 3.47Å; V895-C899 VanDerWaalsContact O-SG 3.34Å; V895-H928 WeakPolarHBondContact CB-NE2 3.35Å; V895-H928 WeakPolarHBondContact CG1-NE2 3.35Å
896L96.9Very high91.4Very high0 Ų061.8 Ų61.80%029%0.285CS..Hα-helixtrans-58.1-45.1173.8-70.9174.3000112.2E892 R893 Q898 C899 I900 H928 L929 I932 M951 V955E892-L896 PolarHBondContact O-N 2.66Å; R893-L896 PolarHBondContact O-N 2.84Å; L896-Q898 VanDerWaalsContact C-N 3.33Å; L896-Q898 PolarHBondContact O-N 2.99Å; L896-C899 WeakPolarHBondContact O-CB 3.29Å; L896-C899 PolarHBondContact O-N 3.41Å; L896-I900 WeakPolarHBondContact O-CG1 3.19Å; L896-I900 PolarHBondContact O-N 3.05Å; L896-I900 VanDerWaalsContact O-N 3.1Å; L896-H928 HydrophobicContact CD2-CB 4.19Å; L896-L929 HydrophobicContact CD1-CD2 3.69Å; L896-L929 HydrophobicContact CD2-CD2 3.87Å; L896-L929 HydrophobicContact CD2-CG 3.82Å; L896-L929 HydrophobicContact CG-CD2 4.47Å; L896-I932 HydrophobicContact CD1-CD1 4.05Å; L896-I932 HydrophobicContact CD2-CD1 4.44Å; L896-I932 HydrophobicContact CG-CD1 4.27Å; L896-M951 HydrophobicContact CD1-CB 4.26Å; L896-M951 HydrophobicContact CD1-CE 3.44Å; L896-M951 VanDerWaalsContact CD1-CE 3.44Å; L896-M951 HydrophobicContact CG-CE 4.37Å; L896-V955 HydrophobicContact CB-CG2 4.15Å; L896-V955 HydrophobicContact CD1-CG2 3.93Å; L896-V955 HydrophobicContact CD2-CG2 4.18Å; L896-V955 HydrophobicContact CG-CG2 4.33Å
897L95Very high90.7Very high44 Ų4464.6 Ų64.623%0.2330%0.295CS..Hα-helixtrans-60.4-42.9176.6-69.9173.9000111.5R893 Q894 V895 C899 I900 E901 E958R893-L897 HydrophobicContact CG-CD1 4.39Å; R893-L897 VanDerWaalsContact O-CG 3.27Å; R893-L897 WeakPolarHBondContact O-CG 3.4Å; R893-L897 PolarHBondContact O-N 3.05Å; Q894-L897 PolarHBondContact O-N 3.42Å; V895-L897 VanDerWaalsContact C-N 3.33Å; V895-L897 PolarHBondContact O-N 3.28Å; L897-C899 VanDerWaalsContact C-N 3.33Å; L897-C899 PolarHBondContact O-N 2.89Å; L897-I900 PolarHBondContact O-N 3.13Å; L897-I900 VanDerWaalsContact O-N 3.17Å; L897-E901 WeakPolarHBondContact O-CG 3.47Å; L897-E901 PolarHBondContact O-N 3.15Å; L897-E958 HydrophobicContact CD2-CB 4.43Å; L897-E958 HydrophobicContact CD2-CG 3.38Å
898Q94.2Very high89.9Confident100 Ų10067 Ų6747%0.46731%0.308SS..Hα-helixtrans-63.5-36175.4-72.8172.414.300112.7Q894 V895 L896 I900 R902Q894-Q898 VanDerWaalsContact O-CG 3.29Å; Q894-Q898 WeakPolarHBondContact O-CG 3.42Å; Q894-Q898 PolarHBondContact O-N 3.12Å; V895-Q898 WeakPolarHBondContact O-CB 3.48Å; V895-Q898 PolarHBondContact O-N 3.08Å; L896-Q898 VanDerWaalsContact C-N 3.33Å; L896-Q898 PolarHBondContact O-N 2.99Å; Q898-I900 VanDerWaalsContact C-N 3.33Å; Q898-R902 WeakPolarHBondContact O-CG 3.46Å; Q898-R902 PolarHBondContact O-N 3.23Å
899C93.1Very high89.6Confident7 Ų766.9 Ų66.95%0.04731%0.308CS..Hα-helixtrans-61.5-43.3173.1-66.50000111V895 L896 L897 R902 C925V895-C899 PolarHBondContact O-N 3.28Å; V895-C899 PolarHBondContact O-SG 3.47Å; V895-C899 VanDerWaalsContact O-SG 3.34Å; L896-C899 WeakPolarHBondContact O-CB 3.29Å; L896-C899 PolarHBondContact O-N 3.41Å; L897-C899 VanDerWaalsContact C-N 3.33Å; L897-C899 PolarHBondContact O-N 2.89Å; C899-R902 WeakPolarHBondContact O-CB 3.49Å; C899-R902 PolarHBondContact O-N 3.03Å; C899-C925 HydrophobicContact CB-CB 4.04Å
900I92.3Very high88.9Confident8 Ų868.3 Ų68.34%0.04132%0.32CS..Hα-helixtrans-71.2-38.9179.2-62.1170.2000111.5L896 L897 Q898 R902 I903 V955 E958 L959L896-I900 WeakPolarHBondContact O-CG1 3.19Å; L896-I900 PolarHBondContact O-N 3.05Å; L896-I900 VanDerWaalsContact O-N 3.1Å; L897-I900 PolarHBondContact O-N 3.13Å; L897-I900 VanDerWaalsContact O-N 3.17Å; Q898-I900 VanDerWaalsContact C-N 3.33Å; I900-R902 PolarHBondContact O-N 3.21Å; I900-I903 HydrophobicContact CB-CD1 4.44Å; I900-I903 HydrophobicContact CG2-CD1 4.13Å; I900-I903 WeakPolarHBondContact O-CB 3.44Å; I900-I903 VanDerWaalsContact O-CG1 3.27Å; I900-I903 WeakPolarHBondContact O-CG1 3.23Å; I900-I903 PolarHBondContact O-N 3.07Å; I900-V955 HydrophobicContact CD1-CB 4.09Å; I900-V955 HydrophobicContact CD1-CG1 3.92Å; I900-V955 HydrophobicContact CD1-CG2 4.14Å; I900-E958 HydrophobicContact CD1-CB 3.99Å; I900-E958 HydrophobicContact CG2-CB 4.02Å; I900-L959 HydrophobicContact CG2-CD2 4.33Å
901E90.8Very high88.5Confident143 Ų14364.8 Ų64.867%0.66831%0.314SS*.Hα-helixtrans-58.8-31.6176.5-77175.8177.800112.4L897 I903 Q904L897-E901 WeakPolarHBondContact O-CG 3.47Å; L897-E901 PolarHBondContact O-N 3.15Å; E901-I903 PolarHBondContact O-N 3.37Å; E901-Q904 PolarHBondContact O-N 2.72Å; E901-Q904 VanDerWaalsContact O-N 3.1Å
902R88.1Confident88.1Confident137 Ų13765 Ų6552%0.51733%0.33SS..THydrogen-bonded Turntrans-64.1-18.3175.4-70.1169.9-171-179.54.4113.9Q898 C899 I900 Q904 A921 D924Q898-R902 WeakPolarHBondContact O-CG 3.46Å; Q898-R902 PolarHBondContact O-N 3.23Å; C899-R902 WeakPolarHBondContact O-CB 3.49Å; C899-R902 PolarHBondContact O-N 3.03Å; I900-R902 PolarHBondContact O-N 3.21Å; R902-Q904 PolarHBondContact O-N 3.1Å; R902-A921 HydrophobicContact CB-CB 4.11Å; R902-D924 IonicContact NH1-OD2 3.35Å; R902-D924 PolarHBondContact NH1-OD2 3.43Å
903I87.7Confident87.6Confident5 Ų569.1 Ų69.13%0.02635%0.352CS..THydrogen-bonded Turntrans-66.5-22.5175.2-58.9171.3000110.9I900 E901 G905 F906 A921 I922 L959I900-I903 HydrophobicContact CB-CD1 4.44Å; I900-I903 HydrophobicContact CG2-CD1 4.13Å; I900-I903 WeakPolarHBondContact O-CB 3.44Å; I900-I903 VanDerWaalsContact O-CG1 3.27Å; I900-I903 WeakPolarHBondContact O-CG1 3.23Å; I900-I903 PolarHBondContact O-N 3.07Å; E901-I903 PolarHBondContact O-N 3.37Å; I903-G905 VanDerWaalsContact C-N 3.25Å; I903-G905 PolarHBondContact O-N 2.85Å; I903-F906 HydrophobicContact CD1-CE1 4.5Å; I903-F906 HydrophobicContact CD1-CZ 4.05Å; I903-F906 HydrophobicContact CG2-CB 4.42Å; I903-F906 HydrophobicContact CG2-CD1 3.45Å; I903-F906 VanDerWaalsContact CG2-CD1 3.45Å; I903-F906 HydrophobicContact CG2-CD2 3.78Å; I903-F906 HydrophobicContact CG2-CE1 3.51Å; I903-F906 HydrophobicContact CG2-CE2 3.82Å; I903-F906 HydrophobicContact CG2-CG 3.6Å; I903-F906 HydrophobicContact CG2-CZ 3.69Å; I903-F906 PolarHBondContact O-N 3.29Å; I903-A921 HydrophobicContact CG1-CB 3.76Å; I903-I922 HydrophobicContact CD1-CD1 3.63Å; I903-I922 HydrophobicContact CD1-CG1 4.15Å; I903-L959 HydrophobicContact CD1-CD2 3.95Å
904Q82.2Confident87.1Confident153 Ų15364.6 Ų64.672%0.71534%0.339SS*.G310 helixtrans49.844.7178.7-63-177.3-2.300112.9E901 R902 F906 H907E901-Q904 PolarHBondContact O-N 2.72Å; E901-Q904 VanDerWaalsContact O-N 3.1Å; R902-Q904 PolarHBondContact O-N 3.1Å; Q904-F906 PolarHBondContact O-N 3.21Å; Q904-H907 PolarHBondContact O-CD2 3.17Å
905G79.5Confident86.7Confident20 Ų2061.5 Ų61.521%0.20633%0.325CS..G310 helixtrans77.914.1172.900000115.6I903 H907 L966I903-G905 VanDerWaalsContact C-N 3.25Å; I903-G905 PolarHBondContact O-N 2.85Å; G905-H907 PolarHBondContact O-N 3.45Å; G905-H907 VanDerWaalsContact O-N 3.17Å; G905-L966 WeakPolarHBondContact O-CD2 3.43Å
906F82.8Confident86.4Confident4 Ų466.8 Ų66.82%0.01834%0.34CS..G310 helixtrans58.922.2-175.8-65.8-76.7000113.8I903 Q904 N908 I909 L959 T962 I963 L966 I977 L980 L981I903-F906 HydrophobicContact CD1-CE1 4.5Å; I903-F906 HydrophobicContact CD1-CZ 4.05Å; I903-F906 HydrophobicContact CG2-CB 4.42Å; I903-F906 HydrophobicContact CG2-CD1 3.45Å; I903-F906 VanDerWaalsContact CG2-CD1 3.45Å; I903-F906 HydrophobicContact CG2-CD2 3.78Å; I903-F906 HydrophobicContact CG2-CE1 3.51Å; I903-F906 HydrophobicContact CG2-CE2 3.82Å; I903-F906 HydrophobicContact CG2-CG 3.6Å; I903-F906 HydrophobicContact CG2-CZ 3.69Å; I903-F906 PolarHBondContact O-N 3.29Å; Q904-F906 PolarHBondContact O-N 3.21Å; F906-N908 PolarHBondContact O-N 3.43Å; F906-I909 HydrophobicContact CD1-CD1 4.02Å; F906-L959 HydrophobicContact CE2-CD2 4.29Å; F906-L959 HydrophobicContact CZ-CD2 4.1Å; F906-T962 HydrophobicContact CD2-CG2 3.72Å; F906-T962 HydrophobicContact CE2-CG2 3.98Å; F906-I963 HydrophobicContact CD2-CG1 4.29Å; F906-I963 HydrophobicContact CE2-CG1 4.04Å; F906-L966 HydrophobicContact CB-CD1 4.26Å; F906-L966 HydrophobicContact CB-CD2 4.47Å; F906-I977 HydrophobicContact CB-CD1 4.15Å; F906-I977 HydrophobicContact CB-CG1 4.34Å; F906-I977 HydrophobicContact CD1-CG1 4.05Å; F906-I977 HydrophobicContact CG-CD1 4.46Å; F906-I977 HydrophobicContact CG-CG1 4.26Å; F906-L980 HydrophobicContact CE1-CD1 4.25Å; F906-L981 HydrophobicContact CZ-CD2 4.34Å
907H77Confident86.1Confident127 Ų12771.9 Ų71.959%0.58836%0.363SS*.THydrogen-bonded Turntrans-67.1133.1178.7-64-46.3000111.4Q904 G905 I909Q904-H907 PolarHBondContact O-CD2 3.17Å; G905-H907 PolarHBondContact O-N 3.45Å; G905-H907 VanDerWaalsContact O-N 3.17Å; H907-I909 VanDerWaalsContact C-N 3.27Å; H907-I909 PolarHBondContact O-N 3.2Å
908N72.6Confident85.9Confident121 Ų12169.9 Ų69.965%0.64735%0.353SS*.THydrogen-bonded Turntrans54.534.9178.2-61.3-30.2000114.6F906 S910 S911F906-N908 PolarHBondContact O-N 3.43Å; N908-S910 PolarHBondContact O-N 3.43Å; N908-S911 VanDerWaalsContact O-CB 3.31Å; N908-S911 WeakPolarHBondContact O-CB 2.95Å; N908-S911 PolarHBondContact O-N 3.07Å; N908-S911 PolarHBondContact O-OG 3.18Å
909I85.5Confident85.8Confident0 Ų066.8 Ų66.80%034%0.341CS..THydrogen-bonded Turntrans-61.1-26.1178.9-170.2173.6000112.9F906 H907 S911 N915 C918 D973 H976 I977 L980F906-I909 HydrophobicContact CD1-CD1 4.02Å; H907-I909 VanDerWaalsContact C-N 3.27Å; H907-I909 PolarHBondContact O-N 3.2Å; I909-S911 PolarHBondContact O-N 3.1Å; I909-N915 VanDerWaalsContact O-CA 3.31Å; I909-N915 WeakPolarHBondContact O-CA 3.28Å; I909-N915 WeakPolarHBondContact O-CB 3.38Å; I909-N915 PolarHBondContact O-N 3.14Å; I909-C918 HydrophobicContact CD1-CB 3.94Å; I909-C918 HydrophobicContact CG1-CB 4.16Å; I909-D973 HydrophobicContact CG2-CB 3.55Å; I909-D973 WeakPolarHBondContact CG2-OD1 3.31Å; I909-H976 HydrophobicContact CD1-CB 3.76Å; I909-H976 HydrophobicContact CG1-CB 3.9Å; I909-H976 HydrophobicContact CG2-CB 4.35Å; I909-I977 HydrophobicContact CD1-CG1 4.06Å; I909-I977 HydrophobicContact CG2-CD1 4.45Å; I909-I977 HydrophobicContact CG2-CG1 4.17Å; I909-L980 HydrophobicContact CD1-CD1 3.59Å
910S81.6Confident85.8Confident54 Ų5469.3 Ų69.338%0.37836%0.356SS..THydrogen-bonded Turntrans-66.1-20.6171.549.90000114.3N908 S972 D973N908-S910 PolarHBondContact O-N 3.43Å; S910-S972 WeakPolarHBondContact CB-OG 3.32Å; S910-D973 WeakPolarHBondContact CA-OD1 3.17Å; S910-D973 WeakPolarHBondContact CB-OD1 3.38Å; S910-D973 PolarHBondContact N-OD1 3.04Å; S910-D973 PolarHBondContact OG-OD1 3.13Å
911S86.1Confident85.8Confident48 Ų4869.1 Ų69.134%0.33636%0.356SS..SBendtrans-69.6142.9172.874.10000110.4N908 I909 I913 G914 N915N908-S911 VanDerWaalsContact O-CB 3.31Å; N908-S911 WeakPolarHBondContact O-CB 2.95Å; N908-S911 PolarHBondContact O-N 3.07Å; N908-S911 PolarHBondContact O-OG 3.18Å; I909-S911 PolarHBondContact O-N 3.1Å; S911-I913 PolarHBondContact O-N 3.14Å; S911-G914 PolarHBondContact O-N 3.26Å; S911-G914 WeakPolarHBondContact OG-CA 2.99Å; S911-G914 PolarHBondContact OG-N 3.33Å; S911-N915 WeakPolarHBondContact O-CB 3.28Å; S911-N915 PolarHBondContact O-N 2.86Å
912S83.8Confident86Confident103 Ų10362.4 Ų62.472%0.7232%0.324SS*.Hα-helixtrans-57.7-34.9-179.457.30000113.1R916S912-R916 WeakPolarHBondContact O-CB 3.47Å; S912-R916 PolarHBondContact O-N 3.3Å
913I85.2Confident86.3Confident110 Ų11060.6 Ų60.656%0.56432%0.322SS*.Hα-helixtrans-72.5-50.7177.6-66.5160.7000110S911 R916 H917S911-I913 PolarHBondContact O-N 3.14Å; I913-R916 PolarHBondContact O-N 3.42Å; I913-H917 VanDerWaalsContact CG2-CD2 3.47Å; I913-H917 WeakPolarHBondContact CG2-CD2 3.36Å; I913-H917 PolarHBondContact O-CD2 3.24Å; I913-H917 PolarHBondContact O-N 2.88Å
914G85.2Confident86.7Confident11 Ų1163.3 Ų63.311%0.11334%0.337CS..Hα-helixtrans-61.2-45.117900000112.8S911 R916 H917 C918S911-G914 PolarHBondContact O-N 3.26Å; S911-G914 WeakPolarHBondContact OG-CA 2.99Å; S911-G914 PolarHBondContact OG-N 3.33Å; G914-R916 VanDerWaalsContact C-N 3.34Å; G914-R916 PolarHBondContact O-N 2.85Å; G914-H917 PolarHBondContact O-N 3.5Å; G914-C918 PolarHBondContact O-N 3.17Å; G914-C918 PolarHBondContact O-SG 3.45Å; G914-C918 VanDerWaalsContact O-SG 3.39Å
915N87.2Confident87.3Confident44 Ų4456.1 Ų56.124%0.23530%0.303CS..Hα-helixtrans-53.8-51.7174.6-169.3-47.1000110.9I909 S911 H917 C918 T919 H976I909-N915 VanDerWaalsContact O-CA 3.31Å; I909-N915 WeakPolarHBondContact O-CA 3.28Å; I909-N915 WeakPolarHBondContact O-CB 3.38Å; I909-N915 PolarHBondContact O-N 3.14Å; S911-N915 WeakPolarHBondContact O-CB 3.28Å; S911-N915 PolarHBondContact O-N 2.86Å; N915-H917 VanDerWaalsContact C-N 3.32Å; N915-H917 PolarHBondContact O-N 3.3Å; N915-C918 PolarHBondContact O-N 3.18Å; N915-T919 VanDerWaalsContact O-CB 3.29Å; N915-T919 WeakPolarHBondContact O-CB 3.47Å; N915-T919 PolarHBondContact O-N 2.85Å; N915-T919 PolarHBondContact O-OG1 3.5Å; N915-T919 PolarHBondContact OD1-OG1 3.39Å; N915-H976 PolarHBondContact ND2-CD2 3.31Å; N915-H976 VanDerWaalsContact ND2-CD2 3.26Å; N915-H976 PolarHBondContact ND2-NE2 2.88Å
916R88.3Confident88.1Confident164 Ų16455.6 Ų55.662%0.61930%0.296SS*.Hα-helixtrans-61.2-42.2-179.2-168.4174.570.4114.21.9111.5S912 I913 G914 T920S912-R916 WeakPolarHBondContact O-CB 3.47Å; S912-R916 PolarHBondContact O-N 3.3Å; I913-R916 PolarHBondContact O-N 3.42Å; G914-R916 VanDerWaalsContact C-N 3.34Å; G914-R916 PolarHBondContact O-N 2.85Å; R916-T920 WeakPolarHBondContact O-CB 3.46Å; R916-T920 PolarHBondContact O-N 3.43Å; R916-T920 PolarHBondContact O-OG1 3.2Å
917H89.2Confident88.7Confident106 Ų10662 Ų6249%0.49133%0.326SS..Hα-helixtrans-63.6-48.1177.5-76-63.4000112.8I913 G914 N915 A921I913-H917 VanDerWaalsContact CG2-CD2 3.47Å; I913-H917 WeakPolarHBondContact CG2-CD2 3.36Å; I913-H917 PolarHBondContact O-CD2 3.24Å; I913-H917 PolarHBondContact O-N 2.88Å; G914-H917 PolarHBondContact O-N 3.5Å; N915-H917 VanDerWaalsContact C-N 3.32Å; N915-H917 PolarHBondContact O-N 3.3Å; H917-A921 WeakPolarHBondContact O-CB 3.43Å; H917-A921 PolarHBondContact O-N 2.94Å
918C91.6Very high89.7Confident3 Ų357.1 Ų57.12%0.0230%0.303CS..Hα-helixtrans-63.3-43.3177.7-66.90000111.6I909 G914 N915 A921 I922 L980I909-C918 HydrophobicContact CD1-CB 3.94Å; I909-C918 HydrophobicContact CG1-CB 4.16Å; G914-C918 PolarHBondContact O-N 3.17Å; G914-C918 PolarHBondContact O-SG 3.45Å; G914-C918 VanDerWaalsContact O-SG 3.39Å; N915-C918 PolarHBondContact O-N 3.18Å; C918-A921 PolarHBondContact O-N 3.35Å; C918-I922 WeakPolarHBondContact O-CB 3.42Å; C918-I922 VanDerWaalsContact O-CG1 3.23Å; C918-I922 WeakPolarHBondContact O-CG1 3.47Å; C918-I922 PolarHBondContact O-N 3.06Å; C918-L980 HydrophobicContact CB-CD1 3.81Å
919T92.2Very high90.8Very high34 Ų3451.4 Ų51.421%0.20927%0.273CS..Hα-helixtrans-61.5-49.4178.7-58.50000111N915 A921 I922 E923 L980N915-T919 VanDerWaalsContact O-CB 3.29Å; N915-T919 WeakPolarHBondContact O-CB 3.47Å; N915-T919 PolarHBondContact O-N 2.85Å; N915-T919 PolarHBondContact O-OG1 3.5Å; N915-T919 PolarHBondContact OD1-OG1 3.39Å; T919-A921 VanDerWaalsContact C-N 3.33Å; T919-A921 PolarHBondContact O-N 2.93Å; T919-I922 PolarHBondContact O-N 3.28Å; T919-E923 HydrophobicContact CG2-CG 4.3Å; T919-E923 WeakPolarHBondContact O-CB 3.32Å; T919-E923 VanDerWaalsContact O-CG 3.32Å; T919-E923 WeakPolarHBondContact O-CG 3.34Å; T919-E923 PolarHBondContact O-N 3.22Å; T919-L980 HydrophobicContact CG2-CD2 4.19Å
920T92.5Very high91.3Very high61 Ų6154.9 Ų54.937%0.37429%0.289SS..Hα-helixtrans-60.8-40.3176.7-59.40000112.2R916 I922 E923 D924R916-T920 WeakPolarHBondContact O-CB 3.46Å; R916-T920 PolarHBondContact O-N 3.43Å; R916-T920 PolarHBondContact O-OG1 3.2Å; T920-I922 VanDerWaalsContact C-N 3.34Å; T920-I922 PolarHBondContact O-N 3.45Å; T920-E923 PolarHBondContact O-N 3.33Å; T920-D924 VanDerWaalsContact O-CB 3.3Å; T920-D924 WeakPolarHBondContact O-CB 3.39Å; T920-D924 PolarHBondContact O-N 3.47Å
921A93.4Very high92Very high3 Ų358.1 Ų58.13%0.02530%0.296CS..Hα-helixtrans-63.7-39.3178.200000112.8R902 I903 H917 C918 T919 C925R902-A921 HydrophobicContact CB-CB 4.11Å; I903-A921 HydrophobicContact CG1-CB 3.76Å; H917-A921 WeakPolarHBondContact O-CB 3.43Å; H917-A921 PolarHBondContact O-N 2.94Å; C918-A921 PolarHBondContact O-N 3.35Å; T919-A921 VanDerWaalsContact C-N 3.33Å; T919-A921 PolarHBondContact O-N 2.93Å; A921-C925 WeakPolarHBondContact O-CB 3.47Å; A921-C925 PolarHBondContact O-N 2.81Å
922I94.4Very high92.4Very high2 Ų255.9 Ų55.91%0.0128%0.28CS..Hα-helixtrans-71.4-43.9177.2-68.1-74.1000110.9I903 C918 T919 T920 D924 C925 C926 L959 L980 I984I903-I922 HydrophobicContact CD1-CD1 3.63Å; I903-I922 HydrophobicContact CD1-CG1 4.15Å; C918-I922 WeakPolarHBondContact O-CB 3.42Å; C918-I922 VanDerWaalsContact O-CG1 3.23Å; C918-I922 WeakPolarHBondContact O-CG1 3.47Å; C918-I922 PolarHBondContact O-N 3.06Å; T919-I922 PolarHBondContact O-N 3.28Å; T920-I922 VanDerWaalsContact C-N 3.34Å; T920-I922 PolarHBondContact O-N 3.45Å; I922-D924 PolarHBondContact O-N 3.48Å; I922-C925 WeakPolarHBondContact O-CB 3.29Å; I922-C925 PolarHBondContact O-N 2.88Å; I922-C926 PolarHBondContact O-N 3.49Å; I922-C926 PolarHBondContact O-SG 2.87Å; I922-L959 HydrophobicContact CD1-CD2 4.07Å; I922-L980 HydrophobicContact CB-CD2 4.32Å; I922-L980 HydrophobicContact CG1-CB 4.25Å; I922-L980 HydrophobicContact CG1-CD1 4.25Å; I922-L980 HydrophobicContact CG1-CD2 4.47Å; I922-L980 HydrophobicContact CG2-CB 4.41Å; I922-L980 HydrophobicContact CG2-CD2 4.29Å; I922-I984 HydrophobicContact CB-CD1 4.48Å; I922-I984 HydrophobicContact CD1-CD1 3.45Å; I922-I984 VanDerWaalsContact CD1-CD1 3.45Å; I922-I984 HydrophobicContact CG2-CD1 3.8Å; I922-I984 HydrophobicContact CG2-CG1 3.84Å
923E94.9Very high93Very high99 Ų9951.8 Ų51.846%0.46325%0.252SS..Hα-helixtrans-60.8-43.6174.6-73.7173.4166.900111.7T919 T920 C925 C926 H927T919-E923 HydrophobicContact CG2-CG 4.3Å; T919-E923 WeakPolarHBondContact O-CB 3.32Å; T919-E923 VanDerWaalsContact O-CG 3.32Å; T919-E923 WeakPolarHBondContact O-CG 3.34Å; T919-E923 PolarHBondContact O-N 3.22Å; T920-E923 PolarHBondContact O-N 3.33Å; E923-C925 VanDerWaalsContact C-N 3.3Å; E923-C925 PolarHBondContact O-N 3.39Å; E923-C926 PolarHBondContact O-N 2.94Å; E923-H927 WeakPolarHBondContact O-CB 3.35Å; E923-H927 PolarHBondContact O-N 3.04Å; E923-H927 PolarHBondContact O-ND1 2.97Å
924D94.9Very high93.4Very high63 Ų6353.1 Ų53.134%0.33726%0.256SS..Hα-helixtrans-59.4-42.4174-78.3-10.4000110.8R902 T920 I922 H928R902-D924 IonicContact NH1-OD2 3.35Å; R902-D924 PolarHBondContact NH1-OD2 3.43Å; T920-D924 VanDerWaalsContact O-CB 3.3Å; T920-D924 WeakPolarHBondContact O-CB 3.39Å; T920-D924 PolarHBondContact O-N 3.47Å; I922-D924 PolarHBondContact O-N 3.48Å; D924-H928 VanDerWaalsContact O-CB 3.27Å; D924-H928 WeakPolarHBondContact O-CB 3.3Å; D924-H928 PolarHBondContact O-N 3.09Å
925C96.3Very high93.7Very high1 Ų153.3 Ų53.31%0.00726%0.256CS..Hα-helixtrans-63-46.7176.6-170.40000111.7C899 A921 I922 E923 H928 L929C899-C925 HydrophobicContact CB-CB 4.04Å; A921-C925 WeakPolarHBondContact O-CB 3.47Å; A921-C925 PolarHBondContact O-N 2.81Å; I922-C925 WeakPolarHBondContact O-CB 3.29Å; I922-C925 PolarHBondContact O-N 2.88Å; E923-C925 VanDerWaalsContact C-N 3.3Å; E923-C925 PolarHBondContact O-N 3.39Å; C925-H928 PolarHBondContact O-N 3.26Å; C925-L929 WeakPolarHBondContact O-CG 3.43Å; C925-L929 PolarHBondContact O-N 3.17Å
926C96.2Very high94.1Very high10 Ų1051.2 Ų51.27%0.06825%0.245CC..Hα-helixtrans-62.3-47.4176.6-71.50000111.9I922 E923 H928 L929 H930 I984 T987I922-C926 PolarHBondContact O-N 3.49Å; I922-C926 PolarHBondContact O-SG 2.87Å; E923-C926 PolarHBondContact O-N 2.94Å; C926-H928 VanDerWaalsContact C-N 3.26Å; C926-H928 PolarHBondContact O-N 2.86Å; C926-L929 PolarHBondContact O-N 3.24Å; C926-H930 PolarHBondContact O-CD2 2.8Å; C926-H930 PolarHBondContact O-N 3.26Å; C926-I984 WeakPolarHBondContact SG-CG1 3.31Å; C926-T987 HydrophobicContact CB-CG2 4.25Å
927H95.5Very high94.1Very high139 Ų13945.9 Ų45.964%0.64423%0.232SC*.Hα-helixtrans-58.6-40.9176.6-80.687.6000111.6E923 H930 K931E923-H927 WeakPolarHBondContact O-CB 3.35Å; E923-H927 PolarHBondContact O-N 3.04Å; E923-H927 PolarHBondContact O-ND1 2.97Å; H927-H930 PolarHBondContact O-N 2.86Å; H927-K931 PolarHBondContact O-N 2.98Å
928H96.4Very high94.2Very high24 Ų2441.1 Ų41.111%0.11121%0.211CC..Hα-helixtrans-68.7-39.8178.3-164.168000112.3E892 V895 L896 D924 C925 C926 H930 K931 I932E892-H928 IonicContact OE2-CE1 2.72Å; E892-H928 PolarHBondContact OE2-CE1 3.43Å; E892-H928 IonicContact OE2-NE2 2.83Å; E892-H928 PolarHBondContact OE2-NE2 3.32Å; V895-H928 WeakPolarHBondContact CB-NE2 3.35Å; V895-H928 WeakPolarHBondContact CG1-NE2 3.35Å; L896-H928 HydrophobicContact CD2-CB 4.19Å; D924-H928 VanDerWaalsContact O-CB 3.27Å; D924-H928 WeakPolarHBondContact O-CB 3.3Å; D924-H928 PolarHBondContact O-N 3.09Å; C925-H928 PolarHBondContact O-N 3.26Å; C926-H928 VanDerWaalsContact C-N 3.26Å; C926-H928 PolarHBondContact O-N 2.86Å; H928-H930 PolarHBondContact O-N 3.11Å; H928-K931 WeakPolarHBondContact O-CB 3.27Å; H928-K931 PolarHBondContact O-N 2.71Å; H928-I932 WeakPolarHBondContact O-CD1 3.46Å; H928-I932 VanDerWaalsContact O-CG1 3.29Å; H928-I932 WeakPolarHBondContact O-CG1 3.16Å; H928-I932 PolarHBondContact O-N 3.21Å
929L97.4Very high94.2Very high0 Ų041.1 Ų41.10%021%0.211CC..Hα-helixtrans-60.5-42.8171.8-74.2172.3000112.2L896 C925 C926 K931 I932 S933 M948 V955 I988 F991L896-L929 HydrophobicContact CD1-CD2 3.69Å; L896-L929 HydrophobicContact CD2-CD2 3.87Å; L896-L929 HydrophobicContact CD2-CG 3.82Å; L896-L929 HydrophobicContact CG-CD2 4.47Å; C925-L929 WeakPolarHBondContact O-CG 3.43Å; C925-L929 PolarHBondContact O-N 3.17Å; C926-L929 PolarHBondContact O-N 3.24Å; L929-K931 VanDerWaalsContact C-N 3.35Å; L929-K931 PolarHBondContact O-N 2.99Å; L929-I932 PolarHBondContact O-N 3.34Å; L929-S933 WeakPolarHBondContact O-CB 3.42Å; L929-S933 PolarHBondContact O-N 3.39Å; L929-M948 HydrophobicContact CB-CE 4.04Å; L929-M948 HydrophobicContact CD2-CE 3.86Å; L929-M948 WeakPolarHBondContact O-CE 3.42Å; L929-V955 HydrophobicContact CD1-CG2 4.38Å; L929-V955 HydrophobicContact CD2-CG2 4.37Å; L929-I988 HydrophobicContact CD1-CG1 4.38Å; L929-F991 HydrophobicContact CB-CE2 3.8Å; L929-F991 HydrophobicContact CB-CZ 3.97Å
930H95.9Very high94Very high74 Ų7440.2 Ų40.234%0.34321%0.206SC..Hα-helixtrans-61.5-43.2174.8-80.1-71.7000111.8C926 H927 H928 I932 S933 E934 T987 F991C926-H930 PolarHBondContact O-CD2 2.8Å; C926-H930 PolarHBondContact O-N 3.26Å; H927-H930 PolarHBondContact O-N 2.86Å; H928-H930 PolarHBondContact O-N 3.11Å; H930-I932 VanDerWaalsContact C-N 3.32Å; H930-I932 PolarHBondContact O-N 2.79Å; H930-S933 PolarHBondContact O-N 3.22Å; H930-E934 WeakPolarHBondContact O-CB 3.36Å; H930-E934 PolarHBondContact O-N 3.12Å; H930-T987 WeakPolarHBondContact NE2-CG2 2.94Å; H930-F991 HydrophobicContact CB-CZ 4.46Å; H930-F991 AromaticContact CE1-CE1 3.7Å; H930-F991 AromaticContact CE1-CZ 3.77Å; H930-F991 AromaticContact CG-CZ 3.82Å; H930-F991 AromaticContact ND1-CE1 3.35Å; H930-F991 WeakPolarHBondContact ND1-CE1 3.35Å; H930-F991 AromaticContact ND1-CZ 3.58Å
931K95.1Very high93.6Very high121 Ų12141.2 Ų41.253%0.52620%0.203SC..Hα-helixtrans-58.8-43.6175.3-176.1-169.2175-163.40111.9H927 H928 L929 A935H927-K931 PolarHBondContact O-N 2.98Å; H928-K931 WeakPolarHBondContact O-CB 3.27Å; H928-K931 PolarHBondContact O-N 2.71Å; L929-K931 VanDerWaalsContact C-N 3.35Å; L929-K931 PolarHBondContact O-N 2.99Å; K931-A935 WeakPolarHBondContact O-CB 3.27Å; K931-A935 PolarHBondContact O-N 3.45Å; K931-A935 VanDerWaalsContact O-N 3.12Å
932I95.8Very high93.2Very high1 Ų147 Ų471%0.00523%0.232CC..Hα-helixtrans-64.3-47.9176.8-66.5157.2000110.2L799 E892 L896 H928 L929 H930 E934 A935 L936 M948 M951L799-I932 HydrophobicContact CD2-CG2 4.23Å; E892-I932 HydrophobicContact CB-CD1 3.96Å; E892-I932 HydrophobicContact CB-CG1 4.16Å; E892-I932 HydrophobicContact CG-CG1 4.23Å; L896-I932 HydrophobicContact CD1-CD1 4.05Å; L896-I932 HydrophobicContact CD2-CD1 4.44Å; L896-I932 HydrophobicContact CG-CD1 4.27Å; H928-I932 WeakPolarHBondContact O-CD1 3.46Å; H928-I932 VanDerWaalsContact O-CG1 3.29Å; H928-I932 WeakPolarHBondContact O-CG1 3.16Å; H928-I932 PolarHBondContact O-N 3.21Å; L929-I932 PolarHBondContact O-N 3.34Å; H930-I932 VanDerWaalsContact C-N 3.32Å; H930-I932 PolarHBondContact O-N 2.79Å; I932-E934 VanDerWaalsContact C-N 3.34Å; I932-E934 PolarHBondContact O-N 2.52Å; I932-A935 PolarHBondContact O-N 3.2Å; I932-L936 HydrophobicContact CG2-CD1 3.55Å; I932-L936 HydrophobicContact CG2-CG 4.14Å; I932-L936 WeakPolarHBondContact O-CB 3.43Å; I932-L936 VanDerWaalsContact O-CG 3.23Å; I932-L936 WeakPolarHBondContact O-CG 3.35Å; I932-L936 PolarHBondContact O-N 3.4Å; I932-M948 HydrophobicContact CG2-SD 4.16Å; I932-M951 HydrophobicContact CD1-CE 3.58Å
933S95.4Very high93Very high18 Ų1848.6 Ų48.613%0.12624%0.241CC..Hα-helixtrans-57.5-45.4178.6170.70000112L929 H930 A935 L936 S937 Y944 F991L929-S933 WeakPolarHBondContact O-CB 3.42Å; L929-S933 PolarHBondContact O-N 3.39Å; H930-S933 PolarHBondContact O-N 3.22Å; S933-A935 PolarHBondContact O-N 3Å; S933-L936 PolarHBondContact O-N 2.96Å; S933-S937 PolarHBondContact O-N 3.37Å; S933-S937 VanDerWaalsContact O-N 3.13Å; S933-Y944 PolarHBondContact OG-OH 2.78Å; S933-F991 WeakPolarHBondContact OG-CD1 3.35Å
934E93.3Very high93Very high138 Ų13845.4 Ų45.465%0.64523%0.225SC*.Hα-helixtrans-60.8-45.2177-173.4-176.6174.100111.5H930 I932 L936 S937H930-E934 WeakPolarHBondContact O-CB 3.36Å; H930-E934 PolarHBondContact O-N 3.12Å; I932-E934 VanDerWaalsContact C-N 3.34Å; I932-E934 PolarHBondContact O-N 2.52Å; E934-L936 VanDerWaalsContact C-N 3.32Å; E934-L936 PolarHBondContact O-N 3.14Å; E934-S937 VanDerWaalsContact O-CB 3.28Å; E934-S937 WeakPolarHBondContact O-CB 3.47Å; E934-S937 PolarHBondContact O-N 3.26Å; E934-S937 PolarHBondContact O-OG 2.95Å
935A92.7Very high92.8Very high14 Ų1443 Ų4312%0.11621%0.212CC..Hα-helixtrans-66.6-31.9179.100000113.3L799 R800 K931 I932 S933 S937L799-A935 HydrophobicContact CB-CB 4.09Å; L799-A935 HydrophobicContact CD2-CB 3.77Å; L799-A935 HydrophobicContact CG-CB 3.83Å; R800-A935 HydrophobicContact CB-CB 4.3Å; K931-A935 WeakPolarHBondContact O-CB 3.27Å; K931-A935 PolarHBondContact O-N 3.45Å; K931-A935 VanDerWaalsContact O-N 3.12Å; I932-A935 PolarHBondContact O-N 3.2Å; S933-A935 PolarHBondContact O-N 3Å; A935-S937 VanDerWaalsContact C-N 3.35Å
936L94Very high92.5Very high0 Ų050.4 Ų50.40%024%0.24CC..Hα-helixtrans-82.8-8.6178.6-65174.8000113.5L799 V803 L885 L889 I932 S933 E934 S938 L939 Y944 A947 M948L799-L936 HydrophobicContact CD1-CD2 4.31Å; L799-L936 HydrophobicContact CD2-CD2 4.3Å; L799-L936 HydrophobicContact CD2-CG 4.37Å; V803-L936 HydrophobicContact CG2-CD2 3.71Å; L885-L936 HydrophobicContact CD1-CD2 4.34Å; L889-L936 HydrophobicContact CD2-CD1 4.27Å; L889-L936 HydrophobicContact CD2-CD2 4.09Å; I932-L936 HydrophobicContact CG2-CD1 3.55Å; I932-L936 HydrophobicContact CG2-CG 4.14Å; I932-L936 WeakPolarHBondContact O-CB 3.43Å; I932-L936 VanDerWaalsContact O-CG 3.23Å; I932-L936 WeakPolarHBondContact O-CG 3.35Å; I932-L936 PolarHBondContact O-N 3.4Å; S933-L936 PolarHBondContact O-N 2.96Å; E934-L936 VanDerWaalsContact C-N 3.32Å; E934-L936 PolarHBondContact O-N 3.14Å; L936-S938 PolarHBondContact O-N 2.83Å; L936-S938 VanDerWaalsContact O-N 3.08Å; L936-L939 HydrophobicContact CB-CD1 4.09Å; L936-L939 HydrophobicContact CD2-CD1 3.56Å; L936-L939 HydrophobicContact CG-CD1 4.37Å; L936-L939 VanDerWaalsContact O-CB 3.32Å; L936-L939 WeakPolarHBondContact O-CB 3.19Å; L936-L939 WeakPolarHBondContact O-CG 3.46Å; L936-L939 PolarHBondContact O-N 3.41Å; L936-Y944 HydrophobicContact CB-CD2 3.75Å; L936-Y944 HydrophobicContact CB-CE2 4.02Å; L936-Y944 WeakPolarHBondContact O-CD2 3.17Å; L936-A947 HydrophobicContact CD1-CB 3.86Å; L936-A947 HydrophobicContact CD2-CB 4.45Å; L936-M948 HydrophobicContact CD1-SD 4.35Å
937S90.1Very high92.4Very high52 Ų5250.2 Ų50.236%0.36424%0.239SC..THydrogen-bonded Turntrans-58-25.4-170.861.30000115.1S933 E934 A935S933-S937 PolarHBondContact O-N 3.37Å; S933-S937 VanDerWaalsContact O-N 3.13Å; E934-S937 VanDerWaalsContact O-CB 3.28Å; E934-S937 WeakPolarHBondContact O-CB 3.47Å; E934-S937 PolarHBondContact O-N 3.26Å; E934-S937 PolarHBondContact O-OG 2.95Å; A935-S937 VanDerWaalsContact C-N 3.35Å
938S89.7Confident92.3Very high7 Ų743.6 Ų43.65%0.04921%0.208CC..THydrogen-bonded Turntrans-82.9-7.2178.352.60000114.4C716 M717 V803 N807 L936C716-S938 WeakPolarHBondContact CB-O 3.41Å; M717-S938 PolarHBondContact N-O 3.36Å; V803-S938 WeakPolarHBondContact CG1-OG 3.27Å; N807-S938 PolarHBondContact ND2-O 2.88Å; L936-S938 PolarHBondContact O-N 2.83Å; L936-S938 VanDerWaalsContact O-N 3.08Å
939L91.4Very high92.2Very high2 Ų242.4 Ų42.41%0.0120%0.203CC..SBendtrans-69.2153.5177.1-72.3172.4000111.5V803 Y806 N807 L885 L936 R941 V943V803-L939 HydrophobicContact CG1-CD2 3.72Å; V803-L939 HydrophobicContact CG1-CG 3.63Å; V803-L939 HydrophobicContact CG2-CD1 4.36Å; V803-L939 HydrophobicContact CG2-CG 4.33Å; Y806-L939 HydrophobicContact CD1-CD2 3.44Å; Y806-L939 VanDerWaalsContact CD1-CD2 3.44Å; Y806-L939 HydrophobicContact CE1-CD2 3.77Å; Y806-L939 HydrophobicContact CG-CD2 4.31Å; N807-L939 WeakPolarHBondContact OD1-CD2 3.47Å; L885-L939 HydrophobicContact CD2-CD1 4.37Å; L885-L939 HydrophobicContact CD2-CD2 4.22Å; L936-L939 HydrophobicContact CB-CD1 4.09Å; L936-L939 HydrophobicContact CD2-CD1 3.56Å; L936-L939 HydrophobicContact CG-CD1 4.37Å; L936-L939 VanDerWaalsContact O-CB 3.32Å; L936-L939 WeakPolarHBondContact O-CB 3.19Å; L936-L939 WeakPolarHBondContact O-CG 3.46Å; L936-L939 PolarHBondContact O-N 3.41Å; L939-R941 PolarHBondContact O-N 3.01Å; L939-V943 HydrophobicContact CB-CB 4.42Å; L939-V943 HydrophobicContact CD1-CG1 4.11Å; L939-V943 HydrophobicContact CD2-CG1 4.26Å
940P88.8Confident92Very high15 Ų1546.9 Ų46.910%0.09723%0.226CC..  trans-52.4138.3165.3-23.731.6000110.9P714 C716 N807 I942 V943 Y944P714-P940 HydrophobicContact CB-CB 3.92Å; P714-P940 HydrophobicContact CB-CG 4.14Å; C716-P940 HydrophobicContact CB-CG 3.85Å; N807-P940 WeakPolarHBondContact OD1-CD 3.16Å; P940-I942 PolarHBondContact O-N 3.21Å; P940-V943 HydrophobicContact CB-CG2 4.19Å; P940-V943 HydrophobicContact CG-CG2 4.37Å; P940-V943 WeakPolarHBondContact O-CA 3.49Å; P940-V943 WeakPolarHBondContact O-CB 3.22Å; P940-V943 PolarHBondContact O-N 3.39Å; P940-Y944 PolarHBondContact O-N 3.3Å
941R85.1Confident92Very high83 Ų8343.5 Ų43.531%0.31321%0.21SC..Hα-helixtrans-48.7-41.5-173-179.3173.7-106.6-107.6-1.2114.1L939 V943 Y944 F945L939-R941 PolarHBondContact O-N 3.01Å; R941-V943 VanDerWaalsContact C-N 3.34Å; R941-V943 PolarHBondContact O-N 3.32Å; R941-Y944 PolarHBondContact O-N 3.02Å; R941-F945 HydrophobicContact CG-CD2 3.66Å; R941-F945 HydrophobicContact CG-CE2 3.2Å; R941-F945 HydrophobicContact CG-CZ 4.04Å; R941-F945 WeakPolarHBondContact O-CD2 3.41Å; R941-F945 PolarHBondContact O-N 3.37Å
942I84.6Confident92Very high125 Ų12537.7 Ų37.764%0.64119%0.185SC*.Hα-helixtrans-63.4-41.4178.8-61.4171.2000111.3P940 R946P940-I942 PolarHBondContact O-N 3.21Å; I942-R946 WeakPolarHBondContact O-CB 3.26Å; I942-R946 PolarHBondContact O-N 2.97Å
943V90.6Very high92Very high34 Ų3439.2 Ų39.221%0.20619%0.193CC..Hα-helixtrans-73.8-42.1-179.8-172.30000110.2Y806 L939 P940 R941 R946 A947Y806-V943 HydrophobicContact CE1-CG1 4.16Å; L939-V943 HydrophobicContact CB-CB 4.42Å; L939-V943 HydrophobicContact CD1-CG1 4.11Å; L939-V943 HydrophobicContact CD2-CG1 4.26Å; P940-V943 HydrophobicContact CB-CG2 4.19Å; P940-V943 HydrophobicContact CG-CG2 4.37Å; P940-V943 WeakPolarHBondContact O-CA 3.49Å; P940-V943 WeakPolarHBondContact O-CB 3.22Å; P940-V943 PolarHBondContact O-N 3.39Å; R941-V943 VanDerWaalsContact C-N 3.34Å; R941-V943 PolarHBondContact O-N 3.32Å; V943-R946 PolarHBondContact O-N 2.86Å; V943-A947 WeakPolarHBondContact O-CB 3.4Å; V943-A947 PolarHBondContact O-N 2.92Å
944Y93Very high92.1Very high32 Ų3239.2 Ų39.213%0.12519%0.193CC..Hα-helixtrans-53.8-55.2173.8172.1-94.8000111.6S933 L936 P940 R941 R946 A947 M948S933-Y944 PolarHBondContact OG-OH 2.78Å; L936-Y944 HydrophobicContact CB-CD2 3.75Å; L936-Y944 HydrophobicContact CB-CE2 4.02Å; L936-Y944 WeakPolarHBondContact O-CD2 3.17Å; P940-Y944 PolarHBondContact O-N 3.3Å; R941-Y944 PolarHBondContact O-N 3.02Å; Y944-R946 VanDerWaalsContact C-N 3.26Å; Y944-R946 PolarHBondContact O-N 3.03Å; Y944-A947 PolarHBondContact O-N 2.99Å; Y944-M948 WeakPolarHBondContact O-CB 3.26Å; Y944-M948 PolarHBondContact O-N 3.48Å
945F90.8Very high92.2Very high12 Ų1232.7 Ų32.75%0.05316%0.162CC..Hα-helixtrans-65.1-30.9-179.2-69.2-47.4000113R941 G949 F992 L1019 R1023R941-F945 HydrophobicContact CG-CD2 3.66Å; R941-F945 HydrophobicContact CG-CE2 3.2Å; R941-F945 HydrophobicContact CG-CZ 4.04Å; R941-F945 WeakPolarHBondContact O-CD2 3.41Å; R941-F945 PolarHBondContact O-N 3.37Å; F945-G949 WeakPolarHBondContact O-CA 3.23Å; F945-G949 PolarHBondContact O-N 3.31Å; F945-F992 HydrophobicContact CB-CE1 4.46Å; F945-F992 AromaticContact CD1-CD1 3.79Å; F945-F992 HydrophobicContact CD1-CD1 3.79Å; F945-F992 HydrophobicContact CD1-CE1 4.11Å; F945-F992 HydrophobicContact CE1-CD1 4.32Å; F945-L1019 HydrophobicContact CE2-CD1 4.31Å; F945-R1023 HydrophobicContact CB-CG 4.47Å
946R91.2Very high92.4Very high158 Ų15832 Ų3260%0.59616%0.157SC*.Hα-helixtrans-66.8-48.5173.5-177.3176.3-178151.91.4111.3I942 V943 Y944 G949 I950I942-R946 WeakPolarHBondContact O-CB 3.26Å; I942-R946 PolarHBondContact O-N 2.97Å; V943-R946 PolarHBondContact O-N 2.86Å; Y944-R946 VanDerWaalsContact C-N 3.26Å; Y944-R946 PolarHBondContact O-N 3.03Å; R946-G949 PolarHBondContact O-N 3.35Å; R946-I950 HydrophobicContact CG-CD1 4.26Å; R946-I950 WeakPolarHBondContact O-CG1 3.49Å; R946-I950 PolarHBondContact O-N 3.31Å; R946-I950 VanDerWaalsContact O-N 3.14Å
947A93.2Very high92.4Very high5 Ų533.4 Ų33.44%0.04117%0.165CC..Hα-helixtrans-63.6-51.3179.400000110.8L889 L936 V943 Y944 G949 I950 M951L889-A947 HydrophobicContact CD1-CB 3.97Å; L889-A947 HydrophobicContact CD2-CB 4.48Å; L936-A947 HydrophobicContact CD1-CB 3.86Å; L936-A947 HydrophobicContact CD2-CB 4.45Å; V943-A947 WeakPolarHBondContact O-CB 3.4Å; V943-A947 PolarHBondContact O-N 2.92Å; Y944-A947 PolarHBondContact O-N 2.99Å; A947-G949 VanDerWaalsContact C-N 3.31Å; A947-G949 PolarHBondContact O-N 2.86Å; A947-I950 PolarHBondContact O-N 3.24Å; A947-M951 VanDerWaalsContact O-CG 3.29Å; A947-M951 WeakPolarHBondContact O-CG 3.36Å; A947-M951 PolarHBondContact O-N 3.17Å; A947-M951 VanDerWaalsContact O-N 3.14Å
948M94.4Very high92.6Very high0 Ų033.4 Ų33.40%016%0.16CC..Hα-helixtrans-65.2-35.8179.8-154.462.8-164.300112.1L929 I932 L936 Y944 M951 C952 F991 F992L929-M948 HydrophobicContact CB-CE 4.04Å; L929-M948 HydrophobicContact CD2-CE 3.86Å; L929-M948 WeakPolarHBondContact O-CE 3.42Å; I932-M948 HydrophobicContact CG2-SD 4.16Å; L936-M948 HydrophobicContact CD1-SD 4.35Å; Y944-M948 WeakPolarHBondContact O-CB 3.26Å; Y944-M948 PolarHBondContact O-N 3.48Å; M948-M951 PolarHBondContact O-N 2.82Å; M948-C952 WeakPolarHBondContact O-CB 3.44Å; M948-C952 PolarHBondContact O-N 2.9Å; M948-C952 PolarHBondContact O-SG 3.24Å; M948-F991 HydrophobicContact CE-CD1 4.37Å; M948-F991 HydrophobicContact CE-CD2 3.5Å; M948-F991 HydrophobicContact CE-CE1 4.38Å; M948-F991 HydrophobicContact CE-CE2 3.53Å; M948-F991 HydrophobicContact CE-CG 3.97Å; M948-F991 HydrophobicContact CE-CZ 3.99Å; M948-F991 HydrophobicContact CG-CB 4.15Å; M948-F991 HydrophobicContact CG-CD2 4.46Å; M948-F991 HydrophobicContact CG-CG 4.37Å; M948-F992 HydrophobicContact CB-CZ 4.39Å
949G93.6Very high92.9Very high0 Ų033.1 Ų33.10%016%0.157CC..Hα-helixtrans-55.6-50.6172.400000113F945 R946 A947 M951 N953 R1023F945-G949 WeakPolarHBondContact O-CA 3.23Å; F945-G949 PolarHBondContact O-N 3.31Å; R946-G949 PolarHBondContact O-N 3.35Å; A947-G949 VanDerWaalsContact C-N 3.31Å; A947-G949 PolarHBondContact O-N 2.86Å; G949-M951 VanDerWaalsContact C-N 3.32Å; G949-M951 PolarHBondContact O-N 3.47Å; G949-N953 WeakPolarHBondContact O-CB 3.32Å; G949-N953 PolarHBondContact O-N 3.2Å; G949-R1023 CarbonylContact C-O 3.35Å; G949-R1023 VanDerWaalsContact CA-O 3.22Å; G949-R1023 WeakPolarHBondContact CA-O 3.32Å
950I93.1Very high93Very high94 Ų9433.2 Ų33.248%0.48216%0.158SC..Hα-helixtrans-62.2-41.8178.9-67.1164.9000111.2R946 A947 C954R946-I950 HydrophobicContact CG-CD1 4.26Å; R946-I950 WeakPolarHBondContact O-CG1 3.49Å; R946-I950 PolarHBondContact O-N 3.31Å; R946-I950 VanDerWaalsContact O-N 3.14Å; A947-I950 PolarHBondContact O-N 3.24Å; I950-C954 WeakPolarHBondContact O-CB 3.4Å; I950-C954 PolarHBondContact O-N 3.17Å
951M96Very high93.2Very high2 Ų237 Ų371%0.0117%0.173CC..Hα-helixtrans-67.5-48.8-179-64.6-58.9-77.600112E892 R893 L896 I932 A947 M948 G949 C954 V955E892-M951 HydrophobicContact CB-CE 3.54Å; R893-M951 HydrophobicContact CB-CE 4.2Å; R893-M951 HydrophobicContact CB-SD 3.97Å; L896-M951 HydrophobicContact CD1-CB 4.26Å; L896-M951 HydrophobicContact CD1-CE 3.44Å; L896-M951 VanDerWaalsContact CD1-CE 3.44Å; L896-M951 HydrophobicContact CG-CE 4.37Å; I932-M951 HydrophobicContact CD1-CE 3.58Å; A947-M951 VanDerWaalsContact O-CG 3.29Å; A947-M951 WeakPolarHBondContact O-CG 3.36Å; A947-M951 PolarHBondContact O-N 3.17Å; A947-M951 VanDerWaalsContact O-N 3.14Å; M948-M951 PolarHBondContact O-N 2.82Å; G949-M951 VanDerWaalsContact C-N 3.32Å; G949-M951 PolarHBondContact O-N 3.47Å; M951-C954 WeakPolarHBondContact O-CB 3.37Å; M951-C954 PolarHBondContact O-N 2.98Å; M951-V955 PolarHBondContact O-N 3.28Å
952C96Very high93.5Very high0 Ų034.1 Ų34.10%017%0.165CC..Hα-helixtrans-64-40.9175.7-68.30000111.7M948 C954 V955 C956 I988M948-C952 WeakPolarHBondContact O-CB 3.44Å; M948-C952 PolarHBondContact O-N 2.9Å; M948-C952 PolarHBondContact O-SG 3.24Å; C952-C954 VanDerWaalsContact C-N 3.31Å; C952-C954 PolarHBondContact O-N 3.41Å; C952-V955 WeakPolarHBondContact O-CB 3.31Å; C952-V955 PolarHBondContact O-N 3.38Å; C952-V955 VanDerWaalsContact O-N 3.14Å; C952-C956 PolarHBondContact O-N 3.36Å; C952-C956 PolarHBondContact O-SG 3.49Å; C952-C956 VanDerWaalsContact O-SG 3.41Å; C952-I988 HydrophobicContact CB-CD1 4.25Å; C952-I988 HydrophobicContact CB-CG1 4.23Å; C952-I988 HydrophobicContact CB-CG2 3.88Å
953N95.8Very high93.8Very high32 Ų3228.3 Ų28.317%0.17114%0.135CC..Hα-helixtrans-60-45.3178.4-166.481.5000110.4G949 V955 C956 T957 C1024 P1025 D1026G949-N953 WeakPolarHBondContact O-CB 3.32Å; G949-N953 PolarHBondContact O-N 3.2Å; N953-V955 VanDerWaalsContact C-N 3.25Å; N953-V955 PolarHBondContact O-N 3.37Å; N953-C956 PolarHBondContact O-N 3.22Å; N953-C956 VanDerWaalsContact O-N 3.12Å; N953-T957 PolarHBondContact ND2-OG1 3.42Å; N953-T957 PolarHBondContact O-N 2.74Å; N953-T957 PolarHBondContact O-OG1 3.43Å; N953-C1024 WeakPolarHBondContact CA-SG 3.43Å; N953-C1024 PolarHBondContact N-SG 3.19Å; N953-C1024 VanDerWaalsContact N-SG 3.36Å; N953-P1025 VanDerWaalsContact OD1-CD 3.23Å; N953-P1025 WeakPolarHBondContact OD1-CD 3.43Å; N953-P1025 VanDerWaalsContact OD1-N 3.15Å; N953-D1026 PolarHBondContact ND2-OD2 3.16Å; N953-D1026 WeakPolarHBondContact OD1-CB 3.49Å; N953-D1026 PolarHBondContact OD1-N 3.09Å; N953-D1026 PolarHBondContact OD1-OD2 3.07Å
954C95.9Very high93.8Very high19 Ų1928 Ų2813%0.12813%0.132CC..Hα-helixtrans-54.3-41.8176.8-170.40000112.6R893 I950 M951 C952 E958R893-C954 HydrophobicContact CG-CB 4.25Å; R893-C954 VanDerWaalsContact CG-SG 3.55Å; I950-C954 WeakPolarHBondContact O-CB 3.4Å; I950-C954 PolarHBondContact O-N 3.17Å; M951-C954 WeakPolarHBondContact O-CB 3.37Å; M951-C954 PolarHBondContact O-N 2.98Å; C952-C954 VanDerWaalsContact C-N 3.31Å; C952-C954 PolarHBondContact O-N 3.41Å; C954-E958 PolarHBondContact O-N 3.31Å
955V96.5Very high93.7Very high1 Ų134.1 Ų34.11%0.00616%0.159CC..Hα-helixtrans-66-48.9176.5172.60000110.8L896 I900 L929 M951 C952 N953 T957 E958 L959 I984L896-V955 HydrophobicContact CB-CG2 4.15Å; L896-V955 HydrophobicContact CD1-CG2 3.93Å; L896-V955 HydrophobicContact CD2-CG2 4.18Å; L896-V955 HydrophobicContact CG-CG2 4.33Å; I900-V955 HydrophobicContact CD1-CB 4.09Å; I900-V955 HydrophobicContact CD1-CG1 3.92Å; I900-V955 HydrophobicContact CD1-CG2 4.14Å; L929-V955 HydrophobicContact CD1-CG2 4.38Å; L929-V955 HydrophobicContact CD2-CG2 4.37Å; M951-V955 PolarHBondContact O-N 3.28Å; C952-V955 WeakPolarHBondContact O-CB 3.31Å; C952-V955 PolarHBondContact O-N 3.38Å; C952-V955 VanDerWaalsContact O-N 3.14Å; N953-V955 VanDerWaalsContact C-N 3.25Å; N953-V955 PolarHBondContact O-N 3.37Å; V955-T957 PolarHBondContact O-N 3.12Å; V955-E958 PolarHBondContact O-N 2.95Å; V955-L959 HydrophobicContact CG1-CD1 3.85Å; V955-L959 HydrophobicContact CG1-CG 4.42Å; V955-L959 WeakPolarHBondContact O-CG 3.33Å; V955-L959 PolarHBondContact O-N 2.87Å; V955-I984 HydrophobicContact CG1-CD1 4.28Å; V955-I984 HydrophobicContact CG1-CG2 4.43Å
956C95.9Very high93.6Very high0 Ų034.3 Ų34.30%016%0.161CC..Hα-helixtrans-58-47177-680000111.9C952 N953 E958 L959 V960 I988 D1026C952-C956 PolarHBondContact O-N 3.36Å; C952-C956 PolarHBondContact O-SG 3.49Å; C952-C956 VanDerWaalsContact O-SG 3.41Å; N953-C956 PolarHBondContact O-N 3.22Å; N953-C956 VanDerWaalsContact O-N 3.12Å; C956-E958 VanDerWaalsContact C-N 3.34Å; C956-E958 PolarHBondContact O-N 3.49Å; C956-L959 PolarHBondContact O-N 3.17Å; C956-V960 VanDerWaalsContact O-CB 3.31Å; C956-V960 WeakPolarHBondContact O-CB 3.3Å; C956-V960 WeakPolarHBondContact O-CG2 3.47Å; C956-V960 PolarHBondContact O-N 3.4Å; C956-I988 VanDerWaalsContact SG-CD1 3.56Å; C956-D1026 HydrophobicContact CB-CB 3.72Å
957T95.1Very high93.3Very high29 Ų2933.4 Ų33.418%0.17817%0.166CC..Hα-helixtrans-55.7-48.6179.3-470000111N953 V955 K961 D1026N953-T957 PolarHBondContact ND2-OG1 3.42Å; N953-T957 PolarHBondContact O-N 2.74Å; N953-T957 PolarHBondContact O-OG1 3.43Å; V955-T957 PolarHBondContact O-N 3.12Å; T957-K961 HydrophobicContact CG2-CD 4.24Å; T957-K961 WeakPolarHBondContact O-CB 3.27Å; T957-K961 VanDerWaalsContact O-CG 3.27Å; T957-K961 WeakPolarHBondContact O-CG 3.46Å; T957-K961 PolarHBondContact O-N 2.96Å; T957-D1026 WeakPolarHBondContact CB-OD2 3.43Å; T957-D1026 PolarHBondContact OG1-OD2 2.98Å
958E94.7Very high92.9Very high52 Ų5239.2 Ų39.224%0.24320%0.197CC..Hα-helixtrans-74.3-34.6-176.7-68.5-48.8126.600113L897 I900 C954 V955 C956 K961 T962L897-E958 HydrophobicContact CD2-CB 4.43Å; L897-E958 HydrophobicContact CD2-CG 3.38Å; I900-E958 HydrophobicContact CD1-CB 3.99Å; I900-E958 HydrophobicContact CG2-CB 4.02Å; C954-E958 PolarHBondContact O-N 3.31Å; V955-E958 PolarHBondContact O-N 2.95Å; C956-E958 VanDerWaalsContact C-N 3.34Å; C956-E958 PolarHBondContact O-N 3.49Å; E958-K961 PolarHBondContact O-N 2.66Å; E958-K961 WeakPolarHBondContact OE1-CD 3.02Å; E958-K961 IonicContact OE1-NZ 2.83Å; E958-K961 PolarHBondContact OE1-NZ 3.26Å; E958-T962 VanDerWaalsContact O-CB 3.3Å; E958-T962 WeakPolarHBondContact O-CB 3.3Å; E958-T962 PolarHBondContact O-N 3Å; E958-T962 PolarHBondContact O-OG1 3.22Å
959L94.9Very high92.6Very high0 Ų039.8 Ų39.80%020%0.2CC..Hα-helixtrans-63.4-47.2172.1-71.8173.1000111.4I900 I903 F906 I922 V955 C956 K961 T962 I963 L981 I984 L1030I900-L959 HydrophobicContact CG2-CD2 4.33Å; I903-L959 HydrophobicContact CD1-CD2 3.95Å; F906-L959 HydrophobicContact CE2-CD2 4.29Å; F906-L959 HydrophobicContact CZ-CD2 4.1Å; I922-L959 HydrophobicContact CD1-CD2 4.07Å; V955-L959 HydrophobicContact CG1-CD1 3.85Å; V955-L959 HydrophobicContact CG1-CG 4.42Å; V955-L959 WeakPolarHBondContact O-CG 3.33Å; V955-L959 PolarHBondContact O-N 2.87Å; C956-L959 PolarHBondContact O-N 3.17Å; L959-K961 VanDerWaalsContact C-N 3.34Å; L959-K961 PolarHBondContact O-N 2.91Å; L959-T962 PolarHBondContact O-N 3.33Å; L959-T962 VanDerWaalsContact O-N 3.12Å; L959-I963 WeakPolarHBondContact O-CD1 3.5Å; L959-I963 VanDerWaalsContact O-CG1 3.29Å; L959-I963 WeakPolarHBondContact O-CG1 3.37Å; L959-I963 PolarHBondContact O-N 2.78Å; L959-L981 HydrophobicContact CD1-CD2 4.35Å; L959-L981 HydrophobicContact CD2-CD2 4.4Å; L959-I984 HydrophobicContact CD1-CD1 3.74Å; L959-I984 HydrophobicContact CD1-CG2 3.87Å; L959-L1030 HydrophobicContact CB-CD1 4.45Å
960V93.8Very high92.3Very high5 Ų543.3 Ų43.33%0.0322%0.221CC..Hα-helixtrans-54.9-50.4174.8163.80000110.3C956 T962 I963 L964 R1029 L1030 I1033C956-V960 VanDerWaalsContact O-CB 3.31Å; C956-V960 WeakPolarHBondContact O-CB 3.3Å; C956-V960 WeakPolarHBondContact O-CG2 3.47Å; C956-V960 PolarHBondContact O-N 3.4Å; V960-T962 VanDerWaalsContact C-N 3.32Å; V960-T962 PolarHBondContact O-N 3.49Å; V960-I963 PolarHBondContact O-N 3Å; V960-L964 HydrophobicContact CG1-CD1 3.72Å; V960-L964 HydrophobicContact CG1-CG 4.49Å; V960-L964 WeakPolarHBondContact O-CB 3.31Å; V960-L964 VanDerWaalsContact O-CG 3.22Å; V960-L964 WeakPolarHBondContact O-CG 3.39Å; V960-L964 PolarHBondContact O-N 2.66Å; V960-R1029 HydrophobicContact CG2-CB 4.03Å; V960-L1030 HydrophobicContact CG2-CB 4.12Å; V960-I1033 HydrophobicContact CB-CD1 4.06Å; V960-I1033 HydrophobicContact CG1-CD1 3.88Å; V960-I1033 HydrophobicContact CG2-CD1 3.9Å
961K92.8Very high91.9Very high94 Ų9447.1 Ų47.141%0.40923%0.234SC..Hα-helixtrans-60.4-39.3176.7-75.8171.3-176.7167.60113T957 E958 L959 K965T957-K961 HydrophobicContact CG2-CD 4.24Å; T957-K961 WeakPolarHBondContact O-CB 3.27Å; T957-K961 VanDerWaalsContact O-CG 3.27Å; T957-K961 WeakPolarHBondContact O-CG 3.46Å; T957-K961 PolarHBondContact O-N 2.96Å; E958-K961 PolarHBondContact O-N 2.66Å; E958-K961 WeakPolarHBondContact OE1-CD 3.02Å; E958-K961 IonicContact OE1-NZ 2.83Å; E958-K961 PolarHBondContact OE1-NZ 3.26Å; L959-K961 VanDerWaalsContact C-N 3.34Å; L959-K961 PolarHBondContact O-N 2.91Å; K961-K965 VanDerWaalsContact O-CG 3.3Å; K961-K965 WeakPolarHBondContact O-CG 3.47Å; K961-K965 PolarHBondContact O-N 3.36Å
962T92Very high91.5Very high23 Ų2349.6 Ų49.614%0.14125%0.252CS..Hα-helixtrans-67.6-43.1-177.8-590000110.8F906 E958 L959 V960 K965F906-T962 HydrophobicContact CD2-CG2 3.72Å; F906-T962 HydrophobicContact CE2-CG2 3.98Å; E958-T962 VanDerWaalsContact O-CB 3.3Å; E958-T962 WeakPolarHBondContact O-CB 3.3Å; E958-T962 PolarHBondContact O-N 3Å; E958-T962 PolarHBondContact O-OG1 3.22Å; L959-T962 PolarHBondContact O-N 3.33Å; L959-T962 VanDerWaalsContact O-N 3.12Å; V960-T962 VanDerWaalsContact C-N 3.32Å; V960-T962 PolarHBondContact O-N 3.49Å; T962-K965 PolarHBondContact O-N 2.86Å
963I91.3Very high91.1Very high2 Ų250.4 Ų50.41%0.0126%0.256CS..Hα-helixtrans-69.4-42.4178.8-61.6156.7000111.1F906 L959 V960 K965 L966 L981 I1033 L1071F906-I963 HydrophobicContact CD2-CG1 4.29Å; F906-I963 HydrophobicContact CE2-CG1 4.04Å; L959-I963 WeakPolarHBondContact O-CD1 3.5Å; L959-I963 VanDerWaalsContact O-CG1 3.29Å; L959-I963 WeakPolarHBondContact O-CG1 3.37Å; L959-I963 PolarHBondContact O-N 2.78Å; V960-I963 PolarHBondContact O-N 3Å; I963-K965 PolarHBondContact O-N 3.23Å; I963-K965 VanDerWaalsContact O-N 3.13Å; I963-L966 HydrophobicContact CG2-CD1 4.43Å; I963-L966 VanDerWaalsContact O-CB 3.31Å; I963-L966 WeakPolarHBondContact O-CB 3.17Å; I963-L966 PolarHBondContact O-N 2.96Å; I963-L981 HydrophobicContact CD1-CD1 3.34Å; I963-L981 HydrophobicContact CD1-CD2 3.86Å; I963-L981 HydrophobicContact CD1-CG 4.21Å; I963-L981 HydrophobicContact CG1-CD1 4.45Å; I963-I1033 HydrophobicContact CB-CG2 4.5Å; I963-I1033 HydrophobicContact CD1-CG2 3.95Å; I963-I1033 HydrophobicContact CG2-CG2 3.84Å; I963-L1071 HydrophobicContact CG2-CD2 4.05Å
964L90.6Very high90.9Very high27 Ų2749.3 Ų49.314%0.14125%0.251CS..Hα-helixtrans-64.4-17.2179.6-71.2172.1000113.8V960 I1033 E1067 L1071V960-L964 HydrophobicContact CG1-CD1 3.72Å; V960-L964 HydrophobicContact CG1-CG 4.49Å; V960-L964 WeakPolarHBondContact O-CB 3.31Å; V960-L964 VanDerWaalsContact O-CG 3.22Å; V960-L964 WeakPolarHBondContact O-CG 3.39Å; V960-L964 PolarHBondContact O-N 2.66Å; L964-I1033 HydrophobicContact CD2-CD1 4.48Å; L964-I1033 HydrophobicContact CG-CD1 4.24Å; L964-E1067 HydrophobicContact CD1-CB 4.3Å; L964-E1067 HydrophobicContact CD1-CG 3.88Å; L964-E1067 WeakPolarHBondContact CD1-OE1 3.29Å; L964-E1067 HydrophobicContact CD2-CB 3.82Å; L964-E1067 HydrophobicContact CD2-CG 4.23Å; L964-L1071 HydrophobicContact CD2-CD1 4.03Å; L964-L1071 HydrophobicContact CD2-CD2 4.04Å; L964-L1071 HydrophobicContact CD2-CG 3.8Å
965K90Very high90.6Very high162 Ų16252.3 Ų52.370%0.70427%0.266SS*.THydrogen-bonded Turntrans-85.3-10.6175.1-75.1172.9-178.2176.70113.8K961 T962 I963 I967K961-K965 VanDerWaalsContact O-CG 3.3Å; K961-K965 WeakPolarHBondContact O-CG 3.47Å; K961-K965 PolarHBondContact O-N 3.36Å; T962-K965 PolarHBondContact O-N 2.86Å; I963-K965 PolarHBondContact O-N 3.23Å; I963-K965 VanDerWaalsContact O-N 3.13Å; K965-I967 PolarHBondContact O-N 3.39Å
966L89Confident90.3Very high15 Ų1554.7 Ų54.78%0.07928%0.277CS..  trans-66.5130.8178.5-72.9168.6000110.5G905 F906 I963 I969 I977 A1074G905-L966 WeakPolarHBondContact O-CD2 3.43Å; F906-L966 HydrophobicContact CB-CD1 4.26Å; F906-L966 HydrophobicContact CB-CD2 4.47Å; I963-L966 HydrophobicContact CG2-CD1 4.43Å; I963-L966 VanDerWaalsContact O-CB 3.31Å; I963-L966 WeakPolarHBondContact O-CB 3.17Å; I963-L966 PolarHBondContact O-N 2.96Å; L966-I969 HydrophobicContact CB-CD1 4Å; L966-I969 HydrophobicContact CB-CG1 3.88Å; L966-I969 HydrophobicContact CD1-CD1 3.83Å; L966-I969 HydrophobicContact CD1-CG1 3.93Å; L966-I969 HydrophobicContact CG-CG1 4.46Å; L966-I977 HydrophobicContact CD1-CD1 4.01Å; L966-A1074 WeakPolarHBondContact O-CB 3.4Å
967I84.8Confident90.2Very high139 Ų13954.7 Ų54.771%0.71328%0.277SS*.SBendtrans-87.3-44.3-177.6-60.2172.7000111K965 A1074K965-I967 PolarHBondContact O-N 3.39Å; I967-A1074 WeakPolarHBondContact O-CA 3.33Å; I967-A1074 WeakPolarHBondContact O-CB 3.25Å
968D84.6Confident90.1Very high128 Ų12854.7 Ų54.768%0.68428%0.275SS*.  trans-137.8133179.1-67.3-47.5000108.6
969I87.6Confident90Very high12 Ų1257.7 Ų57.76%0.06229%0.292CS..  trans-123.4113179.5-59.7171.3000107.3L966 D973 C974 I977 L1037 A1074 L1075L966-I969 HydrophobicContact CB-CD1 4Å; L966-I969 HydrophobicContact CB-CG1 3.88Å; L966-I969 HydrophobicContact CD1-CD1 3.83Å; L966-I969 HydrophobicContact CD1-CG1 3.93Å; L966-I969 HydrophobicContact CG-CG1 4.46Å; I969-D973 HydrophobicContact CG2-CB 4.22Å; I969-C974 HydrophobicContact CG2-CB 3.83Å; I969-I977 HydrophobicContact CG2-CD1 4.43Å; I969-L1037 HydrophobicContact CD1-CD2 4.36Å; I969-A1074 HydrophobicContact CD1-CB 3.97Å; I969-A1074 HydrophobicContact CG1-CB 4.03Å; I969-A1074 PolarHBondContact N-O 3.32Å; I969-L1075 HydrophobicContact CB-CD2 4.03Å; I969-L1075 HydrophobicContact CD1-CD2 4.14Å; I969-L1075 HydrophobicContact CD1-CG 4.43Å; I969-L1075 HydrophobicContact CG2-CD2 3.96Å
970T87.5Confident90Very high74 Ų7458.3 Ų58.345%0.45430%0.295SS..  trans-71.4158.6173.574.30000110.3S972 D973 C974T970-S972 VanDerWaalsContact C-N 3.25Å; T970-S972 PolarHBondContact O-N 3.34Å; T970-D973 WeakPolarHBondContact CB-OD2 3.35Å; T970-D973 WeakPolarHBondContact CG2-OD2 3.23Å; T970-D973 PolarHBondContact N-OD2 3.06Å; T970-D973 PolarHBondContact O-N 2.97Å; T970-D973 PolarHBondContact OG1-N 2.83Å; T970-D973 VanDerWaalsContact OG1-N 3.13Å; T970-D973 PolarHBondContact OG1-OD2 3.18Å; T970-C974 PolarHBondContact O-N 3.31Å
971K84.7Confident90Very high173 Ų17358 Ų5875%0.75229%0.294SS*.Hα-helixtrans-56.3-41.6176.5-174.3169.9-177.4172.80112.4D973 C974 D975K971-D973 VanDerWaalsContact C-N 3.33Å; K971-D973 PolarHBondContact O-N 3.45Å; K971-C974 WeakPolarHBondContact O-CB 3.34Å; K971-C974 PolarHBondContact O-N 3.4Å; K971-D975 PolarHBondContact O-N 2.79Å; K971-D975 VanDerWaalsContact O-N 3.08Å
972S87.1Confident90.2Very high54 Ų5456.6 Ų56.638%0.37829%0.288SS..Hα-helixtrans-66.6-34.7176.5-178.10000112.6S910 T970 H976S910-S972 WeakPolarHBondContact CB-OG 3.32Å; T970-S972 VanDerWaalsContact C-N 3.25Å; T970-S972 PolarHBondContact O-N 3.34Å; S972-H976 PolarHBondContact O-N 2.82Å; S972-H976 PolarHBondContact O-ND1 3.31Å; S972-H976 VanDerWaalsContact O-ND1 3.1Å
973D89.3Confident90.3Very high17 Ų1758 Ų589%0.09130%0.299CS..Hα-helixtrans-68.6-41.3175-62.7-42.1000110.8I909 S910 I969 T970 K971 D975 H976 I977I909-D973 HydrophobicContact CG2-CB 3.55Å; I909-D973 WeakPolarHBondContact CG2-OD1 3.31Å; S910-D973 WeakPolarHBondContact CA-OD1 3.17Å; S910-D973 WeakPolarHBondContact CB-OD1 3.38Å; S910-D973 PolarHBondContact N-OD1 3.04Å; S910-D973 PolarHBondContact OG-OD1 3.13Å; I969-D973 HydrophobicContact CG2-CB 4.22Å; T970-D973 WeakPolarHBondContact CB-OD2 3.35Å; T970-D973 WeakPolarHBondContact CG2-OD2 3.23Å; T970-D973 PolarHBondContact N-OD2 3.06Å; T970-D973 PolarHBondContact O-N 2.97Å; T970-D973 PolarHBondContact OG1-N 2.83Å; T970-D973 VanDerWaalsContact OG1-N 3.13Å; T970-D973 PolarHBondContact OG1-OD2 3.18Å; K971-D973 VanDerWaalsContact C-N 3.33Å; K971-D973 PolarHBondContact O-N 3.45Å; D973-D975 PolarHBondContact O-N 3.37Å; D973-H976 PolarHBondContact O-N 3.46Å; D973-I977 WeakPolarHBondContact O-CB 3.46Å; D973-I977 VanDerWaalsContact O-CG1 3.24Å; D973-I977 WeakPolarHBondContact O-CG1 3.45Å; D973-I977 PolarHBondContact O-N 2.97Å
974C90.2Very high90.4Very high10 Ų1058 Ų587%0.06830%0.299CS..Hα-helixtrans-58.1-47.7177.6-167.70000112.1I969 T970 K971 H976 I977 L978 L1037 L1075I969-C974 HydrophobicContact CG2-CB 3.83Å; T970-C974 PolarHBondContact O-N 3.31Å; K971-C974 WeakPolarHBondContact O-CB 3.34Å; K971-C974 PolarHBondContact O-N 3.4Å; C974-H976 VanDerWaalsContact C-N 3.33Å; C974-H976 PolarHBondContact O-N 3.03Å; C974-I977 PolarHBondContact O-N 2.81Å; C974-L978 WeakPolarHBondContact O-CB 3.17Å; C974-L978 WeakPolarHBondContact O-CG 3.31Å; C974-L978 PolarHBondContact O-N 3.22Å; C974-L1037 PolarHBondContact SG-O 3.19Å; C974-L1075 HydrophobicContact CB-CD2 4.49Å
975D90.3Very high90.6Very high82 Ų8258.1 Ų58.144%0.43930%0.298SS..Hα-helixtrans-60.7-41.6179.8-67.2-27.2000111.6K971 D973 I979K971-D975 PolarHBondContact O-N 2.79Å; K971-D975 VanDerWaalsContact O-N 3.08Å; D973-D975 PolarHBondContact O-N 3.37Å; D975-I979 WeakPolarHBondContact O-CG1 3.29Å; D975-I979 PolarHBondContact O-N 2.91Å
976H91Very high90.7Very high50 Ų5054.5 Ų54.523%0.23129%0.287CS..Hα-helixtrans-70.3-41.1176.5-65.6139.6000112.9I909 N915 S972 D973 C974 L978 I979 L980I909-H976 HydrophobicContact CD1-CB 3.76Å; I909-H976 HydrophobicContact CG1-CB 3.9Å; I909-H976 HydrophobicContact CG2-CB 4.35Å; N915-H976 PolarHBondContact ND2-CD2 3.31Å; N915-H976 VanDerWaalsContact ND2-CD2 3.26Å; N915-H976 PolarHBondContact ND2-NE2 2.88Å; S972-H976 PolarHBondContact O-N 2.82Å; S972-H976 PolarHBondContact O-ND1 3.31Å; S972-H976 VanDerWaalsContact O-ND1 3.1Å; D973-H976 PolarHBondContact O-N 3.46Å; C974-H976 VanDerWaalsContact C-N 3.33Å; C974-H976 PolarHBondContact O-N 3.03Å; H976-L978 VanDerWaalsContact C-N 3.32Å; H976-L978 PolarHBondContact O-N 3.14Å; H976-I979 PolarHBondContact O-N 3.38Å; H976-L980 WeakPolarHBondContact O-CG 3.4Å; H976-L980 PolarHBondContact O-N 3.36Å
977I93Very high91Very high1 Ų154.6 Ų54.61%0.00529%0.288CS..Hα-helixtrans-59.3-46.9175.6-70.1166.4000109.5F906 I909 L966 I969 D973 C974 I979 L980 L981 L1037F906-I977 HydrophobicContact CB-CD1 4.15Å; F906-I977 HydrophobicContact CB-CG1 4.34Å; F906-I977 HydrophobicContact CD1-CG1 4.05Å; F906-I977 HydrophobicContact CG-CD1 4.46Å; F906-I977 HydrophobicContact CG-CG1 4.26Å; I909-I977 HydrophobicContact CD1-CG1 4.06Å; I909-I977 HydrophobicContact CG2-CD1 4.45Å; I909-I977 HydrophobicContact CG2-CG1 4.17Å; L966-I977 HydrophobicContact CD1-CD1 4.01Å; I969-I977 HydrophobicContact CG2-CD1 4.43Å; D973-I977 WeakPolarHBondContact O-CB 3.46Å; D973-I977 VanDerWaalsContact O-CG1 3.24Å; D973-I977 WeakPolarHBondContact O-CG1 3.45Å; D973-I977 PolarHBondContact O-N 2.97Å; C974-I977 PolarHBondContact O-N 2.81Å; I977-I979 VanDerWaalsContact C-N 3.35Å; I977-I979 PolarHBondContact O-N 3.42Å; I977-L980 PolarHBondContact O-N 3.43Å; I977-L980 VanDerWaalsContact O-N 3.14Å; I977-L981 HydrophobicContact CG2-CD1 3.62Å; I977-L981 HydrophobicContact CG2-CG 3.95Å; I977-L981 VanDerWaalsContact O-CG 3.32Å; I977-L981 WeakPolarHBondContact O-CG 3.47Å; I977-L981 PolarHBondContact O-N 3.29Å; I977-L1037 HydrophobicContact CG2-CD1 3.88Å
978L93.6Very high91.4Very high28 Ų2848 Ų4815%0.14725%0.254CS..Hα-helixtrans-55.6-46.5178.8-81172.5000112.8C974 H976 L980 L981 E982 I1034 L1037 S1038C974-L978 WeakPolarHBondContact O-CB 3.17Å; C974-L978 WeakPolarHBondContact O-CG 3.31Å; C974-L978 PolarHBondContact O-N 3.22Å; H976-L978 VanDerWaalsContact C-N 3.32Å; H976-L978 PolarHBondContact O-N 3.14Å; L978-L980 VanDerWaalsContact C-N 3.3Å; L978-L980 PolarHBondContact O-N 3.41Å; L978-L981 PolarHBondContact O-N 3.25Å; L978-E982 VanDerWaalsContact O-CB 3.32Å; L978-E982 WeakPolarHBondContact O-CB 3.43Å; L978-E982 PolarHBondContact O-N 2.91Å; L978-I1034 HydrophobicContact CD2-CG2 4.07Å; L978-L1037 HydrophobicContact CD1-CB 4.27Å; L978-L1037 HydrophobicContact CD2-CB 3.47Å; L978-L1037 VanDerWaalsContact CD2-CB 3.47Å; L978-L1037 HydrophobicContact CD2-CD1 4.27Å; L978-L1037 HydrophobicContact CG-CB 3.88Å; L978-S1038 VanDerWaalsContact CD2-OG 3.22Å; L978-S1038 WeakPolarHBondContact CD2-OG 3.4Å
979I92.6Very high91.7Very high116 Ų11643.1 Ų43.160%0.59523%0.232SC*.Hα-helixtrans-58.4-44.3178.2-67.3164.6000110.9D975 H976 I977 S983D975-I979 WeakPolarHBondContact O-CG1 3.29Å; D975-I979 PolarHBondContact O-N 2.91Å; H976-I979 PolarHBondContact O-N 3.38Å; I977-I979 VanDerWaalsContact C-N 3.35Å; I977-I979 PolarHBondContact O-N 3.42Å; I979-S983 WeakPolarHBondContact O-CB 3.2Å; I979-S983 PolarHBondContact O-N 3.28Å; I979-S983 VanDerWaalsContact O-N 3.09Å
980L93.8Very high91.8Very high12 Ų1247.6 Ų47.66%0.06325%0.252CS..Hα-helixtrans-69.8-42.2-178.8-65.8179.8000112.8F906 I909 C918 T919 I922 H976 I977 L978 S983 I984F906-L980 HydrophobicContact CE1-CD1 4.25Å; I909-L980 HydrophobicContact CD1-CD1 3.59Å; C918-L980 HydrophobicContact CB-CD1 3.81Å; T919-L980 HydrophobicContact CG2-CD2 4.19Å; I922-L980 HydrophobicContact CB-CD2 4.32Å; I922-L980 HydrophobicContact CG1-CB 4.25Å; I922-L980 HydrophobicContact CG1-CD1 4.25Å; I922-L980 HydrophobicContact CG1-CD2 4.47Å; I922-L980 HydrophobicContact CG2-CB 4.41Å; I922-L980 HydrophobicContact CG2-CD2 4.29Å; H976-L980 WeakPolarHBondContact O-CG 3.4Å; H976-L980 PolarHBondContact O-N 3.36Å; I977-L980 PolarHBondContact O-N 3.43Å; I977-L980 VanDerWaalsContact O-N 3.14Å; L978-L980 VanDerWaalsContact C-N 3.3Å; L978-L980 PolarHBondContact O-N 3.41Å; L980-S983 WeakPolarHBondContact O-CB 3.5Å; L980-S983 PolarHBondContact O-N 3.47Å; L980-I984 PolarHBondContact O-N 3.19Å; L980-I984 VanDerWaalsContact O-N 3.14Å
981L95.1Very high92Very high0 Ų044.7 Ų44.70%023%0.233CC..Hα-helixtrans-68.7-39178.9-61.1-179.2000111.8F906 L959 I963 I977 L978 S983 I984 K985 L1030 I1034 L1037F906-L981 HydrophobicContact CZ-CD2 4.34Å; L959-L981 HydrophobicContact CD1-CD2 4.35Å; L959-L981 HydrophobicContact CD2-CD2 4.4Å; I963-L981 HydrophobicContact CD1-CD1 3.34Å; I963-L981 HydrophobicContact CD1-CD2 3.86Å; I963-L981 HydrophobicContact CD1-CG 4.21Å; I963-L981 HydrophobicContact CG1-CD1 4.45Å; I977-L981 HydrophobicContact CG2-CD1 3.62Å; I977-L981 HydrophobicContact CG2-CG 3.95Å; I977-L981 VanDerWaalsContact O-CG 3.32Å; I977-L981 WeakPolarHBondContact O-CG 3.47Å; I977-L981 PolarHBondContact O-N 3.29Å; L978-L981 PolarHBondContact O-N 3.25Å; L981-S983 VanDerWaalsContact C-N 3.28Å; L981-S983 PolarHBondContact O-N 2.98Å; L981-I984 PolarHBondContact O-N 3.11Å; L981-K985 VanDerWaalsContact O-CB 3.25Å; L981-K985 WeakPolarHBondContact O-CB 3.47Å; L981-K985 PolarHBondContact O-N 3Å; L981-L1030 HydrophobicContact CB-CD1 4.48Å; L981-L1030 HydrophobicContact CD1-CD1 4.23Å; L981-L1030 HydrophobicContact CD2-CD1 4.09Å; L981-L1030 HydrophobicContact CG-CD1 4.48Å; L981-I1034 HydrophobicContact CB-CD1 3.92Å; L981-I1034 HydrophobicContact CB-CG1 3.87Å; L981-I1034 HydrophobicContact CD1-CG1 4.18Å; L981-L1037 HydrophobicContact CD1-CD1 3.96Å
982E95.6Very high92.2Very high63 Ų6336.5 Ų36.529%0.29420%0.198SC..Hα-helixtrans-66.4-34.6176.4-162.763.2-162.600111.1L978 K985 N986L978-E982 VanDerWaalsContact O-CB 3.32Å; L978-E982 WeakPolarHBondContact O-CB 3.43Å; L978-E982 PolarHBondContact O-N 2.91Å; E982-K985 IonicContact OE1-NZ 3.96Å; E982-K985 PolarHBondContact OE1-NZ 3.39Å; E982-K985 WeakPolarHBondContact OE2-CD 3.37Å; E982-K985 IonicContact OE2-NZ 2.77Å; E982-K985 PolarHBondContact OE2-NZ 3.47Å; E982-N986 WeakPolarHBondContact O-CB 3.22Å; E982-N986 PolarHBondContact O-N 3.46Å; E982-N986 PolarHBondContact O-ND2 3.19Å
983S94.1Very high92Very high54 Ų5439.7 Ų39.738%0.37821%0.205SC..Hα-helixtrans-59.6-54.21721790000111.9I979 L980 L981 K985 N986 T987I979-S983 WeakPolarHBondContact O-CB 3.2Å; I979-S983 PolarHBondContact O-N 3.28Å; I979-S983 VanDerWaalsContact O-N 3.09Å; L980-S983 WeakPolarHBondContact O-CB 3.5Å; L980-S983 PolarHBondContact O-N 3.47Å; L981-S983 VanDerWaalsContact C-N 3.28Å; L981-S983 PolarHBondContact O-N 2.98Å; S983-K985 VanDerWaalsContact C-N 3.35Å; S983-K985 PolarHBondContact O-N 3.16Å; S983-N986 PolarHBondContact O-N 3.39Å; S983-T987 PolarHBondContact O-N 3.37Å; S983-T987 VanDerWaalsContact O-N 3.11Å; S983-T987 PolarHBondContact O-OG1 3.01Å
984I94.9Very high90.7Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-61.3-42.7178.2-94.3177.3000112.1I922 C926 V955 L959 L980 L981 N986 T987 I988 L1030I922-I984 HydrophobicContact CB-CD1 4.48Å; I922-I984 HydrophobicContact CD1-CD1 3.45Å; I922-I984 VanDerWaalsContact CD1-CD1 3.45Å; I922-I984 HydrophobicContact CG2-CD1 3.8Å; I922-I984 HydrophobicContact CG2-CG1 3.84Å; C926-I984 WeakPolarHBondContact SG-CG1 3.31Å; V955-I984 HydrophobicContact CG1-CD1 4.28Å; V955-I984 HydrophobicContact CG1-CG2 4.43Å; L959-I984 HydrophobicContact CD1-CD1 3.74Å; L959-I984 HydrophobicContact CD1-CG2 3.87Å; L980-I984 PolarHBondContact O-N 3.19Å; L980-I984 VanDerWaalsContact O-N 3.14Å; L981-I984 PolarHBondContact O-N 3.11Å; I984-N986 VanDerWaalsContact C-N 3.32Å; I984-N986 PolarHBondContact O-N 3.31Å; I984-T987 WeakPolarHBondContact O-CB 3.44Å; I984-T987 PolarHBondContact O-N 3.07Å; I984-I988 HydrophobicContact CG2-CD1 3.74Å; I984-I988 HydrophobicContact CG2-CG1 4.39Å; I984-I988 WeakPolarHBondContact O-CG1 3.32Å; I984-I988 PolarHBondContact O-N 2.83Å; I984-L1030 HydrophobicContact CG2-CD2 4.29Å
985K94Very high89.1Confident30 Ų3045 Ų4513%0.1324%0.242CC..Hα-helixtrans-59.1-45.5179.3174-167.6146.4-166.20111.2L981 E982 S983 I988 A989 F1027 I1034L981-K985 VanDerWaalsContact O-CB 3.25Å; L981-K985 WeakPolarHBondContact O-CB 3.47Å; L981-K985 PolarHBondContact O-N 3Å; E982-K985 IonicContact OE1-NZ 3.96Å; E982-K985 PolarHBondContact OE1-NZ 3.39Å; E982-K985 WeakPolarHBondContact OE2-CD 3.37Å; E982-K985 IonicContact OE2-NZ 2.77Å; E982-K985 PolarHBondContact OE2-NZ 3.47Å; S983-K985 VanDerWaalsContact C-N 3.35Å; S983-K985 PolarHBondContact O-N 3.16Å; K985-I988 PolarHBondContact O-N 2.91Å; K985-A989 WeakPolarHBondContact O-CB 3.41Å; K985-A989 PolarHBondContact O-N 2.87Å; K985-F1027 HydrophobicContact CG-CE2 3.78Å; K985-F1027 HydrophobicContact CG-CZ 3.79Å; K985-I1034 HydrophobicContact CB-CD1 4.25Å; K985-I1034 HydrophobicContact CD-CD1 3.77Å
986N93.3Very high87Confident87 Ų8748.6 Ų48.647%0.46526%0.256SS..Hα-helixtrans-63.5-42.5178.9-73.8-32.9000111.7E982 S983 I984 A989 E990E982-N986 WeakPolarHBondContact O-CB 3.22Å; E982-N986 PolarHBondContact O-N 3.46Å; E982-N986 PolarHBondContact O-ND2 3.19Å; S983-N986 PolarHBondContact O-N 3.39Å; I984-N986 VanDerWaalsContact C-N 3.32Å; I984-N986 PolarHBondContact O-N 3.31Å; N986-A989 PolarHBondContact O-N 3.27Å; N986-E990 PolarHBondContact O-N 3.04Å; N986-E990 VanDerWaalsContact O-N 3.07Å
987T93.8Very high84.5Confident17 Ų1751.5 Ų51.510%0.10428%0.277CS..Hα-helixtrans-59.4-47.3173.1-64.80000111.8C926 H930 S983 I984 A989 E990 F991C926-T987 HydrophobicContact CB-CG2 4.25Å; H930-T987 WeakPolarHBondContact NE2-CG2 2.94Å; S983-T987 PolarHBondContact O-N 3.37Å; S983-T987 VanDerWaalsContact O-N 3.11Å; S983-T987 PolarHBondContact O-OG1 3.01Å; I984-T987 WeakPolarHBondContact O-CB 3.44Å; I984-T987 PolarHBondContact O-N 3.07Å; T987-A989 PolarHBondContact O-N 3Å; T987-E990 WeakPolarHBondContact O-CB 3.41Å; T987-E990 PolarHBondContact O-N 3.13Å; T987-F991 HydrophobicContact CG2-CE2 3.65Å; T987-F991 HydrophobicContact CG2-CZ 3.73Å; T987-F991 WeakPolarHBondContact O-CD2 3.38Å; T987-F991 WeakPolarHBondContact O-CE2 3.04Å
988I93.7Very high82Confident0 Ų055 Ų550%030%0.299CS..Hα-helixtrans-62.5-45.3178.8-68.9173.4000110.9L929 C952 C956 I984 K985 E990 F991 F992 L1020 F1027L929-I988 HydrophobicContact CD1-CG1 4.38Å; C952-I988 HydrophobicContact CB-CD1 4.25Å; C952-I988 HydrophobicContact CB-CG1 4.23Å; C952-I988 HydrophobicContact CB-CG2 3.88Å; C956-I988 VanDerWaalsContact SG-CD1 3.56Å; I984-I988 HydrophobicContact CG2-CD1 3.74Å; I984-I988 HydrophobicContact CG2-CG1 4.39Å; I984-I988 WeakPolarHBondContact O-CG1 3.32Å; I984-I988 PolarHBondContact O-N 2.83Å; K985-I988 PolarHBondContact O-N 2.91Å; I988-E990 PolarHBondContact O-N 2.7Å; I988-F991 PolarHBondContact O-N 2.9Å; I988-F992 HydrophobicContact CG2-CE2 4.34Å; I988-F992 VanDerWaalsContact O-CD2 3.31Å; I988-F992 WeakPolarHBondContact O-CD2 3.49Å; I988-L1020 HydrophobicContact CG2-CD2 4.49Å; I988-F1027 HydrophobicContact CB-CD2 4.3Å; I988-F1027 HydrophobicContact CB-CE2 4.13Å; I988-F1027 HydrophobicContact CG2-CD2 3.67Å; I988-F1027 HydrophobicContact CG2-CE2 3.85Å
989A90.6Very high79.4Confident25 Ų2557.8 Ų57.821%0.20731%0.311CS..Hα-helixtrans-61.9-30.9179.300000112.6K985 N986 T987 F992 F1027K985-A989 WeakPolarHBondContact O-CB 3.41Å; K985-A989 PolarHBondContact O-N 2.87Å; N986-A989 PolarHBondContact O-N 3.27Å; T987-A989 PolarHBondContact O-N 3Å; A989-F992 PolarHBondContact O-N 3.22Å; A989-F1027 HydrophobicContact CB-CZ 4.24Å
990E90.3Very high76.5Confident107 Ų10760.2 Ų60.250%0.532%0.319SS..Hα-helixtrans-62.1-41177.1-167.9178.4172.900112.7N986 T987 I988 F992 K993N986-E990 PolarHBondContact O-N 3.04Å; N986-E990 VanDerWaalsContact O-N 3.07Å; T987-E990 WeakPolarHBondContact O-CB 3.41Å; T987-E990 PolarHBondContact O-N 3.13Å; I988-E990 PolarHBondContact O-N 2.7Å; E990-F992 PolarHBondContact O-N 3.23Å; E990-F992 VanDerWaalsContact O-N 3.17Å; E990-K993 PolarHBondContact O-N 3.46Å
991F91.3Very high73.4Confident13 Ų1364 Ų646%0.05735%0.347CS..Hα-helixtrans-65.1-20.9-177.4-60-50.4000114.8L929 H930 S933 M948 T987 I988L929-F991 HydrophobicContact CB-CE2 3.8Å; L929-F991 HydrophobicContact CB-CZ 3.97Å; H930-F991 HydrophobicContact CB-CZ 4.46Å; H930-F991 AromaticContact CE1-CE1 3.7Å; H930-F991 AromaticContact CE1-CZ 3.77Å; H930-F991 AromaticContact CG-CZ 3.82Å; H930-F991 AromaticContact ND1-CE1 3.35Å; H930-F991 WeakPolarHBondContact ND1-CE1 3.35Å; H930-F991 AromaticContact ND1-CZ 3.58Å; S933-F991 WeakPolarHBondContact OG-CD1 3.35Å; M948-F991 HydrophobicContact CE-CD1 4.37Å; M948-F991 HydrophobicContact CE-CD2 3.5Å; M948-F991 HydrophobicContact CE-CE1 4.38Å; M948-F991 HydrophobicContact CE-CE2 3.53Å; M948-F991 HydrophobicContact CE-CG 3.97Å; M948-F991 HydrophobicContact CE-CZ 3.99Å; M948-F991 HydrophobicContact CG-CB 4.15Å; M948-F991 HydrophobicContact CG-CD2 4.46Å; M948-F991 HydrophobicContact CG-CG 4.37Å; T987-F991 HydrophobicContact CG2-CE2 3.65Å; T987-F991 HydrophobicContact CG2-CZ 3.73Å; T987-F991 WeakPolarHBondContact O-CD2 3.38Å; T987-F991 WeakPolarHBondContact O-CE2 3.04Å; I988-F991 PolarHBondContact O-N 2.9Å
992F88.5Confident70.2Confident1 Ų170.5 Ų70.50%0.00439%0.387CS..THydrogen-bonded Turntrans-102.3-0.6-179-65.3-94000113F945 M948 I988 A989 E990 L1020 R1023F945-F992 HydrophobicContact CB-CE1 4.46Å; F945-F992 AromaticContact CD1-CD1 3.79Å; F945-F992 HydrophobicContact CD1-CD1 3.79Å; F945-F992 HydrophobicContact CD1-CE1 4.11Å; F945-F992 HydrophobicContact CE1-CD1 4.32Å; M948-F992 HydrophobicContact CB-CZ 4.39Å; I988-F992 HydrophobicContact CG2-CE2 4.34Å; I988-F992 VanDerWaalsContact O-CD2 3.31Å; I988-F992 WeakPolarHBondContact O-CD2 3.49Å; A989-F992 PolarHBondContact O-N 3.22Å; E990-F992 PolarHBondContact O-N 3.23Å; E990-F992 VanDerWaalsContact O-N 3.17Å; F992-L1020 HydrophobicContact CB-CD2 3.93Å; F992-L1020 HydrophobicContact CB-CG 3.98Å; F992-L1020 HydrophobicContact CD1-CD2 4.2Å; F992-L1020 HydrophobicContact CD2-CD2 3.33Å; F992-L1020 HydrophobicContact CD2-CG 4.3Å; F992-L1020 HydrophobicContact CE2-CD2 3.84Å; F992-L1020 HydrophobicContact CG-CD2 3.55Å; F992-L1020 HydrophobicContact CG-CG 4.04Å; F992-L1020 HydrophobicContact CZ-CD2 4.46Å; F992-R1023 HydrophobicContact CE1-CB 4.01Å
993K82.6Confident67.2Low121 Ų12170.8 Ų70.853%0.52640%0.4SS..SBendtrans-67.3144.2170.4-69.7174.7-173171.40109.3E990 S995E990-K993 PolarHBondContact O-N 3.46Å; K993-S995 VanDerWaalsContact C-N 3.33Å; K993-S995 PolarHBondContact O-N 3.35Å
994P61.9Low64Low64 Ų6478.2 Ų78.242%0.41643%0.425SS..  trans-65.596172.2-10.125000108.4E996 F1014 T1016P994-E996 PolarHBondContact O-N 2.6Å; P994-F1014 HydrophobicContact CG-CB 4.34Å; P994-T1016 HydrophobicContact CG-CG2 4.47Å
995S56.6Low60.8Low74 Ų7485.7 Ų85.752%0.51746%0.46SS..  trans-74.2125.2171-170.10000108.6K993 V997K993-S995 VanDerWaalsContact C-N 3.33Å; K993-S995 PolarHBondContact O-N 3.35Å; S995-V997 PolarHBondContact O-N 2.67Å; S995-V997 WeakPolarHBondContact OG-CG2 3.33Å
996E46Very low57.7Low157 Ų15790.5 Ų90.573%0.73449%0.494SS*.SBendtrans-71.9-2.1173.2-69.7-176159.800112.6P994P994-E996 PolarHBondContact O-N 2.6Å
997V39.9Very low54.6Low111 Ų11192.3 Ų92.367%0.67350%0.503SS*.SBendtrans-92.2-8.2-157.2-168.80000115.5S995S995-V997 PolarHBondContact O-N 2.67Å; S995-V997 WeakPolarHBondContact OG-CG2 3.33Å
998V40.2Very low51.6Low76 Ų7695.5 Ų95.546%0.46153%0.526SS..SBendtrans-116.9-15.3-175.7-171.70000115.1
999H39.6Very low48.6Very low86 Ų86105.4 Ų105.440%0.39857%0.569SS.*  trans-117.763.7176.9-56.5-71.9000110.6S1001H999-S1001 PolarHBondContact O-N 3.48Å
1000Q30.4Very low45.8Very low166 Ų166109 Ų10978%0.77659%0.593SS**  trans-68.984.9165.2-77.8-176.4-200108.8T1002Q1000-T1002 PolarHBondContact O-N 2.81Å
1001S29.9Very low43.1Very low93 Ų93109 Ų10965%0.6559%0.592SS**  trans-63.5112.6153.6178.40000106.9H999 A1003H999-S1001 PolarHBondContact O-N 3.48Å; S1001-A1003 PolarHBondContact O-N 2.91Å; S1001-A1003 VanDerWaalsContact O-N 3.09Å
1002T27.9Very low40.5Very low135 Ų135115.1 Ų115.183%0.82862%0.621SS**  trans-70.67.6175.442.90000113.2Q1000 K1004Q1000-T1002 PolarHBondContact O-N 2.81Å; T1002-K1004 PolarHBondContact O-N 2.92Å
1003A31.1Very low38Very low69 Ų69122.9 Ų122.957%0.5766%0.663SS**  trans-84.296.3171.900000110S1001 E1005S1001-A1003 PolarHBondContact O-N 2.91Å; S1001-A1003 VanDerWaalsContact O-N 3.09Å; A1003-E1005 PolarHBondContact O-N 3.32Å
1004K27.4Very low36.4Very low211 Ų211123 Ų12392%0.91766%0.664SS**  trans-66.476.5165.3-69.7177.9177.7175.30109.8T1002T1002-K1004 PolarHBondContact O-N 2.92Å
1005E27.3Very low36.4Very low157 Ų157123.5 Ų123.573%0.73466%0.663SS**  trans-114130.9158.9-76.8-164.4159.700109.9A1003 I1007A1003-E1005 PolarHBondContact O-N 3.32Å; E1005-I1007 VanDerWaalsContact C-N 3.28Å; E1005-I1007 PolarHBondContact O-N 3.37Å
1006P29.2Very low36.8Very low130 Ų130122 Ų12284%0.84465%0.651SS**  trans-77.881.2-174.332.7-32.8000109.1S1008P1006-S1008 PolarHBondContact O-N 3.41Å
1007I29.3Very low38.1Very low126 Ų126118.8 Ų118.865%0.64664%0.638SS**  trans-69.4127.3171.9-56.9172.1000108E1005E1005-I1007 VanDerWaalsContact C-N 3.28Å; E1005-I1007 PolarHBondContact O-N 3.37Å
1008S30.3Very low39.8Very low83 Ų83119.6 Ų119.658%0.5864%0.635SS**  trans-36.5131.9-177.3-39.30000114P1006 S1010 Q1011P1006-S1008 PolarHBondContact O-N 3.41Å; S1008-S1010 PolarHBondContact O-N 2.94Å; S1008-Q1011 PolarHBondContact O-N 2.86Å
1009K30.1Very low41.6Very low208 Ų208117.8 Ų117.890%0.90462%0.623SS**THydrogen-bonded Turntrans-56.51.2176-67.9179.9175.9179.50115.6
1010S32.4Very low43.7Very low102 Ų102114 Ų11471%0.71361%0.605SS**THydrogen-bonded Turntrans-81.9-16.517949.30000114.3S1008S1008-S1010 PolarHBondContact O-N 2.94Å
1011Q33.8Very low46Very low105 Ų105109.7 Ų109.749%0.49159%0.59SS.*SBendtrans-92.43.5-176.4-75.7-177.8-20.700115.2S1008S1008-Q1011 PolarHBondContact O-N 2.86Å
1012Q36.1Very low48.5Very low143 Ų143114.2 Ų114.267%0.66859%0.593SS**  trans-97.53.9-172.6-100.7-170.5-11.100116.7F1014Q1012-F1014 PolarHBondContact O-N 3.46Å; Q1012-F1014 VanDerWaalsContact O-N 3.07Å
1013N35.4Very low51.3Low163 Ų163110.5 Ų110.587%0.87256%0.564SS**  trans-86.159.4171.3-82.5-8.7000111.1N1015N1013-N1015 PolarHBondContact O-N 3.28Å
1014F49.2Very low54.1Low125 Ų125107.2 Ų107.255%0.54854%0.537SS..  trans-66.1107.6162.4-89.5-84000107.8P994 Q1012 T1016P994-F1014 HydrophobicContact CG-CB 4.34Å; Q1012-F1014 PolarHBondContact O-N 3.46Å; Q1012-F1014 VanDerWaalsContact O-N 3.07Å; F1014-T1016 VanDerWaalsContact C-N 3.33Å; F1014-T1016 PolarHBondContact O-N 3.28Å
1015N62Low57Low73 Ų73100.7 Ų100.739%0.3952%0.516SS..  trans-70.991.5-178.2-155.60.2000108.6N1013 N1017 E1018 L1019N1013-N1015 PolarHBondContact O-N 3.28Å; N1015-N1017 PolarHBondContact O-N 3.26Å; N1015-E1018 HydrophobicContact CB-CB 4.34Å; N1015-E1018 HydrophobicContact CB-CG 4.16Å; N1015-E1018 PolarHBondContact ND2-OE1 2.9Å; N1015-E1018 PolarHBondContact O-N 3.25Å; N1015-L1019 PolarHBondContact O-N 3.37Å
1016T66.5Low60.1Low44 Ų4494.6 Ų94.627%0.2749%0.489SS..Hα-helixtrans-47.2-33177.949.70000112.6P994 F1014 L1019 L1020P994-T1016 HydrophobicContact CG-CG2 4.47Å; F1014-T1016 VanDerWaalsContact C-N 3.33Å; F1014-T1016 PolarHBondContact O-N 3.28Å; T1016-L1019 PolarHBondContact O-N 3.1Å; T1016-L1020 WeakPolarHBondContact O-CB 3.46Å; T1016-L1020 WeakPolarHBondContact O-CG 3.24Å; T1016-L1020 PolarHBondContact O-N 3.4Å
1017N71.7Confident63.2Low88 Ų8889.1 Ų89.147%0.47145%0.452SS..Hα-helixtrans-61.1-48.8174.8-68.6-34.2000112.6N1015 L1019 L1020 T1021 Y1028N1015-N1017 PolarHBondContact O-N 3.26Å; N1017-L1019 VanDerWaalsContact C-N 3.31Å; N1017-L1019 PolarHBondContact O-N 3.48Å; N1017-L1020 PolarHBondContact O-N 2.92Å; N1017-T1021 PolarHBondContact O-N 3.14Å; N1017-T1021 PolarHBondContact O-OG1 3.26Å; N1017-Y1028 WeakPolarHBondContact CA-OH 3.48Å; N1017-Y1028 WeakPolarHBondContact CB-OH 3.25Å; N1017-Y1028 PolarHBondContact O-OH 3.32Å
1018E75.7Confident66.1Low129 Ų12984.9 Ų84.960%0.60343%0.428SS*.Hα-helixtrans-63.3-38.1179.6-74.3167.9-149.800112.3N1015 T1021 R1022N1015-E1018 HydrophobicContact CB-CB 4.34Å; N1015-E1018 HydrophobicContact CB-CG 4.16Å; N1015-E1018 PolarHBondContact ND2-OE1 2.9Å; N1015-E1018 PolarHBondContact O-N 3.25Å; E1018-T1021 PolarHBondContact O-N 3.37Å; E1018-R1022 WeakPolarHBondContact O-CB 3.49Å; E1018-R1022 PolarHBondContact O-N 2.94Å
1019L79Confident69.1Low38 Ų3883 Ų8320%0.19941%0.408CS..Hα-helixtrans-64.3-44.3174.7-73.1173.3000111.6F945 N1015 T1016 N1017 R1022 R1023F945-L1019 HydrophobicContact CE2-CD1 4.31Å; N1015-L1019 PolarHBondContact O-N 3.37Å; T1016-L1019 PolarHBondContact O-N 3.1Å; N1017-L1019 VanDerWaalsContact C-N 3.31Å; N1017-L1019 PolarHBondContact O-N 3.48Å; L1019-R1022 PolarHBondContact O-N 3.44Å; L1019-R1023 VanDerWaalsContact O-CB 3.26Å; L1019-R1023 WeakPolarHBondContact O-CB 3.36Å; L1019-R1023 VanDerWaalsContact O-CG 3.26Å; L1019-R1023 WeakPolarHBondContact O-CG 3.47Å; L1019-R1023 PolarHBondContact O-N 3.2Å
1020L83.1Confident72.2Confident6 Ų673 Ų733%0.03137%0.365CS..Hα-helixtrans-62.1-46.7175.1-79.4167.6000111.1I988 F992 T1016 N1017 R1022 R1023 C1024 F1027 Y1028I988-L1020 HydrophobicContact CG2-CD2 4.49Å; F992-L1020 HydrophobicContact CB-CD2 3.93Å; F992-L1020 HydrophobicContact CB-CG 3.98Å; F992-L1020 HydrophobicContact CD1-CD2 4.2Å; F992-L1020 HydrophobicContact CD2-CD2 3.33Å; F992-L1020 HydrophobicContact CD2-CG 4.3Å; F992-L1020 HydrophobicContact CE2-CD2 3.84Å; F992-L1020 HydrophobicContact CG-CD2 3.55Å; F992-L1020 HydrophobicContact CG-CG 4.04Å; F992-L1020 HydrophobicContact CZ-CD2 4.46Å; T1016-L1020 WeakPolarHBondContact O-CB 3.46Å; T1016-L1020 WeakPolarHBondContact O-CG 3.24Å; T1016-L1020 PolarHBondContact O-N 3.4Å; N1017-L1020 PolarHBondContact O-N 2.92Å; L1020-R1022 VanDerWaalsContact C-N 3.32Å; L1020-R1022 PolarHBondContact O-N 3.38Å; L1020-R1023 PolarHBondContact O-N 3.46Å; L1020-C1024 CarbonylContact O-C 3.52Å; L1020-C1024 WeakPolarHBondContact O-CA 3.48Å; L1020-C1024 PolarHBondContact O-N 3.01Å; L1020-F1027 HydrophobicContact CD1-CD1 4.45Å; L1020-F1027 HydrophobicContact CD1-CE1 4.08Å; L1020-F1027 HydrophobicContact CD1-CZ 4.41Å; L1020-Y1028 HydrophobicContact CB-CE2 4.36Å
1021T79.2Confident75.1Confident76 Ų7670.8 Ų70.847%0.46634%0.343SS..Hα-helixtrans-58.2-45.1178.4-540000111.3N1017 E1018 Y1028N1017-T1021 PolarHBondContact O-N 3.14Å; N1017-T1021 PolarHBondContact O-OG1 3.26Å; E1018-T1021 PolarHBondContact O-N 3.37Å; T1021-Y1028 WeakPolarHBondContact OG1-CE2 3.32Å; T1021-Y1028 PolarHBondContact OG1-OH 3.47Å
1022R81.4Confident77.8Confident188 Ų18866 Ų6671%0.70932%0.322SS*.Hα-helixtrans-73.9-33.3-177.4-172.2177.1-179.9-172.54.1113.3E1018 L1019 L1020E1018-R1022 WeakPolarHBondContact O-CB 3.49Å; E1018-R1022 PolarHBondContact O-N 2.94Å; L1019-R1022 PolarHBondContact O-N 3.44Å; L1020-R1022 VanDerWaalsContact C-N 3.32Å; L1020-R1022 PolarHBondContact O-N 3.38Å
1023R86.6Confident80.6Confident56 Ų5659.2 Ų59.221%0.21129%0.29CS..Hα-helixtrans-103.5-24.5-170.4-58.7-58.8-175.7-167.8-0.2113.9F945 G949 F992 L1019 L1020F945-R1023 HydrophobicContact CB-CG 4.47Å; G949-R1023 CarbonylContact C-O 3.35Å; G949-R1023 VanDerWaalsContact CA-O 3.22Å; G949-R1023 WeakPolarHBondContact CA-O 3.32Å; F992-R1023 HydrophobicContact CE1-CB 4.01Å; L1019-R1023 VanDerWaalsContact O-CB 3.26Å; L1019-R1023 WeakPolarHBondContact O-CB 3.36Å; L1019-R1023 VanDerWaalsContact O-CG 3.26Å; L1019-R1023 WeakPolarHBondContact O-CG 3.47Å; L1019-R1023 PolarHBondContact O-N 3.2Å; L1020-R1023 PolarHBondContact O-N 3.46Å
1024C90.6Very high83.4Confident0 Ų051.8 Ų51.80%025%0.25CS..  trans-138.270.4-178.4-167.60000111.3N953 L1020 D1026 F1027N953-C1024 WeakPolarHBondContact CA-SG 3.43Å; N953-C1024 PolarHBondContact N-SG 3.19Å; N953-C1024 VanDerWaalsContact N-SG 3.36Å; L1020-C1024 CarbonylContact O-C 3.52Å; L1020-C1024 WeakPolarHBondContact O-CA 3.48Å; L1020-C1024 PolarHBondContact O-N 3.01Å; C1024-D1026 VanDerWaalsContact C-N 3.28Å; C1024-D1026 PolarHBondContact O-N 3Å; C1024-F1027 HydrophobicContact CB-CB 4.23Å; C1024-F1027 WeakPolarHBondContact O-CB 3.07Å; C1024-F1027 PolarHBondContact O-N 3.4Å
1025P87.5Confident85.5Confident75 Ų7547.7 Ų47.749%0.48724%0.237SC..THydrogen-bonded Turntrans-53.7-38.9-177.3-27.834.6000114.8N953 F1027 Y1028N953-P1025 VanDerWaalsContact OD1-CD 3.23Å; N953-P1025 WeakPolarHBondContact OD1-CD 3.43Å; N953-P1025 VanDerWaalsContact OD1-N 3.15Å; P1025-F1027 PolarHBondContact O-N 2.92Å; P1025-Y1028 PolarHBondContact O-N 2.87Å
1026D92.9Very high86.9Confident29 Ų2944.2 Ų44.216%0.15522%0.219CC..Hα-helixtrans-74.8-6.3-177.3-66.4-39.1000113.3N953 C956 T957 C1024 R1029 L1030N953-D1026 PolarHBondContact ND2-OD2 3.16Å; N953-D1026 WeakPolarHBondContact OD1-CB 3.49Å; N953-D1026 PolarHBondContact OD1-N 3.09Å; N953-D1026 PolarHBondContact OD1-OD2 3.07Å; C956-D1026 HydrophobicContact CB-CB 3.72Å; T957-D1026 WeakPolarHBondContact CB-OD2 3.43Å; T957-D1026 PolarHBondContact OG1-OD2 2.98Å; C1024-D1026 VanDerWaalsContact C-N 3.28Å; C1024-D1026 PolarHBondContact O-N 3Å; D1026-R1029 WeakPolarHBondContact O-CB 3.46Å; D1026-R1029 PolarHBondContact O-N 2.86Å; D1026-R1029 WeakPolarHBondContact OD1-CD 3.47Å; D1026-L1030 PolarHBondContact O-N 3.04Å
1027F94.1Very high88.1Confident15 Ų1542.7 Ų42.77%0.06621%0.208CC..Hα-helixtrans-60.4-44.3171.7-178.6-99.1000111.8K985 I988 A989 L1020 C1024 P1025 R1029 L1030 Q1031K985-F1027 HydrophobicContact CG-CE2 3.78Å; K985-F1027 HydrophobicContact CG-CZ 3.79Å; I988-F1027 HydrophobicContact CB-CD2 4.3Å; I988-F1027 HydrophobicContact CB-CE2 4.13Å; I988-F1027 HydrophobicContact CG2-CD2 3.67Å; I988-F1027 HydrophobicContact CG2-CE2 3.85Å; A989-F1027 HydrophobicContact CB-CZ 4.24Å; L1020-F1027 HydrophobicContact CD1-CD1 4.45Å; L1020-F1027 HydrophobicContact CD1-CE1 4.08Å; L1020-F1027 HydrophobicContact CD1-CZ 4.41Å; C1024-F1027 HydrophobicContact CB-CB 4.23Å; C1024-F1027 WeakPolarHBondContact O-CB 3.07Å; C1024-F1027 PolarHBondContact O-N 3.4Å; P1025-F1027 PolarHBondContact O-N 2.92Å; F1027-R1029 VanDerWaalsContact C-N 3.34Å; F1027-L1030 WeakPolarHBondContact O-CB 3.46Å; F1027-L1030 PolarHBondContact O-N 3.14Å; F1027-Q1031 PolarHBondContact O-N 3.22Å
1028Y90.8Very high89Confident37 Ų3741.9 Ų41.915%0.14521%0.21CC..Hα-helixtrans-71.7-29.6178.1-71.4-81.7000112.2N1017 L1020 T1021 P1025 Q1031 G1032 S1061N1017-Y1028 WeakPolarHBondContact CA-OH 3.48Å; N1017-Y1028 WeakPolarHBondContact CB-OH 3.25Å; N1017-Y1028 PolarHBondContact O-OH 3.32Å; L1020-Y1028 HydrophobicContact CB-CE2 4.36Å; T1021-Y1028 WeakPolarHBondContact OG1-CE2 3.32Å; T1021-Y1028 PolarHBondContact OG1-OH 3.47Å; P1025-Y1028 PolarHBondContact O-N 2.87Å; Y1028-Q1031 WeakPolarHBondContact O-CB 3.48Å; Y1028-Q1031 PolarHBondContact O-N 2.86Å; Y1028-G1032 PolarHBondContact O-N 2.78Å; Y1028-S1061 WeakPolarHBondContact O-CB 3.4Å
1029R93.7Very high89.8Confident42 Ų4236.4 Ų36.416%0.15819%0.187CC..Hα-helixtrans-61.8-46.1169.6-60.5-174.470.490.42.4111.2V960 D1026 F1027 Q1031 G1032 I1033 S1061 H1062 E1067V960-R1029 HydrophobicContact CG2-CB 4.03Å; D1026-R1029 WeakPolarHBondContact O-CB 3.46Å; D1026-R1029 PolarHBondContact O-N 2.86Å; D1026-R1029 WeakPolarHBondContact OD1-CD 3.47Å; F1027-R1029 VanDerWaalsContact C-N 3.34Å; R1029-Q1031 VanDerWaalsContact C-N 3.35Å; R1029-G1032 PolarHBondContact O-N 3.08Å; R1029-I1033 PolarHBondContact O-N 3.08Å; R1029-S1061 VanDerWaalsContact CG-O 3.32Å; R1029-S1061 WeakPolarHBondContact CG-O 3.4Å; R1029-H1062 PolarHBondContact NH1-O 3.25Å; R1029-E1067 IonicContact CZ-OE1 3.2Å; R1029-E1067 IonicContact CZ-OE2 3.94Å; R1029-E1067 IonicContact NH2-OE1 2.77Å; R1029-E1067 PolarHBondContact NH2-OE1 3.16Å; R1029-E1067 IonicContact NH2-OE2 2.7Å; R1029-E1067 PolarHBondContact NH2-OE2 3.36Å
1030L94.5Very high90.1Very high0 Ų039.5 Ų39.50%021%0.211CC..Hα-helixtrans-61.7-44.1175.8179.462.7000111.1L959 V960 L981 I984 D1026 F1027 G1032 I1033 I1034L959-L1030 HydrophobicContact CB-CD1 4.45Å; V960-L1030 HydrophobicContact CG2-CB 4.12Å; L981-L1030 HydrophobicContact CB-CD1 4.48Å; L981-L1030 HydrophobicContact CD1-CD1 4.23Å; L981-L1030 HydrophobicContact CD2-CD1 4.09Å; L981-L1030 HydrophobicContact CG-CD1 4.48Å; I984-L1030 HydrophobicContact CG2-CD2 4.29Å; D1026-L1030 PolarHBondContact O-N 3.04Å; F1027-L1030 WeakPolarHBondContact O-CB 3.46Å; F1027-L1030 PolarHBondContact O-N 3.14Å; L1030-G1032 VanDerWaalsContact C-N 3.31Å; L1030-G1032 PolarHBondContact O-N 2.91Å; L1030-I1033 PolarHBondContact O-N 3.35Å; L1030-I1034 HydrophobicContact CG-CD1 4.16Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.44Å; L1030-I1034 PolarHBondContact O-N 3.41Å
1031Q93.1Very high90.3Very high54 Ų5441.4 Ų41.425%0.25223%0.225SC..Hα-helixtrans-57.1-43.4173.6179.158.936.700111.9F1027 Y1028 R1029 I1034 S1035F1027-Q1031 PolarHBondContact O-N 3.22Å; Y1028-Q1031 WeakPolarHBondContact O-CB 3.48Å; Y1028-Q1031 PolarHBondContact O-N 2.86Å; R1029-Q1031 VanDerWaalsContact C-N 3.35Å; Q1031-I1034 PolarHBondContact O-N 3.32Å; Q1031-S1035 PolarHBondContact O-N 3.42Å; Q1031-S1035 PolarHBondContact O-OG 3.02Å
1032G91.7Very high90.7Very high5 Ų538.2 Ų38.25%0.05221%0.205CC..Hα-helixtrans-61.7-42.3175.600000112.8Y1028 R1029 L1030 S1035 V1036 L1057Y1028-G1032 PolarHBondContact O-N 2.78Å; R1029-G1032 PolarHBondContact O-N 3.08Å; L1030-G1032 VanDerWaalsContact C-N 3.31Å; L1030-G1032 PolarHBondContact O-N 2.91Å; G1032-S1035 WeakPolarHBondContact O-CB 3.46Å; G1032-S1035 PolarHBondContact O-N 3.21Å; G1032-V1036 WeakPolarHBondContact O-CG2 3.43Å; G1032-V1036 PolarHBondContact O-N 2.98Å; G1032-L1057 WeakPolarHBondContact O-CD2 3.21Å
1033I93.8Very high91Very high0 Ų030.9 Ų30.90%019%0.185CC..Hα-helixtrans-62.3-44.6174.2-68.4-177.9000111.1V960 I963 L964 R1029 L1030 S1035 V1036 L1037 L1063 L1071V960-I1033 HydrophobicContact CB-CD1 4.06Å; V960-I1033 HydrophobicContact CG1-CD1 3.88Å; V960-I1033 HydrophobicContact CG2-CD1 3.9Å; I963-I1033 HydrophobicContact CB-CG2 4.5Å; I963-I1033 HydrophobicContact CD1-CG2 3.95Å; I963-I1033 HydrophobicContact CG2-CG2 3.84Å; L964-I1033 HydrophobicContact CD2-CD1 4.48Å; L964-I1033 HydrophobicContact CG-CD1 4.24Å; R1029-I1033 PolarHBondContact O-N 3.08Å; L1030-I1033 PolarHBondContact O-N 3.35Å; I1033-S1035 VanDerWaalsContact C-N 3.29Å; I1033-S1035 PolarHBondContact O-N 3.1Å; I1033-V1036 PolarHBondContact O-N 3Å; I1033-V1036 VanDerWaalsContact O-N 3.17Å; I1033-L1037 HydrophobicContact CG2-CD1 3.81Å; I1033-L1037 HydrophobicContact CG2-CG 4.14Å; I1033-L1037 WeakPolarHBondContact O-CB 3.38Å; I1033-L1037 VanDerWaalsContact O-CG 3.31Å; I1033-L1037 WeakPolarHBondContact O-CG 3.34Å; I1033-L1037 PolarHBondContact O-N 3.42Å; I1033-L1063 HydrophobicContact CG1-CD2 4.41Å; I1033-L1071 HydrophobicContact CG1-CD1 4.28Å
1034I94.8Very high91.2Very high7 Ų731 Ų314%0.03619%0.188CC..Hα-helixtrans-58.9-42.7175.9-68.2166.3000110.5L978 L981 K985 L1030 Q1031 V1036 L1037 S1038L978-I1034 HydrophobicContact CD2-CG2 4.07Å; L981-I1034 HydrophobicContact CB-CD1 3.92Å; L981-I1034 HydrophobicContact CB-CG1 3.87Å; L981-I1034 HydrophobicContact CD1-CG1 4.18Å; K985-I1034 HydrophobicContact CB-CD1 4.25Å; K985-I1034 HydrophobicContact CD-CD1 3.77Å; L1030-I1034 HydrophobicContact CG-CD1 4.16Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.44Å; L1030-I1034 PolarHBondContact O-N 3.41Å; Q1031-I1034 PolarHBondContact O-N 3.32Å; I1034-V1036 PolarHBondContact O-N 3.49Å; I1034-L1037 PolarHBondContact O-N 2.8Å; I1034-S1038 VanDerWaalsContact O-CB 3.24Å; I1034-S1038 WeakPolarHBondContact O-CB 3.43Å; I1034-S1038 PolarHBondContact O-N 3.03Å; I1034-S1038 PolarHBondContact O-OG 2.99Å
1035S93.1Very high91.2Very high39 Ų3931 Ų3127%0.27319%0.188SC..Hα-helixtrans-62.4-39.3175.7-67.80000112.9Q1031 G1032 I1033 A1039Q1031-S1035 PolarHBondContact O-N 3.42Å; Q1031-S1035 PolarHBondContact O-OG 3.02Å; G1032-S1035 WeakPolarHBondContact O-CB 3.46Å; G1032-S1035 PolarHBondContact O-N 3.21Å; I1033-S1035 VanDerWaalsContact C-N 3.29Å; I1033-S1035 PolarHBondContact O-N 3.1Å; S1035-A1039 PolarHBondContact O-N 2.99Å
1036V92.3Very high91.2Very high1 Ų130.2 Ų30.21%0.00618%0.175CC..Hα-helixtrans-68.2-44.5176172.80000111.6G1032 I1033 I1034 S1038 A1039 I1045 L1057 L1068 L1071 L1075G1032-V1036 WeakPolarHBondContact O-CG2 3.43Å; G1032-V1036 PolarHBondContact O-N 2.98Å; I1033-V1036 PolarHBondContact O-N 3Å; I1033-V1036 VanDerWaalsContact O-N 3.17Å; I1034-V1036 PolarHBondContact O-N 3.49Å; V1036-S1038 VanDerWaalsContact C-N 3.3Å; V1036-S1038 PolarHBondContact O-N 3.19Å; V1036-A1039 WeakPolarHBondContact O-CB 3.42Å; V1036-A1039 PolarHBondContact O-N 3.26Å; V1036-I1045 HydrophobicContact CG1-CD1 4.07Å; V1036-L1057 HydrophobicContact CG2-CD1 3.57Å; V1036-L1057 HydrophobicContact CG2-CD2 3.75Å; V1036-L1057 HydrophobicContact CG2-CG 4.34Å; V1036-L1068 HydrophobicContact CG2-CD1 4.21Å; V1036-L1071 HydrophobicContact CB-CD1 4.45Å; V1036-L1071 HydrophobicContact CG1-CB 4.17Å; V1036-L1071 HydrophobicContact CG1-CD1 4.17Å; V1036-L1075 HydrophobicContact CG1-CD1 3.94Å
1037L90.7Very high90.9Very high11 Ų1132.5 Ų32.56%0.05819%0.188CC..Hα-helixtrans-65.9-33.8178.5-69.4176.6000111.9I969 C974 I977 L978 L981 I1033 I1034 A1039 L1075I969-L1037 HydrophobicContact CD1-CD2 4.36Å; C974-L1037 PolarHBondContact SG-O 3.19Å; I977-L1037 HydrophobicContact CG2-CD1 3.88Å; L978-L1037 HydrophobicContact CD1-CB 4.27Å; L978-L1037 HydrophobicContact CD2-CB 3.47Å; L978-L1037 VanDerWaalsContact CD2-CB 3.47Å; L978-L1037 HydrophobicContact CD2-CD1 4.27Å; L978-L1037 HydrophobicContact CG-CB 3.88Å; L981-L1037 HydrophobicContact CD1-CD1 3.96Å; I1033-L1037 HydrophobicContact CG2-CD1 3.81Å; I1033-L1037 HydrophobicContact CG2-CG 4.14Å; I1033-L1037 WeakPolarHBondContact O-CB 3.38Å; I1033-L1037 VanDerWaalsContact O-CG 3.31Å; I1033-L1037 WeakPolarHBondContact O-CG 3.34Å; I1033-L1037 PolarHBondContact O-N 3.42Å; I1034-L1037 PolarHBondContact O-N 2.8Å; L1037-A1039 VanDerWaalsContact C-N 3.34Å; L1037-L1075 HydrophobicContact CD2-CD1 3.99Å; L1037-L1075 HydrophobicContact CD2-CD2 3.68Å; L1037-L1075 HydrophobicContact CD2-CG 4.27Å
1038S91.8Very high90.7Very high71 Ų7137.1 Ų37.150%0.49721%0.211SC..THydrogen-bonded Turntrans-82.3-10.1179.6-54.40000113.8L978 I1034 V1036 S1040L978-S1038 VanDerWaalsContact CD2-OG 3.22Å; L978-S1038 WeakPolarHBondContact CD2-OG 3.4Å; I1034-S1038 VanDerWaalsContact O-CB 3.24Å; I1034-S1038 WeakPolarHBondContact O-CB 3.43Å; I1034-S1038 PolarHBondContact O-N 3.03Å; I1034-S1038 PolarHBondContact O-OG 2.99Å; V1036-S1038 VanDerWaalsContact C-N 3.3Å; V1036-S1038 PolarHBondContact O-N 3.19Å; S1038-S1040 PolarHBondContact O-N 3.2Å
1039A90.7Very high90.6Very high14 Ų1436.2 Ų36.212%0.11621%0.209CC..  trans-63.9136-175.400000111.6S1035 V1036 L1037 S1041 E1044 I1045 L1049S1035-A1039 PolarHBondContact O-N 2.99Å; V1036-A1039 WeakPolarHBondContact O-CB 3.42Å; V1036-A1039 PolarHBondContact O-N 3.26Å; L1037-A1039 VanDerWaalsContact C-N 3.34Å; A1039-S1041 VanDerWaalsContact C-N 3.32Å; A1039-S1041 PolarHBondContact O-N 3.05Å; A1039-E1044 HydrophobicContact CB-CG 4.49Å; A1039-I1045 HydrophobicContact CB-CD1 3.99Å; A1039-I1045 HydrophobicContact CB-CG1 3.52Å; A1039-L1049 HydrophobicContact CB-CD1 4.14Å
1040S86.1Confident90.4Very high103 Ų10335.4 Ų35.472%0.7221%0.206SC*.SBendtrans-71.5-27.1-175.964.40000113.3S1038 E1044S1038-S1040 PolarHBondContact O-N 3.2Å; S1040-E1044 WeakPolarHBondContact CB-OE2 3.12Å; S1040-E1044 PolarHBondContact N-OE2 2.66Å; S1040-E1044 PolarHBondContact OG-OE2 3.31Å
1041S87.3Confident90.1Very high46 Ų4639.1 Ų39.132%0.32223%0.226SC..  trans-155.3158.8-17768.60000112.4A1039 A1043 E1044 I1045A1039-S1041 VanDerWaalsContact C-N 3.32Å; A1039-S1041 PolarHBondContact O-N 3.05Å; S1041-A1043 PolarHBondContact O-N 2.96Å; S1041-E1044 WeakPolarHBondContact O-CB 3.43Å; S1041-E1044 PolarHBondContact O-N 3.48Å; S1041-E1044 PolarHBondContact OG-N 3.03Å; S1041-I1045 PolarHBondContact O-N 2.89Å
1042L88.4Confident89.6Confident10 Ų1042.6 Ų42.65%0.05225%0.247CC..Hα-helixtrans-63.9-24.5174.3-176.860.6000112.6I1045 R1046 I1072 Y1076 F1081 R1082 V1085L1042-I1045 HydrophobicContact CD1-CD1 4.33Å; L1042-I1045 PolarHBondContact O-N 3.08Å; L1042-R1046 PolarHBondContact O-N 2.9Å; L1042-R1046 VanDerWaalsContact O-N 3.13Å; L1042-I1072 HydrophobicContact CD1-CD1 4.07Å; L1042-I1072 HydrophobicContact CD1-CG1 3.94Å; L1042-I1072 HydrophobicContact CD1-CG2 3.84Å; L1042-I1072 HydrophobicContact CD2-CG2 4.45Å; L1042-Y1076 HydrophobicContact CB-CD1 4.22Å; L1042-Y1076 HydrophobicContact CB-CD2 4.49Å; L1042-Y1076 HydrophobicContact CB-CE1 3.88Å; L1042-Y1076 HydrophobicContact CB-CE2 4.19Å; L1042-Y1076 HydrophobicContact CD1-CD2 4.08Å; L1042-Y1076 HydrophobicContact CD1-CE2 4.01Å; L1042-Y1076 PolarHBondContact N-OH 2.86Å; L1042-F1081 HydrophobicContact CB-CD1 4.26Å; L1042-F1081 HydrophobicContact CB-CE1 3.89Å; L1042-F1081 HydrophobicContact CD2-CD1 3.78Å; L1042-F1081 HydrophobicContact CD2-CE1 3.97Å; L1042-F1081 HydrophobicContact CG-CD1 4.18Å; L1042-F1081 HydrophobicContact CG-CE1 3.86Å; L1042-R1082 HydrophobicContact CD2-CB 4.02Å; L1042-R1082 HydrophobicContact CD2-CG 4.18Å; L1042-V1085 HydrophobicContact CD1-CG1 4.4Å; L1042-V1085 HydrophobicContact CD2-CB 4.42Å; L1042-V1085 HydrophobicContact CD2-CG2 4.2Å; L1042-V1085 HydrophobicContact CG-CG2 4.3Å
1043A87.7Confident89.3Confident33 Ų3343.1 Ų43.127%0.27325%0.252SS..Hα-helixtrans-67.6-40175.200000111.8S1041 I1045 R1046 D1047 F1081S1041-A1043 PolarHBondContact O-N 2.96Å; A1043-I1045 VanDerWaalsContact C-N 3.35Å; A1043-I1045 PolarHBondContact O-N 3.44Å; A1043-R1046 PolarHBondContact O-N 3.29Å; A1043-D1047 WeakPolarHBondContact O-CB 3.48Å; A1043-D1047 PolarHBondContact O-N 3.13Å; A1043-F1081 HydrophobicContact CB-CZ 4.27Å
1044E90.7Very high88.9Confident59 Ų5948.7 Ų48.728%0.27628%0.282SS..Hα-helixtrans-61.8-42.2175.2179176.9-173.200111.8A1039 S1040 S1041 R1046 I1048 L1049A1039-E1044 HydrophobicContact CB-CG 4.49Å; S1040-E1044 WeakPolarHBondContact CB-OE2 3.12Å; S1040-E1044 PolarHBondContact N-OE2 2.66Å; S1040-E1044 PolarHBondContact OG-OE2 3.31Å; S1041-E1044 WeakPolarHBondContact O-CB 3.43Å; S1041-E1044 PolarHBondContact O-N 3.48Å; S1041-E1044 PolarHBondContact OG-N 3.03Å; E1044-R1046 VanDerWaalsContact C-N 3.35Å; E1044-R1046 PolarHBondContact O-N 3.41Å; E1044-I1048 HydrophobicContact CG-CD1 4.26Å; E1044-I1048 WeakPolarHBondContact O-CB 3.18Å; E1044-I1048 PolarHBondContact O-N 3.28Å; E1044-L1049 PolarHBondContact O-N 3.4Å; E1044-L1049 VanDerWaalsContact O-N 3.11Å
1045I89.1Confident88.6Confident1 Ų148.6 Ų48.61%0.00528%0.282CS..Iπ-helixtrans-61-45.6176.1-61.1169.3000110.6V1036 A1039 S1041 L1042 A1043 L1049 W1050 L1068 I1072 Y1076V1036-I1045 HydrophobicContact CG1-CD1 4.07Å; A1039-I1045 HydrophobicContact CB-CD1 3.99Å; A1039-I1045 HydrophobicContact CB-CG1 3.52Å; S1041-I1045 PolarHBondContact O-N 2.89Å; L1042-I1045 HydrophobicContact CD1-CD1 4.33Å; L1042-I1045 PolarHBondContact O-N 3.08Å; A1043-I1045 VanDerWaalsContact C-N 3.35Å; A1043-I1045 PolarHBondContact O-N 3.44Å; I1045-L1049 HydrophobicContact CG1-CD1 4.29Å; I1045-W1050 VanDerWaalsContact O-CB 3.25Å; I1045-W1050 WeakPolarHBondContact O-CB 3.31Å; I1045-W1050 PolarHBondContact O-N 3.4Å; I1045-L1068 HydrophobicContact CG2-CD1 3.94Å; I1045-I1072 HydrophobicContact CG2-CD1 4.49Å; I1045-Y1076 HydrophobicContact CD1-CE2 3.76Å
1046R87.5Confident88.4Confident57 Ų5749.1 Ų49.122%0.21528%0.284CS..Iπ-helixtrans-68.4-52.7-178.5-174.9-166.571.1-174.2-3.9112.3L1042 A1043 E1044 N1051 F1081 V1085L1042-R1046 PolarHBondContact O-N 2.9Å; L1042-R1046 VanDerWaalsContact O-N 3.13Å; A1043-R1046 PolarHBondContact O-N 3.29Å; E1044-R1046 VanDerWaalsContact C-N 3.35Å; E1044-R1046 PolarHBondContact O-N 3.41Å; R1046-N1051 PolarHBondContact O-N 2.89Å; R1046-F1081 VanDerWaalsContact NH1-CE2 3.35Å; R1046-V1085 HydrophobicContact CG-CG2 4.4Å
1047D87.5Confident88.3Confident78 Ų7849.1 Ų49.142%0.41729%0.285SS..Iπ-helixtrans-86.4-33.8-166.3-64.4-25.4000113.1A1043A1043-D1047 WeakPolarHBondContact O-CB 3.48Å; A1043-D1047 PolarHBondContact O-N 3.13Å
1048I89.1Confident88.1Confident111 Ų11150.2 Ų50.257%0.56929%0.293SS*.Iπ-helixtrans-106.3-55.1-173.5-60.7170.6000110.6E1044E1044-I1048 HydrophobicContact CG-CD1 4.26Å; E1044-I1048 WeakPolarHBondContact O-CB 3.18Å; E1044-I1048 PolarHBondContact O-N 3.28Å
1049L89.3Confident87.8Confident19 Ų1951.3 Ų51.310%0.09929%0.293CS..Iπ-helixtrans-77.2-36.8-171.2-62178.3000112.9A1039 E1044 I1045 G1055 P1056 L1057A1039-L1049 HydrophobicContact CB-CD1 4.14Å; E1044-L1049 PolarHBondContact O-N 3.4Å; E1044-L1049 VanDerWaalsContact O-N 3.11Å; I1045-L1049 HydrophobicContact CG1-CD1 4.29Å; L1049-G1055 CarbonylContact O-C 3.59Å; L1049-G1055 WeakPolarHBondContact O-CA 3.43Å; L1049-P1056 HydrophobicContact CD2-CG 4.26Å; L1049-P1056 VanDerWaalsContact O-CD 3.27Å; L1049-P1056 WeakPolarHBondContact O-CD 3.42Å; L1049-L1057 HydrophobicContact CB-CD1 3.48Å; L1049-L1057 VanDerWaalsContact CB-CD1 3.48Å; L1049-L1057 HydrophobicContact CB-CG 3.77Å; L1049-L1057 WeakPolarHBondContact O-CB 3.24Å; L1049-L1057 VanDerWaalsContact O-CG 3.3Å; L1049-L1057 WeakPolarHBondContact O-CG 3.34Å; L1049-L1057 PolarHBondContact O-N 2.9Å
1050W89.7Confident87.5Confident24 Ų2456.7 Ų56.79%0.09132%0.316CS..Iπ-helixtrans-95.7-48.6177.1-172.7-106.9000113I1045 D1052 G1053 N1054 G1055 L1057 L1063 T1065 L1068 L1089I1045-W1050 VanDerWaalsContact O-CB 3.25Å; I1045-W1050 WeakPolarHBondContact O-CB 3.31Å; I1045-W1050 PolarHBondContact O-N 3.4Å; W1050-D1052 PolarHBondContact O-N 3.48Å; W1050-G1053 WeakPolarHBondContact O-CA 3.44Å; W1050-G1053 PolarHBondContact O-N 2.72Å; W1050-N1054 PolarHBondContact O-N 3.17Å; W1050-G1055 WeakPolarHBondContact O-CA 3.47Å; W1050-G1055 PolarHBondContact O-N 2.93Å; W1050-L1057 HydrophobicContact CE3-CB 3.99Å; W1050-L1057 HydrophobicContact CZ3-CB 4.43Å; W1050-L1063 WeakPolarHBondContact CZ3-O 3.42Å; W1050-T1065 HydrophobicContact CH2-CG2 4.03Å; W1050-T1065 HydrophobicContact CZ2-CG2 3.62Å; W1050-L1068 HydrophobicContact CB-CD2 4.09Å; W1050-L1068 HydrophobicContact CD2-CD2 3.5Å; W1050-L1068 VanDerWaalsContact CD2-CD2 3.5Å; W1050-L1068 HydrophobicContact CE3-CD2 3.4Å; W1050-L1068 VanDerWaalsContact CE3-CD2 3.4Å; W1050-L1068 HydrophobicContact CG-CD2 3.8Å; W1050-L1068 HydrophobicContact CZ3-CD2 4.05Å; W1050-L1089 HydrophobicContact CD2-CD2 4.22Å; W1050-L1089 HydrophobicContact CG-CD2 4.27Å; W1050-L1089 HydrophobicContact CZ2-CD2 4.22Å
1051N87.9Confident87.5Confident79 Ų7952 Ų5242%0.42228%0.283SS..G310 helixtrans44.556.2177.9-172.129.1000113.3R1046 G1053 N1054R1046-N1051 PolarHBondContact O-N 2.89Å; N1051-G1053 PolarHBondContact O-N 3.28Å; N1051-G1053 VanDerWaalsContact O-N 3.08Å; N1051-N1054 WeakPolarHBondContact O-CB 3.36Å; N1051-N1054 PolarHBondContact O-N 3.25Å
1052D83.2Confident87.6Confident127 Ų12755.9 Ų55.968%0.67930%0.296SS*.G310 helixtrans50.134.2-177.1-66.6-28.2000114.6W1050W1050-D1052 PolarHBondContact O-N 3.48Å
1053G84.1Confident87.6Confident16 Ų1655.7 Ų55.717%0.16530%0.295CS..G310 helixtrans92-1.3179.500000114.7W1050 N1051 S1058W1050-G1053 WeakPolarHBondContact O-CA 3.44Å; W1050-G1053 PolarHBondContact O-N 2.72Å; N1051-G1053 PolarHBondContact O-N 3.28Å; N1051-G1053 VanDerWaalsContact O-N 3.08Å; G1053-S1058 WeakPolarHBondContact O-CB 3.22Å; G1053-S1058 PolarHBondContact O-OG 3.02Å
1054N86.6Confident87.8Confident117 Ų11757 Ų5763%0.62630%0.3SS*.THydrogen-bonded Turntrans-98.3-0176.5-61.4-53.7000113.6W1050 N1051 N1059W1050-N1054 PolarHBondContact O-N 3.17Å; N1051-N1054 WeakPolarHBondContact O-CB 3.36Å; N1051-N1054 PolarHBondContact O-N 3.25Å; N1054-N1059 PolarHBondContact O-ND2 3.38Å; N1054-N1059 VanDerWaalsContact O-ND2 3.12Å
1055G87.9Confident87.7Confident4 Ų457.5 Ų57.54%0.04131%0.307CS..SBendtrans-81.9170.9179.300000113.7L1049 W1050 L1057 S1058 N1059L1049-G1055 CarbonylContact O-C 3.59Å; L1049-G1055 WeakPolarHBondContact O-CA 3.43Å; W1050-G1055 WeakPolarHBondContact O-CA 3.47Å; W1050-G1055 PolarHBondContact O-N 2.93Å; G1055-L1057 PolarHBondContact O-N 2.77Å; G1055-L1057 VanDerWaalsContact O-N 3.17Å; G1055-S1058 PolarHBondContact O-N 2.7Å; G1055-S1058 VanDerWaalsContact O-N 3.16Å; G1055-N1059 PolarHBondContact O-N 3Å; G1055-N1059 VanDerWaalsContact O-N 3.1Å
1056P88.5Confident87.7Confident50 Ų5060.8 Ų60.833%0.32533%0.33SS..Hα-helixtrans-59.5-27.6-179.524.7-35.4000113.1L1049 S1058 E1060 S1061L1049-P1056 HydrophobicContact CD2-CG 4.26Å; L1049-P1056 VanDerWaalsContact O-CD 3.27Å; L1049-P1056 WeakPolarHBondContact O-CD 3.42Å; P1056-S1058 VanDerWaalsContact C-N 3.32Å; P1056-S1058 PolarHBondContact O-N 2.99Å; P1056-E1060 WeakPolarHBondContact O-CB 3.26Å; P1056-E1060 PolarHBondContact O-N 3.44Å; P1056-S1061 PolarHBondContact O-N 3.01Å
1057L89.6Confident87.9Confident2 Ų259.9 Ų59.91%0.0133%0.328CS..Hα-helixtrans-65.2-37.6179.1-64.7177.2000112.6G1032 V1036 L1049 W1050 G1055 S1061 H1062 L1063 L1068G1032-L1057 WeakPolarHBondContact O-CD2 3.21Å; V1036-L1057 HydrophobicContact CG2-CD1 3.57Å; V1036-L1057 HydrophobicContact CG2-CD2 3.75Å; V1036-L1057 HydrophobicContact CG2-CG 4.34Å; L1049-L1057 HydrophobicContact CB-CD1 3.48Å; L1049-L1057 VanDerWaalsContact CB-CD1 3.48Å; L1049-L1057 HydrophobicContact CB-CG 3.77Å; L1049-L1057 WeakPolarHBondContact O-CB 3.24Å; L1049-L1057 VanDerWaalsContact O-CG 3.3Å; L1049-L1057 WeakPolarHBondContact O-CG 3.34Å; L1049-L1057 PolarHBondContact O-N 2.9Å; W1050-L1057 HydrophobicContact CE3-CB 3.99Å; W1050-L1057 HydrophobicContact CZ3-CB 4.43Å; G1055-L1057 PolarHBondContact O-N 2.77Å; G1055-L1057 VanDerWaalsContact O-N 3.17Å; L1057-S1061 VanDerWaalsContact C-OG 3.28Å; L1057-S1061 WeakPolarHBondContact CA-OG 3.33Å; L1057-S1061 CarbonylContact O-C 3.39Å; L1057-S1061 PolarHBondContact O-OG 2.92Å; L1057-H1062 PolarHBondContact O-N 2.92Å; L1057-L1063 HydrophobicContact CB-CD1 4.32Å; L1057-L1063 HydrophobicContact CD2-CD1 3.8Å; L1057-L1063 PolarHBondContact O-N 3.42Å; L1057-L1068 HydrophobicContact CD1-CD1 4.25Å
1058S86.8Confident88.1Confident34 Ų3456.2 Ų56.224%0.23831%0.309CS..Hα-helixtrans-81.9-46.5179.2-178.50000111.3G1053 G1055 P1056 H1062G1053-S1058 WeakPolarHBondContact O-CB 3.22Å; G1053-S1058 PolarHBondContact O-OG 3.02Å; G1055-S1058 PolarHBondContact O-N 2.7Å; G1055-S1058 VanDerWaalsContact O-N 3.16Å; P1056-S1058 VanDerWaalsContact C-N 3.32Å; P1056-S1058 PolarHBondContact O-N 2.99Å; S1058-H1062 WeakPolarHBondContact O-CA 3.09Å; S1058-H1062 PolarHBondContact O-ND1 3.21Å
1059N85.7Confident88.1Confident93 Ų9353.3 Ų53.350%0.49729%0.29SS..Hα-helixtrans-81.4-43.8-170.7-70.1-19.7000114N1054 G1055 H1062N1054-N1059 PolarHBondContact O-ND2 3.38Å; N1054-N1059 VanDerWaalsContact O-ND2 3.12Å; G1055-N1059 PolarHBondContact O-N 3Å; G1055-N1059 VanDerWaalsContact O-N 3.1Å; N1059-H1062 PolarHBondContact O-CE1 2.85Å
1060E85.6Confident88.2Confident128 Ų12855.3 Ų55.360%0.59831%0.305SS*.THydrogen-bonded Turntrans-97.1-48-176.1-61178.3-171.200111.2P1056P1056-E1060 WeakPolarHBondContact O-CB 3.26Å; P1056-E1060 PolarHBondContact O-N 3.44Å
1061S86Confident88.2Confident4 Ų454.2 Ų54.23%0.02830%0.301CS..SBendtrans-87.4-4.9-176.380.80000114.3Y1028 R1029 P1056 L1057 L1063Y1028-S1061 WeakPolarHBondContact O-CB 3.4Å; R1029-S1061 VanDerWaalsContact CG-O 3.32Å; R1029-S1061 WeakPolarHBondContact CG-O 3.4Å; P1056-S1061 PolarHBondContact O-N 3.01Å; L1057-S1061 VanDerWaalsContact C-OG 3.28Å; L1057-S1061 WeakPolarHBondContact CA-OG 3.33Å; L1057-S1061 CarbonylContact O-C 3.39Å; L1057-S1061 PolarHBondContact O-OG 2.92Å; S1061-L1063 PolarHBondContact O-N 3.16Å; S1061-L1063 WeakPolarHBondContact OG-CD1 3.13Å
1062H87.8Confident88.4Confident128 Ų12850.5 Ų50.559%0.59328%0.281SS*.  trans46.237.8179-58.3-51.3000114.5R1029 L1057 S1058 N1059R1029-H1062 PolarHBondContact NH1-O 3.25Å; L1057-H1062 PolarHBondContact O-N 2.92Å; S1058-H1062 WeakPolarHBondContact O-CA 3.09Å; S1058-H1062 PolarHBondContact O-ND1 3.21Å; N1059-H1062 PolarHBondContact O-CE1 2.85Å
1063L89.2Confident88.7Confident5 Ų549.4 Ų49.43%0.02627%0.271CS..  trans-74.8130.7175.3-79.9164.1000109.5I1033 W1050 L1057 S1061 E1067I1033-L1063 HydrophobicContact CG1-CD2 4.41Å; W1050-L1063 WeakPolarHBondContact CZ3-O 3.42Å; L1057-L1063 HydrophobicContact CB-CD1 4.32Å; L1057-L1063 HydrophobicContact CD2-CD1 3.8Å; L1057-L1063 PolarHBondContact O-N 3.42Å; S1061-L1063 PolarHBondContact O-N 3.16Å; S1061-L1063 WeakPolarHBondContact OG-CD1 3.13Å; L1063-E1067 HydrophobicContact CD2-CB 4.24Å
1064T91Very high88.9Confident62 Ų6249 Ų4938%0.3827%0.265SS..  trans-77.3157.817766.50000111.3S1066 E1067 L1068T1064-S1066 PolarHBondContact O-N 3.17Å; T1064-S1066 PolarHBondContact OG1-OG 3.35Å; T1064-E1067 WeakPolarHBondContact CB-OE2 3.48Å; T1064-E1067 WeakPolarHBondContact CG2-OE2 3.36Å; T1064-E1067 PolarHBondContact N-OE2 3.49Å; T1064-E1067 PolarHBondContact O-N 3.21Å; T1064-E1067 VanDerWaalsContact O-N 3.14Å; T1064-E1067 VanDerWaalsContact OG1-CD 3.3Å; T1064-E1067 WeakPolarHBondContact OG1-CG 3.3Å; T1064-E1067 PolarHBondContact OG1-N 3.48Å; T1064-E1067 PolarHBondContact OG1-OE2 3.1Å; T1064-L1068 PolarHBondContact O-N 3.05Å
1065T88.9Confident89Confident69 Ų6945.1 Ų45.142%0.42325%0.245SC..Hα-helixtrans-55.2-37.4172.5530000111.6W1050 R1069W1050-T1065 HydrophobicContact CH2-CG2 4.03Å; W1050-T1065 HydrophobicContact CZ2-CG2 3.62Å; T1065-R1069 WeakPolarHBondContact O-CB 3.09Å; T1065-R1069 WeakPolarHBondContact O-CD 3.36Å; T1065-R1069 WeakPolarHBondContact O-CG 3.3Å; T1065-R1069 PolarHBondContact O-N 2.91Å
1066S89.6Confident89Confident70 Ų7047.7 Ų47.749%0.4925%0.254SS..Hα-helixtrans-64.1-42.4178.573.70000112.8T1064 R1069 C1070T1064-S1066 PolarHBondContact O-N 3.17Å; T1064-S1066 PolarHBondContact OG1-OG 3.35Å; S1066-R1069 WeakPolarHBondContact O-CB 3.43Å; S1066-R1069 PolarHBondContact O-N 3.12Å; S1066-C1070 PolarHBondContact O-N 3.45Å; S1066-C1070 VanDerWaalsContact O-N 3.08Å; S1066-C1070 PolarHBondContact O-SG 3.22Å; S1066-C1070 VanDerWaalsContact O-SG 3.32Å
1067E91.8Very high88.8Confident38 Ų3850.2 Ų50.218%0.17827%0.272CS..Hα-helixtrans-71-43.3-179.8-70.5167.8135.800111.2L964 R1029 L1063 T1064 R1069 C1070 L1071L964-E1067 HydrophobicContact CD1-CB 4.3Å; L964-E1067 HydrophobicContact CD1-CG 3.88Å; L964-E1067 WeakPolarHBondContact CD1-OE1 3.29Å; L964-E1067 HydrophobicContact CD2-CB 3.82Å; L964-E1067 HydrophobicContact CD2-CG 4.23Å; R1029-E1067 IonicContact CZ-OE1 3.2Å; R1029-E1067 IonicContact CZ-OE2 3.94Å; R1029-E1067 IonicContact NH2-OE1 2.77Å; R1029-E1067 PolarHBondContact NH2-OE1 3.16Å; R1029-E1067 IonicContact NH2-OE2 2.7Å; R1029-E1067 PolarHBondContact NH2-OE2 3.36Å; L1063-E1067 HydrophobicContact CD2-CB 4.24Å; T1064-E1067 WeakPolarHBondContact CB-OE2 3.48Å; T1064-E1067 WeakPolarHBondContact CG2-OE2 3.36Å; T1064-E1067 PolarHBondContact N-OE2 3.49Å; T1064-E1067 PolarHBondContact O-N 3.21Å; T1064-E1067 VanDerWaalsContact O-N 3.14Å; T1064-E1067 VanDerWaalsContact OG1-CD 3.3Å; T1064-E1067 WeakPolarHBondContact OG1-CG 3.3Å; T1064-E1067 PolarHBondContact OG1-N 3.48Å; T1064-E1067 PolarHBondContact OG1-OE2 3.1Å; E1067-R1069 VanDerWaalsContact C-N 3.28Å; E1067-R1069 PolarHBondContact O-N 2.9Å; E1067-C1070 WeakPolarHBondContact O-CB 3.38Å; E1067-C1070 PolarHBondContact O-N 3Å; E1067-C1070 VanDerWaalsContact O-N 3.08Å; E1067-L1071 PolarHBondContact O-N 2.96Å
1068L91.3Very high88.5Confident1 Ų154.6 Ų54.61%0.00530%0.303CS..Hα-helixtrans-61.2-39174.9-177.559000111.4V1036 I1045 W1050 L1057 T1064 C1070 L1071 I1072 L1089V1036-L1068 HydrophobicContact CG2-CD1 4.21Å; I1045-L1068 HydrophobicContact CG2-CD1 3.94Å; W1050-L1068 HydrophobicContact CB-CD2 4.09Å; W1050-L1068 HydrophobicContact CD2-CD2 3.5Å; W1050-L1068 VanDerWaalsContact CD2-CD2 3.5Å; W1050-L1068 HydrophobicContact CE3-CD2 3.4Å; W1050-L1068 VanDerWaalsContact CE3-CD2 3.4Å; W1050-L1068 HydrophobicContact CG-CD2 3.8Å; W1050-L1068 HydrophobicContact CZ3-CD2 4.05Å; L1057-L1068 HydrophobicContact CD1-CD1 4.25Å; T1064-L1068 PolarHBondContact O-N 3.05Å; L1068-C1070 VanDerWaalsContact C-N 3.34Å; L1068-C1070 PolarHBondContact O-N 3.27Å; L1068-L1071 PolarHBondContact O-N 3.32Å; L1068-I1072 HydrophobicContact CD1-CD1 4.13Å; L1068-I1072 HydrophobicContact CD1-CG1 4.29Å; L1068-I1072 HydrophobicContact CG-CD1 3.88Å; L1068-I1072 HydrophobicContact CG-CG1 4.46Å; L1068-I1072 VanDerWaalsContact O-CG1 3.3Å; L1068-I1072 WeakPolarHBondContact O-CG1 3.29Å; L1068-I1072 PolarHBondContact O-N 3.17Å; L1068-L1089 HydrophobicContact CD2-CD1 3.98Å; L1068-L1089 HydrophobicContact CD2-CD2 3.94Å; L1068-L1089 HydrophobicContact CG-CD1 4.04Å
1069R90.4Very high88.6Confident49 Ų4955.4 Ų55.419%0.18531%0.309CS..Hα-helixtrans-62.2-39.6173.3-71.916568.897.821.3112.2T1065 S1066 E1067 K1073 L1086 L1089 R1090T1065-R1069 WeakPolarHBondContact O-CB 3.09Å; T1065-R1069 WeakPolarHBondContact O-CD 3.36Å; T1065-R1069 WeakPolarHBondContact O-CG 3.3Å; T1065-R1069 PolarHBondContact O-N 2.91Å; S1066-R1069 WeakPolarHBondContact O-CB 3.43Å; S1066-R1069 PolarHBondContact O-N 3.12Å; E1067-R1069 VanDerWaalsContact C-N 3.28Å; E1067-R1069 PolarHBondContact O-N 2.9Å; R1069-K1073 WeakPolarHBondContact O-CB 3.45Å; R1069-K1073 VanDerWaalsContact O-CG 3.26Å; R1069-K1073 WeakPolarHBondContact O-CG 3.41Å; R1069-K1073 PolarHBondContact O-N 2.89Å; R1069-L1086 HydrophobicContact CB-CD2 3.96Å; R1069-L1086 HydrophobicContact CG-CD2 3.93Å; R1069-L1086 PolarHBondContact NH1-O 3.4Å; R1069-L1089 HydrophobicContact CG-CB 3.78Å; R1069-L1089 HydrophobicContact CG-CD1 3.99Å; R1069-R1090 VanDerWaalsContact NH1-CA 3.34Å
1070C90.1Very high88.6Confident61 Ų6156.1 Ų56.141%0.41232%0.321SS..Hα-helixtrans-62.6-47.4176-69.90000110.9S1066 E1067 L1068 I1072 K1073 A1074S1066-C1070 PolarHBondContact O-N 3.45Å; S1066-C1070 VanDerWaalsContact O-N 3.08Å; S1066-C1070 PolarHBondContact O-SG 3.22Å; S1066-C1070 VanDerWaalsContact O-SG 3.32Å; E1067-C1070 WeakPolarHBondContact O-CB 3.38Å; E1067-C1070 PolarHBondContact O-N 3Å; E1067-C1070 VanDerWaalsContact O-N 3.08Å; L1068-C1070 VanDerWaalsContact C-N 3.34Å; L1068-C1070 PolarHBondContact O-N 3.27Å; C1070-I1072 PolarHBondContact O-N 3.47Å; C1070-K1073 PolarHBondContact O-N 3.03Å; C1070-A1074 WeakPolarHBondContact O-CB 3.49Å; C1070-A1074 PolarHBondContact O-N 3.08Å
1071L91.1Very high88.7Confident1 Ų153.4 Ų53.41%0.00531%0.307CS..Hα-helixtrans-61.1-45.5177-68.1170.6000112.4I963 L964 I1033 V1036 E1067 L1068 K1073 A1074 L1075I963-L1071 HydrophobicContact CG2-CD2 4.05Å; L964-L1071 HydrophobicContact CD2-CD1 4.03Å; L964-L1071 HydrophobicContact CD2-CD2 4.04Å; L964-L1071 HydrophobicContact CD2-CG 3.8Å; I1033-L1071 HydrophobicContact CG1-CD1 4.28Å; V1036-L1071 HydrophobicContact CB-CD1 4.45Å; V1036-L1071 HydrophobicContact CG1-CB 4.17Å; V1036-L1071 HydrophobicContact CG1-CD1 4.17Å; E1067-L1071 PolarHBondContact O-N 2.96Å; L1068-L1071 PolarHBondContact O-N 3.32Å; L1071-K1073 VanDerWaalsContact C-N 3.34Å; L1071-K1073 PolarHBondContact O-N 3.31Å; L1071-A1074 PolarHBondContact O-N 2.95Å; L1071-L1075 WeakPolarHBondContact O-CB 3.27Å; L1071-L1075 WeakPolarHBondContact O-CG 3.42Å; L1071-L1075 PolarHBondContact O-N 3.14Å
1072I90.9Very high88.8Confident1 Ų154.7 Ų54.71%0.00531%0.311CS..Hα-helixtrans-62.8-41.6178.8-69.9167.9000111.1L1042 I1045 L1068 C1070 A1074 Y1076 R1082 V1085 L1086 L1089L1042-I1072 HydrophobicContact CD1-CD1 4.07Å; L1042-I1072 HydrophobicContact CD1-CG1 3.94Å; L1042-I1072 HydrophobicContact CD1-CG2 3.84Å; L1042-I1072 HydrophobicContact CD2-CG2 4.45Å; I1045-I1072 HydrophobicContact CG2-CD1 4.49Å; L1068-I1072 HydrophobicContact CD1-CD1 4.13Å; L1068-I1072 HydrophobicContact CD1-CG1 4.29Å; L1068-I1072 HydrophobicContact CG-CD1 3.88Å; L1068-I1072 HydrophobicContact CG-CG1 4.46Å; L1068-I1072 VanDerWaalsContact O-CG1 3.3Å; L1068-I1072 WeakPolarHBondContact O-CG1 3.29Å; L1068-I1072 PolarHBondContact O-N 3.17Å; C1070-I1072 PolarHBondContact O-N 3.47Å; I1072-A1074 VanDerWaalsContact C-N 3.31Å; I1072-Y1076 HydrophobicContact CG2-CD2 4.44Å; I1072-Y1076 WeakPolarHBondContact O-CB 3.29Å; I1072-Y1076 PolarHBondContact O-N 2.93Å; I1072-R1082 HydrophobicContact CG2-CG 3.8Å; I1072-V1085 HydrophobicContact CD1-CG1 4Å; I1072-L1086 HydrophobicContact CB-CD2 4.14Å; I1072-L1086 HydrophobicContact CG2-CD2 3.91Å; I1072-L1086 HydrophobicContact CG2-CG 4.22Å; I1072-L1089 HydrophobicContact CD1-CD1 3.56Å
1073K89.8Confident88.9Confident105 Ų10552.3 Ų52.346%0.45730%0.303SS..Hα-helixtrans-63.4-39.3176.3-77.3175.7176.8-1740111.9R1069 C1070 L1071 L1086R1069-K1073 WeakPolarHBondContact O-CB 3.45Å; R1069-K1073 VanDerWaalsContact O-CG 3.26Å; R1069-K1073 WeakPolarHBondContact O-CG 3.41Å; R1069-K1073 PolarHBondContact O-N 2.89Å; C1070-K1073 PolarHBondContact O-N 3.03Å; L1071-K1073 VanDerWaalsContact C-N 3.34Å; L1071-K1073 PolarHBondContact O-N 3.31Å; K1073-L1086 HydrophobicContact CG-CD1 3.86Å; K1073-L1086 HydrophobicContact CG-CD2 4.22Å
1074A88.1Confident88.9Confident6 Ų655.9 Ų55.95%0.0532%0.32CS..Hα-helixtrans-73.1-36.4-17900000113.1L966 I967 I969 C1070 L1071 I1072L966-A1074 WeakPolarHBondContact O-CB 3.4Å; I967-A1074 WeakPolarHBondContact O-CA 3.33Å; I967-A1074 WeakPolarHBondContact O-CB 3.25Å; I969-A1074 HydrophobicContact CD1-CB 3.97Å; I969-A1074 HydrophobicContact CG1-CB 4.03Å; I969-A1074 PolarHBondContact N-O 3.32Å; C1070-A1074 WeakPolarHBondContact O-CB 3.49Å; C1070-A1074 PolarHBondContact O-N 3.08Å; L1071-A1074 PolarHBondContact O-N 2.95Å; I1072-A1074 VanDerWaalsContact C-N 3.31Å
1075L87.9Confident88.7Confident37 Ų3753.1 Ų53.119%0.19430%0.303CS..Hα-helixtrans-85.1-34-177.3-69.7165.4000113.9I969 C974 V1036 L1037 L1071I969-L1075 HydrophobicContact CB-CD2 4.03Å; I969-L1075 HydrophobicContact CD1-CD2 4.14Å; I969-L1075 HydrophobicContact CD1-CG 4.43Å; I969-L1075 HydrophobicContact CG2-CD2 3.96Å; C974-L1075 HydrophobicContact CB-CD2 4.49Å; V1036-L1075 HydrophobicContact CG1-CD1 3.94Å; L1037-L1075 HydrophobicContact CD2-CD1 3.99Å; L1037-L1075 HydrophobicContact CD2-CD2 3.68Å; L1037-L1075 HydrophobicContact CD2-CG 4.27Å; L1071-L1075 WeakPolarHBondContact O-CB 3.27Å; L1071-L1075 WeakPolarHBondContact O-CG 3.42Å; L1071-L1075 PolarHBondContact O-N 3.14Å
1076Y88.4Confident88.7Confident58 Ų5850.3 Ų50.323%0.22729%0.285CS..SBendtrans-116.7125-170.3-64.5-87.1000112.6L1042 I1045 I1072 R1082L1042-Y1076 HydrophobicContact CB-CD1 4.22Å; L1042-Y1076 HydrophobicContact CB-CD2 4.49Å; L1042-Y1076 HydrophobicContact CB-CE1 3.88Å; L1042-Y1076 HydrophobicContact CB-CE2 4.19Å; L1042-Y1076 HydrophobicContact CD1-CD2 4.08Å; L1042-Y1076 HydrophobicContact CD1-CE2 4.01Å; L1042-Y1076 PolarHBondContact N-OH 2.86Å; I1045-Y1076 HydrophobicContact CD1-CE2 3.76Å; I1072-Y1076 HydrophobicContact CG2-CD2 4.44Å; I1072-Y1076 WeakPolarHBondContact O-CB 3.29Å; I1072-Y1076 PolarHBondContact O-N 2.93Å; Y1076-R1082 WeakPolarHBondContact O-CD 3.45Å; Y1076-R1082 PolarHBondContact O-NH1 2.95Å
1077S84.7Confident88.5Confident102 Ų10253.9 Ų53.971%0.71329%0.294SS*.  trans-60.7156.6171.958.70000112.5S1079S1077-S1079 PolarHBondContact O-N 3.13Å; S1077-S1079 VanDerWaalsContact O-N 3.17Å
1078S82.7Confident88.1Confident94 Ų9457.7 Ų57.766%0.65731%0.31SS*.SBendtrans-57.3118.1-178.3-59.30000112.7R1082S1078-R1082 VanDerWaalsContact CA-NH1 3.31Å; S1078-R1082 VanDerWaalsContact N-NH1 3.11Å; S1078-R1082 PolarHBondContact OG-NH1 2.87Å; S1078-R1082 PolarHBondContact OG-NH2 3.18Å
1079S88.8Confident87.7Confident51 Ų5158.1 Ų58.136%0.35731%0.312SS..  trans-146.6154.9176.763.40000109.6S1077 F1081 R1082 D1083S1077-S1079 PolarHBondContact O-N 3.13Å; S1077-S1079 VanDerWaalsContact O-N 3.17Å; S1079-F1081 PolarHBondContact O-N 3.26Å; S1079-R1082 PolarHBondContact O-N 3.47Å; S1079-R1082 VanDerWaalsContact O-N 3.12Å; S1079-R1082 WeakPolarHBondContact OG-CB 3.42Å; S1079-R1082 PolarHBondContact OG-N 3.5Å; S1079-D1083 PolarHBondContact O-N 3.11Å
1080S86.2Confident86.8Confident108 Ų10868.1 Ų68.176%0.75535%0.35SS*.Hα-helixtrans-56.2-39.8177.652.30000112.2D1083 E1084S1080-D1083 PolarHBondContact O-N 3.01Å; S1080-E1084 PolarHBondContact O-N 2.81Å
1081F87.3Confident86.7Confident72 Ų7268.5 Ų68.532%0.31635%0.347SS..Hα-helixtrans-64.9-43.6176.9-173.6-112.7000112.2L1042 A1043 R1046 S1079 D1083 E1084 V1085L1042-F1081 HydrophobicContact CB-CD1 4.26Å; L1042-F1081 HydrophobicContact CB-CE1 3.89Å; L1042-F1081 HydrophobicContact CD2-CD1 3.78Å; L1042-F1081 HydrophobicContact CD2-CE1 3.97Å; L1042-F1081 HydrophobicContact CG-CD1 4.18Å; L1042-F1081 HydrophobicContact CG-CE1 3.86Å; A1043-F1081 HydrophobicContact CB-CZ 4.27Å; R1046-F1081 VanDerWaalsContact NH1-CE2 3.35Å; S1079-F1081 PolarHBondContact O-N 3.26Å; F1081-D1083 VanDerWaalsContact C-N 3.32Å; F1081-D1083 PolarHBondContact O-N 3.42Å; F1081-E1084 PolarHBondContact O-N 2.62Å; F1081-V1085 HydrophobicContact CE1-CG2 4.29Å; F1081-V1085 HydrophobicContact CZ-CG2 4.26Å; F1081-V1085 WeakPolarHBondContact O-CG2 3.41Å; F1081-V1085 PolarHBondContact O-N 3.28Å; F1081-V1085 VanDerWaalsContact O-N 3.09Å
1082R89.6Confident86.4Confident30 Ų3072 Ų7211%0.11337%0.365CS..Hα-helixtrans-60.2-44.8175.6-171.2-159.973.6-175.6-2.8111.4L1042 I1072 Y1076 S1078 S1079 E1084 V1085 L1086L1042-R1082 HydrophobicContact CD2-CB 4.02Å; L1042-R1082 HydrophobicContact CD2-CG 4.18Å; I1072-R1082 HydrophobicContact CG2-CG 3.8Å; Y1076-R1082 WeakPolarHBondContact O-CD 3.45Å; Y1076-R1082 PolarHBondContact O-NH1 2.95Å; S1078-R1082 VanDerWaalsContact CA-NH1 3.31Å; S1078-R1082 VanDerWaalsContact N-NH1 3.11Å; S1078-R1082 PolarHBondContact OG-NH1 2.87Å; S1078-R1082 PolarHBondContact OG-NH2 3.18Å; S1079-R1082 PolarHBondContact O-N 3.47Å; S1079-R1082 VanDerWaalsContact O-N 3.12Å; S1079-R1082 WeakPolarHBondContact OG-CB 3.42Å; S1079-R1082 PolarHBondContact OG-N 3.5Å; R1082-E1084 VanDerWaalsContact C-N 3.32Å; R1082-E1084 PolarHBondContact O-N 3.48Å; R1082-V1085 PolarHBondContact O-N 3.42Å; R1082-L1086 HydrophobicContact CG-CD1 4.02Å; R1082-L1086 HydrophobicContact CG-CG 4.35Å; R1082-L1086 WeakPolarHBondContact O-CB 3.4Å; R1082-L1086 VanDerWaalsContact O-CG 3.29Å; R1082-L1086 WeakPolarHBondContact O-CG 3.46Å; R1082-L1086 PolarHBondContact O-N 3.12Å
1083D88.3Confident86.2Confident78 Ų7875.9 Ų75.942%0.41739%0.385SS..Hα-helixtrans-68.3-33.1-177.8-62.6-21.5000111.6S1079 S1080 F1081 Q1087S1079-D1083 PolarHBondContact O-N 3.11Å; S1080-D1083 PolarHBondContact O-N 3.01Å; F1081-D1083 VanDerWaalsContact C-N 3.32Å; F1081-D1083 PolarHBondContact O-N 3.42Å; D1083-Q1087 VanDerWaalsContact O-CB 3.31Å; D1083-Q1087 WeakPolarHBondContact O-CB 3.46Å; D1083-Q1087 PolarHBondContact O-N 3.49Å
1084E89.5Confident86Confident80 Ų8074.2 Ų74.237%0.37438%0.381SS..Hα-helixtrans-61.2-48.3170-170.5-160.2143.800111.7S1080 F1081 R1082 Q1087 K1088S1080-E1084 PolarHBondContact O-N 2.81Å; F1081-E1084 PolarHBondContact O-N 2.62Å; R1082-E1084 VanDerWaalsContact C-N 3.32Å; R1082-E1084 PolarHBondContact O-N 3.48Å; E1084-Q1087 WeakPolarHBondContact O-CB 3.31Å; E1084-Q1087 PolarHBondContact O-N 3.09Å; E1084-Q1087 VanDerWaalsContact O-N 3.14Å; E1084-K1088 PolarHBondContact O-N 3.2Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.41Å; E1084-K1088 IonicContact OE1-NZ 3.93Å; E1084-K1088 PolarHBondContact OE1-NZ 3.35Å
1085V87.2Confident85.9Confident4 Ų478.5 Ų78.52%0.02440%0.401CS..Hα-helixtrans-63.5-44.2178.6177.30000111L1042 R1046 I1072 F1081 R1082 Q1087 K1088 L1089L1042-V1085 HydrophobicContact CD1-CG1 4.4Å; L1042-V1085 HydrophobicContact CD2-CB 4.42Å; L1042-V1085 HydrophobicContact CD2-CG2 4.2Å; L1042-V1085 HydrophobicContact CG-CG2 4.3Å; R1046-V1085 HydrophobicContact CG-CG2 4.4Å; I1072-V1085 HydrophobicContact CD1-CG1 4Å; F1081-V1085 HydrophobicContact CE1-CG2 4.29Å; F1081-V1085 HydrophobicContact CZ-CG2 4.26Å; F1081-V1085 WeakPolarHBondContact O-CG2 3.41Å; F1081-V1085 PolarHBondContact O-N 3.28Å; F1081-V1085 VanDerWaalsContact O-N 3.09Å; R1082-V1085 PolarHBondContact O-N 3.42Å; V1085-Q1087 PolarHBondContact O-N 3.01Å; V1085-K1088 PolarHBondContact O-N 3.18Å; V1085-L1089 HydrophobicContact CG1-CD1 4.19Å; V1085-L1089 WeakPolarHBondContact O-CG 3.42Å; V1085-L1089 PolarHBondContact O-N 2.84Å
1086L88.1Confident85.7Confident11 Ų1181.3 Ų81.36%0.05842%0.415CS..Hα-helixtrans-64.5-27.4175.3-69.8175.7000112.5R1069 I1072 K1073 R1082R1069-L1086 HydrophobicContact CB-CD2 3.96Å; R1069-L1086 HydrophobicContact CG-CD2 3.93Å; R1069-L1086 PolarHBondContact NH1-O 3.4Å; I1072-L1086 HydrophobicContact CB-CD2 4.14Å; I1072-L1086 HydrophobicContact CG2-CD2 3.91Å; I1072-L1086 HydrophobicContact CG2-CG 4.22Å; K1073-L1086 HydrophobicContact CG-CD1 3.86Å; K1073-L1086 HydrophobicContact CG-CD2 4.22Å; R1082-L1086 HydrophobicContact CG-CD1 4.02Å; R1082-L1086 HydrophobicContact CG-CG 4.35Å; R1082-L1086 WeakPolarHBondContact O-CB 3.4Å; R1082-L1086 VanDerWaalsContact O-CG 3.29Å; R1082-L1086 WeakPolarHBondContact O-CG 3.46Å; R1082-L1086 PolarHBondContact O-N 3.12Å
1087Q86.1Confident85.5Confident144 Ų14482.9 Ų82.967%0.67343%0.429SS*.Hα-helixtrans-74.9-39.7174.1-171.2173.614.400111.6D1083 E1084 V1085 L1089 R1090D1083-Q1087 VanDerWaalsContact O-CB 3.31Å; D1083-Q1087 WeakPolarHBondContact O-CB 3.46Å; D1083-Q1087 PolarHBondContact O-N 3.49Å; E1084-Q1087 WeakPolarHBondContact O-CB 3.31Å; E1084-Q1087 PolarHBondContact O-N 3.09Å; E1084-Q1087 VanDerWaalsContact O-N 3.14Å; V1085-Q1087 PolarHBondContact O-N 3.01Å; Q1087-L1089 VanDerWaalsContact C-N 3.32Å; Q1087-L1089 PolarHBondContact O-N 3.33Å; Q1087-R1090 VanDerWaalsContact O-CB 3.29Å; Q1087-R1090 WeakPolarHBondContact O-CB 3.36Å; Q1087-R1090 PolarHBondContact O-N 3.25Å; Q1087-R1090 VanDerWaalsContact O-N 3.16Å
1088K84.5Confident85.6Confident119 Ų11981.5 Ų81.552%0.51741%0.407SS..Hα-helixtrans-65.7-32.2174.9-74.8-179.5174.91640113.5E1084 V1085 R1090E1084-K1088 PolarHBondContact O-N 3.2Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.41Å; E1084-K1088 IonicContact OE1-NZ 3.93Å; E1084-K1088 PolarHBondContact OE1-NZ 3.35Å; V1085-K1088 PolarHBondContact O-N 3.18Å; K1088-R1090 PolarHBondContact O-N 2.77Å
1089L82.9Confident85.8Confident9 Ų980.4 Ų80.45%0.04739%0.386CS..THydrogen-bonded Turntrans-78.22.3174.5-68.1173000113.6W1050 L1068 R1069 I1072 V1085 Q1087W1050-L1089 HydrophobicContact CD2-CD2 4.22Å; W1050-L1089 HydrophobicContact CG-CD2 4.27Å; W1050-L1089 HydrophobicContact CZ2-CD2 4.22Å; L1068-L1089 HydrophobicContact CD2-CD1 3.98Å; L1068-L1089 HydrophobicContact CD2-CD2 3.94Å; L1068-L1089 HydrophobicContact CG-CD1 4.04Å; R1069-L1089 HydrophobicContact CG-CB 3.78Å; R1069-L1089 HydrophobicContact CG-CD1 3.99Å; I1072-L1089 HydrophobicContact CD1-CD1 3.56Å; V1085-L1089 HydrophobicContact CG1-CD1 4.19Å; V1085-L1089 WeakPolarHBondContact O-CG 3.42Å; V1085-L1089 PolarHBondContact O-N 2.84Å; Q1087-L1089 VanDerWaalsContact C-N 3.32Å; Q1087-L1089 PolarHBondContact O-N 3.33Å
1090R71.5Confident85.6Confident259 Ų25983.1 Ų83.198%0.97739%0.388SS*.  trans-94.90178.6-154.4-178.6-160.71783.7110.1R1069 Q1087 K1088R1069-R1090 VanDerWaalsContact NH1-CA 3.34Å; Q1087-R1090 VanDerWaalsContact O-CB 3.29Å; Q1087-R1090 WeakPolarHBondContact O-CB 3.36Å; Q1087-R1090 PolarHBondContact O-N 3.25Å; Q1087-R1090 VanDerWaalsContact O-N 3.16Å; K1088-R1090 PolarHBondContact O-N 2.77Å

Retrieved 1,090 of 1,090 residues in 745.9 ms (Link to these results)

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