A0A077ZCJ2_TRITR Loading...

RA and DIL domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 850 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.4Low76.4Confident147 Ų14793.6 Ų93.672%0.72452%0.52SS*.  0138.90-79.6169.369.500108.4E5 V6 N9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CE-CB 4.26Å; M1-E5 HydrophobicContact CE-CG 3.97Å; M1-E5 WeakPolarHBondContact CG-OE2 3.38Å; M1-V6 HydrophobicContact CB-CG2 3.76Å; M1-V6 HydrophobicContact CE-CB 4.14Å; M1-V6 HydrophobicContact CE-CG2 3.58Å; M1-V6 HydrophobicContact SD-CG2 4.23Å; M1-N9 HydrophobicContact CE-CB 4.48Å; M1-N9 WeakPolarHBondContact CE-ND2 3.39Å
2D67.3Low77.6Confident114 Ų11491.3 Ų91.361%0.6150%0.504SS*.  trans-65.2149.5170.1-149-23.1000109.4D4 E5 V6D2-D4 PolarHBondContact O-N 2.95Å; D2-D4 VanDerWaalsContact O-N 3.16Å; D2-E5 HydrophobicContact CB-CB 4.31Å; D2-E5 PolarHBondContact N-OE2 3.2Å; D2-E5 WeakPolarHBondContact O-CB 3.37Å; D2-E5 PolarHBondContact O-N 3.08Å; D2-V6 PolarHBondContact O-N 3.42Å
3A72.8Confident78.8Confident65 Ų6590.5 Ų90.554%0.53749%0.489SS..Hα-helixtrans-62.2-26.5-177.100000112.3K7A3-K7 PolarHBondContact O-N 3.45Å
4D77.2Confident79.7Confident114 Ų11491.6 Ų91.661%0.6150%0.5SS*.Hα-helixtrans-73.2-38.2175.4-69.6-24000111.9D2 V6 K7 E8D2-D4 PolarHBondContact O-N 2.95Å; D2-D4 VanDerWaalsContact O-N 3.16Å; D4-V6 PolarHBondContact O-N 2.83Å; D4-K7 PolarHBondContact O-N 3.46Å; D4-E8 WeakPolarHBondContact O-CB 3.41Å; D4-E8 PolarHBondContact O-N 3.07Å
5E74.4Confident80.5Confident92 Ų9294.9 Ų94.943%0.4351%0.511SS..Hα-helixtrans-65-38.1177.5-166.1-176.2-172.200111.7M1 D2 E8 N9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CE-CB 4.26Å; M1-E5 HydrophobicContact CE-CG 3.97Å; M1-E5 WeakPolarHBondContact CG-OE2 3.38Å; D2-E5 HydrophobicContact CB-CB 4.31Å; D2-E5 PolarHBondContact N-OE2 3.2Å; D2-E5 WeakPolarHBondContact O-CB 3.37Å; D2-E5 PolarHBondContact O-N 3.08Å; E5-E8 PolarHBondContact O-N 3.45Å; E5-N9 WeakPolarHBondContact O-CB 3.18Å; E5-N9 PolarHBondContact O-N 3.16Å
6V76.9Confident81.3Confident78 Ų7890.8 Ų90.847%0.47349%0.488SS..Hα-helixtrans-64.4-42.3175.6179.50000111.2M1 D2 D4 A10M1-V6 HydrophobicContact CB-CG2 3.76Å; M1-V6 HydrophobicContact CE-CB 4.14Å; M1-V6 HydrophobicContact CE-CG2 3.58Å; M1-V6 HydrophobicContact SD-CG2 4.23Å; D2-V6 PolarHBondContact O-N 3.42Å; D4-V6 PolarHBondContact O-N 2.83Å; V6-A10 WeakPolarHBondContact O-CB 3.41Å; V6-A10 PolarHBondContact O-N 3.06Å
7K78.7Confident82Confident148 Ų14886.9 Ų86.964%0.64347%0.468SS*.Hα-helixtrans-68.3-40.4178.5-74.9178.1-177.7169.60111.9A3 D4 A10 A11A3-K7 PolarHBondContact O-N 3.45Å; D4-K7 PolarHBondContact O-N 3.46Å; K7-A10 PolarHBondContact O-N 2.72Å; K7-A11 PolarHBondContact O-N 2.76Å
8E82.6Confident82.5Confident124 Ų12489.2 Ų89.258%0.57947%0.473SS*.Hα-helixtrans-63.6-48.3176.2-173.4172-170.700111D4 E5 A10 A11 I12D4-E8 WeakPolarHBondContact O-CB 3.41Å; D4-E8 PolarHBondContact O-N 3.07Å; E5-E8 PolarHBondContact O-N 3.45Å; E8-A10 VanDerWaalsContact C-N 3.32Å; E8-A10 PolarHBondContact O-N 3.11Å; E8-A11 PolarHBondContact O-N 2.82Å; E8-A11 VanDerWaalsContact O-N 3.12Å; E8-I12 HydrophobicContact CG-CD1 3.94Å; E8-I12 WeakPolarHBondContact O-CG1 3.48Å; E8-I12 PolarHBondContact O-N 3.15Å
9N85.2Confident83Confident39 Ų3987.9 Ų87.921%0.20947%0.466CS..Hα-helixtrans-60.1-41.1175.4-77.7-3.6000111.9M1 E5 A11 I12 R13 L40M1-N9 HydrophobicContact CE-CB 4.48Å; M1-N9 WeakPolarHBondContact CE-ND2 3.39Å; E5-N9 WeakPolarHBondContact O-CB 3.18Å; E5-N9 PolarHBondContact O-N 3.16Å; N9-A11 VanDerWaalsContact C-N 3.33Å; N9-A11 PolarHBondContact O-N 3.25Å; N9-I12 PolarHBondContact O-N 3.21Å; N9-R13 VanDerWaalsContact O-CB 3.26Å; N9-R13 WeakPolarHBondContact O-CB 3.31Å; N9-R13 PolarHBondContact O-N 2.97Å; N9-L40 WeakPolarHBondContact O-CD2 3.49Å
10A83.6Confident83.6Confident56 Ų5683.6 Ų83.646%0.46344%0.443SS..Hα-helixtrans-60.8-41.4175.500000112.4V6 K7 E8 R13 V14V6-A10 WeakPolarHBondContact O-CB 3.41Å; V6-A10 PolarHBondContact O-N 3.06Å; K7-A10 PolarHBondContact O-N 2.72Å; E8-A10 VanDerWaalsContact C-N 3.32Å; E8-A10 PolarHBondContact O-N 3.11Å; A10-R13 PolarHBondContact O-N 3.16Å; A10-V14 WeakPolarHBondContact O-CG2 3.38Å; A10-V14 PolarHBondContact O-N 2.92Å; A10-V14 VanDerWaalsContact O-N 3.14Å
11A87.6Confident83.8Confident53 Ų5384.6 Ų84.644%0.43845%0.445SS..Hα-helixtrans-67.2-42.7177.100000112.4K7 E8 N9 R13 V14 Q15K7-A11 PolarHBondContact O-N 2.76Å; E8-A11 PolarHBondContact O-N 2.82Å; E8-A11 VanDerWaalsContact O-N 3.12Å; N9-A11 VanDerWaalsContact C-N 3.33Å; N9-A11 PolarHBondContact O-N 3.25Å; A11-R13 VanDerWaalsContact C-N 3.33Å; A11-V14 PolarHBondContact O-N 3.06Å; A11-Q15 PolarHBondContact O-N 3.27Å
12I90.9Very high85.3Confident65 Ų6580.8 Ų80.833%0.33343%0.428SS..Hα-helixtrans-63.1-42.4175.4-65167.1000110.2E8 N9 V14 Q15 L16 L40E8-I12 HydrophobicContact CG-CD1 3.94Å; E8-I12 WeakPolarHBondContact O-CG1 3.48Å; E8-I12 PolarHBondContact O-N 3.15Å; N9-I12 PolarHBondContact O-N 3.21Å; I12-V14 VanDerWaalsContact C-N 3.33Å; I12-V14 PolarHBondContact O-N 3.14Å; I12-Q15 PolarHBondContact O-N 3.46Å; I12-Q15 VanDerWaalsContact O-N 3.16Å; I12-L16 WeakPolarHBondContact O-CB 3.49Å; I12-L16 PolarHBondContact O-N 2.95Å; I12-L40 HydrophobicContact CB-CD1 4.13Å; I12-L40 HydrophobicContact CB-CD2 4.3Å; I12-L40 HydrophobicContact CD1-CD1 4.49Å; I12-L40 HydrophobicContact CG2-CD1 3.7Å; I12-L40 HydrophobicContact CG2-CD2 4.12Å
13R92.5Very high86.3Confident82 Ų8275.3 Ų75.331%0.30940%0.399SS..Hα-helixtrans-57.7-45.7178.2-167.4177175-170.4-1.9111.3N9 A10 A11 Q15 L16 T17 P36 N37 L40N9-R13 VanDerWaalsContact O-CB 3.26Å; N9-R13 WeakPolarHBondContact O-CB 3.31Å; N9-R13 PolarHBondContact O-N 2.97Å; A10-R13 PolarHBondContact O-N 3.16Å; A11-R13 VanDerWaalsContact C-N 3.33Å; R13-Q15 VanDerWaalsContact C-N 3.35Å; R13-Q15 PolarHBondContact O-N 3.08Å; R13-L16 PolarHBondContact O-N 3.37Å; R13-T17 WeakPolarHBondContact O-CB 3.49Å; R13-T17 PolarHBondContact O-N 2.87Å; R13-T17 PolarHBondContact O-OG1 3.18Å; R13-P36 HydrophobicContact CG-CB 4.35Å; R13-P36 HydrophobicContact CG-CG 3.92Å; R13-P36 VanDerWaalsContact CZ-O 3.29Å; R13-P36 PolarHBondContact NE-O 3.45Å; R13-P36 PolarHBondContact NH2-O 3.36Å; R13-N37 WeakPolarHBondContact CD-O 3.38Å; R13-N37 PolarHBondContact NE-O 3.23Å; R13-N37 VanDerWaalsContact NE-O 3.17Å; R13-L40 HydrophobicContact CB-CD2 3.55Å; R13-L40 HydrophobicContact CG-CD2 4.15Å
14V91.1Very high87Confident105 Ų10574.3 Ų74.364%0.63638%0.384SS*.Hα-helixtrans-60.2-43.6176.9171.60000111.8A10 A11 I12 K18A10-V14 WeakPolarHBondContact O-CG2 3.38Å; A10-V14 PolarHBondContact O-N 2.92Å; A10-V14 VanDerWaalsContact O-N 3.14Å; A11-V14 PolarHBondContact O-N 3.06Å; I12-V14 VanDerWaalsContact C-N 3.33Å; I12-V14 PolarHBondContact O-N 3.14Å; V14-K18 PolarHBondContact O-N 3.46Å; V14-K18 VanDerWaalsContact O-N 3.13Å
15Q92Very high87.1Confident142 Ų14271.7 Ų71.766%0.66438%0.378SS*.Hα-helixtrans-65.4-41.6177.4-67.6-179.19.200111.9A11 I12 R13 K18 L19A11-Q15 PolarHBondContact O-N 3.27Å; I12-Q15 PolarHBondContact O-N 3.46Å; I12-Q15 VanDerWaalsContact O-N 3.16Å; R13-Q15 VanDerWaalsContact C-N 3.35Å; R13-Q15 PolarHBondContact O-N 3.08Å; Q15-K18 PolarHBondContact O-N 3.25Å; Q15-L19 PolarHBondContact O-N 2.99Å
16L93.6Very high87.4Confident29 Ų2972.2 Ų72.215%0.15238%0.384CS..Hα-helixtrans-68.5-41.3179.4-176.158.2000111.9I12 R13 K18 L19 I20 P36 L40 F42 L118I12-L16 WeakPolarHBondContact O-CB 3.49Å; I12-L16 PolarHBondContact O-N 2.95Å; R13-L16 PolarHBondContact O-N 3.37Å; L16-K18 VanDerWaalsContact C-N 3.34Å; L16-K18 PolarHBondContact O-N 3.28Å; L16-L19 PolarHBondContact O-N 3.46Å; L16-I20 HydrophobicContact CD1-CD1 4.08Å; L16-I20 HydrophobicContact CD1-CG1 4.46Å; L16-I20 HydrophobicContact CG-CD1 3.94Å; L16-I20 WeakPolarHBondContact O-CB 3.49Å; L16-I20 WeakPolarHBondContact O-CG1 3.26Å; L16-I20 PolarHBondContact O-N 3.32Å; L16-P36 HydrophobicContact CB-CG 4.25Å; L16-P36 HydrophobicContact CD2-CB 3.74Å; L16-P36 HydrophobicContact CD2-CG 4.13Å; L16-P36 HydrophobicContact CG-CB 4.18Å; L16-P36 HydrophobicContact CG-CG 4.04Å; L16-L40 HydrophobicContact CD2-CB 4.42Å; L16-F42 HydrophobicContact CD1-CE1 4.02Å; L16-F42 HydrophobicContact CD2-CD1 3.95Å; L16-F42 HydrophobicContact CD2-CE1 4.03Å; L16-F42 HydrophobicContact CG-CD1 4.46Å; L16-F42 HydrophobicContact CG-CE1 4.43Å; L16-L118 HydrophobicContact CD1-CD2 4.16Å
17T93.8Very high87.6Confident24 Ų2469.2 Ų69.215%0.14736%0.364CS..Hα-helixtrans-56.8-48.8173.1-62.90000110.4R13 L19 I20 E21 P36R13-T17 WeakPolarHBondContact O-CB 3.49Å; R13-T17 PolarHBondContact O-N 2.87Å; R13-T17 PolarHBondContact O-OG1 3.18Å; T17-L19 PolarHBondContact O-N 3.13Å; T17-I20 PolarHBondContact O-N 3.45Å; T17-I20 VanDerWaalsContact O-N 3.16Å; T17-E21 HydrophobicContact CG2-CG 4.39Å; T17-E21 WeakPolarHBondContact O-CG 3.29Å; T17-E21 PolarHBondContact O-N 3.41Å; T17-P36 WeakPolarHBondContact OG1-CD 3.12Å; T17-P36 VanDerWaalsContact OG1-CG 3.32Å; T17-P36 WeakPolarHBondContact OG1-CG 3.44Å
18K91Very high87.5Confident129 Ų12963.6 Ų63.656%0.56134%0.341SS*.Hα-helixtrans-60.8-43.6178-174.7177.5178.9-1790112.5V14 Q15 L16 I20 E21 D22V14-K18 PolarHBondContact O-N 3.46Å; V14-K18 VanDerWaalsContact O-N 3.13Å; Q15-K18 PolarHBondContact O-N 3.25Å; L16-K18 VanDerWaalsContact C-N 3.34Å; L16-K18 PolarHBondContact O-N 3.28Å; K18-I20 VanDerWaalsContact C-N 3.29Å; K18-I20 PolarHBondContact O-N 3.48Å; K18-E21 PolarHBondContact O-N 3.23Å; K18-D22 WeakPolarHBondContact O-CB 3.49Å; K18-D22 PolarHBondContact O-N 3.5Å
19L92.2Very high87.1Confident64 Ų6460.6 Ų60.634%0.33533%0.329SS..Hα-helixtrans-61-39.8176.5178.764.8000111.7Q15 L16 T17 W23 L118Q15-L19 PolarHBondContact O-N 2.99Å; L16-L19 PolarHBondContact O-N 3.46Å; T17-L19 PolarHBondContact O-N 3.13Å; L19-W23 VanDerWaalsContact O-CB 3.31Å; L19-W23 WeakPolarHBondContact O-CB 3.48Å; L19-W23 PolarHBondContact O-N 3.03Å; L19-L118 HydrophobicContact CD2-CD1 4.41Å; L19-L118 HydrophobicContact CD2-CD2 3.94Å; L19-L118 HydrophobicContact CD2-CG 4.13Å; L19-L118 HydrophobicContact CG-CD1 4.22Å; L19-L118 HydrophobicContact CG-CG 4.48Å
20I93.6Very high87.1Confident2 Ų259.9 Ų59.91%0.0133%0.325CS..Hα-helixtrans-69.7-40.8177.6-75.9165.2000111.3L16 T17 K18 W23 N24 L33 P36 F42 L118L16-I20 HydrophobicContact CD1-CD1 4.08Å; L16-I20 HydrophobicContact CD1-CG1 4.46Å; L16-I20 HydrophobicContact CG-CD1 3.94Å; L16-I20 WeakPolarHBondContact O-CB 3.49Å; L16-I20 WeakPolarHBondContact O-CG1 3.26Å; L16-I20 PolarHBondContact O-N 3.32Å; T17-I20 PolarHBondContact O-N 3.45Å; T17-I20 VanDerWaalsContact O-N 3.16Å; K18-I20 VanDerWaalsContact C-N 3.29Å; K18-I20 PolarHBondContact O-N 3.48Å; I20-W23 PolarHBondContact O-N 3.03Å; I20-N24 VanDerWaalsContact O-CB 3.3Å; I20-N24 WeakPolarHBondContact O-CB 3.35Å; I20-N24 VanDerWaalsContact O-CG 3.24Å; I20-N24 PolarHBondContact O-N 3.37Å; I20-N24 PolarHBondContact O-ND2 2.97Å; I20-L33 HydrophobicContact CG1-CD1 4.31Å; I20-L33 HydrophobicContact CG2-CB 3.89Å; I20-P36 HydrophobicContact CD1-CG 4.45Å; I20-F42 HydrophobicContact CD1-CB 4.01Å; I20-F42 HydrophobicContact CD1-CD1 3.92Å; I20-F42 HydrophobicContact CD1-CD2 3.92Å; I20-F42 HydrophobicContact CD1-CE1 4.31Å; I20-F42 HydrophobicContact CD1-CE2 4.32Å; I20-F42 HydrophobicContact CD1-CG 3.68Å; I20-F42 HydrophobicContact CD1-CZ 4.48Å; I20-L118 HydrophobicContact CG1-CD2 4.5Å
21E89.5Confident87.2Confident104 Ų10459 Ų5949%0.48631%0.311SS..Hα-helixtrans-59.6-48.1173.3-73.6172.517300111.2T17 K18 W23 N24 A25T17-E21 HydrophobicContact CG2-CG 4.39Å; T17-E21 WeakPolarHBondContact O-CG 3.29Å; T17-E21 PolarHBondContact O-N 3.41Å; K18-E21 PolarHBondContact O-N 3.23Å; E21-W23 VanDerWaalsContact C-N 3.32Å; E21-W23 PolarHBondContact O-N 3.46Å; E21-N24 PolarHBondContact O-N 3.26Å; E21-A25 WeakPolarHBondContact O-CB 3.27Å; E21-A25 PolarHBondContact O-N 2.87Å
22D85.8Confident87.2Confident67 Ų6759.3 Ų59.336%0.35831%0.313SS..Hα-helixtrans-61.4-41.7176.3-73.1-25.1000111K18 A25 N26K18-D22 WeakPolarHBondContact O-CB 3.49Å; K18-D22 PolarHBondContact O-N 3.5Å; D22-A25 PolarHBondContact O-N 3.34Å; D22-N26 WeakPolarHBondContact O-CB 3.28Å; D22-N26 PolarHBondContact O-N 3.26Å; D22-N26 VanDerWaalsContact O-N 3.1Å; D22-N26 PolarHBondContact O-ND2 3.2Å
23W87.9Confident87.3Confident0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-63.1-47.9175.8-172.997.8000111.3L19 I20 E21 A25 N26 R27 L30 F31 L33 Q117 L118L19-W23 VanDerWaalsContact O-CB 3.31Å; L19-W23 WeakPolarHBondContact O-CB 3.48Å; L19-W23 PolarHBondContact O-N 3.03Å; I20-W23 PolarHBondContact O-N 3.03Å; E21-W23 VanDerWaalsContact C-N 3.32Å; E21-W23 PolarHBondContact O-N 3.46Å; W23-A25 VanDerWaalsContact C-N 3.29Å; W23-A25 PolarHBondContact O-N 3.28Å; W23-N26 PolarHBondContact O-N 3.25Å; W23-R27 HydrophobicContact CD2-CB 4.16Å; W23-R27 HydrophobicContact CD2-CG 4.33Å; W23-R27 HydrophobicContact CE3-CB 4.46Å; W23-R27 HydrophobicContact CG-CG 4.36Å; W23-R27 HydrophobicContact CH2-CB 4.48Å; W23-R27 HydrophobicContact CZ2-CB 4.19Å; W23-R27 WeakPolarHBondContact O-CB 3.47Å; W23-R27 PolarHBondContact O-N 3.5Å; W23-L30 HydrophobicContact CH2-CB 3.52Å; W23-L30 HydrophobicContact CH2-CD1 4.24Å; W23-L30 HydrophobicContact CZ2-CB 3.82Å; W23-L30 HydrophobicContact CZ2-CD1 3.63Å; W23-L30 HydrophobicContact CZ2-CG 4.39Å; W23-F31 WeakPolarHBondContact CH2-O 3.4Å; W23-F31 WeakPolarHBondContact CZ3-O 3.47Å; W23-L33 HydrophobicContact CD2-CD1 3.95Å; W23-L33 HydrophobicContact CD2-CG 4.28Å; W23-L33 HydrophobicContact CE3-CD1 3.88Å; W23-L33 HydrophobicContact CE3-CG 3.73Å; W23-L33 HydrophobicContact CG-CD1 4.43Å; W23-L33 HydrophobicContact CH2-CD2 4.35Å; W23-L33 HydrophobicContact CH2-CG 4.14Å; W23-L33 HydrophobicContact CZ3-CD1 4.25Å; W23-L33 HydrophobicContact CZ3-CD2 4.31Å; W23-L33 HydrophobicContact CZ3-CG 3.67Å; W23-Q117 HydrophobicContact CZ2-CG 4.4Å; W23-L118 HydrophobicContact CB-CD1 3.93Å; W23-L118 HydrophobicContact CG-CD1 3.79Å
24N86.9Confident87.4Confident44 Ų4455.1 Ų55.124%0.23530%0.302CS..Hα-helixtrans-63.5-33.6179.4-76.6-21.3000112.2I20 E21 A32 L33I20-N24 VanDerWaalsContact O-CB 3.3Å; I20-N24 WeakPolarHBondContact O-CB 3.35Å; I20-N24 VanDerWaalsContact O-CG 3.24Å; I20-N24 PolarHBondContact O-N 3.37Å; I20-N24 PolarHBondContact O-ND2 2.97Å; E21-N24 PolarHBondContact O-N 3.26Å; N24-A32 WeakPolarHBondContact OD1-CA 3.16Å; N24-L33 PolarHBondContact ND2-O 2.91Å; N24-L33 PolarHBondContact OD1-N 3.15Å
25A79.2Confident87.4Confident58 Ų5856.2 Ų56.248%0.47930%0.3SS..Hα-helixtrans-73.6-34.2177.600000113.1E21 D22 W23E21-A25 WeakPolarHBondContact O-CB 3.27Å; E21-A25 PolarHBondContact O-N 2.87Å; D22-A25 PolarHBondContact O-N 3.34Å; W23-A25 VanDerWaalsContact C-N 3.29Å; W23-A25 PolarHBondContact O-N 3.28Å
26N80.5Confident87.6Confident103 Ų10349.5 Ų49.555%0.55127%0.269SS*.Hα-helixtrans-97.2-33.8-172.9-68.2-54.3000113.6D22 W23 L28D22-N26 WeakPolarHBondContact O-CB 3.28Å; D22-N26 PolarHBondContact O-N 3.26Å; D22-N26 VanDerWaalsContact O-N 3.1Å; D22-N26 PolarHBondContact O-ND2 3.2Å; W23-N26 PolarHBondContact O-N 3.25Å; N26-L28 PolarHBondContact O-N 3.43Å
27R81Confident87.4Confident16 Ų1650.4 Ų50.46%0.0627%0.274CS..  trans-100.655.6-176.2-59.7-64.1-72.9-103.1-0.5112.3W23 D29 L30 R125W23-R27 HydrophobicContact CD2-CB 4.16Å; W23-R27 HydrophobicContact CD2-CG 4.33Å; W23-R27 HydrophobicContact CE3-CB 4.46Å; W23-R27 HydrophobicContact CG-CG 4.36Å; W23-R27 HydrophobicContact CH2-CB 4.48Å; W23-R27 HydrophobicContact CZ2-CB 4.19Å; W23-R27 WeakPolarHBondContact O-CB 3.47Å; W23-R27 PolarHBondContact O-N 3.5Å; R27-D29 VanDerWaalsContact C-OD1 3.28Å; R27-D29 WeakPolarHBondContact CA-OD1 3.35Å; R27-D29 IonicContact NE-OD1 2.89Å; R27-D29 PolarHBondContact O-N 2.83Å; R27-L30 HydrophobicContact CB-CB 4.44Å; R27-L30 HydrophobicContact CB-CD1 4.44Å; R27-L30 PolarHBondContact O-N 3.49Å; R27-R125 PolarHBondContact NH1-O 3.33Å; R27-R125 PolarHBondContact NH2-O 3.47Å
28L76.4Confident87Confident30 Ų3056.2 Ų56.216%0.15730%0.299CS..THydrogen-bonded Turntrans-62.9-21-178.8-60.4173000113.4N26 L30 S205 V209 V210 K213N26-L28 PolarHBondContact O-N 3.43Å; L28-L30 VanDerWaalsContact C-N 3.28Å; L28-S205 PolarHBondContact O-OG 3.08Å; L28-V209 HydrophobicContact CD1-CG1 3.88Å; L28-V210 HydrophobicContact CB-CG2 3.79Å; L28-V210 WeakPolarHBondContact O-CG2 3.41Å; L28-K213 HydrophobicContact CD1-CD 4.04Å
29D74.2Confident86.9Confident60 Ų6056.4 Ų56.432%0.32130%0.302SS..THydrogen-bonded Turntrans-70.5-21.217360.7-58.6000113.1R27R27-D29 VanDerWaalsContact C-OD1 3.28Å; R27-D29 WeakPolarHBondContact CA-OD1 3.35Å; R27-D29 IonicContact NE-OD1 2.89Å; R27-D29 PolarHBondContact O-N 2.83Å
30L85.2Confident86.9Confident25 Ų2555 Ų5513%0.13130%0.295CS..SBendtrans-106165.8178.8-60.6-179.3000111.8W23 R27 L28 Q117 S205W23-L30 HydrophobicContact CH2-CB 3.52Å; W23-L30 HydrophobicContact CH2-CD1 4.24Å; W23-L30 HydrophobicContact CZ2-CB 3.82Å; W23-L30 HydrophobicContact CZ2-CD1 3.63Å; W23-L30 HydrophobicContact CZ2-CG 4.39Å; R27-L30 HydrophobicContact CB-CB 4.44Å; R27-L30 HydrophobicContact CB-CD1 4.44Å; R27-L30 PolarHBondContact O-N 3.49Å; L28-L30 VanDerWaalsContact C-N 3.28Å; L30-Q117 HydrophobicContact CD1-CG 4.49Å; L30-S205 WeakPolarHBondContact O-CB 3.45Å; L30-S205 PolarHBondContact O-OG 2.81Å
31F87Confident86.9Confident36 Ų3657.2 Ų57.216%0.15831%0.305CS..PPolyproline II helixtrans-72.3132.8178.9-66.9-80000112.1W23 L33 V45 C61W23-F31 WeakPolarHBondContact CH2-O 3.4Å; W23-F31 WeakPolarHBondContact CZ3-O 3.47Å; F31-L33 PolarHBondContact O-N 3.21Å; F31-V45 HydrophobicContact CB-CB 3.76Å; F31-V45 HydrophobicContact CB-CG1 4.49Å; F31-V45 WeakPolarHBondContact CB-O 3.41Å; F31-V45 HydrophobicContact CD1-CB 4.12Å; F31-V45 HydrophobicContact CD1-CG1 4.22Å; F31-V45 HydrophobicContact CD2-CB 3.84Å; F31-V45 HydrophobicContact CD2-CG1 3.61Å; F31-V45 WeakPolarHBondContact CD2-O 3.41Å; F31-V45 HydrophobicContact CE1-CG1 4.37Å; F31-V45 HydrophobicContact CE2-CB 4.47Å; F31-V45 HydrophobicContact CE2-CG1 3.77Å; F31-V45 HydrophobicContact CG-CB 3.63Å; F31-V45 HydrophobicContact CG-CG1 3.85Å; F31-V45 HydrophobicContact CZ-CG1 4.15Å; F31-C61 HydrophobicContact CE2-CB 4.3Å; F31-C61 VanDerWaalsContact CE2-SG 3.6Å
32A87.9Confident87.2Confident60 Ų6052.4 Ų52.450%0.49628%0.283SS..PPolyproline II helixtrans-56.6138.3177.500000112N24N24-A32 WeakPolarHBondContact OD1-CA 3.16Å
33L93.2Very high87.7Confident9 Ų952.6 Ų52.65%0.04728%0.281CS..PPolyproline II helixtrans-85.3143.8172.2-55.7178.8000109.6I20 W23 N24 F31 F42 H43 L114 L118I20-L33 HydrophobicContact CG1-CD1 4.31Å; I20-L33 HydrophobicContact CG2-CB 3.89Å; W23-L33 HydrophobicContact CD2-CD1 3.95Å; W23-L33 HydrophobicContact CD2-CG 4.28Å; W23-L33 HydrophobicContact CE3-CD1 3.88Å; W23-L33 HydrophobicContact CE3-CG 3.73Å; W23-L33 HydrophobicContact CG-CD1 4.43Å; W23-L33 HydrophobicContact CH2-CD2 4.35Å; W23-L33 HydrophobicContact CH2-CG 4.14Å; W23-L33 HydrophobicContact CZ3-CD1 4.25Å; W23-L33 HydrophobicContact CZ3-CD2 4.31Å; W23-L33 HydrophobicContact CZ3-CG 3.67Å; N24-L33 PolarHBondContact ND2-O 2.91Å; N24-L33 PolarHBondContact OD1-N 3.15Å; F31-L33 PolarHBondContact O-N 3.21Å; L33-F42 HydrophobicContact CB-CD2 4.43Å; L33-F42 HydrophobicContact CD1-CD2 4.37Å; L33-F42 HydrophobicContact CD1-CE2 4Å; L33-H43 WeakPolarHBondContact CA-O 3.46Å; L33-L114 HydrophobicContact CD2-CD1 3.69Å; L33-L114 HydrophobicContact CD2-CD2 4.48Å; L33-L114 HydrophobicContact CD2-CG 4.34Å; L33-L118 HydrophobicContact CD1-CD1 3.83Å
34S94.1Very high87.9Confident50 Ų5052.8 Ų52.835%0.3528%0.283SS..PPolyproline II helixtrans-68.1158171.178.20000110.6F42 H43S34-F42 WeakPolarHBondContact O-CB 3.39Å; S34-H43 PolarHBondContact N-O 3.34Å; S34-H43 PolarHBondContact OG-N 2.81Å; S34-H43 PolarHBondContact OG-O 3.41Å
35E91.4Very high88.2Confident129 Ų12952.6 Ų52.660%0.60328%0.283SS*.PPolyproline II helixtrans-60.9150.8165.8-69.2-178.6-167.300111.1
36P94.7Very high88.9Confident1 Ų149.8 Ų49.81%0.00626%0.26CS..PPolyproline II helixtrans-70.4136.8173.329.1-32.1000110.9R13 L16 T17 I20 E41 F42R13-P36 HydrophobicContact CG-CB 4.35Å; R13-P36 HydrophobicContact CG-CG 3.92Å; R13-P36 VanDerWaalsContact CZ-O 3.29Å; R13-P36 PolarHBondContact NE-O 3.45Å; R13-P36 PolarHBondContact NH2-O 3.36Å; L16-P36 HydrophobicContact CB-CG 4.25Å; L16-P36 HydrophobicContact CD2-CB 3.74Å; L16-P36 HydrophobicContact CD2-CG 4.13Å; L16-P36 HydrophobicContact CG-CB 4.18Å; L16-P36 HydrophobicContact CG-CG 4.04Å; T17-P36 WeakPolarHBondContact OG1-CD 3.12Å; T17-P36 VanDerWaalsContact OG1-CG 3.32Å; T17-P36 WeakPolarHBondContact OG1-CG 3.44Å; I20-P36 HydrophobicContact CD1-CG 4.45Å; P36-E41 WeakPolarHBondContact CA-O 3.45Å; P36-F42 HydrophobicContact CB-CB 4.39Å
37N89.7Confident89.3Confident48 Ų4846.6 Ų46.626%0.25724%0.241SC..  trans-76.3-170.4173.668.96.5000111.7R13 E39 L40 E41R13-N37 WeakPolarHBondContact CD-O 3.38Å; R13-N37 PolarHBondContact NE-O 3.23Å; R13-N37 VanDerWaalsContact NE-O 3.17Å; N37-E39 PolarHBondContact ND2-OE2 3.14Å; N37-E39 VanDerWaalsContact ND2-OE2 3.14Å; N37-E39 PolarHBondContact O-N 3.45Å; N37-E39 WeakPolarHBondContact OD1-CA 3.26Å; N37-E39 PolarHBondContact OD1-N 2.99Å; N37-E39 PolarHBondContact OD1-OE2 2.64Å; N37-L40 PolarHBondContact O-N 3.02Å; N37-L40 VanDerWaalsContact O-N 3.14Å; N37-L40 PolarHBondContact OD1-N 2.54Å; N37-E41 VanDerWaalsContact CG-O 3.24Å; N37-E41 PolarHBondContact N-O 3.05Å; N37-E41 WeakPolarHBondContact OD1-CA 3.21Å; N37-E41 WeakPolarHBondContact OD1-CB 3.35Å; N37-E41 PolarHBondContact OD1-N 3.46Å; N37-E41 PolarHBondContact OD1-O 3.16Å; N37-E41 VanDerWaalsContact OD1-O 3.13Å
38E86.2Confident89.9Confident145 Ų14545.9 Ų45.968%0.67824%0.238SC*.THydrogen-bonded Turntrans-66.2-27.5-178.8-67.3179.7-172.700112.5L40E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 2.95Å
39E87.6Confident90.5Very high133 Ų13345.7 Ų45.762%0.62124%0.235SC*.THydrogen-bonded Turntrans-85.18.9174.7-58.876.5-165.900113.7N37 E41N37-E39 PolarHBondContact ND2-OE2 3.14Å; N37-E39 VanDerWaalsContact ND2-OE2 3.14Å; N37-E39 PolarHBondContact O-N 3.45Å; N37-E39 WeakPolarHBondContact OD1-CA 3.26Å; N37-E39 PolarHBondContact OD1-N 2.99Å; N37-E39 PolarHBondContact OD1-OE2 2.64Å; E39-E41 PolarHBondContact O-N 3.42Å
40L92.1Very high91Very high36 Ų3643.7 Ų43.719%0.18822%0.224CC..SBendtrans6510.3-174.8-49.9174000114.4N9 I12 R13 L16 N37 E38N9-L40 WeakPolarHBondContact O-CD2 3.49Å; I12-L40 HydrophobicContact CB-CD1 4.13Å; I12-L40 HydrophobicContact CB-CD2 4.3Å; I12-L40 HydrophobicContact CD1-CD1 4.49Å; I12-L40 HydrophobicContact CG2-CD1 3.7Å; I12-L40 HydrophobicContact CG2-CD2 4.12Å; R13-L40 HydrophobicContact CB-CD2 3.55Å; R13-L40 HydrophobicContact CG-CD2 4.15Å; L16-L40 HydrophobicContact CD2-CB 4.42Å; N37-L40 PolarHBondContact O-N 3.02Å; N37-L40 VanDerWaalsContact O-N 3.14Å; N37-L40 PolarHBondContact OD1-N 2.54Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 2.95Å
41E94.4Very high90.5Very high48 Ų4845.4 Ų45.422%0.22423%0.231CC..  trans-83.9131.3177.9178.1176.6-13100110.5P36 N37 E39 S65 S66 T67P36-E41 WeakPolarHBondContact CA-O 3.45Å; N37-E41 VanDerWaalsContact CG-O 3.24Å; N37-E41 PolarHBondContact N-O 3.05Å; N37-E41 WeakPolarHBondContact OD1-CA 3.21Å; N37-E41 WeakPolarHBondContact OD1-CB 3.35Å; N37-E41 PolarHBondContact OD1-N 3.46Å; N37-E41 PolarHBondContact OD1-O 3.16Å; N37-E41 VanDerWaalsContact OD1-O 3.13Å; E39-E41 PolarHBondContact O-N 3.42Å; E41-S65 VanDerWaalsContact CD-OG 3.29Å; E41-S65 WeakPolarHBondContact CG-OG 3.43Å; E41-S65 PolarHBondContact OE1-OG 2.97Å; E41-S66 WeakPolarHBondContact CA-OG 3.41Å; E41-T67 HydrophobicContact CB-CG2 4.3Å; E41-T67 HydrophobicContact CG-CG2 4.05Å; E41-T67 WeakPolarHBondContact OE1-CG2 3.13Å; E41-T67 PolarHBondContact OE1-OG1 3.43Å
42F96.5Very high89.6Confident3 Ų347.4 Ų47.41%0.01324%0.241CC..  trans-128.6164.7172.861.8-84.3000110.4L16 I20 L33 S34 P36 S66 L114 L115 L118L16-F42 HydrophobicContact CD1-CE1 4.02Å; L16-F42 HydrophobicContact CD2-CD1 3.95Å; L16-F42 HydrophobicContact CD2-CE1 4.03Å; L16-F42 HydrophobicContact CG-CD1 4.46Å; L16-F42 HydrophobicContact CG-CE1 4.43Å; I20-F42 HydrophobicContact CD1-CB 4.01Å; I20-F42 HydrophobicContact CD1-CD1 3.92Å; I20-F42 HydrophobicContact CD1-CD2 3.92Å; I20-F42 HydrophobicContact CD1-CE1 4.31Å; I20-F42 HydrophobicContact CD1-CE2 4.32Å; I20-F42 HydrophobicContact CD1-CG 3.68Å; I20-F42 HydrophobicContact CD1-CZ 4.48Å; L33-F42 HydrophobicContact CB-CD2 4.43Å; L33-F42 HydrophobicContact CD1-CD2 4.37Å; L33-F42 HydrophobicContact CD1-CE2 4Å; S34-F42 WeakPolarHBondContact O-CB 3.39Å; P36-F42 HydrophobicContact CB-CB 4.39Å; F42-S66 VanDerWaalsContact CD1-CB 3.47Å; F42-S66 PolarHBondContact N-OG 2.8Å; F42-S66 VanDerWaalsContact O-CB 3.28Å; F42-S66 WeakPolarHBondContact O-CB 3.25Å; F42-S66 PolarHBondContact O-N 3.18Å; F42-S66 PolarHBondContact O-OG 2.87Å; F42-L114 HydrophobicContact CD2-CD2 3.68Å; F42-L114 HydrophobicContact CD2-CG 4.46Å; F42-L114 HydrophobicContact CE2-CD2 3.53Å; F42-L114 HydrophobicContact CE2-CG 3.86Å; F42-L114 HydrophobicContact CZ-CD2 4.47Å; F42-L115 HydrophobicContact CE1-CD2 3.77Å; F42-L115 HydrophobicContact CZ-CD2 3.52Å; F42-L118 HydrophobicContact CE1-CD2 4.35Å; F42-L118 HydrophobicContact CE2-CD2 4.18Å; F42-L118 HydrophobicContact CZ-CD2 3.58Å
43H95.8Very high88.2Confident71 Ų7149.3 Ų49.333%0.32925%0.25SS..EExtended strand (participates in β ladder)trans-127.8151.7-174.3-62.278.1000110.4L33 S34 V64L33-H43 WeakPolarHBondContact CA-O 3.46Å; S34-H43 PolarHBondContact N-O 3.34Å; S34-H43 PolarHBondContact OG-N 2.81Å; S34-H43 PolarHBondContact OG-O 3.41Å; H43-V64 WeakPolarHBondContact CA-O 3.3Å
44G92.6Very high86.4Confident4 Ų452.9 Ų52.94%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-151.6157.417500000111.2R63 V64G44-R63 CarbonylContact O-C 3.54Å; G44-R63 WeakPolarHBondContact O-CA 3.27Å; G44-V64 PolarHBondContact N-O 2.92Å; G44-V64 PolarHBondContact O-N 3.33Å
45V92.4Very high84.7Confident39 Ų3955.7 Ų55.724%0.23630%0.297CS..EExtended strand (participates in β ladder)trans-88.1120.9168177.30000107.9F31 C61 I62F31-V45 HydrophobicContact CB-CB 3.76Å; F31-V45 HydrophobicContact CB-CG1 4.49Å; F31-V45 WeakPolarHBondContact CB-O 3.41Å; F31-V45 HydrophobicContact CD1-CB 4.12Å; F31-V45 HydrophobicContact CD1-CG1 4.22Å; F31-V45 HydrophobicContact CD2-CB 3.84Å; F31-V45 HydrophobicContact CD2-CG1 3.61Å; F31-V45 WeakPolarHBondContact CD2-O 3.41Å; F31-V45 HydrophobicContact CE1-CG1 4.37Å; F31-V45 HydrophobicContact CE2-CB 4.47Å; F31-V45 HydrophobicContact CE2-CG1 3.77Å; F31-V45 HydrophobicContact CG-CB 3.63Å; F31-V45 HydrophobicContact CG-CG1 3.85Å; F31-V45 HydrophobicContact CZ-CG1 4.15Å; V45-C61 HydrophobicContact CG1-CB 3.65Å; V45-I62 CarbonylContact C-O 3.58Å; V45-I62 WeakPolarHBondContact CA-O 3.36Å
46M93.2Very high83.5Confident0 Ų057.3 Ų57.30%030%0.298CS..EExtended strand (participates in β ladder)trans-107.2142.8179.5-68.3-176.971.500110.4F48 C61 I62 V64 P113 L114 Q117 F129M46-F48 HydrophobicContact CB-CD2 4.33Å; M46-F48 HydrophobicContact CB-CE2 3.43Å; M46-F48 VanDerWaalsContact CB-CE2 3.43Å; M46-F48 HydrophobicContact CB-CZ 3.75Å; M46-F48 HydrophobicContact CE-CZ 4.03Å; M46-F48 HydrophobicContact SD-CZ 4.22Å; M46-C61 CarbonylContact O-C 3.58Å; M46-C61 WeakPolarHBondContact O-CA 3.36Å; M46-I62 PolarHBondContact N-O 3.39Å; M46-I62 PolarHBondContact O-N 3.12Å; M46-V64 HydrophobicContact CB-CG2 3.95Å; M46-V64 HydrophobicContact CG-CB 4.1Å; M46-V64 HydrophobicContact CG-CG2 3.97Å; M46-V64 HydrophobicContact SD-CB 3.69Å; M46-V64 HydrophobicContact SD-CG1 3.78Å; M46-V64 HydrophobicContact SD-CG2 3.73Å; M46-P113 VanDerWaalsContact CE-C 3.47Å; M46-P113 HydrophobicContact CE-CB 3.69Å; M46-P113 WeakPolarHBondContact CE-O 3.37Å; M46-P113 HydrophobicContact SD-CB 4.11Å; M46-L114 HydrophobicContact CG-CD1 3.54Å; M46-L114 VanDerWaalsContact SD-CA 3.55Å; M46-L114 HydrophobicContact SD-CB 3.79Å; M46-L114 HydrophobicContact SD-CD1 3.6Å; M46-L114 HydrophobicContact SD-CG 4.34Å; M46-L114 PolarHBondContact SD-N 2.91Å; M46-Q117 HydrophobicContact CE-CB 4.12Å; M46-F129 HydrophobicContact CE-CD2 3.56Å; M46-F129 HydrophobicContact CE-CE1 4.44Å; M46-F129 HydrophobicContact CE-CE2 3.1Å; M46-F129 HydrophobicContact CE-CG 4.4Å; M46-F129 HydrophobicContact CE-CZ 3.61Å
47R90.1Very high82.5Confident36 Ų3658.7 Ų58.714%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-99131.5178.3-177.8179.1-62.9-66.1-17.3110.1Y49 T59 C61 T203R47-Y49 WeakPolarHBondContact CD-OH 3.1Å; R47-Y49 HydrophobicContact CG-CE2 3.83Å; R47-T59 HydrophobicContact CG-CG2 3.45Å; R47-T59 VanDerWaalsContact CG-CG2 3.45Å; R47-C61 VanDerWaalsContact CZ-SG 3.54Å; R47-C61 PolarHBondContact NH2-SG 3.14Å; R47-C61 VanDerWaalsContact NH2-SG 3.39Å; R47-T203 VanDerWaalsContact NH2-CB 3.3Å; R47-T203 PolarHBondContact NH2-O 2.85Å
48F92.7Very high82Confident0 Ų058.4 Ų58.40%031%0.309CS..EExtended strand (participates in β ladder)trans-125.8142.1179.3-61.9-86.6000110.3M46 T59 K60 I62 V64 V73 L77 F81 L95 F129M46-F48 HydrophobicContact CB-CD2 4.33Å; M46-F48 HydrophobicContact CB-CE2 3.43Å; M46-F48 VanDerWaalsContact CB-CE2 3.43Å; M46-F48 HydrophobicContact CB-CZ 3.75Å; M46-F48 HydrophobicContact CE-CZ 4.03Å; M46-F48 HydrophobicContact SD-CZ 4.22Å; F48-T59 WeakPolarHBondContact O-CA 3.37Å; F48-K60 PolarHBondContact N-O 3.07Å; F48-K60 PolarHBondContact O-N 3.37Å; F48-I62 HydrophobicContact CD2-CD1 4.29Å; F48-I62 HydrophobicContact CD2-CG1 3.8Å; F48-I62 HydrophobicContact CE2-CD1 3.76Å; F48-I62 HydrophobicContact CE2-CG1 3.39Å; F48-I62 HydrophobicContact CZ-CD1 4.41Å; F48-I62 HydrophobicContact CZ-CG1 4.43Å; F48-V64 HydrophobicContact CE2-CG2 4.26Å; F48-V64 HydrophobicContact CZ-CG2 4.41Å; F48-V73 HydrophobicContact CE1-CG1 3.69Å; F48-V73 HydrophobicContact CE2-CG1 4.28Å; F48-V73 HydrophobicContact CZ-CG1 3.49Å; F48-V73 VanDerWaalsContact CZ-CG1 3.49Å; F48-L77 HydrophobicContact CB-CD1 4.01Å; F48-L77 HydrophobicContact CB-CD2 3.77Å; F48-L77 HydrophobicContact CD1-CD1 3.52Å; F48-L77 HydrophobicContact CD1-CD2 4.43Å; F48-L77 HydrophobicContact CD2-CD1 4.15Å; F48-L77 HydrophobicContact CD2-CD2 3.59Å; F48-L77 HydrophobicContact CD2-CG 4.39Å; F48-L77 HydrophobicContact CE1-CD1 3.98Å; F48-L77 HydrophobicContact CE2-CD2 4.28Å; F48-L77 HydrophobicContact CG-CD1 3.61Å; F48-L77 HydrophobicContact CG-CD2 3.66Å; F48-L77 HydrophobicContact CG-CG 4.25Å; F48-L77 HydrophobicContact CZ-CD1 4.45Å; F48-F81 HydrophobicContact CB-CE2 4.35Å; F48-L95 HydrophobicContact CD1-CD1 3.75Å; F48-L95 HydrophobicContact CE1-CD1 3.88Å; F48-L95 HydrophobicContact CE1-CD2 4Å; F48-F129 WeakPolarHBondContact CA-O 3.49Å; F48-F129 HydrophobicContact CD1-CB 3.43Å; F48-F129 VanDerWaalsContact CD1-CB 3.43Å; F48-F129 HydrophobicContact CD1-CG 4.2Å; F48-F129 HydrophobicContact CE1-CB 3.67Å; F48-F129 HydrophobicContact CE1-CD2 4.34Å; F48-F129 AromaticContact CE1-CG 3.93Å; F48-F129 HydrophobicContact CE1-CG 3.93Å; F48-F129 HydrophobicContact CG-CB 4.38Å
49Y90Very high81.8Confident27 Ų2754.2 Ų54.211%0.10629%0.293CS..EExtended strand (participates in β ladder)trans-111.6145179.9-63-93.5000109.2R47 M57 A58 T59 R128 F129 L130 L131 L191R47-Y49 WeakPolarHBondContact CD-OH 3.1Å; R47-Y49 HydrophobicContact CG-CE2 3.83Å; Y49-M57 HydrophobicContact CD1-CG 3.75Å; Y49-M57 HydrophobicContact CG-CG 4.34Å; Y49-A58 CarbonylContact C-O 3.13Å; Y49-A58 WeakPolarHBondContact CA-O 3.22Å; Y49-T59 HydrophobicContact CD1-CG2 4.2Å; Y49-T59 WeakPolarHBondContact CD1-OG1 3.25Å; Y49-T59 HydrophobicContact CE1-CG2 4Å; Y49-T59 WeakPolarHBondContact CE1-OG1 3.33Å; Y49-R128 HydrophobicContact CD2-CB 3.97Å; Y49-R128 HydrophobicContact CD2-CG 4.48Å; Y49-R128 HydrophobicContact CE2-CB 3.77Å; Y49-R128 HydrophobicContact CE2-CG 3.81Å; Y49-R128 PolarHBondContact OH-NH1 2.96Å; Y49-F129 WeakPolarHBondContact CD2-O 3.37Å; Y49-F129 PolarHBondContact N-O 2.93Å; Y49-L130 WeakPolarHBondContact O-CA 3.32Å; Y49-L131 PolarHBondContact O-N 3.27Å; Y49-L191 HydrophobicContact CD1-CD2 3.66Å; Y49-L191 HydrophobicContact CD2-CD2 3.92Å; Y49-L191 HydrophobicContact CE1-CD2 4.23Å; Y49-L191 HydrophobicContact CE2-CD2 4.49Å; Y49-L191 HydrophobicContact CG-CD2 3.46Å; Y49-L191 VanDerWaalsContact CG-CD2 3.46Å
50F85.1Confident81.7Confident17 Ų1752.5 Ų52.58%0.07528%0.283CS..EExtended strand (participates in β ladder)trans-143132.9177.5177.1-113.4000109.1E52 A58 F81 H82 Y93 L131F50-E52 HydrophobicContact CE1-CB 4.06Å; F50-E52 HydrophobicContact CZ-CB 4.42Å; F50-A58 PolarHBondContact N-O 3.45Å; F50-A58 PolarHBondContact O-N 2.85Å; F50-F81 HydrophobicContact CB-CD1 3.74Å; F50-F81 HydrophobicContact CB-CD2 4.2Å; F50-F81 HydrophobicContact CB-CE1 3.46Å; F50-F81 VanDerWaalsContact CB-CE1 3.46Å; F50-F81 HydrophobicContact CB-CE2 3.94Å; F50-F81 HydrophobicContact CB-CG 4.11Å; F50-F81 HydrophobicContact CB-CZ 3.56Å; F50-F81 HydrophobicContact CD1-CB 4.45Å; F50-F81 AromaticContact CD1-CD1 3.98Å; F50-F81 HydrophobicContact CD1-CD1 3.98Å; F50-F81 HydrophobicContact CD1-CE1 4.48Å; F50-F81 HydrophobicContact CD1-CG 4.3Å; F50-F81 HydrophobicContact CG-CD1 4.16Å; F50-F81 HydrophobicContact CG-CE1 4.36Å; F50-F81 HydrophobicContact CG-CG 4.32Å; F50-H82 AromaticContact CE1-CE1 3.98Å; F50-H82 AromaticContact CE1-NE2 3.29Å; F50-H82 VanDerWaalsContact CE1-NE2 3.29Å; F50-H82 WeakPolarHBondContact CE1-NE2 3.39Å; F50-H82 AromaticContact CZ-NE2 3.33Å; F50-H82 VanDerWaalsContact CZ-NE2 3.33Å; F50-H82 WeakPolarHBondContact CZ-NE2 3.44Å; F50-Y93 HydrophobicContact CD2-CE1 4.46Å; F50-Y93 HydrophobicContact CE2-CD1 4.35Å; F50-Y93 AromaticContact CE2-CE1 3.64Å; F50-Y93 HydrophobicContact CE2-CE1 3.64Å; F50-Y93 HydrophobicContact CZ-CE1 4.11Å; F50-L131 HydrophobicContact CD2-CB 4.21Å; F50-L131 HydrophobicContact CD2-CD2 4.17Å; F50-L131 HydrophobicContact CD2-CG 4.31Å; F50-L131 WeakPolarHBondContact CD2-O 3.49Å
51Q73.6Confident81.5Confident62 Ų6253.2 Ų53.229%0.2929%0.291SS..  trans-118.9120.2175.1-169.7176.89.700109.1M57 L190Q51-M57 HydrophobicContact CB-CE 3.95Å; Q51-M57 HydrophobicContact CB-SD 3.84Å; Q51-M57 HydrophobicContact CG-CE 4.45Å; Q51-L190 VanDerWaalsContact NE2-CD1 3.34Å
52E68.3Low81.3Confident77 Ų7751.9 Ų51.936%0.3629%0.285SS..  trans-86.8151.2168.2-166.5165.2-136.800109.6F50 G54 Q55 H82F50-E52 HydrophobicContact CE1-CB 4.06Å; F50-E52 HydrophobicContact CZ-CB 4.42Å; E52-G54 PolarHBondContact O-N 3.13Å; E52-Q55 HydrophobicContact CB-CB 4.27Å; E52-Q55 HydrophobicContact CB-CG 4.37Å; E52-Q55 PolarHBondContact O-N 3.22Å; E52-Q55 PolarHBondContact OE2-NE2 2.79Å; E52-Q55 PolarHBondContact OE2-OE1 3.22Å; E52-H82 IonicContact OE1-CE1 3.77Å
53S58.6Low81.1Confident100 Ų10061.3 Ų61.370%0.69932%0.321SS*.THydrogen-bonded Turntrans-52.7111.3-173.8-48.10000111.9Q55S53-Q55 VanDerWaalsContact C-N 3.34Å; S53-Q55 PolarHBondContact O-N 3.14Å
54G54.2Low81.1Confident84 Ų8458.2 Ų58.287%0.86631%0.307SS*.THydrogen-bonded Turntrans79.55.717900000115.9E52E52-G54 PolarHBondContact O-N 3.13Å
55Q58.9Low81.3Confident109 Ų10958.8 Ų58.851%0.50931%0.31SS..SBendtrans-102.9162.8175.8-64.9-17418.100112.4E52 S53E52-Q55 HydrophobicContact CB-CB 4.27Å; E52-Q55 HydrophobicContact CB-CG 4.37Å; E52-Q55 PolarHBondContact O-N 3.22Å; E52-Q55 PolarHBondContact OE2-NE2 2.79Å; E52-Q55 PolarHBondContact OE2-OE1 3.22Å; S53-Q55 VanDerWaalsContact C-N 3.34Å; S53-Q55 PolarHBondContact O-N 3.14Å
56R66.4Low81.5Confident164 Ų16457.2 Ų57.262%0.61930%0.301SS*.  trans-63.9156.7172.1-78.4-173155.5-179-5.3111.7A58 E194R56-A58 PolarHBondContact O-N 3.28Å; R56-A58 VanDerWaalsContact O-N 3.17Å; R56-E194 IonicContact CZ-OE1 3.41Å; R56-E194 IonicContact NE-OE1 2.9Å; R56-E194 IonicContact NH2-OE1 3.28Å; R56-E194 PolarHBondContact NH2-OE1 3.25Å
57M74.3Confident81.5Confident30 Ų3060.5 Ų60.515%0.14832%0.321CS..  trans-65112.4177.8-165.868.964.300111.2Y49 Q51 L130 L190 L191Y49-M57 HydrophobicContact CD1-CG 3.75Å; Y49-M57 HydrophobicContact CG-CG 4.34Å; Q51-M57 HydrophobicContact CB-CE 3.95Å; Q51-M57 HydrophobicContact CB-SD 3.84Å; Q51-M57 HydrophobicContact CG-CE 4.45Å; M57-L130 HydrophobicContact CE-CD1 4.29Å; M57-L130 HydrophobicContact SD-CD1 3.88Å; M57-L190 HydrophobicContact CE-CB 4.15Å; M57-L191 HydrophobicContact CE-CD2 4.11Å; M57-L191 HydrophobicContact CE-CG 4.09Å; M57-L191 HydrophobicContact CG-CD2 4.33Å; M57-L191 HydrophobicContact SD-CD2 4.27Å
58A78.2Confident81.9Confident42 Ų4259.9 Ų59.935%0.34732%0.323SS..EExtended strand (participates in β ladder)trans-80.4144.6171.400000110.2Y49 F50 R56 F81Y49-A58 CarbonylContact C-O 3.13Å; Y49-A58 WeakPolarHBondContact CA-O 3.22Å; F50-A58 PolarHBondContact N-O 3.45Å; F50-A58 PolarHBondContact O-N 2.85Å; R56-A58 PolarHBondContact O-N 3.28Å; R56-A58 VanDerWaalsContact O-N 3.17Å; A58-F81 HydrophobicContact CB-CD1 4.24Å; A58-F81 HydrophobicContact CB-CE1 3.79Å
59T82.8Confident82.1Confident56 Ų5662.2 Ų62.234%0.34434%0.338SS..EExtended strand (participates in β ladder)trans-128.2132.8-179.7-53.10000111R47 F48 Y49R47-T59 HydrophobicContact CG-CG2 3.45Å; R47-T59 VanDerWaalsContact CG-CG2 3.45Å; F48-T59 WeakPolarHBondContact O-CA 3.37Å; Y49-T59 HydrophobicContact CD1-CG2 4.2Å; Y49-T59 WeakPolarHBondContact CD1-OG1 3.25Å; Y49-T59 HydrophobicContact CE1-CG2 4Å; Y49-T59 WeakPolarHBondContact CE1-OG1 3.33Å
60K84.9Confident82.4Confident97 Ų9761 Ų6142%0.42233%0.333SS..EExtended strand (participates in β ladder)trans-131.2149.2173.9-65.7-70.4-176.4-178.90110.3F48 K80 F81F48-K60 PolarHBondContact N-O 3.07Å; F48-K60 PolarHBondContact O-N 3.37Å; K60-K80 WeakPolarHBondContact CE-O 3.48Å; K60-F81 HydrophobicContact CB-CE1 4.07Å; K60-F81 HydrophobicContact CB-CE2 3.88Å; K60-F81 HydrophobicContact CB-CZ 3.61Å; K60-F81 HydrophobicContact CG-CD1 3.75Å; K60-F81 HydrophobicContact CG-CD2 4.22Å; K60-F81 HydrophobicContact CG-CE1 3.37Å; K60-F81 HydrophobicContact CG-CE2 3.9Å; K60-F81 HydrophobicContact CG-CG 4.16Å; K60-F81 HydrophobicContact CG-CZ 3.46Å; K60-F81 VanDerWaalsContact CG-CZ 3.46Å
61C88.3Confident82.8Confident52 Ų5267.7 Ų67.735%0.35136%0.358SS..EExtended strand (participates in β ladder)trans-115.1135.8172.6-59.30000109.3F31 V45 M46 R47F31-C61 HydrophobicContact CE2-CB 4.3Å; F31-C61 VanDerWaalsContact CE2-SG 3.6Å; V45-C61 HydrophobicContact CG1-CB 3.65Å; M46-C61 CarbonylContact O-C 3.58Å; M46-C61 WeakPolarHBondContact O-CA 3.36Å; R47-C61 VanDerWaalsContact CZ-SG 3.54Å; R47-C61 PolarHBondContact NH2-SG 3.14Å; R47-C61 VanDerWaalsContact NH2-SG 3.39Å
62I89.7Confident83.7Confident19 Ų1966.7 Ų66.710%0.09736%0.361CS..EExtended strand (participates in β ladder)trans-131.2149.517459.3165000109.9V45 M46 F48 V64 V73 A76 L77 K80V45-I62 CarbonylContact C-O 3.58Å; V45-I62 WeakPolarHBondContact CA-O 3.36Å; M46-I62 PolarHBondContact N-O 3.39Å; M46-I62 PolarHBondContact O-N 3.12Å; F48-I62 HydrophobicContact CD2-CD1 4.29Å; F48-I62 HydrophobicContact CD2-CG1 3.8Å; F48-I62 HydrophobicContact CE2-CD1 3.76Å; F48-I62 HydrophobicContact CE2-CG1 3.39Å; F48-I62 HydrophobicContact CZ-CD1 4.41Å; F48-I62 HydrophobicContact CZ-CG1 4.43Å; I62-V64 HydrophobicContact CD1-CG2 3.88Å; I62-V64 HydrophobicContact CG1-CG2 3.76Å; I62-V73 HydrophobicContact CD1-CG1 4.2Å; I62-A76 HydrophobicContact CD1-CB 4.18Å; I62-L77 HydrophobicContact CD1-CD2 3.85Å; I62-L77 HydrophobicContact CD1-CG 4.07Å; I62-L77 HydrophobicContact CG1-CD2 4.16Å; I62-L77 HydrophobicContact CG2-CD2 4.19Å; I62-K80 HydrophobicContact CG2-CG 4.02Å
63R93Very high85Confident202 Ų20263.2 Ų63.276%0.76235%0.345SS*.EExtended strand (participates in β ladder)trans-76127.9170.1-174177-73.5158.9-4.7108.4G44G44-R63 CarbonylContact O-C 3.54Å; G44-R63 WeakPolarHBondContact O-CA 3.27Å
64V95.6Very high86.6Confident5 Ų559.6 Ų59.63%0.0332%0.317CS..EExtended strand (participates in β ladder)trans-125.6136.6-176.8-175.50000108.2H43 G44 M46 F48 I62 A68 V73 L114H43-V64 WeakPolarHBondContact CA-O 3.3Å; G44-V64 PolarHBondContact N-O 2.92Å; G44-V64 PolarHBondContact O-N 3.33Å; M46-V64 HydrophobicContact CB-CG2 3.95Å; M46-V64 HydrophobicContact CG-CB 4.1Å; M46-V64 HydrophobicContact CG-CG2 3.97Å; M46-V64 HydrophobicContact SD-CB 3.69Å; M46-V64 HydrophobicContact SD-CG1 3.78Å; M46-V64 HydrophobicContact SD-CG2 3.73Å; F48-V64 HydrophobicContact CE2-CG2 4.26Å; F48-V64 HydrophobicContact CZ-CG2 4.41Å; I62-V64 HydrophobicContact CD1-CG2 3.88Å; I62-V64 HydrophobicContact CG1-CG2 3.76Å; V64-A68 HydrophobicContact CG1-CB 3.86Å; V64-V73 HydrophobicContact CG1-CG2 3.86Å; V64-V73 HydrophobicContact CG2-CG2 4.35Å; V64-L114 HydrophobicContact CG1-CB 4.2Å; V64-L114 WeakPolarHBondContact O-CD2 3.32Å
65S96.3Very high88.2Confident17 Ų1761.3 Ų61.312%0.11930%0.303CS..EExtended strand (participates in β ladder)trans-83.2148.6168.5167.50000110.6E41 T67 A68E41-S65 VanDerWaalsContact CD-OG 3.29Å; E41-S65 WeakPolarHBondContact CG-OG 3.43Å; E41-S65 PolarHBondContact OE1-OG 2.97Å; S65-T67 PolarHBondContact O-N 3.16Å; S65-T67 VanDerWaalsContact O-N 3.1Å; S65-T67 PolarHBondContact OG-N 2.79Å; S65-T67 PolarHBondContact OG-OG1 2.95Å; S65-A68 WeakPolarHBondContact O-CB 3.4Å; S65-A68 PolarHBondContact O-N 2.71Å
66S96.8Very high89.6Confident6 Ų657.8 Ų57.84%0.04229%0.292CS..THydrogen-bonded Turntrans-55.1-18.9167.464.10000114.1E41 F42 K112E41-S66 WeakPolarHBondContact CA-OG 3.41Å; F42-S66 VanDerWaalsContact CD1-CB 3.47Å; F42-S66 PolarHBondContact N-OG 2.8Å; F42-S66 VanDerWaalsContact O-CB 3.28Å; F42-S66 WeakPolarHBondContact O-CB 3.25Å; F42-S66 PolarHBondContact O-N 3.18Å; F42-S66 PolarHBondContact O-OG 2.87Å; S66-K112 VanDerWaalsContact O-CD 3.3Å; S66-K112 WeakPolarHBondContact O-CD 3.26Å
67T94.7Very high90.7Very high69 Ų6950 Ų5042%0.42326%0.263SS..THydrogen-bonded Turntrans-94.8-14.2176.3640000113.4E41 S65 T69E41-T67 HydrophobicContact CB-CG2 4.3Å; E41-T67 HydrophobicContact CG-CG2 4.05Å; E41-T67 WeakPolarHBondContact OE1-CG2 3.13Å; E41-T67 PolarHBondContact OE1-OG1 3.43Å; S65-T67 PolarHBondContact O-N 3.16Å; S65-T67 VanDerWaalsContact O-N 3.1Å; S65-T67 PolarHBondContact OG-N 2.79Å; S65-T67 PolarHBondContact OG-OG1 2.95Å; T67-T69 PolarHBondContact O-N 3Å
68A97.1Very high91.1Very high22 Ų2250.6 Ų50.618%0.18227%0.266CS..  trans-67.3128.8-177.300000111.3V64 S65 V73 K112 P113V64-A68 HydrophobicContact CG1-CB 3.86Å; S65-A68 WeakPolarHBondContact O-CB 3.4Å; S65-A68 PolarHBondContact O-N 2.71Å; A68-V73 HydrophobicContact CB-CG2 4.36Å; A68-K112 WeakPolarHBondContact O-CA 3.41Å; A68-P113 WeakPolarHBondContact O-CD 3.28Å
69T97.3Very high91.1Very high49 Ų4954.9 Ų54.930%0.30128%0.279SS..  trans-81.8160.1178.8610000111.8T67 R71 A72 V73 P109 E111T67-T69 PolarHBondContact O-N 3Å; T69-R71 PolarHBondContact O-N 2.53Å; T69-A72 PolarHBondContact O-N 2.95Å; T69-A72 VanDerWaalsContact O-N 3.12Å; T69-A72 PolarHBondContact OG1-N 3.02Å; T69-V73 PolarHBondContact O-N 2.91Å; T69-P109 WeakPolarHBondContact CB-O 3.48Å; T69-E111 CarbonylContact C-O 3.4Å; T69-E111 VanDerWaalsContact CA-O 3.25Å; T69-E111 WeakPolarHBondContact CA-O 3.49Å
70T96.7Very high90.9Very high2 Ų257.6 Ų57.61%0.01229%0.286CS..Hα-helixtrans-51.3-38.8172.2-59.10000111.8V73 I74 L95 L107 L108 P109 E111T70-V73 PolarHBondContact O-N 3.42Å; T70-I74 HydrophobicContact CG2-CD1 3.78Å; T70-I74 HydrophobicContact CG2-CG1 4.36Å; T70-I74 VanDerWaalsContact O-CG1 3.28Å; T70-I74 WeakPolarHBondContact O-CG1 3.41Å; T70-I74 PolarHBondContact O-N 3.1Å; T70-L95 HydrophobicContact CG2-CB 3.76Å; T70-L95 HydrophobicContact CG2-CD2 4.04Å; T70-L107 HydrophobicContact CG2-CB 4.02Å; T70-L108 WeakPolarHBondContact CB-O 3.47Å; T70-L108 PolarHBondContact OG1-O 3.31Å; T70-P109 PolarHBondContact N-O 3.41Å; T70-E111 PolarHBondContact N-O 2.65Å; T70-E111 PolarHBondContact OG1-O 3.28Å
71R92.9Very high90.5Very high157 Ų15754.5 Ų54.559%0.59227%0.273SS*.Hα-helixtrans-59.8-51.4176.7-175.2-179.1-61.2160.93.8112.2T69 V73 I74 E75 P109T69-R71 PolarHBondContact O-N 2.53Å; R71-V73 VanDerWaalsContact C-N 3.29Å; R71-V73 PolarHBondContact O-N 3.03Å; R71-I74 PolarHBondContact O-N 3.17Å; R71-E75 WeakPolarHBondContact O-CG 3.44Å; R71-E75 PolarHBondContact O-N 2.85Å; R71-E75 VanDerWaalsContact O-N 3.07Å; R71-P109 PolarHBondContact N-O 3.3Å; R71-P109 VanDerWaalsContact N-O 3.13Å
72A92.8Very high89.5Confident42 Ų4253.6 Ų53.635%0.34726%0.263SS..Hα-helixtrans-63.4-37.7179.900000111.8T69 E75 A76T69-A72 PolarHBondContact O-N 2.95Å; T69-A72 VanDerWaalsContact O-N 3.12Å; T69-A72 PolarHBondContact OG1-N 3.02Å; A72-E75 PolarHBondContact O-N 3.49Å; A72-A76 PolarHBondContact O-N 3.41Å; A72-A76 VanDerWaalsContact O-N 3.09Å
73V94.6Very high87.9Confident4 Ų456.5 Ų56.52%0.02429%0.29CS..Hα-helixtrans-64.5-44.3175.5167.50000111.4F48 I62 V64 A68 T69 T70 R71 E75 A76 L77 L95 P113F48-V73 HydrophobicContact CE1-CG1 3.69Å; F48-V73 HydrophobicContact CE2-CG1 4.28Å; F48-V73 HydrophobicContact CZ-CG1 3.49Å; F48-V73 VanDerWaalsContact CZ-CG1 3.49Å; I62-V73 HydrophobicContact CD1-CG1 4.2Å; V64-V73 HydrophobicContact CG1-CG2 3.86Å; V64-V73 HydrophobicContact CG2-CG2 4.35Å; A68-V73 HydrophobicContact CB-CG2 4.36Å; T69-V73 PolarHBondContact O-N 2.91Å; T70-V73 PolarHBondContact O-N 3.42Å; R71-V73 VanDerWaalsContact C-N 3.29Å; R71-V73 PolarHBondContact O-N 3.03Å; V73-E75 PolarHBondContact O-N 2.75Å; V73-A76 PolarHBondContact O-N 3.12Å; V73-L77 HydrophobicContact CG1-CD1 3.86Å; V73-L77 HydrophobicContact CG1-CG 4.33Å; V73-L77 VanDerWaalsContact O-CG 3.22Å; V73-L77 WeakPolarHBondContact O-CG 3.36Å; V73-L77 PolarHBondContact O-N 3.41Å; V73-L95 HydrophobicContact CG1-CD2 4.09Å; V73-P113 HydrophobicContact CB-CG 4.3Å; V73-P113 HydrophobicContact CG1-CG 4.45Å; V73-P113 HydrophobicContact CG2-CG 4.01Å
74I92.2Very high85.7Confident23 Ų2354.1 Ų54.112%0.11829%0.292CS..Hα-helixtrans-60.7-44.9176.9-72.5167.1000111T70 R71 A76 L77 I78 L95 L131T70-I74 HydrophobicContact CG2-CD1 3.78Å; T70-I74 HydrophobicContact CG2-CG1 4.36Å; T70-I74 VanDerWaalsContact O-CG1 3.28Å; T70-I74 WeakPolarHBondContact O-CG1 3.41Å; T70-I74 PolarHBondContact O-N 3.1Å; R71-I74 PolarHBondContact O-N 3.17Å; I74-A76 PolarHBondContact O-N 3.42Å; I74-L77 PolarHBondContact O-N 3.34Å; I74-L77 VanDerWaalsContact O-N 3.15Å; I74-I78 HydrophobicContact CG2-CD1 3.79Å; I74-I78 HydrophobicContact CG2-CG1 4.32Å; I74-I78 VanDerWaalsContact O-CG1 3.3Å; I74-I78 WeakPolarHBondContact O-CG1 3.33Å; I74-I78 PolarHBondContact O-N 2.86Å; I74-L95 HydrophobicContact CD1-CB 4.07Å; I74-L95 HydrophobicContact CG1-CB 4.11Å; I74-L131 HydrophobicContact CG1-CD1 4.08Å; I74-L131 HydrophobicContact CG2-CD1 4.38Å
75E88Confident83.3Confident121 Ų12158.9 Ų58.957%0.56532%0.317SS*.Hα-helixtrans-58-46.8177.4-72169.3-168.800111.6R71 A72 V73 L77 I78 E79R71-E75 WeakPolarHBondContact O-CG 3.44Å; R71-E75 PolarHBondContact O-N 2.85Å; R71-E75 VanDerWaalsContact O-N 3.07Å; A72-E75 PolarHBondContact O-N 3.49Å; V73-E75 PolarHBondContact O-N 2.75Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.96Å; E75-I78 PolarHBondContact O-N 3.4Å; E75-E79 PolarHBondContact O-N 3.01Å
76A89Confident81Confident35 Ų3569.4 Ų69.429%0.28935%0.354SS..Hα-helixtrans-63.3-35.7175.800000112.8I62 A72 V73 I74 K80I62-A76 HydrophobicContact CD1-CB 4.18Å; A72-A76 PolarHBondContact O-N 3.41Å; A72-A76 VanDerWaalsContact O-N 3.09Å; V73-A76 PolarHBondContact O-N 3.12Å; I74-A76 PolarHBondContact O-N 3.42Å; A76-K80 WeakPolarHBondContact O-CG 3.3Å; A76-K80 PolarHBondContact O-N 2.91Å
77L89.3Confident78.4Confident0 Ų076.5 Ų76.50%039%0.391CS..Hα-helixtrans-73-36.5178.7-69.9172.8000112.9F48 I62 V73 I74 E75 E79 K80 F81 L95 L131F48-L77 HydrophobicContact CB-CD1 4.01Å; F48-L77 HydrophobicContact CB-CD2 3.77Å; F48-L77 HydrophobicContact CD1-CD1 3.52Å; F48-L77 HydrophobicContact CD1-CD2 4.43Å; F48-L77 HydrophobicContact CD2-CD1 4.15Å; F48-L77 HydrophobicContact CD2-CD2 3.59Å; F48-L77 HydrophobicContact CD2-CG 4.39Å; F48-L77 HydrophobicContact CE1-CD1 3.98Å; F48-L77 HydrophobicContact CE2-CD2 4.28Å; F48-L77 HydrophobicContact CG-CD1 3.61Å; F48-L77 HydrophobicContact CG-CD2 3.66Å; F48-L77 HydrophobicContact CG-CG 4.25Å; F48-L77 HydrophobicContact CZ-CD1 4.45Å; I62-L77 HydrophobicContact CD1-CD2 3.85Å; I62-L77 HydrophobicContact CD1-CG 4.07Å; I62-L77 HydrophobicContact CG1-CD2 4.16Å; I62-L77 HydrophobicContact CG2-CD2 4.19Å; V73-L77 HydrophobicContact CG1-CD1 3.86Å; V73-L77 HydrophobicContact CG1-CG 4.33Å; V73-L77 VanDerWaalsContact O-CG 3.22Å; V73-L77 WeakPolarHBondContact O-CG 3.36Å; V73-L77 PolarHBondContact O-N 3.41Å; I74-L77 PolarHBondContact O-N 3.34Å; I74-L77 VanDerWaalsContact O-N 3.15Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.96Å; L77-E79 VanDerWaalsContact C-N 3.26Å; L77-E79 PolarHBondContact O-N 3.19Å; L77-K80 PolarHBondContact O-N 2.97Å; L77-K80 VanDerWaalsContact O-N 3.08Å; L77-F81 HydrophobicContact CB-CD2 4.23Å; L77-F81 HydrophobicContact CD2-CD2 4.4Å; L77-F81 HydrophobicContact CD2-CE2 4.04Å; L77-F81 WeakPolarHBondContact O-CD2 3.47Å; L77-F81 PolarHBondContact O-N 3.27Å; L77-L95 HydrophobicContact CD1-CD1 4.38Å; L77-L131 HydrophobicContact CB-CD2 3.99Å; L77-L131 HydrophobicContact CD1-CD1 4.24Å
78I82.9Confident75.9Confident43 Ų4379.9 Ų79.922%0.22141%0.405CS..Hα-helixtrans-58.7-43.7174.6-69.1165.3000109.6I74 E75 K80 H82 Y93I74-I78 HydrophobicContact CG2-CD1 3.79Å; I74-I78 HydrophobicContact CG2-CG1 4.32Å; I74-I78 VanDerWaalsContact O-CG1 3.3Å; I74-I78 WeakPolarHBondContact O-CG1 3.33Å; I74-I78 PolarHBondContact O-N 2.86Å; E75-I78 PolarHBondContact O-N 3.4Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 3.02Å; I78-H82 CarbonylContact O-C 3.51Å; I78-H82 WeakPolarHBondContact O-CA 3.3Å; I78-H82 PolarHBondContact O-N 3.26Å; I78-Y93 HydrophobicContact CD1-CD2 3.61Å; I78-Y93 HydrophobicContact CD1-CE2 4.13Å; I78-Y93 HydrophobicContact CD1-CG 4.5Å; I78-Y93 HydrophobicContact CG1-CD2 3.61Å; I78-Y93 HydrophobicContact CG1-CE2 3.83Å; I78-Y93 HydrophobicContact CG1-CG 4.37Å
79E78.2Confident73.3Confident131 Ų13182.3 Ų82.361%0.61242%0.421SS*.Hα-helixtrans-59.6-38175.2-165.8-169.1141.500112.3E75 L77E75-E79 PolarHBondContact O-N 3.01Å; L77-E79 VanDerWaalsContact C-N 3.26Å; L77-E79 PolarHBondContact O-N 3.19Å
80K78Confident71.1Confident114 Ų11485.9 Ų85.950%0.49644%0.443SS..Hα-helixtrans-84.9-28.9-176.7-64.7-61.1178.8-1590115.1K60 I62 A76 L77 I78K60-K80 WeakPolarHBondContact CE-O 3.48Å; I62-K80 HydrophobicContact CG2-CG 4.02Å; A76-K80 WeakPolarHBondContact O-CG 3.3Å; A76-K80 PolarHBondContact O-N 2.91Å; L77-K80 PolarHBondContact O-N 2.97Å; L77-K80 VanDerWaalsContact O-N 3.08Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 3.02Å
81F76.6Confident69.3Low32 Ų3287.5 Ų87.514%0.1445%0.454CS..Hα-helixtrans-92.8-28.7178.1-78.7-72.7000112.8F48 F50 A58 K60 L77 L131F48-F81 HydrophobicContact CB-CE2 4.35Å; F50-F81 HydrophobicContact CB-CD1 3.74Å; F50-F81 HydrophobicContact CB-CD2 4.2Å; F50-F81 HydrophobicContact CB-CE1 3.46Å; F50-F81 VanDerWaalsContact CB-CE1 3.46Å; F50-F81 HydrophobicContact CB-CE2 3.94Å; F50-F81 HydrophobicContact CB-CG 4.11Å; F50-F81 HydrophobicContact CB-CZ 3.56Å; F50-F81 HydrophobicContact CD1-CB 4.45Å; F50-F81 AromaticContact CD1-CD1 3.98Å; F50-F81 HydrophobicContact CD1-CD1 3.98Å; F50-F81 HydrophobicContact CD1-CE1 4.48Å; F50-F81 HydrophobicContact CD1-CG 4.3Å; F50-F81 HydrophobicContact CG-CD1 4.16Å; F50-F81 HydrophobicContact CG-CE1 4.36Å; F50-F81 HydrophobicContact CG-CG 4.32Å; A58-F81 HydrophobicContact CB-CD1 4.24Å; A58-F81 HydrophobicContact CB-CE1 3.79Å; K60-F81 HydrophobicContact CB-CE1 4.07Å; K60-F81 HydrophobicContact CB-CE2 3.88Å; K60-F81 HydrophobicContact CB-CZ 3.61Å; K60-F81 HydrophobicContact CG-CD1 3.75Å; K60-F81 HydrophobicContact CG-CD2 4.22Å; K60-F81 HydrophobicContact CG-CE1 3.37Å; K60-F81 HydrophobicContact CG-CE2 3.9Å; K60-F81 HydrophobicContact CG-CG 4.16Å; K60-F81 HydrophobicContact CG-CZ 3.46Å; K60-F81 VanDerWaalsContact CG-CZ 3.46Å; L77-F81 HydrophobicContact CB-CD2 4.23Å; L77-F81 HydrophobicContact CD2-CD2 4.4Å; L77-F81 HydrophobicContact CD2-CE2 4.04Å; L77-F81 WeakPolarHBondContact O-CD2 3.47Å; L77-F81 PolarHBondContact O-N 3.27Å; F81-L131 HydrophobicContact CD2-CD2 4Å; F81-L131 HydrophobicContact CE2-CD2 4.44Å
82H67.4Low68.5Low32 Ų3285 Ų8515%0.14845%0.452CS..  trans-135.165.5-173.6-69.5-92.4000113.1F50 E52 I78 D84 Y93F50-H82 AromaticContact CE1-CE1 3.98Å; F50-H82 AromaticContact CE1-NE2 3.29Å; F50-H82 VanDerWaalsContact CE1-NE2 3.29Å; F50-H82 WeakPolarHBondContact CE1-NE2 3.39Å; F50-H82 AromaticContact CZ-NE2 3.33Å; F50-H82 VanDerWaalsContact CZ-NE2 3.33Å; F50-H82 WeakPolarHBondContact CZ-NE2 3.44Å; E52-H82 IonicContact OE1-CE1 3.77Å; I78-H82 CarbonylContact O-C 3.51Å; I78-H82 WeakPolarHBondContact O-CA 3.3Å; I78-H82 PolarHBondContact O-N 3.26Å; H82-D84 PolarHBondContact O-N 3.47Å; H82-Y93 PolarHBondContact CD2-OH 2.82Å; H82-Y93 VanDerWaalsContact CD2-OH 3.27Å; H82-Y93 PolarHBondContact NE2-OH 3.32Å
83A55.7Low68.2Low80 Ų8084.4 Ų84.466%0.66144%0.441SS*.THydrogen-bonded Turntrans-57.6-31.7178.800000113.9
84D48.5Very low68Low153 Ų15384.6 Ų84.682%0.81844%0.442SS*.THydrogen-bonded Turntrans-98.4-6.9-168.1-72.4-35000116.4H82H82-D84 PolarHBondContact O-N 3.47Å
85L43.7Very low68.2Low104 Ų10483.5 Ų83.555%0.54544%0.437SS..  trans-103.728-168.9-84.4162.5000115.4L87L85-L87 PolarHBondContact O-N 3.05Å; L85-L87 VanDerWaalsContact O-N 3.14Å
86R47.7Very low68.5Low239 Ų23980.3 Ų80.390%0.90242%0.42SS*.THydrogen-bonded Turntrans-62.5-15.2170.5-68.4-174.979.9158.34.5113.8
87L43.1Very low68.7Low155 Ų15579 Ų7981%0.81241%0.407SS*.THydrogen-bonded Turntrans-87.8-14.4-167.2-98.6121.9000116.4L85L85-L87 PolarHBondContact O-N 3.05Å; L85-L87 VanDerWaalsContact O-N 3.14Å
88L41.3Very low68.8Low139 Ų13979 Ų7973%0.72841%0.407SS*.SBendtrans-142.677.2-174.9-66.1168.3000111.3
89S44.3Very low69Low74 Ų7477.2 Ų77.252%0.51740%0.398SS..  trans66.3123.517667.50000116.5P91 R135S89-P91 WeakPolarHBondContact O-CD 3.34Å; S89-P91 VanDerWaalsContact O-N 3.13Å; S89-R135 PolarHBondContact O-NH2 3.44Å; S89-R135 PolarHBondContact OG-NH1 3.26Å; S89-R135 PolarHBondContact OG-NH2 3.16Å
90T50Low69Low124 Ų12477.1 Ų77.176%0.76140%0.398SS*.  trans-59.3112.5168.224.50000109.2N92T90-N92 PolarHBondContact O-N 3.02Å
91P60.2Low68.9Low35 Ų3576.7 Ų76.723%0.22740%0.401CS..  trans-65.6136.7171.7-7.423000108.7S89 Y93S89-P91 WeakPolarHBondContact O-CD 3.34Å; S89-P91 VanDerWaalsContact O-N 3.13Å; P91-Y93 HydrophobicContact CB-CD2 4.1Å; P91-Y93 HydrophobicContact CB-CE2 3.53Å; P91-Y93 HydrophobicContact CG-CE2 3.6Å; P91-Y93 WeakPolarHBondContact O-CD2 3.28Å; P91-Y93 PolarHBondContact O-N 3.31Å
92N75.5Confident68.9Low106 Ų10676.7 Ų76.757%0.56741%0.41SS*.  trans-68.6123.3166.6-77.5-2.3000107.8T90 G133 E134T90-N92 PolarHBondContact O-N 3.02Å; N92-G133 CarbonylContact O-C 3.48Å; N92-E134 HydrophobicContact CB-CB 3.91Å; N92-E134 HydrophobicContact CB-CG 3.9Å; N92-E134 WeakPolarHBondContact CB-OE2 3.35Å; N92-E134 PolarHBondContact ND2-OE2 3.41Å; N92-E134 WeakPolarHBondContact O-CB 3.47Å; N92-E134 PolarHBondContact O-N 2.88Å
93Y86.6Confident69.6Low29 Ų2980.4 Ų80.411%0.11443%0.427CS..EExtended strand (participates in β ladder)trans-109.3151.1172-70.5-91.1000110.3F50 I78 H82 P91 L131 Q132F50-Y93 HydrophobicContact CD2-CE1 4.46Å; F50-Y93 HydrophobicContact CE2-CD1 4.35Å; F50-Y93 AromaticContact CE2-CE1 3.64Å; F50-Y93 HydrophobicContact CE2-CE1 3.64Å; F50-Y93 HydrophobicContact CZ-CE1 4.11Å; I78-Y93 HydrophobicContact CD1-CD2 3.61Å; I78-Y93 HydrophobicContact CD1-CE2 4.13Å; I78-Y93 HydrophobicContact CD1-CG 4.5Å; I78-Y93 HydrophobicContact CG1-CD2 3.61Å; I78-Y93 HydrophobicContact CG1-CE2 3.83Å; I78-Y93 HydrophobicContact CG1-CG 4.37Å; H82-Y93 PolarHBondContact CD2-OH 2.82Å; H82-Y93 VanDerWaalsContact CD2-OH 3.27Å; H82-Y93 PolarHBondContact NE2-OH 3.32Å; P91-Y93 HydrophobicContact CB-CD2 4.1Å; P91-Y93 HydrophobicContact CB-CE2 3.53Å; P91-Y93 HydrophobicContact CG-CE2 3.6Å; P91-Y93 WeakPolarHBondContact O-CD2 3.28Å; P91-Y93 PolarHBondContact O-N 3.31Å; Y93-L131 HydrophobicContact CD1-CD1 4.26Å; Y93-L131 HydrophobicContact CD1-CD2 4.01Å; Y93-L131 HydrophobicContact CD1-CG 3.8Å; Y93-L131 HydrophobicContact CE1-CD2 4.36Å; Y93-L131 HydrophobicContact CG-CD1 4.26Å; Y93-L131 HydrophobicContact CG-CD2 4.45Å; Y93-L131 HydrophobicContact CG-CG 4.29Å; Y93-Q132 CarbonylContact C-O 3.55Å; Y93-Q132 WeakPolarHBondContact CA-O 3.18Å
94S90.8Very high71Confident7 Ų779.7 Ų79.75%0.04941%0.409CS..EExtended strand (participates in β ladder)trans-121142.2171.6-67.50000109.7K106 Q132 E134S94-K106 WeakPolarHBondContact OG-CE 3.24Å; S94-K106 PolarHBondContact OG-NZ 3.16Å; S94-Q132 PolarHBondContact N-O 3.07Å; S94-Q132 PolarHBondContact O-N 3.5Å; S94-E134 PolarHBondContact OG-OE1 3.4Å
95L94.6Very high73.1Confident1 Ų177 Ų771%0.00539%0.388CS..EExtended strand (participates in β ladder)trans-98.9134.4173.3-170.164.6000109.8F48 T70 V73 I74 L77 L107 P113 F129F48-L95 HydrophobicContact CD1-CD1 3.75Å; F48-L95 HydrophobicContact CE1-CD1 3.88Å; F48-L95 HydrophobicContact CE1-CD2 4Å; T70-L95 HydrophobicContact CG2-CB 3.76Å; T70-L95 HydrophobicContact CG2-CD2 4.04Å; V73-L95 HydrophobicContact CG1-CD2 4.09Å; I74-L95 HydrophobicContact CD1-CB 4.07Å; I74-L95 HydrophobicContact CG1-CB 4.11Å; L77-L95 HydrophobicContact CD1-CD1 4.38Å; L95-L107 HydrophobicContact CD2-CD2 4.01Å; L95-L107 HydrophobicContact CG-CD2 4.49Å; L95-L107 PolarHBondContact O-N 2.77Å; L95-P113 HydrophobicContact CD2-CB 4.29Å; L95-P113 HydrophobicContact CD2-CG 3.87Å; L95-F129 HydrophobicContact CD1-CB 4.19Å; L95-F129 HydrophobicContact CD2-CD1 4.33Å; L95-F129 HydrophobicContact CG-CD1 4.34Å
96W94.1Very high75.4Confident54 Ų5476.5 Ų76.521%0.20538%0.381CS..EExtended strand (participates in β ladder)trans-124.7143.7-179.9-60.180.9000110.2K104 R105 K106 F129 L130W96-K104 HydrophobicContact CB-CG 4.26Å; W96-K104 HydrophobicContact CD2-CD 4.36Å; W96-K104 HydrophobicContact CD2-CG 4.15Å; W96-K104 HydrophobicContact CE3-CD 4.04Å; W96-K104 HydrophobicContact CE3-CG 3.46Å; W96-K104 VanDerWaalsContact CE3-CG 3.46Å; W96-K104 VanDerWaalsContact CG-CE 3.45Å; W96-K104 HydrophobicContact CG-CG 4.5Å; W96-K104 HydrophobicContact CZ3-CG 4.09Å; W96-R105 CarbonylContact C-O 3.57Å; W96-R105 VanDerWaalsContact CA-O 3.24Å; W96-R105 WeakPolarHBondContact CA-O 3.39Å; W96-R105 VanDerWaalsContact CE3-C 3.41Å; W96-K106 HydrophobicContact CD2-CB 3.89Å; W96-K106 HydrophobicContact CD2-CG 4.47Å; W96-K106 VanDerWaalsContact CE3-CA 3.49Å; W96-K106 HydrophobicContact CE3-CB 3.66Å; W96-K106 HydrophobicContact CH2-CB 3.81Å; W96-K106 HydrophobicContact CH2-CD 4.43Å; W96-K106 HydrophobicContact CZ2-CB 4.02Å; W96-K106 HydrophobicContact CZ2-CD 4.07Å; W96-K106 HydrophobicContact CZ2-CG 4.36Å; W96-K106 HydrophobicContact CZ3-CB 3.63Å; W96-F129 CarbonylContact O-C 3.38Å; W96-F129 VanDerWaalsContact O-CA 3.24Å; W96-F129 WeakPolarHBondContact O-CA 3.24Å; W96-L130 HydrophobicContact CB-CB 4.38Å; W96-L130 PolarHBondContact N-O 2.78Å; W96-L130 PolarHBondContact O-N 2.7Å
97E93.9Very high77.7Confident6 Ų665.3 Ų65.33%0.02834%0.339CS..EExtended strand (participates in β ladder)trans-92.9136.115762.1175.3-177.700108.6H99 K104 R105 L107 V116 W120 R128 F129E97-H99 IonicContact OE1-NE2 2.8Å; E97-H99 IonicContact OE2-NE2 3.45Å; E97-K104 CarbonylContact O-C 3.49Å; E97-K104 WeakPolarHBondContact O-CA 3.37Å; E97-R105 HydrophobicContact CG-CB 3.78Å; E97-R105 PolarHBondContact N-O 3.45Å; E97-R105 PolarHBondContact O-N 2.91Å; E97-R105 VanDerWaalsContact OE1-CD 3.3Å; E97-R105 WeakPolarHBondContact OE1-CD 3.41Å; E97-R105 IonicContact OE1-CZ 3.74Å; E97-R105 IonicContact OE1-NE 3.99Å; E97-R105 PolarHBondContact OE1-NE 3.39Å; E97-R105 IonicContact OE1-NH1 2.93Å; E97-R105 PolarHBondContact OE1-NH1 2.73Å; E97-R105 IonicContact OE1-NH2 3.31Å; E97-R105 IonicContact OE2-NH1 3.77Å; E97-L107 HydrophobicContact CB-CD1 3.99Å; E97-L107 HydrophobicContact CG-CD1 4Å; E97-V116 WeakPolarHBondContact OE2-CG1 3.4Å; E97-W120 HydrophobicContact CB-CZ2 4.24Å; E97-W120 PolarHBondContact OE2-NE1 2.78Å; E97-R128 CarbonylContact C-O 3.55Å; E97-R128 WeakPolarHBondContact CA-O 3.19Å; E97-F129 HydrophobicContact CB-CD1 4.44Å; E97-F129 HydrophobicContact CB-CE1 4.26Å
98V90.8Very high80.2Confident0 Ų062.9 Ų62.90%033%0.326CS..EExtended strand (participates in β ladder)trans-125.4130.9177.2-1730000107.4E103 K104 G127 R128 L130 L191 Y192V98-E103 CarbonylContact C-O 3.51Å; V98-E103 WeakPolarHBondContact CA-O 3.33Å; V98-K104 HydrophobicContact CG2-CB 4.33Å; V98-K104 HydrophobicContact CG2-CD 3.9Å; V98-K104 HydrophobicContact CG2-CG 3.93Å; V98-G127 CarbonylContact O-C 3.6Å; V98-G127 VanDerWaalsContact O-CA 3.3Å; V98-G127 WeakPolarHBondContact O-CA 3.31Å; V98-R128 PolarHBondContact N-O 3.47Å; V98-R128 PolarHBondContact O-N 3.45Å; V98-L130 HydrophobicContact CG2-CB 4.06Å; V98-L130 HydrophobicContact CG2-CD2 4.28Å; V98-L191 HydrophobicContact CB-CD1 3.92Å; V98-L191 HydrophobicContact CG1-CD1 3.88Å; V98-L191 HydrophobicContact CG2-CD1 4.01Å; V98-Y192 PolarHBondContact O-OH 2.92Å; V98-Y192 VanDerWaalsContact O-OH 3.11Å
99H87.2Confident82.6Confident7 Ų759.5 Ų59.53%0.03231%0.312CS..EExtended strand (participates in β ladder)trans-106.4158.8179.1-68.2-69.6000111.3E97 N101 G102 E103 W120 E126E97-H99 IonicContact OE1-NE2 2.8Å; E97-H99 IonicContact OE2-NE2 3.45Å; H99-N101 WeakPolarHBondContact CB-OD1 3.38Å; H99-N101 PolarHBondContact O-N 3.45Å; H99-G102 PolarHBondContact O-N 3.09Å; H99-E103 HydrophobicContact CB-CB 4.41Å; H99-E103 PolarHBondContact N-O 3.02Å; H99-W120 AromaticContact CE1-CD1 3.8Å; H99-W120 AromaticContact CE1-NE1 3.53Å; H99-E126 WeakPolarHBondContact CA-O 3.48Å; H99-E126 PolarHBondContact ND1-O 2.93Å
100E78.1Confident85Confident129 Ų12961.5 Ų61.560%0.60332%0.317SS*.THydrogen-bonded Turntrans-59.6-28.8-177.4-171-176.7-168.900112.8G102 Y192E100-G102 PolarHBondContact O-N 3.34Å; E100-Y192 HydrophobicContact CB-CD1 3.99Å; E100-Y192 HydrophobicContact CB-CE1 3.74Å; E100-Y192 HydrophobicContact CB-CE2 4.37Å; E100-Y192 HydrophobicContact CB-CG 4.4Å; E100-Y192 HydrophobicContact CG-CD1 3.92Å; E100-Y192 HydrophobicContact CG-CE1 4.2Å; E100-Y192 HydrophobicContact CG-CG 4.23Å; E100-Y192 PolarHBondContact N-OH 3.15Å
101N76.7Confident87.3Confident105 Ų10558 Ų5856%0.56129%0.293SS*.THydrogen-bonded Turntrans-73.92.1175.366.1-3.4000114H99 E103H99-N101 WeakPolarHBondContact CB-OD1 3.38Å; H99-N101 PolarHBondContact O-N 3.45Å; N101-E103 VanDerWaalsContact C-N 3.33Å; N101-E103 PolarHBondContact ND2-OE2 3.26Å; N101-E103 VanDerWaalsContact OD1-CB 3.28Å; N101-E103 WeakPolarHBondContact OD1-CB 2.98Å; N101-E103 WeakPolarHBondContact OD1-CG 3.43Å; N101-E103 PolarHBondContact OD1-N 3.24Å
102G76.3Confident89.1Confident31 Ų3160.4 Ų60.432%0.3230%0.299SS..SBendtrans83.50.1-177.100000114.8H99 E100 K104H99-G102 PolarHBondContact O-N 3.09Å; E100-G102 PolarHBondContact O-N 3.34Å; G102-K104 PolarHBondContact O-N 3.34Å
103E81.9Confident90.1Very high110 Ų11055.3 Ų55.351%0.51427%0.272SS..  trans-68.3126.6174.4-70.2179.1158.400110.4V98 H99 N101V98-E103 CarbonylContact C-O 3.51Å; V98-E103 WeakPolarHBondContact CA-O 3.33Å; H99-E103 HydrophobicContact CB-CB 4.41Å; H99-E103 PolarHBondContact N-O 3.02Å; N101-E103 VanDerWaalsContact C-N 3.33Å; N101-E103 PolarHBondContact ND2-OE2 3.26Å; N101-E103 VanDerWaalsContact OD1-CB 3.28Å; N101-E103 WeakPolarHBondContact OD1-CB 2.98Å; N101-E103 WeakPolarHBondContact OD1-CG 3.43Å; N101-E103 PolarHBondContact OD1-N 3.24Å
104K86.5Confident90.6Very high65 Ų6554 Ų5428%0.28327%0.267SS..EExtended strand (participates in β ladder)trans-127.3126.2-179.3175.7168.2178.7-175.90110.8W96 E97 V98 G102W96-K104 HydrophobicContact CB-CG 4.26Å; W96-K104 HydrophobicContact CD2-CD 4.36Å; W96-K104 HydrophobicContact CD2-CG 4.15Å; W96-K104 HydrophobicContact CE3-CD 4.04Å; W96-K104 HydrophobicContact CE3-CG 3.46Å; W96-K104 VanDerWaalsContact CE3-CG 3.46Å; W96-K104 VanDerWaalsContact CG-CE 3.45Å; W96-K104 HydrophobicContact CG-CG 4.5Å; W96-K104 HydrophobicContact CZ3-CG 4.09Å; E97-K104 CarbonylContact O-C 3.49Å; E97-K104 WeakPolarHBondContact O-CA 3.37Å; V98-K104 HydrophobicContact CG2-CB 4.33Å; V98-K104 HydrophobicContact CG2-CD 3.9Å; V98-K104 HydrophobicContact CG2-CG 3.93Å; G102-K104 PolarHBondContact O-N 3.34Å
105R91.2Very high90.8Very high98 Ų9856.3 Ų56.337%0.3728%0.278SS..EExtended strand (participates in β ladder)trans-126.5129.5-178.4-172.2-167.398.4-162.912.3110.9W96 E97 E111W96-R105 CarbonylContact C-O 3.57Å; W96-R105 VanDerWaalsContact CA-O 3.24Å; W96-R105 WeakPolarHBondContact CA-O 3.39Å; W96-R105 VanDerWaalsContact CE3-C 3.41Å; E97-R105 HydrophobicContact CG-CB 3.78Å; E97-R105 PolarHBondContact N-O 3.45Å; E97-R105 PolarHBondContact O-N 2.91Å; E97-R105 VanDerWaalsContact OE1-CD 3.3Å; E97-R105 WeakPolarHBondContact OE1-CD 3.41Å; E97-R105 IonicContact OE1-CZ 3.74Å; E97-R105 IonicContact OE1-NE 3.99Å; E97-R105 PolarHBondContact OE1-NE 3.39Å; E97-R105 IonicContact OE1-NH1 2.93Å; E97-R105 PolarHBondContact OE1-NH1 2.73Å; E97-R105 IonicContact OE1-NH2 3.31Å; E97-R105 IonicContact OE2-NH1 3.77Å; R105-E111 IonicContact CZ-OE1 2.72Å; R105-E111 VanDerWaalsContact NH2-CD 3.27Å; R105-E111 IonicContact NH2-OE1 2.91Å; R105-E111 PolarHBondContact NH2-OE1 2.89Å; R105-E111 IonicContact NH2-OE2 2.65Å; R105-E111 PolarHBondContact NH2-OE2 2.79Å
106K93.3Very high90.8Very high93 Ų9356.9 Ų56.940%0.40428%0.282SS..EExtended strand (participates in β ladder)trans-74.8129.6171.9-178.7167.9171.3166.30108.8S94 W96 E134S94-K106 WeakPolarHBondContact OG-CE 3.24Å; S94-K106 PolarHBondContact OG-NZ 3.16Å; W96-K106 HydrophobicContact CD2-CB 3.89Å; W96-K106 HydrophobicContact CD2-CG 4.47Å; W96-K106 VanDerWaalsContact CE3-CA 3.49Å; W96-K106 HydrophobicContact CE3-CB 3.66Å; W96-K106 HydrophobicContact CH2-CB 3.81Å; W96-K106 HydrophobicContact CH2-CD 4.43Å; W96-K106 HydrophobicContact CZ2-CB 4.02Å; W96-K106 HydrophobicContact CZ2-CD 4.07Å; W96-K106 HydrophobicContact CZ2-CG 4.36Å; W96-K106 HydrophobicContact CZ3-CB 3.63Å; K106-E134 IonicContact NZ-OE1 3.8Å; K106-E134 PolarHBondContact NZ-OE1 3.36Å
107L96Very high90.8Very high4 Ų454.6 Ų54.62%0.02127%0.274CS..PPolyproline II helixtrans-75.8141.1173.5-84.170.1000110T70 L95 E97 E111 P113 V116 F129T70-L107 HydrophobicContact CG2-CB 4.02Å; L95-L107 HydrophobicContact CD2-CD2 4.01Å; L95-L107 HydrophobicContact CG-CD2 4.49Å; L95-L107 PolarHBondContact O-N 2.77Å; E97-L107 HydrophobicContact CB-CD1 3.99Å; E97-L107 HydrophobicContact CG-CD1 4Å; L107-E111 VanDerWaalsContact CA-OE2 3.22Å; L107-E111 WeakPolarHBondContact CA-OE2 3.2Å; L107-P113 HydrophobicContact CD2-CB 4.16Å; L107-P113 HydrophobicContact CD2-CG 4.01Å; L107-V116 HydrophobicContact CD2-CG2 4.18Å; L107-F129 HydrophobicContact CD1-CD1 4.47Å; L107-F129 HydrophobicContact CD1-CE1 4.24Å; L107-F129 HydrophobicContact CD2-CD1 4.33Å; L107-F129 HydrophobicContact CD2-CE1 3.8Å
108L94.6Very high90.8Very high103 Ų10354.7 Ų54.754%0.53928%0.275SS..PPolyproline II helixtrans-73.3153.9173.7-63.6169.9000110.3T70 D110 E111T70-L108 WeakPolarHBondContact CB-O 3.47Å; T70-L108 PolarHBondContact OG1-O 3.31Å; L108-D110 WeakPolarHBondContact CB-OD1 3.47Å; L108-D110 PolarHBondContact O-N 2.88Å; L108-D110 VanDerWaalsContact O-N 3.14Å; L108-E111 HydrophobicContact CB-CG 4.02Å; L108-E111 PolarHBondContact N-OE2 3.28Å; L108-E111 PolarHBondContact O-N 3.38Å
109P92.9Very high90.8Very high68 Ų6858 Ų5844%0.44229%0.292SS..THydrogen-bonded Turntrans-59.1-27.8-175.9-25.535.3000115.1T69 T70 R71T69-P109 WeakPolarHBondContact CB-O 3.48Å; T70-P109 PolarHBondContact N-O 3.41Å; R71-P109 PolarHBondContact N-O 3.3Å; R71-P109 VanDerWaalsContact N-O 3.13Å
110D94.1Very high90.8Very high116 Ų11657.9 Ų57.962%0.6229%0.291SS*.THydrogen-bonded Turntrans-99.8-7.4-177.159.8-49.4000113.9L108L108-D110 WeakPolarHBondContact CB-OD1 3.47Å; L108-D110 PolarHBondContact O-N 2.88Å; L108-D110 VanDerWaalsContact O-N 3.14Å
111E97.8Very high90.8Very high52 Ų5254.4 Ų54.424%0.24328%0.275CS..SBendtrans-62.3156.7170.3-81.3-176.4142.900111.1T69 T70 R105 L107 L108 P113T69-E111 CarbonylContact C-O 3.4Å; T69-E111 VanDerWaalsContact CA-O 3.25Å; T69-E111 WeakPolarHBondContact CA-O 3.49Å; T70-E111 PolarHBondContact N-O 2.65Å; T70-E111 PolarHBondContact OG1-O 3.28Å; R105-E111 IonicContact CZ-OE1 2.72Å; R105-E111 VanDerWaalsContact NH2-CD 3.27Å; R105-E111 IonicContact NH2-OE1 2.91Å; R105-E111 PolarHBondContact NH2-OE1 2.89Å; R105-E111 IonicContact NH2-OE2 2.65Å; R105-E111 PolarHBondContact NH2-OE2 2.79Å; L107-E111 VanDerWaalsContact CA-OE2 3.22Å; L107-E111 WeakPolarHBondContact CA-OE2 3.2Å; L108-E111 HydrophobicContact CB-CG 4.02Å; L108-E111 PolarHBondContact N-OE2 3.28Å; L108-E111 PolarHBondContact O-N 3.38Å; E111-P113 WeakPolarHBondContact O-CD 3.42Å
112K97.4Very high90.6Very high84 Ų8457 Ų5737%0.36528%0.281SS..  trans-110.699.6-177.7-69.6163.4167-166.90109S66 A68 L114 L115 V116S66-K112 VanDerWaalsContact O-CD 3.3Å; S66-K112 WeakPolarHBondContact O-CD 3.26Å; A68-K112 WeakPolarHBondContact O-CA 3.41Å; K112-L114 PolarHBondContact O-N 3.46Å; K112-L114 VanDerWaalsContact O-N 3.12Å; K112-L115 HydrophobicContact CB-CB 4.11Å; K112-L115 HydrophobicContact CB-CD1 3.9Å; K112-L115 HydrophobicContact CB-CG 3.91Å; K112-L115 HydrophobicContact CD-CD1 3.56Å; K112-L115 HydrophobicContact CD-CG 4.38Å; K112-L115 HydrophobicContact CG-CD1 4.38Å; K112-L115 WeakPolarHBondContact O-CA 3.36Å; K112-L115 WeakPolarHBondContact O-CB 3.3Å; K112-L115 PolarHBondContact O-N 3.39Å; K112-V116 PolarHBondContact O-N 3.02Å
113P97.7Very high90.3Very high0 Ų060.3 Ų60.30%029%0.291CS..Hα-helixtrans-55.7-35.2-169.9-30.137.9000114.2M46 A68 V73 L95 L107 E111 L115 V116 Q117 F129M46-P113 VanDerWaalsContact CE-C 3.47Å; M46-P113 HydrophobicContact CE-CB 3.69Å; M46-P113 WeakPolarHBondContact CE-O 3.37Å; M46-P113 HydrophobicContact SD-CB 4.11Å; A68-P113 WeakPolarHBondContact O-CD 3.28Å; V73-P113 HydrophobicContact CB-CG 4.3Å; V73-P113 HydrophobicContact CG1-CG 4.45Å; V73-P113 HydrophobicContact CG2-CG 4.01Å; L95-P113 HydrophobicContact CD2-CB 4.29Å; L95-P113 HydrophobicContact CD2-CG 3.87Å; L107-P113 HydrophobicContact CD2-CB 4.16Å; L107-P113 HydrophobicContact CD2-CG 4.01Å; E111-P113 WeakPolarHBondContact O-CD 3.42Å; P113-L115 VanDerWaalsContact C-N 3.34Å; P113-L115 PolarHBondContact O-N 2.83Å; P113-V116 WeakPolarHBondContact O-CB 3.07Å; P113-V116 PolarHBondContact O-N 2.99Å; P113-Q117 PolarHBondContact O-N 3.34Å; P113-F129 HydrophobicContact CB-CE1 4.37Å; P113-F129 HydrophobicContact CB-CZ 4.47Å; P113-F129 WeakPolarHBondContact O-CZ 3.4Å
114L96.8Very high89.8Confident0 Ų061.3 Ų61.30%030%0.301CS..Hα-helixtrans-66.1-36.9177.6-166.469.2000112.3L33 F42 M46 V64 K112 Q117 L118L33-L114 HydrophobicContact CD2-CD1 3.69Å; L33-L114 HydrophobicContact CD2-CD2 4.48Å; L33-L114 HydrophobicContact CD2-CG 4.34Å; F42-L114 HydrophobicContact CD2-CD2 3.68Å; F42-L114 HydrophobicContact CD2-CG 4.46Å; F42-L114 HydrophobicContact CE2-CD2 3.53Å; F42-L114 HydrophobicContact CE2-CG 3.86Å; F42-L114 HydrophobicContact CZ-CD2 4.47Å; M46-L114 HydrophobicContact CG-CD1 3.54Å; M46-L114 VanDerWaalsContact SD-CA 3.55Å; M46-L114 HydrophobicContact SD-CB 3.79Å; M46-L114 HydrophobicContact SD-CD1 3.6Å; M46-L114 HydrophobicContact SD-CG 4.34Å; M46-L114 PolarHBondContact SD-N 2.91Å; V64-L114 HydrophobicContact CG1-CB 4.2Å; V64-L114 WeakPolarHBondContact O-CD2 3.32Å; K112-L114 PolarHBondContact O-N 3.46Å; K112-L114 VanDerWaalsContact O-N 3.12Å; L114-Q117 PolarHBondContact O-N 2.86Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 PolarHBondContact O-N 3.41Å
115L94.9Very high89.4Confident56 Ų5662.6 Ų62.629%0.29330%0.304SS..Hα-helixtrans-69.6-34.5172.8-62.6-173.7000111.7F42 K112 P113 L118 N119F42-L115 HydrophobicContact CE1-CD2 3.77Å; F42-L115 HydrophobicContact CZ-CD2 3.52Å; K112-L115 HydrophobicContact CB-CB 4.11Å; K112-L115 HydrophobicContact CB-CD1 3.9Å; K112-L115 HydrophobicContact CB-CG 3.91Å; K112-L115 HydrophobicContact CD-CD1 3.56Å; K112-L115 HydrophobicContact CD-CG 4.38Å; K112-L115 HydrophobicContact CG-CD1 4.38Å; K112-L115 WeakPolarHBondContact O-CA 3.36Å; K112-L115 WeakPolarHBondContact O-CB 3.3Å; K112-L115 PolarHBondContact O-N 3.39Å; P113-L115 VanDerWaalsContact C-N 3.34Å; P113-L115 PolarHBondContact O-N 2.83Å; L115-L118 PolarHBondContact O-N 2.89Å; L115-N119 WeakPolarHBondContact O-CB 3.28Å; L115-N119 PolarHBondContact O-N 3.32Å; L115-N119 PolarHBondContact O-ND2 3.33Å
116V95.3Very high88.8Confident14 Ų1461.7 Ų61.79%0.08530%0.303CS..Hα-helixtrans-61.4-47.7173176.70000109.8E97 L107 K112 P113 L118 N119 W120 F129E97-V116 WeakPolarHBondContact OE2-CG1 3.4Å; L107-V116 HydrophobicContact CD2-CG2 4.18Å; K112-V116 PolarHBondContact O-N 3.02Å; P113-V116 WeakPolarHBondContact O-CB 3.07Å; P113-V116 PolarHBondContact O-N 2.99Å; V116-L118 PolarHBondContact O-N 2.99Å; V116-N119 PolarHBondContact O-N 3.23Å; V116-W120 PolarHBondContact O-N 3.35Å; V116-F129 HydrophobicContact CB-CZ 4.28Å; V116-F129 HydrophobicContact CG1-CE1 4.2Å; V116-F129 HydrophobicContact CG1-CZ 4.15Å
117Q94.4Very high88.6Confident6 Ų657.6 Ų57.63%0.02829%0.288CS..Hα-helixtrans-61.6-43.1176.8-168.2174.5-78.300112.9W23 L30 M46 P113 L114 N119 W120 F129W23-Q117 HydrophobicContact CZ2-CG 4.4Å; L30-Q117 HydrophobicContact CD1-CG 4.49Å; M46-Q117 HydrophobicContact CE-CB 4.12Å; P113-Q117 PolarHBondContact O-N 3.34Å; L114-Q117 PolarHBondContact O-N 2.86Å; Q117-N119 VanDerWaalsContact C-N 3.29Å; Q117-N119 PolarHBondContact O-N 3Å; Q117-W120 HydrophobicContact CB-CE3 4.45Å; Q117-W120 HydrophobicContact CB-CZ3 4.42Å; Q117-W120 HydrophobicContact CG-CD2 4.45Å; Q117-W120 HydrophobicContact CG-CE3 3.78Å; Q117-W120 HydrophobicContact CG-CH2 4.23Å; Q117-W120 HydrophobicContact CG-CZ3 3.66Å; Q117-W120 WeakPolarHBondContact O-CB 3.42Å; Q117-W120 PolarHBondContact O-N 3.49Å; Q117-F129 HydrophobicContact CB-CE2 3.89Å; Q117-F129 HydrophobicContact CB-CZ 4.14Å; Q117-F129 HydrophobicContact CG-CE2 4.24Å
118L92.2Very high88.4Confident8 Ų859.9 Ų59.94%0.04230%0.296CS..Hα-helixtrans-62.6-37.9177.1-177.360.8000111.5L16 L19 I20 W23 L33 F42 L114 L115 V116 W120 H121L16-L118 HydrophobicContact CD1-CD2 4.16Å; L19-L118 HydrophobicContact CD2-CD1 4.41Å; L19-L118 HydrophobicContact CD2-CD2 3.94Å; L19-L118 HydrophobicContact CD2-CG 4.13Å; L19-L118 HydrophobicContact CG-CD1 4.22Å; L19-L118 HydrophobicContact CG-CG 4.48Å; I20-L118 HydrophobicContact CG1-CD2 4.5Å; W23-L118 HydrophobicContact CB-CD1 3.93Å; W23-L118 HydrophobicContact CG-CD1 3.79Å; L33-L118 HydrophobicContact CD1-CD1 3.83Å; F42-L118 HydrophobicContact CE1-CD2 4.35Å; F42-L118 HydrophobicContact CE2-CD2 4.18Å; F42-L118 HydrophobicContact CZ-CD2 3.58Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 PolarHBondContact O-N 3.41Å; L115-L118 PolarHBondContact O-N 2.89Å; V116-L118 PolarHBondContact O-N 2.99Å; L118-W120 PolarHBondContact O-N 2.98Å; L118-H121 WeakPolarHBondContact O-CB 3.39Å; L118-H121 PolarHBondContact O-N 3.44Å
119N90.6Very high88.4Confident68 Ų6855 Ų5536%0.36427%0.271SS..Hα-helixtrans-68.4-15.9179.4-84.1-57.3000114.1L115 V116 Q117 H121 K122L115-N119 WeakPolarHBondContact O-CB 3.28Å; L115-N119 PolarHBondContact O-N 3.32Å; L115-N119 PolarHBondContact O-ND2 3.33Å; V116-N119 PolarHBondContact O-N 3.23Å; Q117-N119 VanDerWaalsContact C-N 3.29Å; Q117-N119 PolarHBondContact O-N 3Å; N119-H121 PolarHBondContact O-N 2.81Å; N119-H121 VanDerWaalsContact O-N 3.1Å; N119-K122 PolarHBondContact O-N 3.14Å; N119-K122 WeakPolarHBondContact OD1-CE 3.41Å; N119-K122 PolarHBondContact OD1-NZ 3.27Å
120W88.7Confident88.3Confident6 Ų652 Ų522%0.02325%0.251CS..G310 helixtrans-59.7-20.4174.2-65.1-17.1000112.9E97 H99 V116 Q117 L118 K122 D124 R125 G127 F129E97-W120 HydrophobicContact CB-CZ2 4.24Å; E97-W120 PolarHBondContact OE2-NE1 2.78Å; H99-W120 AromaticContact CE1-CD1 3.8Å; H99-W120 AromaticContact CE1-NE1 3.53Å; V116-W120 PolarHBondContact O-N 3.35Å; Q117-W120 HydrophobicContact CB-CE3 4.45Å; Q117-W120 HydrophobicContact CB-CZ3 4.42Å; Q117-W120 HydrophobicContact CG-CD2 4.45Å; Q117-W120 HydrophobicContact CG-CE3 3.78Å; Q117-W120 HydrophobicContact CG-CH2 4.23Å; Q117-W120 HydrophobicContact CG-CZ3 3.66Å; Q117-W120 WeakPolarHBondContact O-CB 3.42Å; Q117-W120 PolarHBondContact O-N 3.49Å; L118-W120 PolarHBondContact O-N 2.98Å; W120-K122 VanDerWaalsContact C-N 3.27Å; W120-K122 PolarHBondContact O-N 3.38Å; W120-D124 PolarHBondContact O-N 3.24Å; W120-R125 HydrophobicContact CB-CB 4.38Å; W120-R125 WeakPolarHBondContact CB-O 3.39Å; W120-R125 PolarHBondContact O-N 3.2Å; W120-G127 WeakPolarHBondContact CH2-O 3.44Å; W120-G127 WeakPolarHBondContact CZ3-O 3.36Å; W120-F129 AromaticContact CH2-CD2 3.89Å; W120-F129 HydrophobicContact CH2-CD2 3.89Å; W120-F129 AromaticContact CH2-CE2 3.4Å; W120-F129 HydrophobicContact CH2-CE2 3.4Å; W120-F129 AromaticContact CH2-CZ 3.87Å; W120-F129 HydrophobicContact CH2-CZ 3.87Å; W120-F129 HydrophobicContact CZ2-CD2 4.36Å; W120-F129 HydrophobicContact CZ2-CE1 4.23Å; W120-F129 AromaticContact CZ2-CE2 3.67Å; W120-F129 HydrophobicContact CZ2-CE2 3.67Å; W120-F129 AromaticContact CZ2-CZ 3.61Å; W120-F129 HydrophobicContact CZ2-CZ 3.61Å; W120-F129 HydrophobicContact CZ3-CE2 4.3Å
121H76.5Confident88.1Confident55 Ų5546.6 Ų46.626%0.25522%0.222SC..G310 helixtrans-62.9-27.8174.3-165.962.5000113.8L118 N119 D123 D124L118-H121 WeakPolarHBondContact O-CB 3.39Å; L118-H121 PolarHBondContact O-N 3.44Å; N119-H121 PolarHBondContact O-N 2.81Å; N119-H121 VanDerWaalsContact O-N 3.1Å; H121-D123 VanDerWaalsContact C-N 3.27Å; H121-D123 PolarHBondContact O-N 2.63Å; H121-D124 PolarHBondContact O-N 3.5Å
122K72.7Confident87.5Confident159 Ų15946 Ų4669%0.69122%0.219SC*.G310 helixtrans-62.8-32.3-174.5-75.4178.6173.9159.70113.9N119 W120N119-K122 PolarHBondContact O-N 3.14Å; N119-K122 WeakPolarHBondContact OD1-CE 3.41Å; N119-K122 PolarHBondContact OD1-NZ 3.27Å; W120-K122 VanDerWaalsContact C-N 3.27Å; W120-K122 PolarHBondContact O-N 3.38Å
123D70.6Confident86.5Confident101 Ų10143 Ų4354%0.5421%0.212SC..G310 helixtrans-123.517.6-177.5-52.9-58.6000111.7H121 R125H121-D123 VanDerWaalsContact C-N 3.27Å; H121-D123 PolarHBondContact O-N 2.63Å; D123-R125 HydrophobicContact CB-CG 3.89Å; D123-R125 PolarHBondContact O-N 2.95Å; D123-R125 VanDerWaalsContact O-N 3.16Å; D123-R125 IonicContact OD2-CZ 3.92Å; D123-R125 IonicContact OD2-NE 3.58Å; D123-R125 PolarHBondContact OD2-NE 3.19Å; D123-R125 IonicContact OD2-NH2 3.92Å; D123-R125 PolarHBondContact OD2-NH2 2.99Å
124D72.3Confident85.2Confident132 Ų13246.4 Ų46.471%0.70623%0.228SC*.THydrogen-bonded Turntrans48.538.9-173-159.229.8000113.2W120 H121W120-D124 PolarHBondContact O-N 3.24Å; H121-D124 PolarHBondContact O-N 3.5Å
125R77.1Confident83.1Confident92 Ų9253.1 Ų53.135%0.34725%0.253SS..  trans-78.6133.9-176.5-79-175.1-85.4170-6.5110.7R27 W120 D123R27-R125 PolarHBondContact NH1-O 3.33Å; R27-R125 PolarHBondContact NH2-O 3.47Å; W120-R125 HydrophobicContact CB-CB 4.38Å; W120-R125 WeakPolarHBondContact CB-O 3.39Å; W120-R125 PolarHBondContact O-N 3.2Å; D123-R125 HydrophobicContact CB-CG 3.89Å; D123-R125 PolarHBondContact O-N 2.95Å; D123-R125 VanDerWaalsContact O-N 3.16Å; D123-R125 IonicContact OD2-CZ 3.92Å; D123-R125 IonicContact OD2-NE 3.58Å; D123-R125 PolarHBondContact OD2-NE 3.19Å; D123-R125 IonicContact OD2-NH2 3.92Å; D123-R125 PolarHBondContact OD2-NH2 2.99Å
126E79.8Confident80.8Confident78 Ų7856.1 Ų56.136%0.36427%0.269SS..  trans-91.6132.2164.5-164.1175.6150.500109.2H99 Y192H99-E126 WeakPolarHBondContact CA-O 3.48Å; H99-E126 PolarHBondContact ND1-O 2.93Å; E126-Y192 HydrophobicContact CG-CE1 4.07Å; E126-Y192 PolarHBondContact O-OH 3.07Å
127G88.1Confident78.3Confident7 Ų759.8 Ų59.87%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-143.3157.4-175.500000112V98 W120 Y192V98-G127 CarbonylContact O-C 3.6Å; V98-G127 VanDerWaalsContact O-CA 3.3Å; V98-G127 WeakPolarHBondContact O-CA 3.31Å; W120-G127 WeakPolarHBondContact CH2-O 3.44Å; W120-G127 WeakPolarHBondContact CZ3-O 3.36Å; G127-Y192 WeakPolarHBondContact CA-OH 3.45Å
128R91Very high75.5Confident53 Ų5363 Ų6320%0.232%0.315CS..EExtended strand (participates in β ladder)trans-137.1140.4176.4-67.2-178.6-179.1-149.215.4110.3Y49 E97 V98 L191 Y192Y49-R128 HydrophobicContact CD2-CB 3.97Å; Y49-R128 HydrophobicContact CD2-CG 4.48Å; Y49-R128 HydrophobicContact CE2-CB 3.77Å; Y49-R128 HydrophobicContact CE2-CG 3.81Å; Y49-R128 PolarHBondContact OH-NH1 2.96Å; E97-R128 CarbonylContact C-O 3.55Å; E97-R128 WeakPolarHBondContact CA-O 3.19Å; V98-R128 PolarHBondContact N-O 3.47Å; V98-R128 PolarHBondContact O-N 3.45Å; R128-L191 HydrophobicContact CB-CD2 4.46Å; R128-L191 PolarHBondContact NH1-O 2.99Å; R128-L191 PolarHBondContact NH2-O 3.46Å; R128-Y192 HydrophobicContact CG-CE1 4.43Å; R128-Y192 HydrophobicContact CG-CE2 4.41Å
129F94.9Very high72.8Confident1 Ų165.3 Ų65.30%0.00434%0.342CS..EExtended strand (participates in β ladder)trans-90.6122.3176.6-68.8-76.4000111.5M46 F48 Y49 L95 W96 E97 L107 P113 V116 Q117 W120M46-F129 HydrophobicContact CE-CD2 3.56Å; M46-F129 HydrophobicContact CE-CE1 4.44Å; M46-F129 HydrophobicContact CE-CE2 3.1Å; M46-F129 HydrophobicContact CE-CG 4.4Å; M46-F129 HydrophobicContact CE-CZ 3.61Å; F48-F129 WeakPolarHBondContact CA-O 3.49Å; F48-F129 HydrophobicContact CD1-CB 3.43Å; F48-F129 VanDerWaalsContact CD1-CB 3.43Å; F48-F129 HydrophobicContact CD1-CG 4.2Å; F48-F129 HydrophobicContact CE1-CB 3.67Å; F48-F129 HydrophobicContact CE1-CD2 4.34Å; F48-F129 AromaticContact CE1-CG 3.93Å; F48-F129 HydrophobicContact CE1-CG 3.93Å; F48-F129 HydrophobicContact CG-CB 4.38Å; Y49-F129 WeakPolarHBondContact CD2-O 3.37Å; Y49-F129 PolarHBondContact N-O 2.93Å; L95-F129 HydrophobicContact CD1-CB 4.19Å; L95-F129 HydrophobicContact CD2-CD1 4.33Å; L95-F129 HydrophobicContact CG-CD1 4.34Å; W96-F129 CarbonylContact O-C 3.38Å; W96-F129 VanDerWaalsContact O-CA 3.24Å; W96-F129 WeakPolarHBondContact O-CA 3.24Å; E97-F129 HydrophobicContact CB-CD1 4.44Å; E97-F129 HydrophobicContact CB-CE1 4.26Å; L107-F129 HydrophobicContact CD1-CD1 4.47Å; L107-F129 HydrophobicContact CD1-CE1 4.24Å; L107-F129 HydrophobicContact CD2-CD1 4.33Å; L107-F129 HydrophobicContact CD2-CE1 3.8Å; P113-F129 HydrophobicContact CB-CE1 4.37Å; P113-F129 HydrophobicContact CB-CZ 4.47Å; P113-F129 WeakPolarHBondContact O-CZ 3.4Å; V116-F129 HydrophobicContact CB-CZ 4.28Å; V116-F129 HydrophobicContact CG1-CE1 4.2Å; V116-F129 HydrophobicContact CG1-CZ 4.15Å; Q117-F129 HydrophobicContact CB-CE2 3.89Å; Q117-F129 HydrophobicContact CB-CZ 4.14Å; Q117-F129 HydrophobicContact CG-CE2 4.24Å; W120-F129 AromaticContact CH2-CD2 3.89Å; W120-F129 HydrophobicContact CH2-CD2 3.89Å; W120-F129 AromaticContact CH2-CE2 3.4Å; W120-F129 HydrophobicContact CH2-CE2 3.4Å; W120-F129 AromaticContact CH2-CZ 3.87Å; W120-F129 HydrophobicContact CH2-CZ 3.87Å; W120-F129 HydrophobicContact CZ2-CD2 4.36Å; W120-F129 HydrophobicContact CZ2-CE1 4.23Å; W120-F129 AromaticContact CZ2-CE2 3.67Å; W120-F129 HydrophobicContact CZ2-CE2 3.67Å; W120-F129 AromaticContact CZ2-CZ 3.61Å; W120-F129 HydrophobicContact CZ2-CZ 3.61Å; W120-F129 HydrophobicContact CZ3-CE2 4.3Å
130L91.3Very high70.1Confident5 Ų565.8 Ų65.83%0.02636%0.355CS..EExtended strand (participates in β ladder)trans-111.8119.5179178.469.3000110.2Y49 M57 W96 V98 V187Y49-L130 WeakPolarHBondContact O-CA 3.32Å; M57-L130 HydrophobicContact CE-CD1 4.29Å; M57-L130 HydrophobicContact SD-CD1 3.88Å; W96-L130 HydrophobicContact CB-CB 4.38Å; W96-L130 PolarHBondContact N-O 2.78Å; W96-L130 PolarHBondContact O-N 2.7Å; V98-L130 HydrophobicContact CG2-CB 4.06Å; V98-L130 HydrophobicContact CG2-CD2 4.28Å; L130-V187 HydrophobicContact CD2-CG1 3.66Å
131L90.8Very high67.7Low1 Ų169.4 Ų69.41%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-82.2131167.2-172.573.1000108.5Y49 F50 I74 L77 F81 Y93Y49-L131 PolarHBondContact O-N 3.27Å; F50-L131 HydrophobicContact CD2-CB 4.21Å; F50-L131 HydrophobicContact CD2-CD2 4.17Å; F50-L131 HydrophobicContact CD2-CG 4.31Å; F50-L131 WeakPolarHBondContact CD2-O 3.49Å; I74-L131 HydrophobicContact CG1-CD1 4.08Å; I74-L131 HydrophobicContact CG2-CD1 4.38Å; L77-L131 HydrophobicContact CB-CD2 3.99Å; L77-L131 HydrophobicContact CD1-CD1 4.24Å; F81-L131 HydrophobicContact CD2-CD2 4Å; F81-L131 HydrophobicContact CE2-CD2 4.44Å; Y93-L131 HydrophobicContact CD1-CD1 4.26Å; Y93-L131 HydrophobicContact CD1-CD2 4.01Å; Y93-L131 HydrophobicContact CD1-CG 3.8Å; Y93-L131 HydrophobicContact CE1-CD2 4.36Å; Y93-L131 HydrophobicContact CG-CD1 4.26Å; Y93-L131 HydrophobicContact CG-CD2 4.45Å; Y93-L131 HydrophobicContact CG-CG 4.29Å
132Q85Confident65.8Low39 Ų3971.3 Ų71.318%0.18239%0.389CS..EExtended strand (participates in β ladder)trans-139.6135.4179.8-166.9171.3500110.7Y93 S94Y93-Q132 CarbonylContact C-O 3.55Å; Y93-Q132 WeakPolarHBondContact CA-O 3.18Å; S94-Q132 PolarHBondContact N-O 3.07Å; S94-Q132 PolarHBondContact O-N 3.5Å
133G76.7Confident64.1Low21 Ų2171.1 Ų71.122%0.21639%0.391CS..EExtended strand (participates in β ladder)trans-71.2141174.100000111.8N92 R135N92-G133 CarbonylContact O-C 3.48Å; G133-R135 PolarHBondContact O-N 3.14Å
134E69.4Low62.4Low73 Ų7373.3 Ų73.334%0.34140%0.402SS..G310 helixtrans-76.8-5.9178.7-67.9-168.9156.500113.4N92 S94 K106 D136N92-E134 HydrophobicContact CB-CB 3.91Å; N92-E134 HydrophobicContact CB-CG 3.9Å; N92-E134 WeakPolarHBondContact CB-OE2 3.35Å; N92-E134 PolarHBondContact ND2-OE2 3.41Å; N92-E134 WeakPolarHBondContact O-CB 3.47Å; N92-E134 PolarHBondContact O-N 2.88Å; S94-E134 PolarHBondContact OG-OE1 3.4Å; K106-E134 IonicContact NZ-OE1 3.8Å; K106-E134 PolarHBondContact NZ-OE1 3.36Å; E134-D136 PolarHBondContact O-N 2.86Å; E134-D136 VanDerWaalsContact O-N 3.16Å
135R53.1Low60.7Low141 Ų14173.5 Ų73.553%0.53240%0.402SS..G310 helixtrans-69.5-11.1-173.2-68.9-170.9-156-166.85.5115S89 G133S89-R135 PolarHBondContact O-NH2 3.44Å; S89-R135 PolarHBondContact OG-NH1 3.26Å; S89-R135 PolarHBondContact OG-NH2 3.16Å; G133-R135 PolarHBondContact O-N 3.14Å
136D45.5Very low58.4Low118 Ų11875.5 Ų75.563%0.63142%0.415SS*.G310 helixtrans-105.6-6-176.4-67.6-32.4000116E134E134-D136 PolarHBondContact O-N 2.86Å; E134-D136 VanDerWaalsContact O-N 3.16Å
137L42.9Very low56Low92 Ų9278.1 Ų78.148%0.48243%0.431SS..THydrogen-bonded Turntrans-94.7-23.9178.7-99.681.3000115.2
138A36.3Very low53.1Low72 Ų7282.8 Ų82.860%0.59546%0.46SS*.SBendtrans-110.4-10.3-167.300000115.8A140A138-A140 VanDerWaalsContact C-N 3.35Å; A138-A140 PolarHBondContact O-N 3.25Å
139G34.7Very low50.3Low58 Ų5888.1 Ų88.160%0.59849%0.491SS*.THydrogen-bonded Turntrans-68.8-16.1-168.100000117.7
140A35.3Very low47.2Very low78 Ų7895.4 Ų95.465%0.64553%0.53SS*.THydrogen-bonded Turntrans-103.7-12.3-172.800000115.6A138A138-A140 VanDerWaalsContact C-N 3.35Å; A138-A140 PolarHBondContact O-N 3.25Å
141V38.3Very low44.3Very low81 Ų8198.1 Ų98.149%0.49156%0.559SS.*THydrogen-bonded Turntrans-102.5-33-175.6-1740000112.4H143 L144 L145V141-H143 PolarHBondContact O-N 2.86Å; V141-L144 PolarHBondContact O-N 3.17Å; V141-L145 HydrophobicContact CG1-CD1 4.12Å; V141-L145 PolarHBondContact O-N 2.84Å
142D36.5Very low41.3Very low95 Ų95104.9 Ų104.951%0.50860%0.595SS.*Hα-helixtrans-70.9-35.5-176.5-156.730.8000112.2L144 L145 Q146D142-L144 PolarHBondContact O-N 3.21Å; D142-L145 PolarHBondContact O-N 3.05Å; D142-Q146 PolarHBondContact O-N 2.64Å; D142-Q146 VanDerWaalsContact O-N 3.15Å; D142-Q146 PolarHBondContact OD1-NE2 3.17Å
143H35.8Very low38.6Very low155 Ų155109 Ų10972%0.71862%0.618SS**Hα-helixtrans-65-21.2174.8-101.8-61.1000114.4V141V141-H143 PolarHBondContact O-N 2.86Å
144L35.8Very low36.4Very low147 Ų147115 Ų11577%0.7765%0.645SS**Hα-helixtrans-94.1-18179.4-122130000112.8V141 D142V141-L144 PolarHBondContact O-N 3.17Å; D142-L144 PolarHBondContact O-N 3.21Å
145L37Very low34.7Very low136 Ų136117.4 Ų117.471%0.71267%0.665SS**Hα-helixtrans-89.2-21.4173.7-72.7170.6000112.7V141 D142V141-L145 HydrophobicContact CG1-CD1 4.12Å; V141-L145 PolarHBondContact O-N 2.84Å; D142-L145 PolarHBondContact O-N 3.05Å
146Q29.2Very low33.9Very low134 Ų134115.5 Ų115.563%0.62668%0.68SS**  trans-114.770.4178.3-63.4179.427.900110.9D142D142-Q146 PolarHBondContact O-N 2.64Å; D142-Q146 VanDerWaalsContact O-N 3.15Å; D142-Q146 PolarHBondContact OD1-NE2 3.17Å
147L29.5Very low33.2Very low134 Ų134118.3 Ų118.370%0.70269%0.691SS**  trans-105142.2153.7-77.6173.8000109.4I149L147-I149 PolarHBondContact O-N 3.05Å
148P26.5Very low32.9Very low104 Ų104123.3 Ų123.368%0.67571%0.709SS**  trans-75.5128.5-152.3-8.125.3000110.4D150P148-D150 PolarHBondContact O-N 3.02Å
149I32Very low33.3Very low165 Ų165130.9 Ų130.985%0.84672%0.722SS**  trans-8084.8164.1-59175.3000105.9L147L147-I149 PolarHBondContact O-N 3.05Å
150D30.3Very low33.5Very low154 Ų154138 Ų13882%0.82474%0.737SS**  trans-62.7128.9161.1-85.7-29.2000108.8P148P148-D150 PolarHBondContact O-N 3.02Å
151G29Very low34.7Very low62 Ų62138.8 Ų138.864%0.63973%0.729SS**SBendtrans98.985.2162.600000115
152D28.1Very low35.8Very low143 Ų143137.5 Ų137.577%0.76572%0.724SS**  54.3119.5124.5-141.612000119.2
153N29.2Very low37.4Very low125 Ų125141.9 Ų141.967%0.66874%0.739SS**  trans71110161.3-67.2-46.8000119.7
154N30.4Very low38.8Very low147 Ų147143.2 Ų143.279%0.78674%0.737SS**  trans76.6118.2136.3-82.5-25.4000120.1
155V34.3Very low40.2Very low124 Ų124140.6 Ų140.675%0.75272%0.721SS**  trans75.888148.2-170.80000116.2M157V155-M157 PolarHBondContact O-N 3.49Å
156A35.1Very low42Very low102 Ų102141.1 Ų141.184%0.84372%0.718SS**  trans2566.1133.100000117.5K158A156-K158 PolarHBondContact O-N 3.47Å
157M31Very low44.1Very low176 Ų176144.1 Ų144.187%0.86772%0.723SS**  trans-95.186.5163.5-141.3-179.9-163.500108.8V155 R159V155-M157 PolarHBondContact O-N 3.49Å; M157-R159 VanDerWaalsContact C-N 3.31Å; M157-R159 PolarHBondContact O-N 2.94Å
158K36.5Very low46.2Very low197 Ų197142.7 Ų142.786%0.85771%0.713SS**  trans-5895.6165.9-75.9-177.4177.61790107.9A156 K160A156-K158 PolarHBondContact O-N 3.47Å; K158-K160 PolarHBondContact O-N 3.03Å; K158-K160 VanDerWaalsContact O-N 3.08Å
159R45.2Very low48.4Very low232 Ų232142.5 Ų142.588%0.87571%0.706SS**  trans-57.9115.8174.6-79.1-174.9172.2172.1-0.2108.1M157 L161M157-R159 VanDerWaalsContact C-N 3.31Å; M157-R159 PolarHBondContact O-N 2.94Å; R159-L161 PolarHBondContact O-N 3.17Å; R159-L161 VanDerWaalsContact O-N 3.16Å
160K39.5Very low50.5Low208 Ų208140.7 Ų140.790%0.90469%0.692SS**  trans-68.3109.8170.8-71.8-179.4179.7175.70107.3K158 S162K158-K160 PolarHBondContact O-N 3.03Å; K158-K160 VanDerWaalsContact O-N 3.08Å; K160-S162 PolarHBondContact O-N 2.86Å
161L59.2Low52.7Low94 Ų94140.4 Ų140.449%0.49268%0.683SS.*  trans-49.2134.9171.4-67.4165.9000110.2R159 E165R159-L161 PolarHBondContact O-N 3.17Å; R159-L161 VanDerWaalsContact O-N 3.16Å; L161-E165 HydrophobicContact CB-CB 4.14Å; L161-E165 HydrophobicContact CD2-CB 4.01Å
162S60.8Low54.6Low54 Ų54142.9 Ų142.938%0.37868%0.681SS.*  trans-61.4160.4175.774.30000111.2K160 R164 E165 K166K160-S162 PolarHBondContact O-N 2.86Å; S162-R164 PolarHBondContact O-N 2.88Å; S162-R164 VanDerWaalsContact O-N 3.08Å; S162-R164 PolarHBondContact OG-N 3.12Å; S162-E165 WeakPolarHBondContact CA-OE2 3.38Å; S162-E165 WeakPolarHBondContact CB-OE2 3.38Å; S162-E165 PolarHBondContact N-OE2 2.88Å; S162-E165 PolarHBondContact O-N 2.78Å; S162-E165 WeakPolarHBondContact OG-CG 3.29Å; S162-E165 PolarHBondContact OG-N 2.98Å; S162-E165 PolarHBondContact OG-OE2 3.33Å; S162-K166 PolarHBondContact O-N 3.09Å
163K70.1Confident56.6Low187 Ų187141.4 Ų141.481%0.81367%0.67SS**Hα-helixtrans-54.6-28.4175.3-77.9-178.8178.1174.20112.7R167K163-R167 WeakPolarHBondContact O-CG 3.38Å; K163-R167 PolarHBondContact O-N 2.87Å
164R66Low58.6Low182 Ų182143.3 Ų143.369%0.68767%0.667SS**Hα-helixtrans-75.5-49.4177.8-176.1178173.4173.1-0.8111.3S162 K166 R167 E168S162-R164 PolarHBondContact O-N 2.88Å; S162-R164 VanDerWaalsContact O-N 3.08Å; S162-R164 PolarHBondContact OG-N 3.12Å; R164-K166 VanDerWaalsContact C-N 3.31Å; R164-K166 PolarHBondContact O-N 3.41Å; R164-R167 WeakPolarHBondContact O-CB 3.36Å; R164-R167 PolarHBondContact O-N 3.32Å; R164-E168 IonicContact CZ-OE1 3.8Å; R164-E168 IonicContact NE-OE1 2.96Å; R164-E168 PolarHBondContact NE-OE1 3.49Å; R164-E168 IonicContact NH2-OE1 2.85Å; R164-E168 PolarHBondContact O-N 2.91Å
165E65.2Low60.4Low93 Ų93142.2 Ų142.244%0.43566%0.658SS.*Hα-helixtrans-62.2-38.8178.9-69159.6126.800111.7L161 S162 R167 E168 L169L161-E165 HydrophobicContact CB-CB 4.14Å; L161-E165 HydrophobicContact CD2-CB 4.01Å; S162-E165 WeakPolarHBondContact CA-OE2 3.38Å; S162-E165 WeakPolarHBondContact CB-OE2 3.38Å; S162-E165 PolarHBondContact N-OE2 2.88Å; S162-E165 PolarHBondContact O-N 2.78Å; S162-E165 WeakPolarHBondContact OG-CG 3.29Å; S162-E165 PolarHBondContact OG-N 2.98Å; S162-E165 PolarHBondContact OG-OE2 3.33Å; E165-R167 VanDerWaalsContact C-N 3.25Å; E165-R167 PolarHBondContact O-N 2.9Å; E165-E168 PolarHBondContact O-N 3.45Å; E165-L169 WeakPolarHBondContact O-CB 3.36Å; E165-L169 PolarHBondContact O-N 2.82Å
166K74.9Confident61.7Low146 Ų146140.6 Ų140.664%0.63564%0.64SS**Hα-helixtrans-63.8-29.7175-128.9176.3-174.1179.60113S162 R164 K170S162-K166 PolarHBondContact O-N 3.09Å; R164-K166 VanDerWaalsContact C-N 3.31Å; R164-K166 PolarHBondContact O-N 3.41Å; K166-K170 WeakPolarHBondContact O-CB 3.22Å; K166-K170 PolarHBondContact O-N 2.86Å
167R73.5Confident63.1Low197 Ų197141.2 Ų141.274%0.74363%0.626SS**Hα-helixtrans-78.3-40.4174.8-77176.5179.3-178.3-0.7111.7K163 R164 E165 K170 K171K163-R167 WeakPolarHBondContact O-CG 3.38Å; K163-R167 PolarHBondContact O-N 2.87Å; R164-R167 WeakPolarHBondContact O-CB 3.36Å; R164-R167 PolarHBondContact O-N 3.32Å; E165-R167 VanDerWaalsContact C-N 3.25Å; E165-R167 PolarHBondContact O-N 2.9Å; R167-K170 PolarHBondContact O-N 2.94Å; R167-K171 WeakPolarHBondContact O-CB 3.35Å; R167-K171 PolarHBondContact O-N 3.32Å
168E74.4Confident64.7Low105 Ų105139.3 Ų139.349%0.49162%0.619SS.*Hα-helixtrans-65.8-43.6176.7-77178.4-176.400111.4R164 E165 K170 K171 L172R164-E168 IonicContact CZ-OE1 3.8Å; R164-E168 IonicContact NE-OE1 2.96Å; R164-E168 PolarHBondContact NE-OE1 3.49Å; R164-E168 IonicContact NH2-OE1 2.85Å; R164-E168 PolarHBondContact O-N 2.91Å; E165-E168 PolarHBondContact O-N 3.45Å; E168-K170 VanDerWaalsContact C-N 3.35Å; E168-K170 PolarHBondContact O-N 2.86Å; E168-K171 PolarHBondContact O-N 3.38Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-L172 WeakPolarHBondContact O-CB 3.5Å; E168-L172 PolarHBondContact O-N 2.87Å
169L72Confident66Low100 Ų100132.7 Ų132.752%0.52460%0.6SS.*Hα-helixtrans-59-45.9174-164.476.3000111.3E165 K171 L172 E173E165-L169 WeakPolarHBondContact O-CB 3.36Å; E165-L169 PolarHBondContact O-N 2.82Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.24Å; L169-L172 PolarHBondContact O-N 3.33Å; L169-E173 VanDerWaalsContact O-CB 3.25Å; L169-E173 WeakPolarHBondContact O-CB 3.27Å; L169-E173 PolarHBondContact O-N 3.43Å
170K76.8Confident66.6Low126 Ų126125.4 Ų125.455%0.54858%0.576SS.*Hα-helixtrans-67.4-30.4178.1-164.1172.6-173.8174.50113K166 R167 E168 R174K166-K170 WeakPolarHBondContact O-CB 3.22Å; K166-K170 PolarHBondContact O-N 2.86Å; R167-K170 PolarHBondContact O-N 2.94Å; E168-K170 VanDerWaalsContact C-N 3.35Å; E168-K170 PolarHBondContact O-N 2.86Å; K170-R174 WeakPolarHBondContact O-CB 3.45Å; K170-R174 WeakPolarHBondContact O-CG 3.35Å; K170-R174 PolarHBondContact O-N 2.8Å; K170-R174 VanDerWaalsContact O-N 3.09Å
171K75Confident67.4Low148 Ų148118.3 Ų118.364%0.64356%0.557SS**Hα-helixtrans-71.9-45.7174.1-173.7-176.3176.3-1720110.7R167 E168 L169 E173 R174 Q175R167-K171 WeakPolarHBondContact O-CB 3.35Å; R167-K171 PolarHBondContact O-N 3.32Å; E168-K171 PolarHBondContact O-N 3.38Å; E168-K171 VanDerWaalsContact O-N 3.17Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.24Å; K171-E173 VanDerWaalsContact C-N 3.31Å; K171-E173 PolarHBondContact O-N 3.07Å; K171-R174 PolarHBondContact O-N 2.94Å; K171-Q175 WeakPolarHBondContact O-CB 3.25Å; K171-Q175 PolarHBondContact O-N 3.33Å
172L70.4Confident67.6Low115 Ų115123.1 Ų123.160%0.60257%0.568SS**Hα-helixtrans-61.8-41.3176.6-165.976.4000110.9E168 L169 Q175 K176E168-L172 WeakPolarHBondContact O-CB 3.5Å; E168-L172 PolarHBondContact O-N 2.87Å; L169-L172 PolarHBondContact O-N 3.33Å; L172-Q175 PolarHBondContact O-N 3.34Å; L172-K176 WeakPolarHBondContact O-CB 3.33Å; L172-K176 PolarHBondContact O-N 3.14Å
173E68.5Low67.8Low112 Ų112125.3 Ų125.352%0.52357%0.573SS.*Hα-helixtrans-65.6-41.9176.7-168.3170.1-160.300112.1L169 K171 K176 Q177L169-E173 VanDerWaalsContact O-CB 3.25Å; L169-E173 WeakPolarHBondContact O-CB 3.27Å; L169-E173 PolarHBondContact O-N 3.43Å; K171-E173 VanDerWaalsContact C-N 3.31Å; K171-E173 PolarHBondContact O-N 3.07Å; E173-K176 PolarHBondContact O-N 3Å; E173-Q177 WeakPolarHBondContact O-CG 3.47Å; E173-Q177 PolarHBondContact O-N 3.1Å
174R72.8Confident67.2Low164 Ų164118.2 Ų118.262%0.61955%0.549SS*.Hα-helixtrans-64.5-41171.6-80.8-180175.8-174.5-3.8112.8K170 K171 K176 Q177 L178K170-R174 WeakPolarHBondContact O-CB 3.45Å; K170-R174 WeakPolarHBondContact O-CG 3.35Å; K170-R174 PolarHBondContact O-N 2.8Å; K170-R174 VanDerWaalsContact O-N 3.09Å; K171-R174 PolarHBondContact O-N 2.94Å; R174-K176 VanDerWaalsContact C-N 3.31Å; R174-Q177 PolarHBondContact O-N 3.29Å; R174-L178 PolarHBondContact O-N 3Å
175Q67.4Low66.9Low125 Ų125115.6 Ų115.658%0.58455%0.545SS*.Hα-helixtrans-67.2-35.9178.9-161171.39.400110.8K171 L172 L178 A179K171-Q175 WeakPolarHBondContact O-CB 3.25Å; K171-Q175 PolarHBondContact O-N 3.33Å; L172-Q175 PolarHBondContact O-N 3.34Å; Q175-L178 PolarHBondContact O-N 3.06Å; Q175-A179 WeakPolarHBondContact O-CB 3.4Å; Q175-A179 PolarHBondContact O-N 3.26Å
176K60.8Low67.1Low89 Ų89115.9 Ų115.939%0.38755%0.549SS..Hα-helixtrans-66.3-43.1171.1-169.7176.3-178.5178.60112L172 E173 R174 L178 A179 Q180L172-K176 WeakPolarHBondContact O-CB 3.33Å; L172-K176 PolarHBondContact O-N 3.14Å; E173-K176 PolarHBondContact O-N 3Å; R174-K176 VanDerWaalsContact C-N 3.31Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 3.31Å; K176-A179 PolarHBondContact O-N 3.45Å; K176-Q180 HydrophobicContact CG-CG 4.49Å; K176-Q180 WeakPolarHBondContact O-CB 3.35Å; K176-Q180 VanDerWaalsContact O-CG 3.29Å; K176-Q180 WeakPolarHBondContact O-CG 3.49Å; K176-Q180 PolarHBondContact O-N 2.93Å
177Q64.1Low67Low116 Ų116109.4 Ų109.454%0.54252%0.522SS..Hα-helixtrans-60.5-39.8174.1-75.9174.21.800111.9E173 R174 A181E173-Q177 WeakPolarHBondContact O-CG 3.47Å; E173-Q177 PolarHBondContact O-N 3.1Å; R174-Q177 PolarHBondContact O-N 3.29Å; Q177-A181 WeakPolarHBondContact O-CB 3.47Å; Q177-A181 PolarHBondContact O-N 3.13Å
178L65.9Low66.9Low136 Ų136100.7 Ų100.771%0.71249%0.49SS*.Hα-helixtrans-69.5-41177.4-142.493.6000112.2R174 Q175 K176 A181 R182R174-L178 PolarHBondContact O-N 3Å; Q175-L178 PolarHBondContact O-N 3.06Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 3.31Å; L178-A181 PolarHBondContact O-N 2.99Å; L178-R182 WeakPolarHBondContact O-CB 3.35Å; L178-R182 PolarHBondContact O-N 2.94Å
179A63.4Low66.7Low57 Ų5799.8 Ų99.847%0.47149%0.489SS..Hα-helixtrans-64-42.9175.400000111.3Q175 K176 R182 E183Q175-A179 WeakPolarHBondContact O-CB 3.4Å; Q175-A179 PolarHBondContact O-N 3.26Å; K176-A179 PolarHBondContact O-N 3.45Å; A179-R182 PolarHBondContact O-N 3.27Å; A179-E183 WeakPolarHBondContact O-CB 3.36Å; A179-E183 PolarHBondContact O-N 3.01Å
180Q57.6Low66.8Low79 Ų7996.7 Ų96.737%0.36947%0.473SS..Hα-helixtrans-64.8-38.6175.2-75.7178.6-20.100112.6K176 A184K176-Q180 HydrophobicContact CG-CG 4.49Å; K176-Q180 WeakPolarHBondContact O-CB 3.35Å; K176-Q180 VanDerWaalsContact O-CG 3.29Å; K176-Q180 WeakPolarHBondContact O-CG 3.49Å; K176-Q180 PolarHBondContact O-N 2.93Å; Q180-A184 VanDerWaalsContact O-CB 3.26Å; Q180-A184 WeakPolarHBondContact O-CB 3.5Å; Q180-A184 PolarHBondContact O-N 3.08Å
181A56.8Low66.7Low60 Ų6090.8 Ų90.850%0.49645%0.447SS..Hα-helixtrans-64-43.6174.700000111.4Q177 L178 A184 E185Q177-A181 WeakPolarHBondContact O-CB 3.47Å; Q177-A181 PolarHBondContact O-N 3.13Å; L178-A181 PolarHBondContact O-N 2.99Å; A181-A184 PolarHBondContact O-N 3.36Å; A181-E185 WeakPolarHBondContact O-CB 3.45Å; A181-E185 PolarHBondContact O-N 3.27Å
182R63.8Low66.5Low194 Ų19485.7 Ų85.773%0.73242%0.424SS*.Hα-helixtrans-67-40.1177.7-171.7177.9177.3-175.7-1.8112.7L178 A179 E185 D186L178-R182 WeakPolarHBondContact O-CB 3.35Å; L178-R182 PolarHBondContact O-N 2.94Å; A179-R182 PolarHBondContact O-N 3.27Å; R182-E185 PolarHBondContact O-N 3.42Å; R182-D186 WeakPolarHBondContact O-CB 3.22Å; R182-D186 PolarHBondContact O-N 3.46Å
183E64.7Low66.2Low100 Ų10085 Ų8547%0.46743%0.425SS..Hα-helixtrans-66.6-38.7175.1-171.1-176.2174.100111.5A179 D186 V187A179-E183 WeakPolarHBondContact O-CB 3.36Å; A179-E183 PolarHBondContact O-N 3.01Å; E183-D186 PolarHBondContact O-N 3.46Å; E183-V187 WeakPolarHBondContact O-CB 3.42Å; E183-V187 VanDerWaalsContact O-CG2 3.26Å; E183-V187 WeakPolarHBondContact O-CG2 3.4Å; E183-V187 PolarHBondContact O-N 2.82Å
184A57.1Low65.5Low38 Ų3883.5 Ų83.531%0.31442%0.418SS..Hα-helixtrans-65.1-38.7174.400000112.3Q180 A181 T188Q180-A184 VanDerWaalsContact O-CB 3.26Å; Q180-A184 WeakPolarHBondContact O-CB 3.5Å; Q180-A184 PolarHBondContact O-N 3.08Å; A181-A184 PolarHBondContact O-N 3.36Å; A184-T188 WeakPolarHBondContact O-CB 3.4Å; A184-T188 PolarHBondContact O-N 3.3Å; A184-T188 PolarHBondContact O-OG1 3.38Å
185E59.2Low64.3Low128 Ų12880.7 Ų80.760%0.59842%0.418SS*.Hα-helixtrans-63.9-47.3174.6-156.3170.5-158.900110.7A181 R182 V187 T188 D189A181-E185 WeakPolarHBondContact O-CB 3.45Å; A181-E185 PolarHBondContact O-N 3.27Å; R182-E185 PolarHBondContact O-N 3.42Å; E185-V187 PolarHBondContact O-N 3.31Å; E185-T188 WeakPolarHBondContact O-CB 3.43Å; E185-T188 PolarHBondContact O-N 3.49Å; E185-T188 VanDerWaalsContact O-N 3.1Å; E185-D189 PolarHBondContact O-N 3.4Å
186D69.5Low63.3Low99 Ų9979.3 Ų79.353%0.52942%0.42SS..Hα-helixtrans-60.2-43.5177.2-163.419.7000112.5R182 E183 T188 D189 L190R182-D186 WeakPolarHBondContact O-CB 3.22Å; R182-D186 PolarHBondContact O-N 3.46Å; E183-D186 PolarHBondContact O-N 3.46Å; D186-T188 VanDerWaalsContact C-N 3.34Å; D186-T188 PolarHBondContact O-N 3.03Å; D186-D189 PolarHBondContact O-N 3.2Å; D186-L190 WeakPolarHBondContact O-CB 3.47Å; D186-L190 WeakPolarHBondContact O-CD1 3.37Å; D186-L190 VanDerWaalsContact O-CG 3.3Å; D186-L190 WeakPolarHBondContact O-CG 3.32Å; D186-L190 PolarHBondContact O-N 3.12Å
187V73.4Confident62.3Low10 Ų1082.4 Ų82.46%0.06144%0.441CS..Hα-helixtrans-65.7-35.9174.9171.90000112L130 E183 E185 L191L130-V187 HydrophobicContact CD2-CG1 3.66Å; E183-V187 WeakPolarHBondContact O-CB 3.42Å; E183-V187 VanDerWaalsContact O-CG2 3.26Å; E183-V187 WeakPolarHBondContact O-CG2 3.4Å; E183-V187 PolarHBondContact O-N 2.82Å; E185-V187 PolarHBondContact O-N 3.31Å; V187-L191 HydrophobicContact CG1-CD1 4.04Å; V187-L191 WeakPolarHBondContact O-CB 3.44Å; V187-L191 WeakPolarHBondContact O-CD1 3.42Å; V187-L191 VanDerWaalsContact O-CG 3.28Å; V187-L191 WeakPolarHBondContact O-CG 3.13Å; V187-L191 PolarHBondContact O-N 3.26Å
188T71.2Confident61.4Low14 Ų1480.3 Ų80.39%0.08644%0.436CS..Hα-helixtrans-68.7-42.6177.8-55.10000110.7A184 E185 D186 L191 Y192A184-T188 WeakPolarHBondContact O-CB 3.4Å; A184-T188 PolarHBondContact O-N 3.3Å; A184-T188 PolarHBondContact O-OG1 3.38Å; E185-T188 WeakPolarHBondContact O-CB 3.43Å; E185-T188 PolarHBondContact O-N 3.49Å; E185-T188 VanDerWaalsContact O-N 3.1Å; D186-T188 VanDerWaalsContact C-N 3.34Å; D186-T188 PolarHBondContact O-N 3.03Å; T188-L191 PolarHBondContact O-N 3.35Å; T188-Y192 HydrophobicContact CG2-CD2 4.12Å; T188-Y192 PolarHBondContact O-N 3.32Å
189D70.8Confident60.2Low85 Ų8582 Ų8246%0.45545%0.446SS..Hα-helixtrans-63-45.1175.4-75.5-19.9000111.6E185 D186 L191 Y192 V193 E194E185-D189 PolarHBondContact O-N 3.4Å; D186-D189 PolarHBondContact O-N 3.2Å; D189-L191 VanDerWaalsContact C-N 3.25Å; D189-L191 PolarHBondContact O-N 2.9Å; D189-Y192 PolarHBondContact O-N 2.95Å; D189-V193 HydrophobicContact CB-CG2 4.46Å; D189-V193 WeakPolarHBondContact O-CA 3.49Å; D189-V193 VanDerWaalsContact O-CB 3.27Å; D189-V193 WeakPolarHBondContact O-CB 3.34Å; D189-V193 PolarHBondContact O-N 2.89Å; D189-E194 PolarHBondContact O-N 3.29Å
190L73.1Confident59.5Low36 Ų3683.6 Ų83.619%0.18844%0.442CS..Hα-helixtrans-58.6-36.2173.7-80.2164.3000112.6Q51 M57 D186 E194Q51-L190 VanDerWaalsContact NE2-CD1 3.34Å; M57-L190 HydrophobicContact CE-CB 4.15Å; D186-L190 WeakPolarHBondContact O-CB 3.47Å; D186-L190 WeakPolarHBondContact O-CD1 3.37Å; D186-L190 VanDerWaalsContact O-CG 3.3Å; D186-L190 WeakPolarHBondContact O-CG 3.32Å; D186-L190 PolarHBondContact O-N 3.12Å; L190-E194 WeakPolarHBondContact CD2-OE2 3.46Å
191L74.4Confident59Low2 Ų282.5 Ų82.51%0.0144%0.441CS..Hα-helixtrans-72.6-55176.7-76.5165.9000110.9Y49 M57 V98 R128 V187 T188 D189Y49-L191 HydrophobicContact CD1-CD2 3.66Å; Y49-L191 HydrophobicContact CD2-CD2 3.92Å; Y49-L191 HydrophobicContact CE1-CD2 4.23Å; Y49-L191 HydrophobicContact CE2-CD2 4.49Å; Y49-L191 HydrophobicContact CG-CD2 3.46Å; Y49-L191 VanDerWaalsContact CG-CD2 3.46Å; M57-L191 HydrophobicContact CE-CD2 4.11Å; M57-L191 HydrophobicContact CE-CG 4.09Å; M57-L191 HydrophobicContact CG-CD2 4.33Å; M57-L191 HydrophobicContact SD-CD2 4.27Å; V98-L191 HydrophobicContact CB-CD1 3.92Å; V98-L191 HydrophobicContact CG1-CD1 3.88Å; V98-L191 HydrophobicContact CG2-CD1 4.01Å; R128-L191 HydrophobicContact CB-CD2 4.46Å; R128-L191 PolarHBondContact NH1-O 2.99Å; R128-L191 PolarHBondContact NH2-O 3.46Å; V187-L191 HydrophobicContact CG1-CD1 4.04Å; V187-L191 WeakPolarHBondContact O-CB 3.44Å; V187-L191 WeakPolarHBondContact O-CD1 3.42Å; V187-L191 VanDerWaalsContact O-CG 3.28Å; V187-L191 WeakPolarHBondContact O-CG 3.13Å; V187-L191 PolarHBondContact O-N 3.26Å; T188-L191 PolarHBondContact O-N 3.35Å; D189-L191 VanDerWaalsContact C-N 3.25Å; D189-L191 PolarHBondContact O-N 2.9Å
192Y72.3Confident58.7Low41 Ų4186.9 Ų86.916%0.16145%0.445CS..Hα-helixtrans-95.2-29.2-167-74.8-88.5000115.3V98 E100 E126 G127 R128 T188 D189V98-Y192 PolarHBondContact O-OH 2.92Å; V98-Y192 VanDerWaalsContact O-OH 3.11Å; E100-Y192 HydrophobicContact CB-CD1 3.99Å; E100-Y192 HydrophobicContact CB-CE1 3.74Å; E100-Y192 HydrophobicContact CB-CE2 4.37Å; E100-Y192 HydrophobicContact CB-CG 4.4Å; E100-Y192 HydrophobicContact CG-CD1 3.92Å; E100-Y192 HydrophobicContact CG-CE1 4.2Å; E100-Y192 HydrophobicContact CG-CG 4.23Å; E100-Y192 PolarHBondContact N-OH 3.15Å; E126-Y192 HydrophobicContact CG-CE1 4.07Å; E126-Y192 PolarHBondContact O-OH 3.07Å; G127-Y192 WeakPolarHBondContact CA-OH 3.45Å; R128-Y192 HydrophobicContact CG-CE1 4.43Å; R128-Y192 HydrophobicContact CG-CE2 4.41Å; T188-Y192 HydrophobicContact CG2-CD2 4.12Å; T188-Y192 PolarHBondContact O-N 3.32Å; D189-Y192 PolarHBondContact O-N 2.95Å
193V63.3Low58.2Low101 Ų10180.3 Ų80.361%0.61243%0.427SS*.THydrogen-bonded Turntrans-96.4-33.7-171.7-175.80000112.3D189 V195D189-V193 HydrophobicContact CB-CG2 4.46Å; D189-V193 WeakPolarHBondContact O-CA 3.49Å; D189-V193 VanDerWaalsContact O-CB 3.27Å; D189-V193 WeakPolarHBondContact O-CB 3.34Å; D189-V193 PolarHBondContact O-N 2.89Å; V193-V195 PolarHBondContact O-N 2.98Å; V193-V195 VanDerWaalsContact O-N 3.09Å
194E54Low57.8Low80 Ų8077 Ų7737%0.37441%0.412SS..  trans-73.1104.4-178.8-147.2-177.3-175.500110.9R56 D189 L190R56-E194 IonicContact CZ-OE1 3.41Å; R56-E194 IonicContact NE-OE1 2.9Å; R56-E194 IonicContact NH2-OE1 3.28Å; R56-E194 PolarHBondContact NH2-OE1 3.25Å; D189-E194 PolarHBondContact O-N 3.29Å; L190-E194 WeakPolarHBondContact CD2-OE2 3.46Å
195V47.9Very low57.8Low104 Ų10477.4 Ų77.463%0.6341%0.412SS*.  trans-73127.2175.4-174.90000108.6V193 N197V193-V195 PolarHBondContact O-N 2.98Å; V193-V195 VanDerWaalsContact O-N 3.09Å; V195-N197 PolarHBondContact O-N 3.29Å
196P46.9Very low57.7Low96 Ų9674.2 Ų74.262%0.62340%0.399SS*.  trans-58.1127.8171.8-21.131.4000109.7T198P196-T198 PolarHBondContact O-N 3.17Å
197N38.6Very low57.1Low154 Ų15471.4 Ų71.482%0.82439%0.386SS*.SBendtrans-68.416175.6-90.7-5.4000113.7V195V195-N197 PolarHBondContact O-N 3.29Å
198T46.6Very low56.4Low73 Ų7378.6 Ų78.645%0.44842%0.419SS..  trans-108.4135.7-177.676.90000110.1P196 F200P196-T198 PolarHBondContact O-N 3.17Å; T198-F200 PolarHBondContact O-N 3.5Å; T198-F200 VanDerWaalsContact O-N 3.1Å
199N40.7Very low56Low171 Ų17180.4 Ų80.491%0.91443%0.43SS*.  trans-75.616.1169.1-70.2-29.6000112T201N199-T201 PolarHBondContact O-N 3.43Å
200F47.3Very low55.5Low91 Ų9177.8 Ų77.840%0.39942%0.417SS..  trans-81.1101.9-170.7-167.4-109.3000111.2T198 R202 T203 L774T198-F200 PolarHBondContact O-N 3.5Å; T198-F200 VanDerWaalsContact O-N 3.1Å; F200-R202 VanDerWaalsContact C-N 3.33Å; F200-R202 HydrophobicContact CD1-CB 3.97Å; F200-R202 HydrophobicContact CD1-CG 4.28Å; F200-R202 HydrophobicContact CD2-CG 4.39Å; F200-R202 HydrophobicContact CE1-CB 3.42Å; F200-R202 VanDerWaalsContact CE1-CB 3.42Å; F200-R202 HydrophobicContact CE1-CG 3.68Å; F200-R202 HydrophobicContact CE2-CB 4.45Å; F200-R202 HydrophobicContact CE2-CG 3.77Å; F200-R202 HydrophobicContact CZ-CB 3.72Å; F200-R202 HydrophobicContact CZ-CG 3.41Å; F200-R202 VanDerWaalsContact CZ-CG 3.41Å; F200-R202 PolarHBondContact O-N 3.48Å; F200-T203 PolarHBondContact O-OG1 2.7Å; F200-L774 HydrophobicContact CE2-CD1 4.49Å
201T47.2Very low54.9Low56 Ų5679 Ų7934%0.34442%0.423SS..  trans-84.75.5-176.653.30000114.3N199 T203 I204 P207 M211N199-T201 PolarHBondContact O-N 3.43Å; T201-T203 PolarHBondContact O-N 2.81Å; T201-I204 VanDerWaalsContact O-CG1 3.27Å; T201-I204 WeakPolarHBondContact O-CG1 3.37Å; T201-P207 HydrophobicContact CG2-CB 4.34Å; T201-P207 WeakPolarHBondContact O-CB 3.23Å; T201-M211 HydrophobicContact CG2-CG 4.17Å; T201-M211 HydrophobicContact CG2-SD 4.43Å
202R51.6Low54.8Low151 Ų15184.7 Ų84.757%0.5745%0.447SS*.THydrogen-bonded Turntrans-71.18.3174.2-50.6-165.5-172.9165.2-5.1113.7F200F200-R202 VanDerWaalsContact C-N 3.33Å; F200-R202 HydrophobicContact CD1-CB 3.97Å; F200-R202 HydrophobicContact CD1-CG 4.28Å; F200-R202 HydrophobicContact CD2-CG 4.39Å; F200-R202 HydrophobicContact CE1-CB 3.42Å; F200-R202 VanDerWaalsContact CE1-CB 3.42Å; F200-R202 HydrophobicContact CE1-CG 3.68Å; F200-R202 HydrophobicContact CE2-CB 4.45Å; F200-R202 HydrophobicContact CE2-CG 3.77Å; F200-R202 HydrophobicContact CZ-CB 3.72Å; F200-R202 HydrophobicContact CZ-CG 3.41Å; F200-R202 VanDerWaalsContact CZ-CG 3.41Å; F200-R202 PolarHBondContact O-N 3.48Å
203T52.3Low54.7Low57 Ų5788.3 Ų88.335%0.3546%0.464SS..THydrogen-bonded Turntrans-94.20.6-179.950.60000114.2R47 F200 T201R47-T203 VanDerWaalsContact NH2-CB 3.3Å; R47-T203 PolarHBondContact NH2-O 2.85Å; F200-T203 PolarHBondContact O-OG1 2.7Å; T201-T203 PolarHBondContact O-N 2.81Å
204I55.5Low55.1Low31 Ų3191.7 Ų91.716%0.15947%0.465CS..SBendtrans-133.2143.2-17649.3-173.8000108.8T201 N206 P207 V210T201-I204 VanDerWaalsContact O-CG1 3.27Å; T201-I204 WeakPolarHBondContact O-CG1 3.37Å; I204-N206 VanDerWaalsContact C-N 3.26Å; I204-N206 PolarHBondContact O-N 2.93Å; I204-P207 VanDerWaalsContact CD1-CA 3.48Å; I204-P207 HydrophobicContact CD1-CB 3.82Å; I204-P207 HydrophobicContact CG1-CB 3.7Å; I204-P207 WeakPolarHBondContact O-CD 3.5Å; I204-V210 HydrophobicContact CD1-CB 3.94Å; I204-V210 HydrophobicContact CD1-CG1 3.9Å
205S58Low55.7Low45 Ų4596.3 Ų96.332%0.31548%0.48SS..SBendtrans-56.9-41.5-175.943.60000112.6L28 L30L28-S205 PolarHBondContact O-OG 3.08Å; L30-S205 WeakPolarHBondContact O-CB 3.45Å; L30-S205 PolarHBondContact O-OG 2.81Å
206N58Low57Low61 Ų6195.4 Ų95.433%0.32647%0.469SS..  trans-13277.3-174.3-165.2-27.9000109.5I204 E208 V209 V210I204-N206 VanDerWaalsContact C-N 3.26Å; I204-N206 PolarHBondContact O-N 2.93Å; N206-E208 PolarHBondContact O-N 2.88Å; N206-V209 HydrophobicContact CB-CB 4.26Å; N206-V209 VanDerWaalsContact CG-CG2 3.46Å; N206-V209 VanDerWaalsContact ND2-CG2 3.27Å; N206-V209 WeakPolarHBondContact ND2-CG2 3.35Å; N206-V209 PolarHBondContact O-N 3.01Å; N206-V209 WeakPolarHBondContact OD1-CB 3.29Å; N206-V209 VanDerWaalsContact OD1-CG2 3.29Å; N206-V209 WeakPolarHBondContact OD1-CG2 3.42Å; N206-V209 PolarHBondContact OD1-N 3.49Å; N206-V209 VanDerWaalsContact OD1-N 3.12Å; N206-V210 WeakPolarHBondContact O-CG2 3.28Å; N206-V210 PolarHBondContact O-N 3.3Å
207P56Low58.4Low40 Ų40100 Ų10026%0.2647%0.474SS..Hα-helixtrans-60.5-34.1-173.621.8-31000113.1T201 I204 M211T201-P207 HydrophobicContact CG2-CB 4.34Å; T201-P207 WeakPolarHBondContact O-CB 3.23Å; I204-P207 VanDerWaalsContact CD1-CA 3.48Å; I204-P207 HydrophobicContact CD1-CB 3.82Å; I204-P207 HydrophobicContact CG1-CB 3.7Å; I204-P207 WeakPolarHBondContact O-CD 3.5Å; P207-M211 WeakPolarHBondContact O-CB 3.27Å; P207-M211 WeakPolarHBondContact O-CG 3.48Å; P207-M211 PolarHBondContact O-N 2.87Å
208E58.5Low60Low161 Ų16199.2 Ų99.275%0.75246%0.463SS*.Hα-helixtrans-66.1-48.1177.7-61.4-165.5158.800111.9N206 M211 K212N206-E208 PolarHBondContact O-N 2.88Å; E208-M211 PolarHBondContact O-N 3.37Å; E208-K212 WeakPolarHBondContact O-CB 3.38Å; E208-K212 PolarHBondContact O-N 3Å
209V62.7Low61.4Low52 Ų52100.5 Ų100.532%0.31547%0.466SS..Hα-helixtrans-69.6-42.8-178.8176.40000111.4L28 N206 K212 K213L28-V209 HydrophobicContact CD1-CG1 3.88Å; N206-V209 HydrophobicContact CB-CB 4.26Å; N206-V209 VanDerWaalsContact CG-CG2 3.46Å; N206-V209 VanDerWaalsContact ND2-CG2 3.27Å; N206-V209 WeakPolarHBondContact ND2-CG2 3.35Å; N206-V209 PolarHBondContact O-N 3.01Å; N206-V209 WeakPolarHBondContact OD1-CB 3.29Å; N206-V209 VanDerWaalsContact OD1-CG2 3.29Å; N206-V209 WeakPolarHBondContact OD1-CG2 3.42Å; N206-V209 PolarHBondContact OD1-N 3.49Å; N206-V209 VanDerWaalsContact OD1-N 3.12Å; V209-K212 PolarHBondContact O-N 3.44Å; V209-K213 WeakPolarHBondContact O-CB 3.37Å; V209-K213 PolarHBondContact O-N 3.3Å
210V60.8Low63.1Low31 Ų3198.7 Ų98.719%0.18845%0.452CS..Hα-helixtrans-62.8-45.6176172.40000110.4L28 I204 N206 K212 K213 R214L28-V210 HydrophobicContact CB-CG2 3.79Å; L28-V210 WeakPolarHBondContact O-CG2 3.41Å; I204-V210 HydrophobicContact CD1-CB 3.94Å; I204-V210 HydrophobicContact CD1-CG1 3.9Å; N206-V210 WeakPolarHBondContact O-CG2 3.28Å; N206-V210 PolarHBondContact O-N 3.3Å; V210-K212 VanDerWaalsContact C-N 3.33Å; V210-K212 PolarHBondContact O-N 3.29Å; V210-K213 PolarHBondContact O-N 3.42Å; V210-R214 VanDerWaalsContact O-CB 3.25Å; V210-R214 WeakPolarHBondContact O-CB 3.42Å; V210-R214 PolarHBondContact O-N 3.02Å
211M61.1Low64.5Low62 Ų6299.7 Ų99.731%0.30546%0.458SS..Hα-helixtrans-66.9-35.5177-69-66.5-79.600111.6T201 P207 E208 R215T201-M211 HydrophobicContact CG2-CG 4.17Å; T201-M211 HydrophobicContact CG2-SD 4.43Å; P207-M211 WeakPolarHBondContact O-CB 3.27Å; P207-M211 WeakPolarHBondContact O-CG 3.48Å; P207-M211 PolarHBondContact O-N 2.87Å; E208-M211 PolarHBondContact O-N 3.37Å; M211-R215 VanDerWaalsContact O-CB 3.27Å; M211-R215 WeakPolarHBondContact O-CB 3.47Å; M211-R215 WeakPolarHBondContact O-CD 3.41Å; M211-R215 WeakPolarHBondContact O-CG 3.46Å; M211-R215 PolarHBondContact O-N 3.33Å
212K71.8Confident65.9Low121 Ų121102 Ų10253%0.52646%0.464SS..Hα-helixtrans-64.3-53.2173.9-179.1178.2172.8-177.80111.1E208 V209 V210 R214 R215 E216E208-K212 WeakPolarHBondContact O-CB 3.38Å; E208-K212 PolarHBondContact O-N 3Å; V209-K212 PolarHBondContact O-N 3.44Å; V210-K212 VanDerWaalsContact C-N 3.33Å; V210-K212 PolarHBondContact O-N 3.29Å; K212-R214 VanDerWaalsContact C-N 3.28Å; K212-R214 PolarHBondContact O-N 2.88Å; K212-R215 CarbonylContact O-C 3.5Å; K212-R215 WeakPolarHBondContact O-CB 3.39Å; K212-R215 PolarHBondContact O-N 3.28Å; K212-R215 VanDerWaalsContact O-N 3.1Å; K212-E216 WeakPolarHBondContact CE-OE1 3.32Å; K212-E216 HydrophobicContact CG-CG 4.41Å; K212-E216 WeakPolarHBondContact CG-OE1 3.46Å; K212-E216 WeakPolarHBondContact O-CB 3.42Å; K212-E216 WeakPolarHBondContact O-CG 3.37Å; K212-E216 PolarHBondContact O-N 3.16Å
213K70.7Confident67.1Low116 Ų11698.5 Ų98.550%0.50446%0.456SS..Hα-helixtrans-57.3-40.4175-85.1-171.5174.7-179.60111.8L28 V209 V210 E216 R217L28-K213 HydrophobicContact CD1-CD 4.04Å; V209-K213 WeakPolarHBondContact O-CB 3.37Å; V209-K213 PolarHBondContact O-N 3.3Å; V210-K213 PolarHBondContact O-N 3.42Å; K213-E216 PolarHBondContact O-N 3.12Å; K213-R217 VanDerWaalsContact O-CB 3.3Å; K213-R217 WeakPolarHBondContact O-CB 3.43Å; K213-R217 PolarHBondContact O-N 2.83Å
214R70.6Confident68.2Low172 Ų172104.7 Ų104.765%0.64948%0.478SS*.Hα-helixtrans-67.8-38.9176.9-165.4175.2-173.1-178.33.3111.9V210 K212 K218V210-R214 VanDerWaalsContact O-CB 3.25Å; V210-R214 WeakPolarHBondContact O-CB 3.42Å; V210-R214 PolarHBondContact O-N 3.02Å; K212-R214 VanDerWaalsContact C-N 3.28Å; K212-R214 PolarHBondContact O-N 2.88Å; R214-K218 VanDerWaalsContact O-CB 3.25Å; R214-K218 WeakPolarHBondContact O-CB 3.19Å; R214-K218 PolarHBondContact O-N 2.72Å
215R67.5Low69.3Low178 Ų178109.8 Ų109.867%0.67250%0.501SS*.Hα-helixtrans-65.8-44.4173.2-75.5168.7-172.9-174.44.3111.1M211 K212 K218 L219M211-R215 VanDerWaalsContact O-CB 3.27Å; M211-R215 WeakPolarHBondContact O-CB 3.47Å; M211-R215 WeakPolarHBondContact O-CD 3.41Å; M211-R215 WeakPolarHBondContact O-CG 3.46Å; M211-R215 PolarHBondContact O-N 3.33Å; K212-R215 CarbonylContact O-C 3.5Å; K212-R215 WeakPolarHBondContact O-CB 3.39Å; K212-R215 PolarHBondContact O-N 3.28Å; K212-R215 VanDerWaalsContact O-N 3.1Å; R215-K218 PolarHBondContact O-N 3.45Å; R215-L219 VanDerWaalsContact O-CB 3.23Å; R215-L219 WeakPolarHBondContact O-CB 3.41Å; R215-L219 PolarHBondContact O-N 2.8Å
216E74.8Confident70Confident85 Ų85110.2 Ų110.240%0.39750%0.499SS..Hα-helixtrans-60.6-50.2175.9-74.7169.7172.400110.6K212 K213 K218 L219 E220K212-E216 WeakPolarHBondContact CE-OE1 3.32Å; K212-E216 HydrophobicContact CG-CG 4.41Å; K212-E216 WeakPolarHBondContact CG-OE1 3.46Å; K212-E216 WeakPolarHBondContact O-CB 3.42Å; K212-E216 WeakPolarHBondContact O-CG 3.37Å; K212-E216 PolarHBondContact O-N 3.16Å; K213-E216 PolarHBondContact O-N 3.12Å; E216-K218 PolarHBondContact O-N 3.2Å; E216-L219 CarbonylContact O-C 3.57Å; E216-L219 WeakPolarHBondContact O-CA 3.45Å; E216-L219 WeakPolarHBondContact O-CB 3.28Å; E216-L219 PolarHBondContact O-N 3.45Å; E216-L219 VanDerWaalsContact O-N 3.08Å; E216-E220 WeakPolarHBondContact O-CB 3.39Å; E216-E220 WeakPolarHBondContact O-CG 3.41Å; E216-E220 PolarHBondContact O-N 3.06Å
217R76.4Confident70.8Confident193 Ų193109.8 Ų109.873%0.72851%0.51SS*.Hα-helixtrans-61.9-40.5177.3-160.8176.3-171.4178.32.2112.5K213 L219 Q221K213-R217 VanDerWaalsContact O-CB 3.3Å; K213-R217 WeakPolarHBondContact O-CB 3.43Å; K213-R217 PolarHBondContact O-N 2.83Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-Q221 VanDerWaalsContact O-CB 3.23Å; R217-Q221 WeakPolarHBondContact O-CB 3.47Å; R217-Q221 PolarHBondContact O-N 2.95Å
218K72.6Confident72Confident137 Ų137115.3 Ų115.360%0.59653%0.532SS*.Hα-helixtrans-67.4-34.5174.9-168.8173.4-175.11740111.6R214 R215 E216 K222R214-K218 VanDerWaalsContact O-CB 3.25Å; R214-K218 WeakPolarHBondContact O-CB 3.19Å; R214-K218 PolarHBondContact O-N 2.72Å; R215-K218 PolarHBondContact O-N 3.45Å; E216-K218 PolarHBondContact O-N 3.2Å; K218-K222 WeakPolarHBondContact O-CB 3.46Å; K218-K222 WeakPolarHBondContact O-CG 3.46Å; K218-K222 PolarHBondContact O-N 3.03Å; K218-K222 VanDerWaalsContact O-N 3.07Å
219L74.4Confident73.2Confident99 Ų99109.2 Ų109.252%0.51851%0.512SS..Hα-helixtrans-72.4-46.4176.4-17173000111.2R215 E216 R217 K222 L223 L249R215-L219 VanDerWaalsContact O-CB 3.23Å; R215-L219 WeakPolarHBondContact O-CB 3.41Å; R215-L219 PolarHBondContact O-N 2.8Å; E216-L219 CarbonylContact O-C 3.57Å; E216-L219 WeakPolarHBondContact O-CA 3.45Å; E216-L219 WeakPolarHBondContact O-CB 3.28Å; E216-L219 PolarHBondContact O-N 3.45Å; E216-L219 VanDerWaalsContact O-N 3.08Å; R217-L219 VanDerWaalsContact C-N 3.33Å; L219-K222 PolarHBondContact O-N 2.89Å; L219-L223 WeakPolarHBondContact O-CB 3.42Å; L219-L223 PolarHBondContact O-N 2.66Å; L219-L249 HydrophobicContact CD1-CD1 4.34Å; L219-L249 HydrophobicContact CD1-CD2 4.1Å
220E76.5Confident74.4Confident134 Ų134107.8 Ų107.863%0.62651%0.508SS*.Hα-helixtrans-60.1-44.9175-76178.3173.100111.5E216 L223 K224E216-E220 WeakPolarHBondContact O-CB 3.39Å; E216-E220 WeakPolarHBondContact O-CG 3.41Å; E216-E220 PolarHBondContact O-N 3.06Å; E220-L223 PolarHBondContact O-N 3.2Å; E220-K224 VanDerWaalsContact O-CB 3.31Å; E220-K224 WeakPolarHBondContact O-CB 3.43Å; E220-K224 PolarHBondContact O-N 2.9Å
221Q78.2Confident75.7Confident112 Ų112110.5 Ų110.552%0.52353%0.528SS..Hα-helixtrans-60.1-49.4174.5-178.8179.72.300110.9R217 L223 K224 E225R217-Q221 VanDerWaalsContact O-CB 3.23Å; R217-Q221 WeakPolarHBondContact O-CB 3.47Å; R217-Q221 PolarHBondContact O-N 2.95Å; Q221-L223 VanDerWaalsContact C-N 3.33Å; Q221-L223 PolarHBondContact O-N 3.49Å; Q221-K224 PolarHBondContact O-N 3.1Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.48Å; Q221-E225 PolarHBondContact NE2-OE1 2.64Å; Q221-E225 WeakPolarHBondContact O-CG 3.38Å; Q221-E225 PolarHBondContact O-N 3.26Å
222K76.1Confident77.3Confident105 Ų105107.8 Ų107.846%0.45752%0.515SS..Hα-helixtrans-62.5-38.2177.5-81.2-168.9170.6-159.70112.7K218 L219 E225 L226 L249K218-K222 WeakPolarHBondContact O-CB 3.46Å; K218-K222 WeakPolarHBondContact O-CG 3.46Å; K218-K222 PolarHBondContact O-N 3.03Å; K218-K222 VanDerWaalsContact O-N 3.07Å; L219-K222 PolarHBondContact O-N 2.89Å; K222-E225 PolarHBondContact O-N 3.43Å; K222-L226 WeakPolarHBondContact O-CB 3.26Å; K222-L226 PolarHBondContact O-N 3.06Å; K222-L249 HydrophobicContact CB-CD2 3.63Å; K222-L249 HydrophobicContact CD-CD2 4.23Å
223L76Confident78.4Confident77 Ų77106.8 Ų106.840%0.40351%0.511SS..Hα-helixtrans-68.4-39.2178.1-170.365.4000111L219 E220 Q221 E225 L226 G227L219-L223 WeakPolarHBondContact O-CB 3.42Å; L219-L223 PolarHBondContact O-N 2.66Å; E220-L223 PolarHBondContact O-N 3.2Å; Q221-L223 VanDerWaalsContact C-N 3.33Å; Q221-L223 PolarHBondContact O-N 3.49Å; L223-E225 VanDerWaalsContact C-N 3.34Å; L223-E225 PolarHBondContact O-N 3.13Å; L223-L226 PolarHBondContact O-N 3.07Å; L223-G227 PolarHBondContact O-N 3.44Å
224K77Confident79.6Confident187 Ų187101.3 Ų101.381%0.81349%0.487SS*.Hα-helixtrans-63.4-38.1173.2-170.9179.2-179.3-1790112.3E220 Q221E220-K224 VanDerWaalsContact O-CB 3.31Å; E220-K224 WeakPolarHBondContact O-CB 3.43Å; E220-K224 PolarHBondContact O-N 2.9Å; Q221-K224 PolarHBondContact O-N 3.1Å
225E77.2Confident80.8Confident138 Ų13896.3 Ų96.365%0.64547%0.468SS*.Hα-helixtrans-69.3-34.8173.6-72.9169.6-168.600112.4Q221 K222 L223Q221-E225 WeakPolarHBondContact CG-OE1 3.48Å; Q221-E225 PolarHBondContact NE2-OE1 2.64Å; Q221-E225 WeakPolarHBondContact O-CG 3.38Å; Q221-E225 PolarHBondContact O-N 3.26Å; K222-E225 PolarHBondContact O-N 3.43Å; L223-E225 VanDerWaalsContact C-N 3.34Å; L223-E225 PolarHBondContact O-N 3.13Å
226L73.3Confident81.8Confident53 Ų5387.8 Ų87.828%0.27744%0.436SS..Hα-helixtrans-73.4-28.7179.9-126.973000113.6K222 L223 E228 L249 L250 A251K222-L226 WeakPolarHBondContact O-CB 3.26Å; K222-L226 PolarHBondContact O-N 3.06Å; L223-L226 PolarHBondContact O-N 3.07Å; L226-E228 PolarHBondContact O-N 3.1Å; L226-L249 HydrophobicContact CD2-CG 4.04Å; L226-L250 VanDerWaalsContact CD2-O 3.24Å; L226-L250 WeakPolarHBondContact CD2-O 3.44Å; L226-A251 HydrophobicContact CD2-CB 4.43Å; L226-A251 HydrophobicContact CG-CB 4.05Å
227G74.9Confident82.1Confident53 Ų5390 Ų9055%0.54645%0.447SS..SBendtrans73.3-111.3-169.300000111.5L223L223-G227 PolarHBondContact O-N 3.44Å
228E80Confident82Confident156 Ų15685.1 Ų85.173%0.72943%0.432SS*.SBendtrans-91.6117.2176.3-69.1178.7179.100110.9L226 L252L226-E228 PolarHBondContact O-N 3.1Å; E228-L252 PolarHBondContact O-N 2.97Å
229G85.4Confident82.4Confident33 Ų3379.8 Ų79.834%0.3441%0.41SS..EExtended strand (participates in β ladder)trans-177.9-171.8-179.700000112.9L250G229-L250 CarbonylContact C-O 3.49Å; G229-L250 WeakPolarHBondContact CA-O 3.24Å
230G86.3Confident82.3Confident22 Ų2276.2 Ų76.223%0.22739%0.394CS..EExtended strand (participates in β ladder)trans-169.9178.9-175.500000113.6L250G230-L250 PolarHBondContact N-O 3.31Å; G230-L250 PolarHBondContact O-N 2.86Å
231S89.3Confident82Confident88 Ų8878 Ų7862%0.61540%0.402SS*.EExtended strand (participates in β ladder)trans-85132.6176.658.80000111.4L248S231-L248 CarbonylContact C-O 3.4Å; S231-L248 VanDerWaalsContact CA-O 3.23Å; S231-L248 WeakPolarHBondContact CA-O 3.41Å
232L93.4Very high81.4Confident5 Ų578.7 Ų78.73%0.02641%0.414CS..EExtended strand (participates in β ladder)trans-121.8129.7175.3-172.760.4000110.6I234 T247 L248 L250 P301 L302 L305 F316L232-I234 HydrophobicContact CD2-CD1 3.62Å; L232-I234 HydrophobicContact CG-CD1 3.71Å; L232-T247 WeakPolarHBondContact O-CA 3.35Å; L232-L248 PolarHBondContact N-O 3.26Å; L232-L248 PolarHBondContact O-N 3.37Å; L232-L250 HydrophobicContact CB-CD1 3.79Å; L232-L250 HydrophobicContact CD2-CD1 3.68Å; L232-L250 HydrophobicContact CG-CD1 4.36Å; L232-P301 HydrophobicContact CD2-CB 3.41Å; L232-P301 VanDerWaalsContact CD2-CB 3.41Å; L232-P301 HydrophobicContact CD2-CG 4.37Å; L232-L302 HydrophobicContact CB-CD2 4.21Å; L232-L302 HydrophobicContact CD1-CD2 4.35Å; L232-L305 HydrophobicContact CD1-CD1 3.38Å; L232-F316 HydrophobicContact CD1-CD2 3.71Å; L232-F316 HydrophobicContact CD1-CE2 3.89Å; L232-F316 HydrophobicContact CD2-CD2 4.28Å; L232-F316 HydrophobicContact CG-CD2 4.34Å
233K95.5Very high81.4Confident100 Ų10078 Ų7844%0.43541%0.411SS..EExtended strand (participates in β ladder)trans-84.6123.2171.4-69.1-176.3-179.7-1790109.5Y235 Y245 V246K233-Y235 HydrophobicContact CB-CE2 4.15Å; K233-Y245 HydrophobicContact CB-CD2 4.09Å; K233-Y245 HydrophobicContact CD-CD2 3.89Å; K233-Y245 HydrophobicContact CD-CE2 3.64Å; K233-Y245 HydrophobicContact CG-CD2 3.83Å; K233-Y245 HydrophobicContact CG-CE2 3.88Å; K233-V246 WeakPolarHBondContact CA-O 3.22Å
234I96.7Very high81.5Confident0 Ų077.2 Ų77.20%041%0.411CS..EExtended strand (participates in β ladder)trans-111.9116173.7-50-59.3000107.8L232 Y245 V246 L248 V259 T263 L279 F316 V318L232-I234 HydrophobicContact CD2-CD1 3.62Å; L232-I234 HydrophobicContact CG-CD1 3.71Å; I234-Y245 CarbonylContact O-C 3.53Å; I234-Y245 VanDerWaalsContact O-CA 3.23Å; I234-Y245 WeakPolarHBondContact O-CA 3.18Å; I234-Y245 WeakPolarHBondContact O-CB 3.36Å; I234-V246 HydrophobicContact CB-CG2 4.2Å; I234-V246 PolarHBondContact N-O 2.91Å; I234-V246 PolarHBondContact O-N 2.95Å; I234-L248 HydrophobicContact CG1-CD1 4.11Å; I234-L248 HydrophobicContact CG1-CG 4.28Å; I234-V259 HydrophobicContact CD1-CG1 3.49Å; I234-V259 VanDerWaalsContact CD1-CG1 3.49Å; I234-V259 HydrophobicContact CG1-CG1 3.77Å; I234-T263 HydrophobicContact CB-CG2 4.24Å; I234-T263 HydrophobicContact CG2-CG2 3.74Å; I234-L279 HydrophobicContact CD1-CD1 4.28Å; I234-L279 HydrophobicContact CG2-CD1 3.97Å; I234-F316 WeakPolarHBondContact CA-O 3.44Å; I234-F316 HydrophobicContact CD1-CB 3.82Å; I234-V318 HydrophobicContact CG2-CB 4.12Å
235Y94.7Very high82.3Confident67 Ų6772.6 Ų72.626%0.26339%0.389SS..EExtended strand (participates in β ladder)trans-79.8131178.3-69.3-98.2000109.3K233 P244 Y245 T315 F316 H317 V318K233-Y235 HydrophobicContact CB-CE2 4.15Å; Y235-P244 WeakPolarHBondContact CA-O 3.2Å; Y235-Y245 HydrophobicContact CE1-CD1 4.13Å; Y235-Y245 HydrophobicContact CE1-CG 4.39Å; Y235-T315 HydrophobicContact CE2-CG2 4.19Å; Y235-F316 PolarHBondContact N-O 3.28Å; Y235-H317 VanDerWaalsContact CB-CE1 3.45Å; Y235-H317 WeakPolarHBondContact CB-CE1 3.45Å; Y235-H317 VanDerWaalsContact CB-ND1 3.32Å; Y235-H317 WeakPolarHBondContact CB-ND1 3.4Å; Y235-H317 AromaticContact CG-CE1 3.79Å; Y235-H317 CarbonylContact O-C 3.48Å; Y235-H317 VanDerWaalsContact O-CA 3.3Å; Y235-H317 WeakPolarHBondContact O-CA 3.42Å; Y235-V318 PolarHBondContact O-N 3.42Å
236G89.7Confident83.1Confident0 Ų066.2 Ų66.20%036%0.359CS..  trans-137.437.6-174.200000111.2E238 L239 S240 P244 Y267G236-E238 PolarHBondContact O-N 3.48Å; G236-L239 WeakPolarHBondContact O-CA 3.48Å; G236-L239 VanDerWaalsContact O-CB 3.3Å; G236-L239 WeakPolarHBondContact O-CB 3.48Å; G236-L239 PolarHBondContact O-N 2.98Å; G236-S240 PolarHBondContact O-N 3Å; G236-P244 PolarHBondContact N-O 2.92Å; G236-Y267 WeakPolarHBondContact CA-OH 3.23Å; G236-Y267 PolarHBondContact N-OH 2.7Å
237E80.4Confident84Confident132 Ų13266.3 Ų66.362%0.61736%0.362SS*.THydrogen-bonded Turntrans-56.2-33179.5-170.6173.7-175.700112.1L239 S240E237-L239 PolarHBondContact O-N 2.8Å; E237-S240 CarbonylContact O-C 3.55Å; E237-S240 PolarHBondContact O-N 3Å
238E74Confident84.9Confident90 Ų9063.9 Ų63.942%0.42134%0.337SS..THydrogen-bonded Turntrans-65.8-24.6171.5-68.1-172.2-176.800113.8G236 R319 L320G236-E238 PolarHBondContact O-N 3.48Å; E238-R319 WeakPolarHBondContact OE1-CD 3.33Å; E238-R319 IonicContact OE1-NE 3.6Å; E238-R319 VanDerWaalsContact OE2-CA 3.29Å; E238-R319 WeakPolarHBondContact OE2-CA 3.28Å; E238-R319 WeakPolarHBondContact OE2-CB 3.46Å; E238-L320 PolarHBondContact OE2-N 3.41Å; E238-L320 VanDerWaalsContact OE2-N 3.15Å
239L81.4Confident85.4Confident24 Ų2458.4 Ų58.413%0.12631%0.312CS..THydrogen-bonded Turntrans-89.1-30.4179.1-54-176000112.1G236 E237 L264 Y267 L269 F277 V318G236-L239 WeakPolarHBondContact O-CA 3.48Å; G236-L239 VanDerWaalsContact O-CB 3.3Å; G236-L239 WeakPolarHBondContact O-CB 3.48Å; G236-L239 PolarHBondContact O-N 2.98Å; E237-L239 PolarHBondContact O-N 2.8Å; L239-L264 HydrophobicContact CD1-CD2 3.81Å; L239-L264 HydrophobicContact CD2-CD2 4.39Å; L239-Y267 HydrophobicContact CB-CD1 4.2Å; L239-Y267 HydrophobicContact CB-CD2 4.46Å; L239-Y267 HydrophobicContact CB-CE1 4.49Å; L239-Y267 HydrophobicContact CB-CG 4.19Å; L239-Y267 HydrophobicContact CD1-CD2 3.62Å; L239-Y267 HydrophobicContact CD1-CE2 4.09Å; L239-Y267 HydrophobicContact CD1-CG 4Å; L239-L269 HydrophobicContact CB-CD1 4.24Å; L239-L269 HydrophobicContact CD1-CD1 4.19Å; L239-L269 HydrophobicContact CD2-CD1 3.85Å; L239-L269 HydrophobicContact CG-CD1 4.32Å; L239-F277 HydrophobicContact CD2-CD1 4.05Å; L239-F277 HydrophobicContact CD2-CE1 3.34Å; L239-F277 HydrophobicContact CD2-CZ 3.94Å; L239-V318 HydrophobicContact CD1-CG1 3.23Å; L239-V318 HydrophobicContact CD2-CG1 4.35Å; L239-V318 HydrophobicContact CG-CG1 3.78Å
240S73.5Confident85.7Confident25 Ų2556.9 Ų56.918%0.17530%0.296CS..  trans-163116.4-178.2173.90000111G236 E237 T242 K243G236-S240 PolarHBondContact O-N 3Å; E237-S240 CarbonylContact O-C 3.55Å; E237-S240 PolarHBondContact O-N 3Å; S240-T242 VanDerWaalsContact C-N 3.27Å; S240-T242 PolarHBondContact O-N 3.27Å; S240-T242 PolarHBondContact OG-OG1 3.44Å; S240-T242 VanDerWaalsContact OG-OG1 3.09Å; S240-K243 CarbonylContact O-C 3.54Å; S240-K243 PolarHBondContact O-N 3.44Å; S240-K243 PolarHBondContact OG-N 3.22Å
241E69.5Low85.9Confident170 Ų17057 Ų5779%0.79429%0.294SS*.THydrogen-bonded Turntrans-67-28.2175-66.8-174.917500112.5
242T65.2Low85.8Confident128 Ų12855.1 Ų55.179%0.78528%0.278SS*.THydrogen-bonded Turntrans-80.1-19.7-179.155.50000112.9S240S240-T242 VanDerWaalsContact C-N 3.27Å; S240-T242 PolarHBondContact O-N 3.27Å; S240-T242 PolarHBondContact OG-OG1 3.44Å; S240-T242 VanDerWaalsContact OG-OG1 3.09Å
243K77.2Confident85.5Confident89 Ų8964.1 Ų64.139%0.38731%0.311SS..  trans-129.985.2-177.7-170.3-177.3-174.1-175.70110.6S240 Y245 V246 K266 Y267S240-K243 CarbonylContact O-C 3.54Å; S240-K243 PolarHBondContact O-N 3.44Å; S240-K243 PolarHBondContact OG-N 3.22Å; K243-Y245 VanDerWaalsContact C-N 3.27Å; K243-Y245 PolarHBondContact O-N 3.48Å; K243-Y245 VanDerWaalsContact O-N 3.15Å; K243-V246 HydrophobicContact CD-CG1 4.29Å; K243-K266 PolarHBondContact NZ-O 3.35Å; K243-Y267 HydrophobicContact CB-CE1 4Å; K243-Y267 HydrophobicContact CD-CD1 4.28Å; K243-Y267 HydrophobicContact CD-CE1 3.91Å; K243-Y267 HydrophobicContact CG-CE1 4.03Å; K243-Y267 VanDerWaalsContact O-CE1 3.25Å; K243-Y267 WeakPolarHBondContact O-CE1 3.42Å; K243-Y267 PolarHBondContact O-OH 3.42Å
244P77.8Confident85.4Confident62 Ų6260.6 Ų60.640%0.40330%0.297SS..  trans-64.9-27.5-167.924.6-35000114Y235 G236Y235-P244 WeakPolarHBondContact CA-O 3.2Å; G236-P244 PolarHBondContact N-O 2.92Å
245Y94.1Very high85.1Confident89 Ų8966.7 Ų66.735%0.34932%0.32SS..EExtended strand (participates in β ladder)trans-149158.5175.670.2-87.6000112.9K233 I234 Y235 K243 Y267K233-Y245 HydrophobicContact CB-CD2 4.09Å; K233-Y245 HydrophobicContact CD-CD2 3.89Å; K233-Y245 HydrophobicContact CD-CE2 3.64Å; K233-Y245 HydrophobicContact CG-CD2 3.83Å; K233-Y245 HydrophobicContact CG-CE2 3.88Å; I234-Y245 CarbonylContact O-C 3.53Å; I234-Y245 VanDerWaalsContact O-CA 3.23Å; I234-Y245 WeakPolarHBondContact O-CA 3.18Å; I234-Y245 WeakPolarHBondContact O-CB 3.36Å; Y235-Y245 HydrophobicContact CE1-CD1 4.13Å; Y235-Y245 HydrophobicContact CE1-CG 4.39Å; K243-Y245 VanDerWaalsContact C-N 3.27Å; K243-Y245 PolarHBondContact O-N 3.48Å; K243-Y245 VanDerWaalsContact O-N 3.15Å; Y245-Y267 VanDerWaalsContact CA-OH 3.32Å; Y245-Y267 WeakPolarHBondContact CA-OH 3.34Å; Y245-Y267 PolarHBondContact N-OH 2.88Å
246V92.5Very high84.9Confident5 Ų563.6 Ų63.63%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-115149.4165.5-67.90000109.8K233 I234 K243 T263 K266 Y267K233-V246 WeakPolarHBondContact CA-O 3.22Å; I234-V246 HydrophobicContact CB-CG2 4.2Å; I234-V246 PolarHBondContact N-O 2.91Å; I234-V246 PolarHBondContact O-N 2.95Å; K243-V246 HydrophobicContact CD-CG1 4.29Å; V246-T263 HydrophobicContact CG2-CG2 3.8Å; V246-K266 HydrophobicContact CB-CB 4.16Å; V246-K266 HydrophobicContact CB-CD 4.03Å; V246-K266 HydrophobicContact CG1-CB 3.75Å; V246-K266 HydrophobicContact CG1-CD 4.35Å; V246-K266 HydrophobicContact CG2-CB 4.38Å; V246-Y267 HydrophobicContact CB-CE2 4.23Å; V246-Y267 HydrophobicContact CG1-CD2 3.97Å; V246-Y267 HydrophobicContact CG1-CE1 4.32Å; V246-Y267 HydrophobicContact CG1-CE2 3.53Å; V246-Y267 HydrophobicContact CG2-CD2 4.35Å; V246-Y267 HydrophobicContact CG2-CE2 3.77Å
247T93.1Very high85Confident55 Ų5565.9 Ų65.934%0.33732%0.321SS..EExtended strand (participates in β ladder)trans-103.6124.4172-54.20000109.5L232 K266L232-T247 WeakPolarHBondContact O-CA 3.35Å; T247-K266 PolarHBondContact O-NZ 3.42Å
248L93.4Very high85.6Confident2 Ų262.2 Ų62.21%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-103.3149.1173.4-59-172.6000110.1S231 L232 I234 L250 V259 E262 K266S231-L248 CarbonylContact C-O 3.4Å; S231-L248 VanDerWaalsContact CA-O 3.23Å; S231-L248 WeakPolarHBondContact CA-O 3.41Å; L232-L248 PolarHBondContact N-O 3.26Å; L232-L248 PolarHBondContact O-N 3.37Å; I234-L248 HydrophobicContact CG1-CD1 4.11Å; I234-L248 HydrophobicContact CG1-CG 4.28Å; L248-L250 HydrophobicContact CB-CD1 4.17Å; L248-L250 HydrophobicContact CB-CD2 3.95Å; L248-L250 HydrophobicContact CB-CG 3.82Å; L248-L250 HydrophobicContact CD1-CD1 4.49Å; L248-L250 HydrophobicContact CD1-CD2 4.15Å; L248-V259 HydrophobicContact CD1-CG1 4Å; L248-E262 HydrophobicContact CD1-CB 3.82Å; L248-E262 HydrophobicContact CD2-CB 4.01Å; L248-K266 HydrophobicContact CD2-CD 3.64Å; L248-K266 HydrophobicContact CD2-CG 4.21Å
249L90.7Very high86.6Confident41 Ų4158 Ų5822%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-103.6112.8169.1-175.772.9000107L219 K222 L226L219-L249 HydrophobicContact CD1-CD1 4.34Å; L219-L249 HydrophobicContact CD1-CD2 4.1Å; K222-L249 HydrophobicContact CB-CD2 3.63Å; K222-L249 HydrophobicContact CD-CD2 4.23Å; L226-L249 HydrophobicContact CD2-CG 4.04Å
250L92.5Very high87.2Confident1 Ų157.4 Ų57.41%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-125.1143.7-167.6-61.5174.1000111.2L226 G229 G230 L232 L248 D254 V259 L302L226-L250 VanDerWaalsContact CD2-O 3.24Å; L226-L250 WeakPolarHBondContact CD2-O 3.44Å; G229-L250 CarbonylContact C-O 3.49Å; G229-L250 WeakPolarHBondContact CA-O 3.24Å; G230-L250 PolarHBondContact N-O 3.31Å; G230-L250 PolarHBondContact O-N 2.86Å; L232-L250 HydrophobicContact CB-CD1 3.79Å; L232-L250 HydrophobicContact CD2-CD1 3.68Å; L232-L250 HydrophobicContact CG-CD1 4.36Å; L248-L250 HydrophobicContact CB-CD1 4.17Å; L248-L250 HydrophobicContact CB-CD2 3.95Å; L248-L250 HydrophobicContact CB-CG 3.82Å; L248-L250 HydrophobicContact CD1-CD1 4.49Å; L248-L250 HydrophobicContact CD1-CD2 4.15Å; L250-D254 VanDerWaalsContact CA-OD2 3.28Å; L250-D254 WeakPolarHBondContact CA-OD2 3.36Å; L250-D254 HydrophobicContact CB-CB 4.15Å; L250-D254 HydrophobicContact CD2-CB 4.28Å; L250-V259 HydrophobicContact CD1-CG2 3.48Å; L250-V259 VanDerWaalsContact CD1-CG2 3.48Å; L250-V259 HydrophobicContact CD2-CG2 4.08Å; L250-V259 HydrophobicContact CG-CG2 4.43Å; L250-L302 HydrophobicContact CB-CD1 3.77Å; L250-L302 HydrophobicContact CB-CG 4.38Å; L250-L302 WeakPolarHBondContact O-CD1 3.41Å
251A89Confident88.1Confident23 Ų2360.4 Ų60.419%0.1929%0.287CS..EExtended strand (participates in β ladder)trans-69.9152.8167.800000109.7L226 R253 D254L226-A251 HydrophobicContact CD2-CB 4.43Å; L226-A251 HydrophobicContact CG-CB 4.05Å; A251-R253 PolarHBondContact O-N 3.46Å; A251-D254 PolarHBondContact N-OD2 2.84Å; A251-D254 WeakPolarHBondContact O-CB 3.45Å; A251-D254 PolarHBondContact O-N 2.94Å
252L87.1Confident89.2Confident50 Ų5054.7 Ų54.726%0.26226%0.261SS..THydrogen-bonded Turntrans-53.2-34.2-178.3-171.766.1000113.1E228 L302 L303E228-L252 PolarHBondContact O-N 2.97Å; L252-L302 HydrophobicContact CD1-CB 4.16Å; L252-L303 HydrophobicContact CD1-CD2 3.93Å; L252-L303 HydrophobicContact CD1-CG 4.35Å; L252-L303 HydrophobicContact CD2-CD2 3.95Å; L252-L303 HydrophobicContact CG-CD2 3.7Å; L252-L303 HydrophobicContact CG-CG 4.1Å; L252-L303 WeakPolarHBondContact O-CG 3.05Å
253R87.7Confident90.6Very high193 Ų19348.6 Ų48.673%0.72822%0.223SC*.THydrogen-bonded Turntrans-10013-179.1-63.6-176.8176.3-85.7-0.7114.4A251 R255A251-R253 PolarHBondContact O-N 3.46Å; R253-R255 PolarHBondContact O-N 2.83Å
254D92.9Very high91.3Very high26 Ų2644.4 Ų44.414%0.13921%0.205CC..  trans-65.6126.3173.7-81.5-21.7000110.3L250 A251 K258 C300 P301L250-D254 VanDerWaalsContact CA-OD2 3.28Å; L250-D254 WeakPolarHBondContact CA-OD2 3.36Å; L250-D254 HydrophobicContact CB-CB 4.15Å; L250-D254 HydrophobicContact CD2-CB 4.28Å; A251-D254 PolarHBondContact N-OD2 2.84Å; A251-D254 WeakPolarHBondContact O-CB 3.45Å; A251-D254 PolarHBondContact O-N 2.94Å; D254-K258 HydrophobicContact CB-CD 4.12Å; D254-K258 VanDerWaalsContact CG-NZ 3.25Å; D254-K258 VanDerWaalsContact OD1-CD 3.26Å; D254-K258 WeakPolarHBondContact OD1-CD 3.3Å; D254-K258 VanDerWaalsContact OD1-CE 3.29Å; D254-K258 WeakPolarHBondContact OD1-CE 3.31Å; D254-K258 IonicContact OD1-NZ 2.87Å; D254-K258 PolarHBondContact OD1-NZ 3.43Å; D254-K258 IonicContact OD2-NZ 2.69Å; D254-K258 PolarHBondContact OD2-NZ 3.41Å; D254-C300 WeakPolarHBondContact O-CA 3.48Å; D254-P301 WeakPolarHBondContact O-CD 3.3Å
255R90.9Very high91.7Very high128 Ų12845.9 Ų45.948%0.48321%0.207SC..  trans-81.6154.8-174.4-68.6-178.5-167.5-158-1112.3R253 D257 K258 V259 K297 D298 D299R253-R255 PolarHBondContact O-N 2.83Å; R255-D257 WeakPolarHBondContact CB-OD1 3.39Å; R255-D257 PolarHBondContact O-N 2.93Å; R255-D257 VanDerWaalsContact O-N 3.15Å; R255-K258 WeakPolarHBondContact O-CB 3.44Å; R255-K258 PolarHBondContact O-N 3.01Å; R255-V259 PolarHBondContact O-N 2.91Å; R255-V259 VanDerWaalsContact O-N 3.14Å; R255-K297 WeakPolarHBondContact CB-O 3.29Å; R255-D298 IonicContact CZ-OD1 3.94Å; R255-D298 IonicContact NH1-OD1 3.58Å; R255-D298 PolarHBondContact NH1-OD1 3.44Å; R255-D299 CarbonylContact C-O 3.55Å; R255-D299 WeakPolarHBondContact CA-O 3.41Å
256A90.7Very high91.4Very high2 Ų246.6 Ų46.62%0.01721%0.212CC..Hα-helixtrans-54.6-35.1-179.100000113V259 I260 L279 L295 D296 D299A256-V259 WeakPolarHBondContact O-CB 3.28Å; A256-V259 PolarHBondContact O-N 3.38Å; A256-I260 VanDerWaalsContact O-CG1 3.26Å; A256-I260 WeakPolarHBondContact O-CG1 2.89Å; A256-I260 PolarHBondContact O-N 2.81Å; A256-L279 HydrophobicContact CB-CB 4.35Å; A256-L279 HydrophobicContact CB-CD2 4.04Å; A256-L295 HydrophobicContact CB-CB 4.27Å; A256-D296 WeakPolarHBondContact CB-O 3.39Å; A256-D299 PolarHBondContact N-O 3.15Å
257D90.8Very high91Very high49 Ų4947.4 Ų47.426%0.26221%0.214SC..Hα-helixtrans-65-38.1177.376.1-45.3000113.1R255 R261 K297R255-D257 WeakPolarHBondContact CB-OD1 3.39Å; R255-D257 PolarHBondContact O-N 2.93Å; R255-D257 VanDerWaalsContact O-N 3.15Å; D257-R261 WeakPolarHBondContact O-CG 3.48Å; D257-R261 PolarHBondContact O-N 2.84Å; D257-R261 VanDerWaalsContact O-N 3.14Å; D257-R261 PolarHBondContact O-NH1 2.84Å; D257-R261 IonicContact OD1-NH2 3.86Å; D257-R261 IonicContact OD2-CZ 2.96Å; D257-R261 VanDerWaalsContact OD2-CZ 3.28Å; D257-R261 IonicContact OD2-NH1 2.72Å; D257-R261 PolarHBondContact OD2-NH1 3.43Å; D257-R261 IonicContact OD2-NH2 3.58Å; D257-R261 PolarHBondContact OD2-NH2 3.41Å; D257-K297 HydrophobicContact CB-CB 4.39Å
258K93.7Very high90.3Very high55 Ų5546.8 Ų46.824%0.23922%0.218CC..Hα-helixtrans-65.9-44.3172.7179.9178.5179.6-75.10110.7D254 R255 I260 R261 E262D254-K258 HydrophobicContact CB-CD 4.12Å; D254-K258 VanDerWaalsContact CG-NZ 3.25Å; D254-K258 VanDerWaalsContact OD1-CD 3.26Å; D254-K258 WeakPolarHBondContact OD1-CD 3.3Å; D254-K258 VanDerWaalsContact OD1-CE 3.29Å; D254-K258 WeakPolarHBondContact OD1-CE 3.31Å; D254-K258 IonicContact OD1-NZ 2.87Å; D254-K258 PolarHBondContact OD1-NZ 3.43Å; D254-K258 IonicContact OD2-NZ 2.69Å; D254-K258 PolarHBondContact OD2-NZ 3.41Å; R255-K258 WeakPolarHBondContact O-CB 3.44Å; R255-K258 PolarHBondContact O-N 3.01Å; K258-I260 VanDerWaalsContact C-N 3.32Å; K258-I260 PolarHBondContact O-N 2.82Å; K258-R261 PolarHBondContact O-N 3Å; K258-E262 WeakPolarHBondContact CE-OE1 3.4Å; K258-E262 IonicContact NZ-OE1 3.78Å; K258-E262 PolarHBondContact NZ-OE1 2.88Å; K258-E262 PolarHBondContact O-N 3.17Å
259V95.2Very high89.6Confident0 Ų049.3 Ų49.30%023%0.232CC..Hα-helixtrans-58.2-44.8177.1175.30000111I234 L248 L250 R255 A256 T263 L279 P301I234-V259 HydrophobicContact CD1-CG1 3.49Å; I234-V259 VanDerWaalsContact CD1-CG1 3.49Å; I234-V259 HydrophobicContact CG1-CG1 3.77Å; L248-V259 HydrophobicContact CD1-CG1 4Å; L250-V259 HydrophobicContact CD1-CG2 3.48Å; L250-V259 VanDerWaalsContact CD1-CG2 3.48Å; L250-V259 HydrophobicContact CD2-CG2 4.08Å; L250-V259 HydrophobicContact CG-CG2 4.43Å; R255-V259 PolarHBondContact O-N 2.91Å; R255-V259 VanDerWaalsContact O-N 3.14Å; A256-V259 WeakPolarHBondContact O-CB 3.28Å; A256-V259 PolarHBondContact O-N 3.38Å; V259-T263 VanDerWaalsContact O-CB 3.23Å; V259-T263 WeakPolarHBondContact O-CB 3.43Å; V259-T263 PolarHBondContact O-N 2.81Å; V259-T263 PolarHBondContact O-OG1 2.82Å; V259-L279 HydrophobicContact CB-CD2 4.08Å; V259-L279 HydrophobicContact CG1-CD1 4.21Å; V259-L279 HydrophobicContact CG1-CD2 3.71Å; V259-P301 HydrophobicContact CG2-CG 4.09Å
260I94.1Very high88.5Confident13 Ų1349.7 Ų49.77%0.06725%0.245CC..Hα-helixtrans-60.4-50.3176.1-67.5162.8000110.7A256 K258 E262 T263 L264 A274 F277 L279 V318A256-I260 VanDerWaalsContact O-CG1 3.26Å; A256-I260 WeakPolarHBondContact O-CG1 2.89Å; A256-I260 PolarHBondContact O-N 2.81Å; K258-I260 VanDerWaalsContact C-N 3.32Å; K258-I260 PolarHBondContact O-N 2.82Å; I260-E262 PolarHBondContact O-N 2.85Å; I260-T263 PolarHBondContact O-N 2.87Å; I260-L264 HydrophobicContact CG2-CD1 3.73Å; I260-L264 HydrophobicContact CG2-CG 4.25Å; I260-L264 WeakPolarHBondContact O-CB 3.27Å; I260-L264 VanDerWaalsContact O-CG 3.24Å; I260-L264 WeakPolarHBondContact O-CG 3.43Å; I260-L264 PolarHBondContact O-N 2.91Å; I260-A274 HydrophobicContact CG2-CB 3.93Å; I260-F277 HydrophobicContact CG2-CB 3.87Å; I260-L279 HydrophobicContact CD1-CB 4.13Å; I260-L279 HydrophobicContact CG1-CB 4.04Å; I260-V318 HydrophobicContact CG1-CG2 4.03Å; I260-V318 HydrophobicContact CG2-CG2 4.34Å
261R92.6Very high87.8Confident88 Ų8855.9 Ų55.933%0.33227%0.268SS..Hα-helixtrans-57.7-46.3-179.8-74.9-173.5-63.8-90.41.7112.8D257 K258 E265 R271 A274D257-R261 WeakPolarHBondContact O-CG 3.48Å; D257-R261 PolarHBondContact O-N 2.84Å; D257-R261 VanDerWaalsContact O-N 3.14Å; D257-R261 PolarHBondContact O-NH1 2.84Å; D257-R261 IonicContact OD1-NH2 3.86Å; D257-R261 IonicContact OD2-CZ 2.96Å; D257-R261 VanDerWaalsContact OD2-CZ 3.28Å; D257-R261 IonicContact OD2-NH1 2.72Å; D257-R261 PolarHBondContact OD2-NH1 3.43Å; D257-R261 IonicContact OD2-NH2 3.58Å; D257-R261 PolarHBondContact OD2-NH2 3.41Å; K258-R261 PolarHBondContact O-N 3Å; R261-E265 WeakPolarHBondContact O-CB 3.27Å; R261-E265 PolarHBondContact O-N 3.01Å; R261-E265 VanDerWaalsContact O-N 3.07Å; R261-R271 HydrophobicContact CB-CB 4.49Å; R261-R271 HydrophobicContact CB-CG 4.35Å; R261-R271 HydrophobicContact CG-CB 4.42Å; R261-A274 HydrophobicContact CG-CB 3.63Å
262E93.2Very high86.9Confident50 Ų5063.5 Ų63.523%0.23430%0.3CS..Hα-helixtrans-71.2-34.7179.9-73.2-176-152.800112.6L248 K258 I260 K266L248-E262 HydrophobicContact CD1-CB 3.82Å; L248-E262 HydrophobicContact CD2-CB 4.01Å; K258-E262 WeakPolarHBondContact CE-OE1 3.4Å; K258-E262 IonicContact NZ-OE1 3.78Å; K258-E262 PolarHBondContact NZ-OE1 2.88Å; K258-E262 PolarHBondContact O-N 3.17Å; I260-E262 PolarHBondContact O-N 2.85Å; E262-K266 WeakPolarHBondContact O-CG 3.37Å; E262-K266 PolarHBondContact O-N 3.1Å
263T94.7Very high86.3Confident0 Ų062.4 Ų62.40%030%0.296CS..Hα-helixtrans-61.6-51.2174-61.90000110I234 V246 V259 I260 E265 K266 Y267 V318I234-T263 HydrophobicContact CB-CG2 4.24Å; I234-T263 HydrophobicContact CG2-CG2 3.74Å; V246-T263 HydrophobicContact CG2-CG2 3.8Å; V259-T263 VanDerWaalsContact O-CB 3.23Å; V259-T263 WeakPolarHBondContact O-CB 3.43Å; V259-T263 PolarHBondContact O-N 2.81Å; V259-T263 PolarHBondContact O-OG1 2.82Å; I260-T263 PolarHBondContact O-N 2.87Å; T263-E265 VanDerWaalsContact C-N 3.31Å; T263-E265 PolarHBondContact O-N 3.34Å; T263-K266 WeakPolarHBondContact O-CB 3.25Å; T263-K266 PolarHBondContact O-N 2.95Å; T263-Y267 HydrophobicContact CG2-CD2 3.85Å; T263-Y267 HydrophobicContact CG2-CE2 3.84Å; T263-Y267 VanDerWaalsContact O-CD2 3.28Å; T263-Y267 WeakPolarHBondContact O-CD2 3.24Å; T263-Y267 PolarHBondContact O-N 2.78Å; T263-Y267 VanDerWaalsContact O-N 3.09Å; T263-V318 HydrophobicContact CG2-CB 4.19Å; T263-V318 HydrophobicContact CG2-CG1 3.95Å; T263-V318 HydrophobicContact CG2-CG2 4.46Å
264L89.9Confident85.9Confident0 Ų053.7 Ų53.70%027%0.266CS..Hα-helixtrans-60.9-41-179.9-67.8173.4000111.6L239 I260 K266 Y267 G268 L269 A274 F277L239-L264 HydrophobicContact CD1-CD2 3.81Å; L239-L264 HydrophobicContact CD2-CD2 4.39Å; I260-L264 HydrophobicContact CG2-CD1 3.73Å; I260-L264 HydrophobicContact CG2-CG 4.25Å; I260-L264 WeakPolarHBondContact O-CB 3.27Å; I260-L264 VanDerWaalsContact O-CG 3.24Å; I260-L264 WeakPolarHBondContact O-CG 3.43Å; I260-L264 PolarHBondContact O-N 2.91Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 PolarHBondContact O-N 2.87Å; L264-Y267 CarbonylContact O-C 3.38Å; L264-Y267 WeakPolarHBondContact O-CA 3.43Å; L264-Y267 PolarHBondContact O-N 2.81Å; L264-G268 PolarHBondContact O-N 3.17Å; L264-L269 CarbonylContact C-O 3.51Å; L264-L269 HydrophobicContact CB-CB 4.2Å; L264-L269 WeakPolarHBondContact CB-O 3.25Å; L264-L269 HydrophobicContact CD2-CB 4.11Å; L264-L269 HydrophobicContact CD2-CD1 3.99Å; L264-L269 PolarHBondContact O-N 3.28Å; L264-L269 VanDerWaalsContact O-O 3.11Å; L264-A274 HydrophobicContact CD1-CB 4.07Å; L264-F277 HydrophobicContact CD1-CD2 3.58Å; L264-F277 HydrophobicContact CD1-CE2 4.03Å; L264-F277 HydrophobicContact CD1-CG 4.25Å; L264-F277 HydrophobicContact CD2-CD1 4.31Å; L264-F277 HydrophobicContact CD2-CD2 3.77Å; L264-F277 HydrophobicContact CD2-CE1 4.3Å; L264-F277 HydrophobicContact CD2-CE2 3.72Å; L264-F277 HydrophobicContact CD2-CG 4.06Å; L264-F277 HydrophobicContact CD2-CZ 4Å; L264-F277 HydrophobicContact CG-CD2 4.29Å
265E86.7Confident85.3Confident94 Ų9459.2 Ų59.244%0.43930%0.295SS..Hα-helixtrans-59.7-40172.9-175.4174.8-166.600112.6R261 T263 Y267 G268 R271R261-E265 WeakPolarHBondContact O-CB 3.27Å; R261-E265 PolarHBondContact O-N 3.01Å; R261-E265 VanDerWaalsContact O-N 3.07Å; T263-E265 VanDerWaalsContact C-N 3.31Å; T263-E265 PolarHBondContact O-N 3.34Å; E265-Y267 PolarHBondContact O-N 2.91Å; E265-G268 PolarHBondContact O-N 3.43Å; E265-R271 IonicContact OE1-CZ 2.64Å; E265-R271 IonicContact OE1-NE 3.8Å; E265-R271 IonicContact OE1-NH2 3.22Å; E265-R271 PolarHBondContact OE1-NH2 3.5Å; E265-R271 IonicContact OE2-CZ 3.06Å; E265-R271 IonicContact OE2-NE 2.86Å; E265-R271 PolarHBondContact OE2-NE 3Å; E265-R271 IonicContact OE2-NH2 3.06Å; E265-R271 PolarHBondContact OE2-NH2 2.93Å
266K88Confident84.8Confident104 Ų10457.9 Ų57.945%0.45229%0.293SS..Hα-helixtrans-71.2-15.9174.9-75-157.8178.2-154.30114.9K243 V246 T247 L248 E262 T263 L264K243-K266 PolarHBondContact NZ-O 3.35Å; V246-K266 HydrophobicContact CB-CB 4.16Å; V246-K266 HydrophobicContact CB-CD 4.03Å; V246-K266 HydrophobicContact CG1-CB 3.75Å; V246-K266 HydrophobicContact CG1-CD 4.35Å; V246-K266 HydrophobicContact CG2-CB 4.38Å; T247-K266 PolarHBondContact O-NZ 3.42Å; L248-K266 HydrophobicContact CD2-CD 3.64Å; L248-K266 HydrophobicContact CD2-CG 4.21Å; E262-K266 WeakPolarHBondContact O-CG 3.37Å; E262-K266 PolarHBondContact O-N 3.1Å; T263-K266 WeakPolarHBondContact O-CB 3.25Å; T263-K266 PolarHBondContact O-N 2.95Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 PolarHBondContact O-N 2.87Å
267Y84.7Confident84.7Confident22 Ų2258.7 Ų58.79%0.08630%0.296CS..THydrogen-bonded Turntrans-97.91.9169.7-77.7-75.4000112.5G236 L239 K243 Y245 V246 T263 L264 E265 L269G236-Y267 WeakPolarHBondContact CA-OH 3.23Å; G236-Y267 PolarHBondContact N-OH 2.7Å; L239-Y267 HydrophobicContact CB-CD1 4.2Å; L239-Y267 HydrophobicContact CB-CD2 4.46Å; L239-Y267 HydrophobicContact CB-CE1 4.49Å; L239-Y267 HydrophobicContact CB-CG 4.19Å; L239-Y267 HydrophobicContact CD1-CD2 3.62Å; L239-Y267 HydrophobicContact CD1-CE2 4.09Å; L239-Y267 HydrophobicContact CD1-CG 4Å; K243-Y267 HydrophobicContact CB-CE1 4Å; K243-Y267 HydrophobicContact CD-CD1 4.28Å; K243-Y267 HydrophobicContact CD-CE1 3.91Å; K243-Y267 HydrophobicContact CG-CE1 4.03Å; K243-Y267 VanDerWaalsContact O-CE1 3.25Å; K243-Y267 WeakPolarHBondContact O-CE1 3.42Å; K243-Y267 PolarHBondContact O-OH 3.42Å; Y245-Y267 VanDerWaalsContact CA-OH 3.32Å; Y245-Y267 WeakPolarHBondContact CA-OH 3.34Å; Y245-Y267 PolarHBondContact N-OH 2.88Å; V246-Y267 HydrophobicContact CB-CE2 4.23Å; V246-Y267 HydrophobicContact CG1-CD2 3.97Å; V246-Y267 HydrophobicContact CG1-CE1 4.32Å; V246-Y267 HydrophobicContact CG1-CE2 3.53Å; V246-Y267 HydrophobicContact CG2-CD2 4.35Å; V246-Y267 HydrophobicContact CG2-CE2 3.77Å; T263-Y267 HydrophobicContact CG2-CD2 3.85Å; T263-Y267 HydrophobicContact CG2-CE2 3.84Å; T263-Y267 VanDerWaalsContact O-CD2 3.28Å; T263-Y267 WeakPolarHBondContact O-CD2 3.24Å; T263-Y267 PolarHBondContact O-N 2.78Å; T263-Y267 VanDerWaalsContact O-N 3.09Å; L264-Y267 CarbonylContact O-C 3.38Å; L264-Y267 WeakPolarHBondContact O-CA 3.43Å; L264-Y267 PolarHBondContact O-N 2.81Å; E265-Y267 PolarHBondContact O-N 2.91Å; Y267-L269 VanDerWaalsContact C-N 3.27Å; Y267-L269 PolarHBondContact O-N 3.37Å
268G78.8Confident84.7Confident41 Ų4157 Ų5742%0.42329%0.288SS..THydrogen-bonded Turntrans75.510.2-179.800000114.8L264 E265L264-G268 PolarHBondContact O-N 3.17Å; E265-G268 PolarHBondContact O-N 3.43Å
269L77.2Confident84.7Confident56 Ų5654.4 Ų54.429%0.29328%0.276SS..  trans-94.1102.3176.1-58172.4000107.1L239 L264 Y267L239-L269 HydrophobicContact CB-CD1 4.24Å; L239-L269 HydrophobicContact CD1-CD1 4.19Å; L239-L269 HydrophobicContact CD2-CD1 3.85Å; L239-L269 HydrophobicContact CG-CD1 4.32Å; L264-L269 CarbonylContact C-O 3.51Å; L264-L269 HydrophobicContact CB-CB 4.2Å; L264-L269 WeakPolarHBondContact CB-O 3.25Å; L264-L269 HydrophobicContact CD2-CB 4.11Å; L264-L269 HydrophobicContact CD2-CD1 3.99Å; L264-L269 PolarHBondContact O-N 3.28Å; L264-L269 VanDerWaalsContact O-O 3.11Å; Y267-L269 VanDerWaalsContact C-N 3.27Å; Y267-L269 PolarHBondContact O-N 3.37Å
270G69.1Low84.6Confident48 Ų4854.6 Ų54.650%0.49528%0.278SS..  trans-49.9149.9-17100000115.5H272 S273G270-H272 PolarHBondContact O-N 3.35Å; G270-S273 PolarHBondContact O-N 2.87Å; G270-S273 PolarHBondContact O-OG 3.09Å
271R77.6Confident84.5Confident131 Ų13154.3 Ų54.349%0.49428%0.276SS..G310 helixtrans-54.9-20.8-171.8-61.4180-177.71665.3115.3R261 E265 S273 A274R261-R271 HydrophobicContact CB-CB 4.49Å; R261-R271 HydrophobicContact CB-CG 4.35Å; R261-R271 HydrophobicContact CG-CB 4.42Å; E265-R271 IonicContact OE1-CZ 2.64Å; E265-R271 IonicContact OE1-NE 3.8Å; E265-R271 IonicContact OE1-NH2 3.22Å; E265-R271 PolarHBondContact OE1-NH2 3.5Å; E265-R271 IonicContact OE2-CZ 3.06Å; E265-R271 IonicContact OE2-NE 2.86Å; E265-R271 PolarHBondContact OE2-NE 3Å; E265-R271 IonicContact OE2-NH2 3.06Å; E265-R271 PolarHBondContact OE2-NH2 2.93Å; R271-S273 VanDerWaalsContact C-N 3.27Å; R271-S273 PolarHBondContact O-N 2.98Å; R271-A274 WeakPolarHBondContact O-CB 3.46Å; R271-A274 PolarHBondContact O-N 3.42Å
272H69.8Low84.4Confident183 Ų18350.6 Ų50.685%0.84726%0.263SS*.G310 helixtrans-68.7-21.5-176.9-49.2-65.9000113.8G270 A274G270-H272 PolarHBondContact O-N 3.35Å; H272-A274 VanDerWaalsContact C-N 3.32Å
273S73.3Confident84Confident28 Ų2851.8 Ų51.820%0.19627%0.265CS..G310 helixtrans-85.2-2.3178.862.90000113.6G270 R271 N275 K276 F277G270-S273 PolarHBondContact O-N 2.87Å; G270-S273 PolarHBondContact O-OG 3.09Å; R271-S273 VanDerWaalsContact C-N 3.27Å; R271-S273 PolarHBondContact O-N 2.98Å; S273-N275 PolarHBondContact O-N 3.27Å; S273-K276 VanDerWaalsContact O-CB 3.29Å; S273-K276 WeakPolarHBondContact O-CB 3.41Å; S273-K276 PolarHBondContact O-N 3.4Å; S273-F277 WeakPolarHBondContact O-CD2 3.47Å
274A80.1Confident83.4Confident10 Ų1056.3 Ų56.38%0.08329%0.293CS..G310 helixtrans-54.3-30.8-172.900000114.6I260 R261 L264 R271 H272 K276 F277I260-A274 HydrophobicContact CG2-CB 3.93Å; R261-A274 HydrophobicContact CG-CB 3.63Å; L264-A274 HydrophobicContact CD1-CB 4.07Å; R271-A274 WeakPolarHBondContact O-CB 3.46Å; R271-A274 PolarHBondContact O-N 3.42Å; H272-A274 VanDerWaalsContact C-N 3.32Å; A274-K276 PolarHBondContact O-N 3.45Å; A274-F277 PolarHBondContact O-N 3.05Å; A274-F277 VanDerWaalsContact O-N 3.12Å
275N79.7Confident82.8Confident141 Ų14158 Ų5875%0.75430%0.302SS*.G310 helixtrans-65.5-18.8178.2-61.6-18.8000113.5S273 F277 R321S273-N275 PolarHBondContact O-N 3.27Å; N275-F277 VanDerWaalsContact C-N 3.33Å; N275-R321 WeakPolarHBondContact O-CD 3.32Å; N275-R321 PolarHBondContact O-NE 3.27Å
276K81Confident82.3Confident100 Ų10059.2 Ų59.244%0.43532%0.318SS..G310 helixtrans-82.6-14.1177.9-58.4178.6-178.2172.90112.6S273 A274 L320 R321 A360S273-K276 VanDerWaalsContact O-CB 3.29Å; S273-K276 WeakPolarHBondContact O-CB 3.41Å; S273-K276 PolarHBondContact O-N 3.4Å; A274-K276 PolarHBondContact O-N 3.45Å; K276-L320 HydrophobicContact CB-CD1 4.13Å; K276-R321 WeakPolarHBondContact O-CB 3.45Å; K276-R321 PolarHBondContact O-N 2.94Å; K276-A360 HydrophobicContact CD-CB 4.25Å
277F89.3Confident81.8Confident20 Ų2059.1 Ų59.19%0.08832%0.323CS..EExtended strand (participates in β ladder)trans-109.6157.3-176.4-62.4-86.7000110.7L239 I260 L264 S273 A274 N275 V318 R319 L320 R321L239-F277 HydrophobicContact CD2-CD1 4.05Å; L239-F277 HydrophobicContact CD2-CE1 3.34Å; L239-F277 HydrophobicContact CD2-CZ 3.94Å; I260-F277 HydrophobicContact CG2-CB 3.87Å; L264-F277 HydrophobicContact CD1-CD2 3.58Å; L264-F277 HydrophobicContact CD1-CE2 4.03Å; L264-F277 HydrophobicContact CD1-CG 4.25Å; L264-F277 HydrophobicContact CD2-CD1 4.31Å; L264-F277 HydrophobicContact CD2-CD2 3.77Å; L264-F277 HydrophobicContact CD2-CE1 4.3Å; L264-F277 HydrophobicContact CD2-CE2 3.72Å; L264-F277 HydrophobicContact CD2-CG 4.06Å; L264-F277 HydrophobicContact CD2-CZ 4Å; L264-F277 HydrophobicContact CG-CD2 4.29Å; S273-F277 WeakPolarHBondContact O-CD2 3.47Å; A274-F277 PolarHBondContact O-N 3.05Å; A274-F277 VanDerWaalsContact O-N 3.12Å; N275-F277 VanDerWaalsContact C-N 3.33Å; F277-V318 HydrophobicContact CB-CG2 4.35Å; F277-R319 CarbonylContact C-O 3.55Å; F277-R319 VanDerWaalsContact CA-O 3.22Å; F277-R319 WeakPolarHBondContact CA-O 3.09Å; F277-L320 HydrophobicContact CD1-CD1 4.12Å; F277-L320 HydrophobicContact CE1-CB 4.41Å; F277-L320 HydrophobicContact CE1-CD1 3.66Å; F277-L320 HydrophobicContact CE2-CD1 4.44Å; F277-L320 HydrophobicContact CZ-CD1 3.86Å; F277-R321 PolarHBondContact O-NE 3.43Å; F277-R321 VanDerWaalsContact O-NE 3.14Å
278C90.4Very high81.4Confident12 Ų1260.6 Ų60.68%0.08135%0.345CS..EExtended strand (participates in β ladder)trans-129.8155167.159.60000109.6V294 V318 R319 R321C278-V294 HydrophobicContact CB-CG1 3.71Å; C278-V318 WeakPolarHBondContact O-CA 3.32Å; C278-R319 PolarHBondContact N-O 3.22Å; C278-R319 PolarHBondContact O-N 3.24Å; C278-R321 HydrophobicContact CB-CG 3.95Å
279L94.3Very high81.2Confident1 Ų164.5 Ų64.51%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-96.3129.3171.9-168.365.3000107.4I234 A256 V259 I260 L295 P301 F316 V318I234-L279 HydrophobicContact CD1-CD1 4.28Å; I234-L279 HydrophobicContact CG2-CD1 3.97Å; A256-L279 HydrophobicContact CB-CB 4.35Å; A256-L279 HydrophobicContact CB-CD2 4.04Å; V259-L279 HydrophobicContact CB-CD2 4.08Å; V259-L279 HydrophobicContact CG1-CD1 4.21Å; V259-L279 HydrophobicContact CG1-CD2 3.71Å; I260-L279 HydrophobicContact CD1-CB 4.13Å; I260-L279 HydrophobicContact CG1-CB 4.04Å; L279-L295 HydrophobicContact CB-CB 4.46Å; L279-L295 HydrophobicContact CB-CD1 4.39Å; L279-L295 HydrophobicContact CD2-CD1 3.83Å; L279-L295 HydrophobicContact CG-CD1 4.01Å; L279-L295 WeakPolarHBondContact O-CB 3.19Å; L279-L295 PolarHBondContact O-N 3.11Å; L279-P301 HydrophobicContact CD2-CB 4.43Å; L279-P301 HydrophobicContact CD2-CG 3.48Å; L279-P301 VanDerWaalsContact CD2-CG 3.48Å; L279-F316 HydrophobicContact CD1-CB 4.17Å; L279-F316 HydrophobicContact CD2-CD1 4.47Å; L279-F316 HydrophobicContact CG-CB 4.49Å; L279-V318 HydrophobicContact CD1-CG2 4.49Å
280V92.5Very high81.4Confident4 Ų466.9 Ų66.92%0.02436%0.364CS..EExtended strand (participates in β ladder)trans-116.1122.8-176-174.40000108.3V282 E292 R293 V294 F316 H317 R319V280-V282 HydrophobicContact CG1-CG2 3.95Å; V280-E292 HydrophobicContact CG1-CB 3.95Å; V280-R293 WeakPolarHBondContact CA-O 3.35Å; V280-V294 HydrophobicContact CG2-CG2 4.35Å; V280-F316 CarbonylContact O-C 3.51Å; V280-F316 WeakPolarHBondContact O-CA 3.48Å; V280-H317 PolarHBondContact N-O 2.97Å; V280-H317 PolarHBondContact O-N 3.43Å; V280-R319 HydrophobicContact CG2-CB 4.26Å; V280-R319 HydrophobicContact CG2-CG 4.18Å
281E91.3Very high81.9Confident8 Ų869.9 Ų69.94%0.03737%0.365CS..EExtended strand (participates in β ladder)trans-78123.5166.1-177.6-172.3178.500108.2R283 E292 R293 L295 I304 P314 F316E281-R283 IonicContact OE1-CZ 3.72Å; E281-R283 IonicContact OE1-NE 3.51Å; E281-R283 PolarHBondContact OE1-NE 2.96Å; E281-R283 IonicContact OE1-NH2 3.39Å; E281-R283 PolarHBondContact OE1-NH2 3.18Å; E281-E292 WeakPolarHBondContact O-CA 3.4Å; E281-R293 HydrophobicContact CB-CB 4.38Å; E281-R293 PolarHBondContact N-O 2.87Å; E281-R293 PolarHBondContact O-N 2.91Å; E281-R293 IonicContact OE2-NH1 3.63Å; E281-R293 PolarHBondContact OE2-NH1 3.13Å; E281-L295 HydrophobicContact CB-CD2 3.99Å; E281-L295 HydrophobicContact CB-CG 4.21Å; E281-I304 HydrophobicContact CG-CG2 4.49Å; E281-I304 WeakPolarHBondContact OE1-CG2 3.06Å; E281-P314 HydrophobicContact CG-CB 3.61Å; E281-P314 HydrophobicContact CG-CG 4.29Å; E281-F316 HydrophobicContact CB-CE1 4.37Å; E281-F316 HydrophobicContact CG-CE1 4.35Å
282V90.9Very high82.4Confident9 Ų968.8 Ų68.86%0.05537%0.365CS..EExtended strand (participates in β ladder)trans-119.7120.5-178.1-178.70000108.8V280 I290 E291 E292 T315 H317V280-V282 HydrophobicContact CG1-CG2 3.95Å; V282-I290 HydrophobicContact CG1-CG2 3.46Å; V282-I290 VanDerWaalsContact CG1-CG2 3.46Å; V282-E291 WeakPolarHBondContact CA-O 3.5Å; V282-E292 HydrophobicContact CG2-CG 4.28Å; V282-T315 PolarHBondContact N-O 3.41Å; V282-T315 PolarHBondContact O-N 2.96Å; V282-T315 PolarHBondContact O-OG1 3.37Å; V282-H317 HydrophobicContact CG2-CB 4.29Å; V282-H317 WeakPolarHBondContact CG2-CD2 3.49Å
283R85.6Confident83.1Confident75 Ų7565 Ų6528%0.28334%0.343SS..EExtended strand (participates in β ladder)trans-116.1131177.8-69.8178.9-178.9-123.4-3.7109.9E281 I290 E291 P314E281-R283 IonicContact OE1-CZ 3.72Å; E281-R283 IonicContact OE1-NE 3.51Å; E281-R283 PolarHBondContact OE1-NE 2.96Å; E281-R283 IonicContact OE1-NH2 3.39Å; E281-R283 PolarHBondContact OE1-NH2 3.18Å; R283-I290 WeakPolarHBondContact O-CA 3.45Å; R283-E291 HydrophobicContact CB-CB 4.38Å; R283-E291 PolarHBondContact N-O 2.86Å; R283-E291 PolarHBondContact O-N 3.02Å; R283-P314 HydrophobicContact CG-CB 3.82Å
284T82Confident83.8Confident95 Ų9567.9 Ų67.958%0.58336%0.36SS*.EExtended strand (participates in β ladder)trans-95.3113.6171.1-50.90000108.2
285L77.5Confident84.2Confident35 Ų3567.8 Ų67.818%0.18336%0.358CS..  trans-71.8157.9175.8-65.9178.1000110.5D287 G288 Q289 E291L285-D287 WeakPolarHBondContact CB-OD1 3.23Å; L285-D287 PolarHBondContact O-N 3.41Å; L285-D287 VanDerWaalsContact O-N 3.08Å; L285-G288 PolarHBondContact O-N 3.37Å; L285-Q289 HydrophobicContact CB-CB 4.49Å; L285-Q289 HydrophobicContact CD1-CB 4.22Å; L285-Q289 PolarHBondContact N-O 3.15Å; L285-E291 HydrophobicContact CD1-CG 3.79Å; L285-E291 HydrophobicContact CG-CG 4.14Å
286P75.8Confident84.4Confident120 Ų12066.5 Ų66.578%0.77935%0.351SS*.THydrogen-bonded Turntrans-58.1-22-179.8-25.334.2000115.1G288P286-G288 VanDerWaalsContact C-N 3.28Å
287D77.2Confident84.5Confident103 Ų10368.4 Ų68.455%0.55136%0.359SS*.THydrogen-bonded Turntrans-84.70.9176.567.4-10.8000113.5L285 Q289L285-D287 WeakPolarHBondContact CB-OD1 3.23Å; L285-D287 PolarHBondContact O-N 3.41Å; L285-D287 VanDerWaalsContact O-N 3.08Å; D287-Q289 VanDerWaalsContact C-N 3.32Å; D287-Q289 WeakPolarHBondContact OD1-CB 3.46Å; D287-Q289 PolarHBondContact OD1-N 2.85Å; D287-Q289 VanDerWaalsContact OD2-CD 3.27Å; D287-Q289 WeakPolarHBondContact OD2-CG 3.31Å; D287-Q289 PolarHBondContact OD2-NE2 3Å
288G75.1Confident84.1Confident53 Ų5371.5 Ų71.555%0.54638%0.377SS..SBendtrans84-0.5-177.200000114.4L285 P286L285-G288 PolarHBondContact O-N 3.37Å; P286-G288 VanDerWaalsContact C-N 3.28Å
289Q74.9Confident84Confident123 Ų12372.2 Ų72.258%0.57538%0.38SS*.  trans-70.5144.5173.4-66.4-173.316.900110.8L285 D287L285-Q289 HydrophobicContact CB-CB 4.49Å; L285-Q289 HydrophobicContact CD1-CB 4.22Å; L285-Q289 PolarHBondContact N-O 3.15Å; D287-Q289 VanDerWaalsContact C-N 3.32Å; D287-Q289 WeakPolarHBondContact OD1-CB 3.46Å; D287-Q289 PolarHBondContact OD1-N 2.85Å; D287-Q289 VanDerWaalsContact OD2-CD 3.27Å; D287-Q289 WeakPolarHBondContact OD2-CG 3.31Å; D287-Q289 PolarHBondContact OD2-NE2 3Å
290I80.9Confident83.9Confident106 Ų10673.1 Ų73.154%0.54439%0.386SS..EExtended strand (participates in β ladder)trans-103.8115.5179.3-58.5178.3000108.2V282 R283 E292V282-I290 HydrophobicContact CG1-CG2 3.46Å; V282-I290 VanDerWaalsContact CG1-CG2 3.46Å; R283-I290 WeakPolarHBondContact O-CA 3.45Å; I290-E292 HydrophobicContact CG2-CG 3.91Å
291E80.8Confident83.9Confident111 Ų11173 Ų7352%0.51939%0.385SS..EExtended strand (participates in β ladder)trans-93.1130.8168.9-78.4-172.9163.600110V282 R283 L285V282-E291 WeakPolarHBondContact CA-O 3.5Å; R283-E291 HydrophobicContact CB-CB 4.38Å; R283-E291 PolarHBondContact N-O 2.86Å; R283-E291 PolarHBondContact O-N 3.02Å; L285-E291 HydrophobicContact CD1-CG 3.79Å; L285-E291 HydrophobicContact CG-CG 4.14Å
292E87.3Confident83.9Confident107 Ų10773.5 Ų73.550%0.539%0.388SS..EExtended strand (participates in β ladder)trans-123.6128.7-179.7-57.2-170.4153.900110.7V280 E281 V282 I290 R319V280-E292 HydrophobicContact CG1-CB 3.95Å; E281-E292 WeakPolarHBondContact O-CA 3.4Å; V282-E292 HydrophobicContact CG2-CG 4.28Å; I290-E292 HydrophobicContact CG2-CG 3.91Å; E292-R319 IonicContact OE1-CZ 3.14Å; E292-R319 VanDerWaalsContact OE1-CZ 3.23Å; E292-R319 IonicContact OE1-NH1 3.93Å; E292-R319 PolarHBondContact OE1-NH1 3.3Å; E292-R319 IonicContact OE1-NH2 3.59Å; E292-R319 PolarHBondContact OE1-NH2 2.91Å; E292-R319 IonicContact OE2-CZ 3.83Å; E292-R319 IonicContact OE2-NH1 2.93Å; E292-R319 PolarHBondContact OE2-NH1 3.16Å
293R85.7Confident83.7Confident103 Ų10375.8 Ų75.839%0.38940%0.399SS..EExtended strand (participates in β ladder)trans-124118.4174.6176.5177.4169.5-112.8-10.1109.2V280 E281 L295 D299V280-R293 WeakPolarHBondContact CA-O 3.35Å; E281-R293 HydrophobicContact CB-CB 4.38Å; E281-R293 PolarHBondContact N-O 2.87Å; E281-R293 PolarHBondContact O-N 2.91Å; E281-R293 IonicContact OE2-NH1 3.63Å; E281-R293 PolarHBondContact OE2-NH1 3.13Å; R293-L295 PolarHBondContact O-N 3.19Å; R293-D299 IonicContact CZ-OD2 3.71Å; R293-D299 IonicContact NH2-OD1 3.04Å; R293-D299 PolarHBondContact NH2-OD1 2.8Å; R293-D299 IonicContact NH2-OD2 3.51Å; R293-D299 PolarHBondContact NH2-OD2 3.15Å
294V88.2Confident83.9Confident89 Ų8972.4 Ų72.454%0.53939%0.387SS..EExtended strand (participates in β ladder)trans-68.1125.4169.4-176.60000108.3C278 V280C278-V294 HydrophobicContact CB-CG1 3.71Å; V280-V294 HydrophobicContact CG2-CG2 4.35Å
295L87.8Confident84.1Confident9 Ų970.3 Ų70.35%0.04737%0.372CS..PPolyproline II helixtrans-79.4138.1178.1-64.7-179.4000110.9A256 L279 E281 R293 D299 P301 I304 F316A256-L295 HydrophobicContact CB-CB 4.27Å; L279-L295 HydrophobicContact CB-CB 4.46Å; L279-L295 HydrophobicContact CB-CD1 4.39Å; L279-L295 HydrophobicContact CD2-CD1 3.83Å; L279-L295 HydrophobicContact CG-CD1 4.01Å; L279-L295 WeakPolarHBondContact O-CB 3.19Å; L279-L295 PolarHBondContact O-N 3.11Å; E281-L295 HydrophobicContact CB-CD2 3.99Å; E281-L295 HydrophobicContact CB-CG 4.21Å; R293-L295 PolarHBondContact O-N 3.19Å; L295-D299 WeakPolarHBondContact CA-OD2 3.18Å; L295-D299 HydrophobicContact CB-CB 4.02Å; L295-D299 HydrophobicContact CD2-CB 4.11Å; L295-D299 WeakPolarHBondContact CD2-OD2 3.3Å; L295-D299 HydrophobicContact CG-CB 4.48Å; L295-P301 HydrophobicContact CD1-CG 4.2Å; L295-I304 HydrophobicContact CD1-CD1 3.94Å; L295-I304 HydrophobicContact CD2-CD1 3.37Å; L295-I304 HydrophobicContact CG-CD1 4.32Å; L295-F316 HydrophobicContact CD1-CD1 3.74Å; L295-F316 HydrophobicContact CD1-CE1 3.79Å
296D83.4Confident84.3Confident114 Ų11471.9 Ų71.961%0.6139%0.39SS*.PPolyproline II helixtrans-71.2156.3171.6-78.9-46.6000110.3A256 D298 D299A256-D296 WeakPolarHBondContact CB-O 3.39Å; D296-D298 PolarHBondContact O-N 3.35Å; D296-D299 PolarHBondContact N-OD2 3.06Å; D296-D299 WeakPolarHBondContact O-CB 3.46Å; D296-D299 PolarHBondContact O-N 2.68Å
297K82.6Confident84.4Confident140 Ų14074 Ų7461%0.60938%0.382SS*.THydrogen-bonded Turntrans-55.1-25.7178.767179.4-177.7177.60113.4R255 D257R255-K297 WeakPolarHBondContact CB-O 3.29Å; D257-K297 HydrophobicContact CB-CB 4.39Å
298D81.4Confident83.1Confident85 Ų8578.8 Ų78.846%0.45540%0.402SS..THydrogen-bonded Turntrans-94.5-9.4-177.4-63.9-56.1000112.9R255 D296R255-D298 IonicContact CZ-OD1 3.94Å; R255-D298 IonicContact NH1-OD1 3.58Å; R255-D298 PolarHBondContact NH1-OD1 3.44Å; D296-D298 PolarHBondContact O-N 3.35Å
299D89.5Confident82.1Confident26 Ų2678.9 Ų78.914%0.13940%0.403CS..  trans-63.4143.2172.9-82.8-43.9000110.1R255 A256 R293 L295 D296 I304R255-D299 CarbonylContact C-O 3.55Å; R255-D299 WeakPolarHBondContact CA-O 3.41Å; A256-D299 PolarHBondContact N-O 3.15Å; R293-D299 IonicContact CZ-OD2 3.71Å; R293-D299 IonicContact NH2-OD1 3.04Å; R293-D299 PolarHBondContact NH2-OD1 2.8Å; R293-D299 IonicContact NH2-OD2 3.51Å; R293-D299 PolarHBondContact NH2-OD2 3.15Å; L295-D299 WeakPolarHBondContact CA-OD2 3.18Å; L295-D299 HydrophobicContact CB-CB 4.02Å; L295-D299 HydrophobicContact CD2-CB 4.11Å; L295-D299 WeakPolarHBondContact CD2-OD2 3.3Å; L295-D299 HydrophobicContact CG-CB 4.48Å; D296-D299 PolarHBondContact N-OD2 3.06Å; D296-D299 WeakPolarHBondContact O-CB 3.46Å; D296-D299 PolarHBondContact O-N 2.68Å; D299-I304 HydrophobicContact CB-CD1 4.21Å
300C92.2Very high81Confident20 Ų2078.9 Ų78.914%0.13542%0.416CS..  trans-114.4102.4180-62.10000108.9D254 L302 L303 I304D254-C300 WeakPolarHBondContact O-CA 3.48Å; C300-L302 VanDerWaalsContact C-N 3.31Å; C300-L302 PolarHBondContact O-N 2.94Å; C300-L303 HydrophobicContact CB-CB 4.03Å; C300-L303 HydrophobicContact CB-CD1 3.85Å; C300-L303 HydrophobicContact CB-CG 4.14Å; C300-L303 WeakPolarHBondContact O-CB 3.03Å; C300-L303 PolarHBondContact O-N 3.44Å; C300-I304 PolarHBondContact O-N 3.48Å; C300-I304 VanDerWaalsContact O-N 3.11Å
301P92.1Very high79.8Confident1 Ų177.7 Ų77.71%0.00641%0.411CS..Hα-helixtrans-55.3-37.2-171.6-32.339.8000115.3L232 D254 V259 L279 L295 I304 L305 F316L232-P301 HydrophobicContact CD2-CB 3.41Å; L232-P301 VanDerWaalsContact CD2-CB 3.41Å; L232-P301 HydrophobicContact CD2-CG 4.37Å; D254-P301 WeakPolarHBondContact O-CD 3.3Å; V259-P301 HydrophobicContact CG2-CG 4.09Å; L279-P301 HydrophobicContact CD2-CB 4.43Å; L279-P301 HydrophobicContact CD2-CG 3.48Å; L279-P301 VanDerWaalsContact CD2-CG 3.48Å; L295-P301 HydrophobicContact CD1-CG 4.2Å; P301-I304 WeakPolarHBondContact O-CB 3.3Å; P301-I304 PolarHBondContact O-N 2.99Å; P301-L305 PolarHBondContact O-N 3.19Å; P301-L305 VanDerWaalsContact O-N 3.1Å; P301-F316 HydrophobicContact CB-CD1 4.02Å; P301-F316 HydrophobicContact CB-CE1 3.79Å; P301-F316 HydrophobicContact CB-CG 4.47Å; P301-F316 HydrophobicContact CB-CZ 4.05Å; P301-F316 WeakPolarHBondContact O-CZ 3.34Å
302L89.9Confident79.1Confident20 Ų2075 Ų7511%0.10541%0.413CS..Hα-helixtrans-68.1-34.4175.5-74.2-177.9000113L232 L250 L252 C300 I304 L305 A306L232-L302 HydrophobicContact CB-CD2 4.21Å; L232-L302 HydrophobicContact CD1-CD2 4.35Å; L250-L302 HydrophobicContact CB-CD1 3.77Å; L250-L302 HydrophobicContact CB-CG 4.38Å; L250-L302 WeakPolarHBondContact O-CD1 3.41Å; L252-L302 HydrophobicContact CD1-CB 4.16Å; C300-L302 VanDerWaalsContact C-N 3.31Å; C300-L302 PolarHBondContact O-N 2.94Å; L302-I304 VanDerWaalsContact C-N 3.27Å; L302-I304 PolarHBondContact O-N 3.38Å; L302-L305 HydrophobicContact CD2-CD1 4.34Å; L302-L305 PolarHBondContact O-N 3.2Å; L302-A306 WeakPolarHBondContact O-CB 3.48Å; L302-A306 PolarHBondContact O-N 3.47Å
303L88.6Confident78.7Confident56 Ų5676.5 Ų76.529%0.29342%0.424SS..Hα-helixtrans-70-25.3171.9-75.7175000112.4L252 C300 R307L252-L303 HydrophobicContact CD1-CD2 3.93Å; L252-L303 HydrophobicContact CD1-CG 4.35Å; L252-L303 HydrophobicContact CD2-CD2 3.95Å; L252-L303 HydrophobicContact CG-CD2 3.7Å; L252-L303 HydrophobicContact CG-CG 4.1Å; L252-L303 WeakPolarHBondContact O-CG 3.05Å; C300-L303 HydrophobicContact CB-CB 4.03Å; C300-L303 HydrophobicContact CB-CD1 3.85Å; C300-L303 HydrophobicContact CB-CG 4.14Å; C300-L303 WeakPolarHBondContact O-CB 3.03Å; C300-L303 PolarHBondContact O-N 3.44Å; L303-R307 WeakPolarHBondContact O-CG 3.45Å
304I88.5Confident78.9Confident4 Ų472.1 Ų72.12%0.02141%0.409CS..Hα-helixtrans-70.4-43.7173.7-63.7173.3000109.8E281 L295 D299 C300 P301 L302 A306 R307 P314 F316E281-I304 HydrophobicContact CG-CG2 4.49Å; E281-I304 WeakPolarHBondContact OE1-CG2 3.06Å; L295-I304 HydrophobicContact CD1-CD1 3.94Å; L295-I304 HydrophobicContact CD2-CD1 3.37Å; L295-I304 HydrophobicContact CG-CD1 4.32Å; D299-I304 HydrophobicContact CB-CD1 4.21Å; C300-I304 PolarHBondContact O-N 3.48Å; C300-I304 VanDerWaalsContact O-N 3.11Å; P301-I304 WeakPolarHBondContact O-CB 3.3Å; P301-I304 PolarHBondContact O-N 2.99Å; L302-I304 VanDerWaalsContact C-N 3.27Å; L302-I304 PolarHBondContact O-N 3.38Å; I304-A306 VanDerWaalsContact C-N 3.35Å; I304-R307 PolarHBondContact O-N 3Å; I304-P314 HydrophobicContact CG2-CG 4.21Å; I304-F316 HydrophobicContact CB-CE1 4.4Å; I304-F316 HydrophobicContact CB-CZ 4.13Å; I304-F316 HydrophobicContact CD1-CE1 4.32Å; I304-F316 HydrophobicContact CG2-CE1 4.32Å; I304-F316 HydrophobicContact CG2-CZ 4.07Å
305L87Confident79.1Confident52 Ų5270.1 Ų70.127%0.27240%0.398SS..Hα-helixtrans-64-36.1172.9-75.4176000113.2L232 P301 L302 R307 D313 P314 F316L232-L305 HydrophobicContact CD1-CD1 3.38Å; P301-L305 PolarHBondContact O-N 3.19Å; P301-L305 VanDerWaalsContact O-N 3.1Å; L302-L305 HydrophobicContact CD2-CD1 4.34Å; L302-L305 PolarHBondContact O-N 3.2Å; L305-R307 PolarHBondContact O-N 3.2Å; L305-D313 HydrophobicContact CD2-CB 4.03Å; L305-P314 HydrophobicContact CD2-CG 3.96Å; L305-F316 HydrophobicContact CD1-CE2 3.94Å; L305-F316 HydrophobicContact CD2-CE2 3.9Å; L305-F316 HydrophobicContact CD2-CZ 4.46Å; L305-F316 HydrophobicContact CG-CE2 3.65Å; L305-F316 HydrophobicContact CG-CZ 4.07Å
306A81.6Confident79.5Confident68 Ų6869.8 Ų69.856%0.56240%0.396SS*.THydrogen-bonded Turntrans-72.1-7.2-179.400000114.2L302 I304 E308L302-A306 WeakPolarHBondContact O-CB 3.48Å; L302-A306 PolarHBondContact O-N 3.47Å; I304-A306 VanDerWaalsContact C-N 3.35Å; A306-E308 PolarHBondContact O-N 3.2Å
307R77.6Confident80Confident163 Ų16366 Ų6662%0.61537%0.374SS*.SBendtrans-78113.9176.2-72.9168.7-173.5-1712.1109.2L303 I304 L305 G309L303-R307 WeakPolarHBondContact O-CG 3.45Å; I304-R307 PolarHBondContact O-N 3Å; L305-R307 PolarHBondContact O-N 3.2Å; R307-G309 PolarHBondContact O-N 3.35Å
308E49.7Very low80.5Confident204 Ų20459.4 Ų59.495%0.95335%0.346SS*.  trans-58.2111.8172-67.1-168.116400110.4A306A306-E308 PolarHBondContact O-N 3.2Å
309G54.1Low80.7Confident55 Ų5557.5 Ų57.557%0.56733%0.332SS*.  trans-147.5130.4174.600000110.1R307 N311R307-G309 PolarHBondContact O-N 3.35Å; G309-N311 PolarHBondContact O-N 2.83Å
310S52.4Low80.4Confident123 Ų12360.1 Ų60.186%0.8635%0.346SS*.SBendtrans-68.57-16951.20000116.7
311N54.9Low79.4Confident82 Ų8266.9 Ų66.944%0.43937%0.368SS..SBendtrans-121.159.9-171.7-73.67.6000112.4G309G309-N311 PolarHBondContact O-N 2.83Å
312G66.4Low77.7Confident54 Ų5470.8 Ų70.856%0.55741%0.409SS*.  trans64.2150.9171.900000115.4
313D79.7Confident75.4Confident138 Ų13872.6 Ų72.674%0.73842%0.423SS*.PPolyproline II helixtrans-70.3126.8176.1-68.6-24.4000109.9L305L305-D313 HydrophobicContact CD2-CB 4.03Å
314P89Confident72.8Confident11 Ų1180.8 Ų80.87%0.07145%0.45CS..PPolyproline II helixtrans-62.1148.8173.724.9-33.9000111.1E281 R283 I304 L305 F316E281-P314 HydrophobicContact CG-CB 3.61Å; E281-P314 HydrophobicContact CG-CG 4.29Å; R283-P314 HydrophobicContact CG-CB 3.82Å; I304-P314 HydrophobicContact CG2-CG 4.21Å; L305-P314 HydrophobicContact CD2-CG 3.96Å; P314-F316 HydrophobicContact CG-CE2 4.46Å; P314-F316 HydrophobicContact CG-CZ 4.23Å
315T92.9Very high70.1Confident48 Ų4887.7 Ų87.729%0.29449%0.486SS..EExtended strand (participates in β ladder)trans-99.3152.1168.160.50000110.2Y235 V282 H317Y235-T315 HydrophobicContact CE2-CG2 4.19Å; V282-T315 PolarHBondContact N-O 3.41Å; V282-T315 PolarHBondContact O-N 2.96Å; V282-T315 PolarHBondContact O-OG1 3.37Å; T315-H317 PolarHBondContact OG1-NE2 3.49Å
316F95.2Very high67.2Low2 Ų291.5 Ų91.51%0.00951%0.506CS..EExtended strand (participates in β ladder)trans-114.4124.8-178.6-59.9-90.3000110L232 I234 Y235 L279 V280 E281 L295 P301 I304 L305 P314L232-F316 HydrophobicContact CD1-CD2 3.71Å; L232-F316 HydrophobicContact CD1-CE2 3.89Å; L232-F316 HydrophobicContact CD2-CD2 4.28Å; L232-F316 HydrophobicContact CG-CD2 4.34Å; I234-F316 WeakPolarHBondContact CA-O 3.44Å; I234-F316 HydrophobicContact CD1-CB 3.82Å; Y235-F316 PolarHBondContact N-O 3.28Å; L279-F316 HydrophobicContact CD1-CB 4.17Å; L279-F316 HydrophobicContact CD2-CD1 4.47Å; L279-F316 HydrophobicContact CG-CB 4.49Å; V280-F316 CarbonylContact O-C 3.51Å; V280-F316 WeakPolarHBondContact O-CA 3.48Å; E281-F316 HydrophobicContact CB-CE1 4.37Å; E281-F316 HydrophobicContact CG-CE1 4.35Å; L295-F316 HydrophobicContact CD1-CD1 3.74Å; L295-F316 HydrophobicContact CD1-CE1 3.79Å; P301-F316 HydrophobicContact CB-CD1 4.02Å; P301-F316 HydrophobicContact CB-CE1 3.79Å; P301-F316 HydrophobicContact CB-CG 4.47Å; P301-F316 HydrophobicContact CB-CZ 4.05Å; P301-F316 WeakPolarHBondContact O-CZ 3.34Å; I304-F316 HydrophobicContact CB-CE1 4.4Å; I304-F316 HydrophobicContact CB-CZ 4.13Å; I304-F316 HydrophobicContact CD1-CE1 4.32Å; I304-F316 HydrophobicContact CG2-CE1 4.32Å; I304-F316 HydrophobicContact CG2-CZ 4.07Å; L305-F316 HydrophobicContact CD1-CE2 3.94Å; L305-F316 HydrophobicContact CD2-CE2 3.9Å; L305-F316 HydrophobicContact CD2-CZ 4.46Å; L305-F316 HydrophobicContact CG-CE2 3.65Å; L305-F316 HydrophobicContact CG-CZ 4.07Å; P314-F316 HydrophobicContact CG-CE2 4.46Å; P314-F316 HydrophobicContact CG-CZ 4.23Å
317H94.6Very high64.4Low34 Ų3493 Ų9316%0.15751%0.512CS..EExtended strand (participates in β ladder)trans-118.2132.2-176.7-67.7-108.7000109.4Y235 V280 V282 T315 R319Y235-H317 VanDerWaalsContact CB-CE1 3.45Å; Y235-H317 WeakPolarHBondContact CB-CE1 3.45Å; Y235-H317 VanDerWaalsContact CB-ND1 3.32Å; Y235-H317 WeakPolarHBondContact CB-ND1 3.4Å; Y235-H317 AromaticContact CG-CE1 3.79Å; Y235-H317 CarbonylContact O-C 3.48Å; Y235-H317 VanDerWaalsContact O-CA 3.3Å; Y235-H317 WeakPolarHBondContact O-CA 3.42Å; V280-H317 PolarHBondContact N-O 2.97Å; V280-H317 PolarHBondContact O-N 3.43Å; V282-H317 HydrophobicContact CG2-CB 4.29Å; V282-H317 WeakPolarHBondContact CG2-CD2 3.49Å; T315-H317 PolarHBondContact OG1-NE2 3.49Å; H317-R319 HydrophobicContact CB-CG 4.43Å
318V93.1Very high61.8Low2 Ų291 Ų911%0.01252%0.518CS..EExtended strand (participates in β ladder)trans-89.5128.6170.3960000108.1I234 Y235 L239 I260 T263 F277 C278 L279I234-V318 HydrophobicContact CG2-CB 4.12Å; Y235-V318 PolarHBondContact O-N 3.42Å; L239-V318 HydrophobicContact CD1-CG1 3.23Å; L239-V318 HydrophobicContact CD2-CG1 4.35Å; L239-V318 HydrophobicContact CG-CG1 3.78Å; I260-V318 HydrophobicContact CG1-CG2 4.03Å; I260-V318 HydrophobicContact CG2-CG2 4.34Å; T263-V318 HydrophobicContact CG2-CB 4.19Å; T263-V318 HydrophobicContact CG2-CG1 3.95Å; T263-V318 HydrophobicContact CG2-CG2 4.46Å; F277-V318 HydrophobicContact CB-CG2 4.35Å; C278-V318 WeakPolarHBondContact O-CA 3.32Å; L279-V318 HydrophobicContact CD1-CG2 4.49Å
319R86.3Confident60.5Low45 Ų4585.5 Ų85.517%0.1751%0.508CS..EExtended strand (participates in β ladder)trans-134.9154.5-177-63.4-165.6-176.1152.7-0.5111.6E238 F277 C278 V280 E292 H317E238-R319 WeakPolarHBondContact OE1-CD 3.33Å; E238-R319 IonicContact OE1-NE 3.6Å; E238-R319 VanDerWaalsContact OE2-CA 3.29Å; E238-R319 WeakPolarHBondContact OE2-CA 3.28Å; E238-R319 WeakPolarHBondContact OE2-CB 3.46Å; F277-R319 CarbonylContact C-O 3.55Å; F277-R319 VanDerWaalsContact CA-O 3.22Å; F277-R319 WeakPolarHBondContact CA-O 3.09Å; C278-R319 PolarHBondContact N-O 3.22Å; C278-R319 PolarHBondContact O-N 3.24Å; V280-R319 HydrophobicContact CG2-CB 4.26Å; V280-R319 HydrophobicContact CG2-CG 4.18Å; E292-R319 IonicContact OE1-CZ 3.14Å; E292-R319 VanDerWaalsContact OE1-CZ 3.23Å; E292-R319 IonicContact OE1-NH1 3.93Å; E292-R319 PolarHBondContact OE1-NH1 3.3Å; E292-R319 IonicContact OE1-NH2 3.59Å; E292-R319 PolarHBondContact OE1-NH2 2.91Å; E292-R319 IonicContact OE2-CZ 3.83Å; E292-R319 IonicContact OE2-NH1 2.93Å; E292-R319 PolarHBondContact OE2-NH1 3.16Å; H317-R319 HydrophobicContact CB-CG 4.43Å
320L82.3Confident59.1Low81 Ų8188.3 Ų88.342%0.42452%0.519SS..EExtended strand (participates in β ladder)trans-68.6133.4170.9-162.778000109.3E238 K276 F277 G322 S323E238-L320 PolarHBondContact OE2-N 3.41Å; E238-L320 VanDerWaalsContact OE2-N 3.15Å; K276-L320 HydrophobicContact CB-CD1 4.13Å; F277-L320 HydrophobicContact CD1-CD1 4.12Å; F277-L320 HydrophobicContact CE1-CB 4.41Å; F277-L320 HydrophobicContact CE1-CD1 3.66Å; F277-L320 HydrophobicContact CE2-CD1 4.44Å; F277-L320 HydrophobicContact CZ-CD1 3.86Å; L320-G322 PolarHBondContact O-N 3.34Å; L320-S323 PolarHBondContact O-N 3.37Å; L320-S323 VanDerWaalsContact O-N 3.09Å
321R71.1Confident57.7Low161 Ų16191.9 Ų91.961%0.60852%0.519SS*.THydrogen-bonded Turntrans-59.4115.7175.7-73.9-178.6175.8-133.3-4.4109.2N275 K276 F277 C278N275-R321 WeakPolarHBondContact O-CD 3.32Å; N275-R321 PolarHBondContact O-NE 3.27Å; K276-R321 WeakPolarHBondContact O-CB 3.45Å; K276-R321 PolarHBondContact O-N 2.94Å; F277-R321 PolarHBondContact O-NE 3.43Å; F277-R321 VanDerWaalsContact O-NE 3.14Å; C278-R321 HydrophobicContact CB-CG 3.95Å
322G58Low56.2Low84 Ų8493.1 Ų93.187%0.86653%0.534SS*.THydrogen-bonded Turntrans99.2-2.2178.800000115.6L320L320-G322 PolarHBondContact O-N 3.34Å
323S39.7Very low54.2Low57 Ų5798.8 Ų98.840%0.39955%0.545SS..  trans-79.9129.7176.6-1660000111.8L320L320-S323 PolarHBondContact O-N 3.37Å; L320-S323 VanDerWaalsContact O-N 3.09Å
324R34.4Very low51.6Low228 Ų22896.2 Ų96.286%0.8654%0.543SS*.  trans-128.3109.8164.5-77.9-173.5-179.7-179.10.3109.1
325I31.2Very low48.6Very low149 Ų149101.9 Ų101.976%0.76458%0.58SS**  trans53.6114.5154.7-47.3177.2000117.8
326L26.6Very low45.3Very low132 Ų132103.7 Ų103.769%0.69160%0.595SS**  trans-132.5136.7157.8-77.7169.3000109.5Y392L326-Y392 HydrophobicContact CD2-CD2 3.64Å; L326-Y392 HydrophobicContact CD2-CE2 4.4Å; L326-Y392 HydrophobicContact CD2-CG 3.75Å
327S23.1Very low41.9Very low101 Ų101112.8 Ų112.871%0.70664%0.637SS**  trans-125.2119.2171.156.40000111.8
328T23.3Very low38.8Very low121 Ų121119.3 Ų119.374%0.74267%0.667SS**  trans41.4125.5137.165.50000123.4
329A22.6Very low35.6Very low88 Ų88128.7 Ų128.773%0.72771%0.711SS**  84.4118.8129.300000121.8
330S24.7Very low32.9Very low114 Ų114133.1 Ų133.180%0.79774%0.743SS**  157.1130.9108.1-72.20000116.1
331K22.1Very low30.6Very low198 Ų198135.4 Ų135.486%0.86175%0.751SS**  trans17.7134145.6-58.4177.2-179.9176.70121.9
332S24.3Very low29.4Very low108 Ų108130.3 Ų130.376%0.75574%0.744SS**  160.2178122.858.80000115.5
333H24.4Very low29Very low172 Ų172129.3 Ų129.380%0.79672%0.721SS**  trans-87.7159.5-145.9-95.6-69.4000120.1
334A24.1Very low29.4Very low84 Ų84130.9 Ų130.969%0.69472%0.722SS**  trans37.5122.3144.700000121.7
335P26.5Very low30.8Very low131 Ų131124.3 Ų124.385%0.85171%0.707SS**PPolyproline II helixtrans-95.3147.4-176.635.7-32.1000115.1
336S24.4Very low33Very low85 Ų85117.9 Ų117.959%0.59467%0.674SS**PPolyproline II helixtrans-97.8149.7170.553.30000112.5
337E23.5Very low35.8Very low193 Ų193112 Ų11290%0.90264%0.644SS**PPolyproline II helixtrans-64.1128-175.2-59.3170.9163.700113.3
338H28.4Very low38.7Very low171 Ų171107.9 Ų107.979%0.79261%0.613SS**  trans-134.6145.2165.1-81.7-63.8000110.9
339E26.7Very low41.8Very low199 Ų199102.1 Ų102.193%0.9358%0.578SS**  trans-52.6134.6-169.3-70.2172.8137.600114.8Q341E339-Q341 PolarHBondContact O-N 2.91Å
340V29.1Very low44.6Very low138 Ų13898.2 Ų98.284%0.83654%0.544SS*.  trans-85.594.3-173.3-174.40000110.3
341Q34.6Very low47.2Very low129 Ų12994.9 Ų94.960%0.60352%0.516SS*.  trans-81.8138.6145.7-146.1169.221.800106.9E339 V343E339-Q341 PolarHBondContact O-N 2.91Å; Q341-V343 PolarHBondContact O-N 3.45Å
342A46.4Very low49.9Very low54 Ų5485.7 Ų85.745%0.44648%0.477SS..  trans-57111.2-177.700000109.8E344 T345A342-E344 PolarHBondContact O-N 2.91Å; A342-T345 PolarHBondContact O-N 3.32Å; A342-T345 VanDerWaalsContact O-N 3.12Å; A342-T345 PolarHBondContact O-OG1 2.84Å
343V49.7Very low52.1Low64 Ų6483 Ų8339%0.38845%0.454SS..G310 helixtrans-53.8-25.3-178.1179.70000111.5Q341 T345 L346 V367 V462Q341-V343 PolarHBondContact O-N 3.45Å; V343-T345 PolarHBondContact O-N 3.31Å; V343-T345 VanDerWaalsContact O-N 3.16Å; V343-L346 PolarHBondContact O-N 3.41Å; V343-V367 HydrophobicContact CG1-CG1 4.36Å; V343-V462 HydrophobicContact CG1-CG2 4.03Å
344E47.6Very low54.2Low89 Ų8980.6 Ų80.642%0.41645%0.453SS..G310 helixtrans-57.2-22.7177.7-61.3-177.7162.200114.7A342 G454 R846A342-E344 PolarHBondContact O-N 2.91Å; E344-G454 VanDerWaalsContact O-CA 3.24Å; E344-G454 WeakPolarHBondContact O-CA 3.42Å; E344-R846 IonicContact OE1-NH1 3.74Å; E344-R846 PolarHBondContact OE1-NH1 3.26Å
345T63.6Low56.3Low90 Ų9082.5 Ų82.555%0.55245%0.452SS*.G310 helixtrans-101.7-4.8-179.858.70000114.5A342 V343A342-T345 PolarHBondContact O-N 3.32Å; A342-T345 VanDerWaalsContact O-N 3.12Å; A342-T345 PolarHBondContact O-OG1 2.84Å; V343-T345 PolarHBondContact O-N 3.31Å; V343-T345 VanDerWaalsContact O-N 3.16Å
346L77.7Confident57.8Low15 Ų1577.9 Ų77.98%0.07943%0.428CS..  trans-73.8145.1-174.3-69.8174.9000111.9V343 V367 P370 L405 G454V343-L346 PolarHBondContact O-N 3.41Å; L346-V367 HydrophobicContact CB-CG1 3.66Å; L346-V367 HydrophobicContact CD1-CG1 3.93Å; L346-V367 HydrophobicContact CG-CG1 4.47Å; L346-P370 HydrophobicContact CD2-CG 4.2Å; L346-L405 HydrophobicContact CD2-CD2 4.02Å; L346-G454 PolarHBondContact O-N 3.42Å
347P85.5Confident59.5Low9 Ų976.1 Ų76.16%0.05842%0.416CS..  trans-68.3157.817424.6-28.2000111.5I368 L405 F450 H451P347-I368 HydrophobicContact CB-CD1 4.46Å; P347-I368 HydrophobicContact CG-CB 4.18Å; P347-I368 HydrophobicContact CG-CG2 4.45Å; P347-I368 WeakPolarHBondContact O-CB 3.43Å; P347-I368 PolarHBondContact O-N 2.69Å; P347-L405 HydrophobicContact CG-CD1 3.72Å; P347-L405 HydrophobicContact CG-CD2 3.64Å; P347-L405 HydrophobicContact CG-CG 4.29Å; P347-F450 HydrophobicContact CB-CE2 3.66Å; P347-F450 HydrophobicContact CB-CZ 3.64Å; P347-H451 CarbonylContact C-O 3.51Å; P347-H451 WeakPolarHBondContact CA-O 3.48Å; P347-H451 VanDerWaalsContact CB-O 3.24Å; P347-H451 WeakPolarHBondContact CB-O 3.34Å
348Y84.3Confident60.9Low13 Ų1372.6 Ų72.65%0.05140%0.399CS..EExtended strand (participates in β ladder)trans-149.5161.4-178.766.5-81.1000114.2L350 V365 F366 F450 H451 K453 I458Y348-L350 HydrophobicContact CD2-CB 4.4Å; Y348-L350 HydrophobicContact CE2-CB 4.14Å; Y348-V365 HydrophobicContact CD2-CG1 3.76Å; Y348-V365 HydrophobicContact CE2-CG1 4.41Å; Y348-V365 HydrophobicContact CG-CG1 4.27Å; Y348-F366 CarbonylContact C-O 3.55Å; Y348-F366 WeakPolarHBondContact CA-O 3.37Å; Y348-F366 VanDerWaalsContact CB-O 3.28Å; Y348-F366 WeakPolarHBondContact CB-O 3.24Å; Y348-F450 WeakPolarHBondContact O-CA 3.46Å; Y348-H451 HydrophobicContact CD1-CB 3.69Å; Y348-H451 HydrophobicContact CD2-CB 4.42Å; Y348-H451 HydrophobicContact CE1-CB 3.26Å; Y348-H451 AromaticContact CE1-CG 3.94Å; Y348-H451 HydrophobicContact CE2-CB 4.07Å; Y348-H451 AromaticContact CE2-CD2 3.55Å; Y348-H451 HydrophobicContact CG-CB 4.27Å; Y348-H451 VanDerWaalsContact CZ-CB 3.47Å; Y348-H451 AromaticContact CZ-CD2 3.48Å; Y348-H451 VanDerWaalsContact CZ-CD2 3.48Å; Y348-H451 AromaticContact CZ-CG 3.6Å; Y348-H451 PolarHBondContact N-O 3.16Å; Y348-H451 PolarHBondContact O-N 3.02Å; Y348-H451 PolarHBondContact OH-CD2 2.98Å; Y348-K453 WeakPolarHBondContact CE1-O 3.42Å; Y348-I458 HydrophobicContact CD1-CD1 3.12Å; Y348-I458 HydrophobicContact CD1-CG1 3.76Å; Y348-I458 HydrophobicContact CD2-CD1 4.27Å; Y348-I458 HydrophobicContact CD2-CG1 4.37Å; Y348-I458 HydrophobicContact CE1-CD1 3.74Å; Y348-I458 HydrophobicContact CE1-CG1 3.93Å; Y348-I458 HydrophobicContact CG-CD1 3.42Å; Y348-I458 VanDerWaalsContact CG-CD1 3.42Å; Y348-I458 HydrophobicContact CG-CG1 3.99Å
349L88.2Confident61.9Low0 Ų065.6 Ų65.60%037%0.369CS..EExtended strand (participates in β ladder)trans-104.2126.1168.5-63.3176.9000109.5V365 F366 I368 L389 I403 V440 F448 F450L349-V365 WeakPolarHBondContact O-CA 3.5Å; L349-F366 HydrophobicContact CB-CB 4.34Å; L349-F366 PolarHBondContact N-O 3.18Å; L349-F366 PolarHBondContact O-N 3.42Å; L349-I368 HydrophobicContact CD2-CD1 4.5Å; L349-I368 HydrophobicContact CG-CD1 4.14Å; L349-L389 HydrophobicContact CD1-CD2 4.24Å; L349-I403 HydrophobicContact CD1-CD1 3.73Å; L349-I403 HydrophobicContact CD2-CD1 4.47Å; L349-I403 HydrophobicContact CG-CD1 4.34Å; L349-V440 HydrophobicContact CD2-CG2 4.44Å; L349-F448 HydrophobicContact CB-CB 4.01Å; L349-F448 HydrophobicContact CB-CD1 3.86Å; L349-F448 HydrophobicContact CB-CG 4.08Å; L349-F448 HydrophobicContact CD1-CG 4.29Å; L349-F448 HydrophobicContact CD2-CB 3.99Å; L349-F448 HydrophobicContact CG-CB 4.4Å; L349-F450 HydrophobicContact CD2-CB 3.98Å; L349-F450 HydrophobicContact CD2-CD2 4.02Å
350L81.2Confident62.8Low6 Ų659.8 Ų59.83%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-101.4118.5169.5175.865.1000109Y348 I352 V365 F448 R449 L457Y348-L350 HydrophobicContact CD2-CB 4.4Å; Y348-L350 HydrophobicContact CE2-CB 4.14Å; L350-I352 HydrophobicContact CD2-CG2 4.4Å; L350-I352 HydrophobicContact CG-CG2 4.27Å; L350-I352 PolarHBondContact O-N 3.38Å; L350-V365 HydrophobicContact CD1-CG2 3.86Å; L350-F448 CarbonylContact O-C 3.48Å; L350-F448 VanDerWaalsContact O-CA 3.23Å; L350-F448 WeakPolarHBondContact O-CA 3.26Å; L350-R449 PolarHBondContact N-O 2.64Å; L350-R449 PolarHBondContact O-N 2.82Å; L350-L457 HydrophobicContact CD1-CD2 3.79Å; L350-L457 HydrophobicContact CD2-CD2 4.42Å
351E79.2Confident63.3Low44 Ų4455.4 Ų55.421%0.20634%0.338CS..EExtended strand (participates in β ladder)trans-65.9128.3173.7-168.2174.7-16200110.5P359 R364 F448E351-P359 VanDerWaalsContact O-CD 3.24Å; E351-P359 WeakPolarHBondContact O-CD 3.46Å; E351-P359 WeakPolarHBondContact O-CG 3.38Å; E351-R364 HydrophobicContact CB-CB 4.17Å; E351-R364 PolarHBondContact N-O 3.29Å; E351-R364 VanDerWaalsContact OE2-CB 3.27Å; E351-R364 WeakPolarHBondContact OE2-CB 3.39Å; E351-R364 VanDerWaalsContact OE2-CD 3.27Å; E351-R364 WeakPolarHBondContact OE2-CD 3.26Å; E351-R364 VanDerWaalsContact OE2-CG 3.27Å; E351-R364 WeakPolarHBondContact OE2-CG 3.5Å; E351-F448 HydrophobicContact CB-CD1 3.98Å; E351-F448 HydrophobicContact CB-CE1 3.81Å; E351-F448 HydrophobicContact CG-CD1 4.45Å; E351-F448 HydrophobicContact CG-CE1 4.06Å
352I79.1Confident63.6Low6 Ų652.4 Ų52.43%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-126.2151.3179.860.7170.4000110.5L350 L439 L447 R449L350-I352 HydrophobicContact CD2-CG2 4.4Å; L350-I352 HydrophobicContact CG-CG2 4.27Å; L350-I352 PolarHBondContact O-N 3.38Å; I352-L439 HydrophobicContact CD1-CD2 3.49Å; I352-L439 VanDerWaalsContact CD1-CD2 3.49Å; I352-L447 HydrophobicContact CD1-CD2 3.8Å; I352-L447 HydrophobicContact CD1-CG 3.86Å; I352-L447 HydrophobicContact CG1-CB 4.16Å; I352-L447 HydrophobicContact CG1-CD2 3.84Å; I352-L447 HydrophobicContact CG1-CG 3.66Å; I352-L447 WeakPolarHBondContact CG1-O 3.34Å; I352-L447 PolarHBondContact N-O 2.87Å; I352-R449 HydrophobicContact CD1-CB 4.43Å; I352-R449 HydrophobicContact CG2-CB 4.37Å
353N70.1Confident63.7Low50 Ų5050.8 Ų50.827%0.26732%0.321SS..  trans-67.1158.3173.5-64.8-35.7000110.6D355 G356 S357 E358 P359N353-D355 WeakPolarHBondContact CB-OD1 3.26Å; N353-D355 PolarHBondContact O-N 2.8Å; N353-D355 VanDerWaalsContact O-N 3.07Å; N353-G356 PolarHBondContact O-N 2.94Å; N353-S357 WeakPolarHBondContact CB-O 3.46Å; N353-S357 PolarHBondContact N-O 2.94Å; N353-S357 PolarHBondContact ND2-O 3.28Å; N353-S357 PolarHBondContact ND2-OG 3.11Å; N353-E358 VanDerWaalsContact ND2-C 3.33Å; N353-E358 PolarHBondContact ND2-O 3.48Å; N353-P359 WeakPolarHBondContact OD1-CA 3.3Å
354P67.8Low64.1Low122 Ų12255.5 Ų55.579%0.79233%0.331SS*.THydrogen-bonded Turntrans-56.7-24.9177.9-26.334.5000115.1G356P354-G356 VanDerWaalsContact C-N 3.27Å
355D68.5Low65.1Low125 Ų12553.2 Ų53.267%0.66832%0.323SS*.THydrogen-bonded Turntrans-84.42.5176.766.5-3.7000113.5N353 S357N353-D355 WeakPolarHBondContact CB-OD1 3.26Å; N353-D355 PolarHBondContact O-N 2.8Å; N353-D355 VanDerWaalsContact O-N 3.07Å; D355-S357 VanDerWaalsContact C-N 3.29Å; D355-S357 VanDerWaalsContact CG-OG 3.26Å; D355-S357 PolarHBondContact O-N 2.81Å; D355-S357 VanDerWaalsContact OD1-CB 3.26Å; D355-S357 WeakPolarHBondContact OD1-CB 3.48Å; D355-S357 PolarHBondContact OD1-N 3.21Å; D355-S357 PolarHBondContact OD1-OG 2.79Å; D355-S357 PolarHBondContact OD2-OG 3.42Å
356G59.5Low65.8Low34 Ų3450.7 Ų50.735%0.35131%0.305SS..SBendtrans82.8-2.3-178.100000114.8N353 P354N353-G356 PolarHBondContact O-N 2.94Å; P354-G356 VanDerWaalsContact C-N 3.27Å
357S59.3Low65.9Low47 Ų4751.3 Ų51.333%0.32931%0.309SS..PPolyproline II helixtrans-77.515917570.90000112.1N353 D355N353-S357 WeakPolarHBondContact CB-O 3.46Å; N353-S357 PolarHBondContact N-O 2.94Å; N353-S357 PolarHBondContact ND2-O 3.28Å; N353-S357 PolarHBondContact ND2-OG 3.11Å; D355-S357 VanDerWaalsContact C-N 3.29Å; D355-S357 VanDerWaalsContact CG-OG 3.26Å; D355-S357 PolarHBondContact O-N 2.81Å; D355-S357 VanDerWaalsContact OD1-CB 3.26Å; D355-S357 WeakPolarHBondContact OD1-CB 3.48Å; D355-S357 PolarHBondContact OD1-N 3.21Å; D355-S357 PolarHBondContact OD1-OG 2.79Å; D355-S357 PolarHBondContact OD2-OG 3.42Å
358E51.7Low65.9Low119 Ų11950.9 Ų50.956%0.55631%0.306SS*.PPolyproline II helixtrans-71.3141172.6-69.5-174.7176.900111.2N353 A360N353-E358 VanDerWaalsContact ND2-C 3.33Å; N353-E358 PolarHBondContact ND2-O 3.48Å; E358-A360 PolarHBondContact O-N 3.32Å
359P49.9Very low65.7Low24 Ų2457.3 Ų57.316%0.15633%0.33CS..PPolyproline II helixtrans-53.9140.2173.1-23.933.4000111E351 N353 G361E351-P359 VanDerWaalsContact O-CD 3.24Å; E351-P359 WeakPolarHBondContact O-CD 3.46Å; E351-P359 WeakPolarHBondContact O-CG 3.38Å; N353-P359 WeakPolarHBondContact OD1-CA 3.3Å; P359-G361 PolarHBondContact O-N 3.01Å
360A45Very low65.4Low77 Ų7759.6 Ų59.664%0.63635%0.345SS*.SBendtrans-66.1-8-178.600000114.6K276 E358K276-A360 HydrophobicContact CD-CB 4.25Å; E358-A360 PolarHBondContact O-N 3.32Å
361G39.5Very low65.6Low46 Ų4664 Ų6447%0.47437%0.369SS..SBendtrans-109.9-152.3178.300000112.7P359 S363P359-G361 PolarHBondContact O-N 3.01Å; G361-S363 PolarHBondContact O-N 3.33Å
362A41.1Very low66.2Low66 Ų6664.9 Ų64.955%0.54538%0.377SS..  trans-68.4102.7167.800000110.2R364 K508A362-R364 PolarHBondContact O-N 3.43Å; A362-R364 VanDerWaalsContact O-N 3.13Å; A362-K508 HydrophobicContact CB-CD 4.01Å; A362-K508 HydrophobicContact CB-CG 4.4Å
363S49.4Very low66.8Low21 Ų2164.6 Ų64.615%0.14738%0.376CS..PPolyproline II helixtrans-51.2119.4164.5-43.60000108.1G361 V365G361-S363 PolarHBondContact O-N 3.33Å; S363-V365 PolarHBondContact O-N 2.99Å
364R58.6Low67.9Low163 Ų16364.8 Ų64.862%0.61538%0.375SS*.PPolyproline II helixtrans-71.9120178.1-66.2-178.9172.7173.5-3.1108E351 A362E351-R364 HydrophobicContact CB-CB 4.17Å; E351-R364 PolarHBondContact N-O 3.29Å; E351-R364 VanDerWaalsContact OE2-CB 3.27Å; E351-R364 WeakPolarHBondContact OE2-CB 3.39Å; E351-R364 VanDerWaalsContact OE2-CD 3.27Å; E351-R364 WeakPolarHBondContact OE2-CD 3.26Å; E351-R364 VanDerWaalsContact OE2-CG 3.27Å; E351-R364 WeakPolarHBondContact OE2-CG 3.5Å; A362-R364 PolarHBondContact O-N 3.43Å; A362-R364 VanDerWaalsContact O-N 3.13Å
365V67.3Low69.1Low40 Ų4059 Ų5924%0.24234%0.338CS..EExtended strand (participates in β ladder)trans-1021171731770000107.1Y348 L349 L350 S363 L457 I458Y348-V365 HydrophobicContact CD2-CG1 3.76Å; Y348-V365 HydrophobicContact CE2-CG1 4.41Å; Y348-V365 HydrophobicContact CG-CG1 4.27Å; L349-V365 WeakPolarHBondContact O-CA 3.5Å; L350-V365 HydrophobicContact CD1-CG2 3.86Å; S363-V365 PolarHBondContact O-N 2.99Å; V365-L457 HydrophobicContact CG2-CD2 3.86Å; V365-I458 HydrophobicContact CG1-CG1 4.11Å
366F78Confident70.1Confident37 Ų3753 Ų5316%0.16231%0.306CS..EExtended strand (participates in β ladder)trans-107.4110175.8-178-92000110.1Y348 L349 I368 T373 L389Y348-F366 CarbonylContact C-O 3.55Å; Y348-F366 WeakPolarHBondContact CA-O 3.37Å; Y348-F366 VanDerWaalsContact CB-O 3.28Å; Y348-F366 WeakPolarHBondContact CB-O 3.24Å; L349-F366 HydrophobicContact CB-CB 4.34Å; L349-F366 PolarHBondContact N-O 3.18Å; L349-F366 PolarHBondContact O-N 3.42Å; F366-I368 HydrophobicContact CD1-CG1 4.16Å; F366-I368 HydrophobicContact CE1-CG1 4.22Å; F366-T373 HydrophobicContact CE1-CG2 3.6Å; F366-T373 HydrophobicContact CZ-CG2 3.42Å; F366-T373 VanDerWaalsContact CZ-CG2 3.42Å; F366-L389 HydrophobicContact CB-CD1 4.46Å; F366-L389 HydrophobicContact CB-CD2 4.4Å; F366-L389 HydrophobicContact CD1-CD2 4.28Å; F366-L389 HydrophobicContact CD2-CB 4.11Å; F366-L389 HydrophobicContact CD2-CD1 3.7Å; F366-L389 HydrophobicContact CD2-CD2 4.41Å; F366-L389 HydrophobicContact CD2-CG 4.27Å; F366-L389 HydrophobicContact CE1-CB 4.37Å; F366-L389 HydrophobicContact CE2-CB 3.85Å; F366-L389 HydrophobicContact CE2-CD1 4.2Å; F366-L389 HydrophobicContact CG-CB 4.45Å; F366-L389 HydrophobicContact CG-CD1 4.12Å; F366-L389 HydrophobicContact CG-CD2 4.08Å; F366-L389 HydrophobicContact CG-CG 4.44Å; F366-L389 HydrophobicContact CZ-CB 4Å
367V79.9Confident71.4Confident29 Ų2953.1 Ų53.118%0.17630%0.3CS..EExtended strand (participates in β ladder)trans-78121.9177.2-1750000109.6V343 L346 R369 I458V343-V367 HydrophobicContact CG1-CG1 4.36Å; L346-V367 HydrophobicContact CB-CG1 3.66Å; L346-V367 HydrophobicContact CD1-CG1 3.93Å; L346-V367 HydrophobicContact CG-CG1 4.47Å; V367-R369 PolarHBondContact O-N 2.99Å; V367-I458 HydrophobicContact CG2-CD1 3.95Å
368I85.7Confident72.6Confident0 Ų053 Ų530%030%0.296CS..  trans-82.4110.1177.6-61.6159000107.8P347 L349 F366 I403 L405 F450P347-I368 HydrophobicContact CB-CD1 4.46Å; P347-I368 HydrophobicContact CG-CB 4.18Å; P347-I368 HydrophobicContact CG-CG2 4.45Å; P347-I368 WeakPolarHBondContact O-CB 3.43Å; P347-I368 PolarHBondContact O-N 2.69Å; L349-I368 HydrophobicContact CD2-CD1 4.5Å; L349-I368 HydrophobicContact CG-CD1 4.14Å; F366-I368 HydrophobicContact CD1-CG1 4.16Å; F366-I368 HydrophobicContact CE1-CG1 4.22Å; I368-I403 HydrophobicContact CD1-CD1 4.11Å; I368-I403 HydrophobicContact CD1-CG2 3.94Å; I368-I403 HydrophobicContact CG1-CG2 4.25Å; I368-I403 HydrophobicContact CG2-CG2 3.69Å; I368-L405 HydrophobicContact CG2-CB 3.99Å; I368-L405 HydrophobicContact CG2-CD2 4.35Å; I368-L405 WeakPolarHBondContact O-CD2 3.46Å; I368-F450 HydrophobicContact CD1-CD2 3.8Å; I368-F450 HydrophobicContact CD1-CE2 3.54Å
369R81.1Confident73.7Confident147 Ų14757.9 Ų57.956%0.55531%0.309SS*.  trans-79.9159.1176.8-64.4-175.2178.797.7-1.3110.9V367 Q387V367-R369 PolarHBondContact O-N 2.99Å; R369-Q387 PolarHBondContact O-NE2 2.72Å; R369-Q387 VanDerWaalsContact O-NE2 3.15Å
370P81.4Confident74.9Confident48 Ų4862.4 Ų62.431%0.31233%0.333SS..SBendtrans-52.4155.9173.5-25.735.2000112.4L346 Q387L346-P370 HydrophobicContact CD2-CG 4.2Å; P370-Q387 PolarHBondContact O-NE2 2.96Å; P370-Q387 PolarHBondContact O-OE1 3.22Å
371N86Confident76.4Confident99 Ų9959.7 Ų59.753%0.52931%0.306SS..EExtended strand (participates in β ladder)trans74.6-147.8-172.9-46.3-57.4000113.1A404 L405N371-A404 CarbonylContact O-C 3.56Å; N371-A404 WeakPolarHBondContact O-CA 3.41Å; N371-L405 PolarHBondContact N-O 2.86Å; N371-L405 PolarHBondContact O-N 2.87Å
372V90.5Very high77.4Confident63 Ų6362.2 Ų62.238%0.38231%0.309SS..EExtended strand (participates in β ladder)trans-104.3125-170.2-176.40000109.7V402 A404V372-V402 HydrophobicContact CG1-CB 3.71Å; V372-V402 HydrophobicContact CG1-CG1 3.86Å; V372-V402 HydrophobicContact CG1-CG2 4.27Å; V372-A404 HydrophobicContact CG2-CB 4.16Å
373T92.3Very high78.5Confident0 Ų063.2 Ų63.20%031%0.305CS..EExtended strand (participates in β ladder)trans-104.3122.2169.6-52.20000109.5F366 Q387 V402 I403F366-T373 HydrophobicContact CE1-CG2 3.6Å; F366-T373 HydrophobicContact CZ-CG2 3.42Å; F366-T373 VanDerWaalsContact CZ-CG2 3.42Å; T373-Q387 VanDerWaalsContact CA-O 3.3Å; T373-Q387 WeakPolarHBondContact CA-O 3.13Å; T373-Q387 HydrophobicContact CG2-CG 4.32Å; T373-Q387 PolarHBondContact OG1-NE2 3.1Å; T373-Q387 VanDerWaalsContact OG1-NE2 3.12Å; T373-V402 CarbonylContact O-C 3.5Å; T373-V402 VanDerWaalsContact O-CA 3.25Å; T373-V402 WeakPolarHBondContact O-CA 3.32Å; T373-I403 PolarHBondContact N-O 3.43Å; T373-I403 PolarHBondContact O-N 3.46Å
374E93.4Very high78.8Confident54 Ų5466.8 Ų66.825%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-84.6143.1176.6-52.5-158.2162.700111.9F381 Q387 A388 L389 R399 V402E374-F381 HydrophobicContact CB-CE1 3.76Å; E374-F381 HydrophobicContact CB-CE2 4.18Å; E374-F381 HydrophobicContact CB-CZ 3.48Å; E374-F381 VanDerWaalsContact CB-CZ 3.48Å; E374-F381 HydrophobicContact CG-CE1 4.47Å; E374-F381 HydrophobicContact CG-CZ 4.45Å; E374-F381 WeakPolarHBondContact OE2-CE1 3.16Å; E374-F381 VanDerWaalsContact OE2-CZ 3.29Å; E374-F381 WeakPolarHBondContact OE2-CZ 3.39Å; E374-Q387 PolarHBondContact N-O 2.96Å; E374-A388 HydrophobicContact CB-CB 4.26Å; E374-A388 CarbonylContact O-C 3.57Å; E374-A388 WeakPolarHBondContact O-CA 3.35Å; E374-A388 WeakPolarHBondContact O-CB 3.29Å; E374-L389 PolarHBondContact O-N 3.26Å; E374-R399 IonicContact OE1-CZ 3.41Å; E374-R399 IonicContact OE1-NE 3.65Å; E374-R399 IonicContact OE1-NH2 2.61Å; E374-R399 PolarHBondContact OE1-NH2 3Å; E374-R399 IonicContact OE2-CZ 2.73Å; E374-R399 IonicContact OE2-NE 3.07Å; E374-R399 PolarHBondContact OE2-NE 3.47Å; E374-R399 IonicContact OE2-NH2 3.75Å; E374-V402 HydrophobicContact CB-CG1 4.46Å; E374-V402 HydrophobicContact CG-CG1 4.15Å
375I94Very high78.8Confident0 Ų065 Ų650%033%0.33CS..EExtended strand (participates in β ladder)trans-130.4129.9-179.8-47.8-174.3000109.5L389 L391 H400 C401 I403 I442I375-L389 WeakPolarHBondContact CA-O 3.3Å; I375-L389 HydrophobicContact CD1-CD2 4.29Å; I375-L389 HydrophobicContact CG1-CB 4.14Å; I375-L389 HydrophobicContact CG2-CB 4.29Å; I375-L389 HydrophobicContact CG2-CD2 4.28Å; I375-L389 HydrophobicContact CG2-CG 4.3Å; I375-L391 HydrophobicContact CG2-CD1 3.52Å; I375-L391 HydrophobicContact CG2-CG 3.99Å; I375-H400 WeakPolarHBondContact O-CA 3.15Å; I375-H400 WeakPolarHBondContact O-CB 3.34Å; I375-H400 PolarHBondContact O-N 2.9Å; I375-C401 WeakPolarHBondContact CA-O 3.09Å; I375-C401 PolarHBondContact N-O 3.04Å; I375-C401 PolarHBondContact O-N 3.43Å; I375-I403 HydrophobicContact CD1-CD1 3.62Å; I375-I403 HydrophobicContact CD1-CG1 3.75Å; I375-I442 HydrophobicContact CD1-CD1 4.05Å; I375-I442 HydrophobicContact CG2-CD1 3.95Å
376G89.3Confident78.9Confident0 Ų064.9 Ų64.90%033%0.334CS..EExtended strand (participates in β ladder)trans163.8-166.4-179.700000112.8L389 C390 L391 L397 P398G376-L389 PolarHBondContact N-O 3.38Å; G376-C390 CarbonylContact O-C 3.52Å; G376-C390 VanDerWaalsContact O-CA 3.27Å; G376-C390 WeakPolarHBondContact O-CA 3.46Å; G376-L391 PolarHBondContact O-N 3.09Å; G376-L397 CarbonylContact C-O 3.5Å; G376-L397 WeakPolarHBondContact CA-O 3.44Å; G376-P398 CarbonylContact C-O 3.46Å; G376-P398 WeakPolarHBondContact CA-O 3.46Å
377C85.7Confident79.1Confident35 Ų3566 Ų6624%0.23634%0.339CS..  trans-108.314.7-177.2680000114.2L391 Y392 V396 L397 P398C377-L391 VanDerWaalsContact CB-O 3.23Å; C377-L391 WeakPolarHBondContact CB-O 3.24Å; C377-Y392 HydrophobicContact CB-CD1 4.32Å; C377-V396 HydrophobicContact CB-CG1 4.32Å; C377-V396 PolarHBondContact SG-O 3.11Å; C377-L397 PolarHBondContact N-O 2.98Å; C377-P398 PolarHBondContact N-O 3.34Å; C377-P398 VanDerWaalsContact N-O 3.15Å; C377-P398 VanDerWaalsContact SG-CA 3.59Å; C377-P398 VanDerWaalsContact SG-N 3.38Å
378D84.6Confident79.2Confident46 Ų4665.4 Ų65.425%0.24634%0.338CS..  trans-61.9136178.1-163.5-68.2000111.3N380 F381 P398D378-N380 PolarHBondContact O-N 3.44Å; D378-N380 VanDerWaalsContact OD1-CB 3.24Å; D378-N380 WeakPolarHBondContact OD1-CB 3.37Å; D378-N380 PolarHBondContact OD1-N 2.53Å; D378-N380 PolarHBondContact OD1-ND2 3.01Å; D378-F381 HydrophobicContact CB-CD1 4.26Å; D378-F381 HydrophobicContact CB-CD2 4.13Å; D378-F381 HydrophobicContact CB-CE1 4.22Å; D378-F381 HydrophobicContact CB-CE2 4.1Å; D378-F381 HydrophobicContact CB-CG 4.21Å; D378-F381 HydrophobicContact CB-CZ 4.16Å; D378-F381 WeakPolarHBondContact O-CB 3.12Å; D378-F381 PolarHBondContact O-N 3.1Å; D378-F381 VanDerWaalsContact O-N 3.08Å; D378-P398 HydrophobicContact CB-CB 4.18Å; D378-P398 WeakPolarHBondContact CB-O 3.09Å; D378-P398 PolarHBondContact N-O 2.95Å
379R76.1Confident79.2Confident220 Ų22066.6 Ų66.683%0.8334%0.344SS*.G310 helixtrans-62.3-26.6-179.2-67.8-177.3174.5-168.9-2.5112.7F381 N382R379-F381 PolarHBondContact O-N 3.34Å; R379-N382 PolarHBondContact O-N 2.85Å
380N74.7Confident79.2Confident120 Ų12060.8 Ų60.864%0.64233%0.326SS*.G310 helixtrans-69-19.9178.1-66.3-31.6000112.8D378 N382 N383D378-N380 PolarHBondContact O-N 3.44Å; D378-N380 VanDerWaalsContact OD1-CB 3.24Å; D378-N380 WeakPolarHBondContact OD1-CB 3.37Å; D378-N380 PolarHBondContact OD1-N 2.53Å; D378-N380 PolarHBondContact OD1-ND2 3.01Å; N380-N382 PolarHBondContact O-N 2.89Å; N380-N383 VanDerWaalsContact O-CB 3.23Å; N380-N383 WeakPolarHBondContact O-CB 3.45Å; N380-N383 PolarHBondContact O-N 3.39Å; N380-N383 VanDerWaalsContact O-N 3.13Å
381F75.5Confident79.3Confident20 Ų2058.8 Ų58.89%0.08831%0.313CS..G310 helixtrans-70.9-13.3177.7-64.4-10.7000113.4E374 D378 R379 N383 A388 C390 P398 R399E374-F381 HydrophobicContact CB-CE1 3.76Å; E374-F381 HydrophobicContact CB-CE2 4.18Å; E374-F381 HydrophobicContact CB-CZ 3.48Å; E374-F381 VanDerWaalsContact CB-CZ 3.48Å; E374-F381 HydrophobicContact CG-CE1 4.47Å; E374-F381 HydrophobicContact CG-CZ 4.45Å; E374-F381 WeakPolarHBondContact OE2-CE1 3.16Å; E374-F381 VanDerWaalsContact OE2-CZ 3.29Å; E374-F381 WeakPolarHBondContact OE2-CZ 3.39Å; D378-F381 HydrophobicContact CB-CD1 4.26Å; D378-F381 HydrophobicContact CB-CD2 4.13Å; D378-F381 HydrophobicContact CB-CE1 4.22Å; D378-F381 HydrophobicContact CB-CE2 4.1Å; D378-F381 HydrophobicContact CB-CG 4.21Å; D378-F381 HydrophobicContact CB-CZ 4.16Å; D378-F381 WeakPolarHBondContact O-CB 3.12Å; D378-F381 PolarHBondContact O-N 3.1Å; D378-F381 VanDerWaalsContact O-N 3.08Å; R379-F381 PolarHBondContact O-N 3.34Å; F381-N383 PolarHBondContact O-N 2.92Å; F381-A388 HydrophobicContact CB-CB 3.69Å; F381-A388 HydrophobicContact CD1-CB 3.53Å; F381-A388 HydrophobicContact CD2-CB 4.09Å; F381-A388 HydrophobicContact CE1-CB 4.13Å; F381-A388 HydrophobicContact CG-CB 3.51Å; F381-C390 HydrophobicContact CB-CB 4.04Å; F381-P398 VanDerWaalsContact CE2-O 3.29Å; F381-P398 WeakPolarHBondContact CE2-O 3.36Å; F381-R399 HydrophobicContact CZ-CG 4.05Å
382N61.9Low78.9Confident98 Ų9859.2 Ų59.252%0.52431%0.308SS..G310 helixtrans-79.6-1.8172.5-67-13.4000112.8R379 N380 C390 Y392R379-N382 PolarHBondContact O-N 2.85Å; N380-N382 PolarHBondContact O-N 2.89Å; N382-C390 PolarHBondContact OD1-SG 2.94Å; N382-C390 VanDerWaalsContact OD1-SG 3.42Å; N382-Y392 PolarHBondContact ND2-OH 2.96Å
383N62.8Low78.1Confident88 Ų8857.6 Ų57.647%0.47130%0.303SS..SBendtrans-72.3123.9173.2-174.3-19.9000109.7N380 F381 N385 A386N380-N383 VanDerWaalsContact O-CB 3.23Å; N380-N383 WeakPolarHBondContact O-CB 3.45Å; N380-N383 PolarHBondContact O-N 3.39Å; N380-N383 VanDerWaalsContact O-N 3.13Å; F381-N383 PolarHBondContact O-N 2.92Å; N383-N385 PolarHBondContact O-N 3.16Å; N383-N385 PolarHBondContact OD1-N 3.45Å; N383-N385 VanDerWaalsContact OD1-N 3.1Å; N383-A386 HydrophobicContact CB-CB 4.21Å; N383-A386 WeakPolarHBondContact O-CB 3.44Å; N383-A386 PolarHBondContact O-N 2.82Å
384P55.8Low77.3Confident95 Ų9562.3 Ų62.362%0.61733%0.334SS*.THydrogen-bonded Turntrans-60.5-19.9-178.921.5-31.9000114.4
385N59.9Low76.8Confident125 Ų12564.1 Ų64.167%0.66834%0.341SS*.THydrogen-bonded Turntrans-87.2-7.9175.7-66.5-18.9000113.5N383N383-N385 PolarHBondContact O-N 3.16Å; N383-N385 PolarHBondContact OD1-N 3.45Å; N383-N385 VanDerWaalsContact OD1-N 3.1Å
386A68.1Low76.5Confident39 Ų3964.6 Ų64.632%0.32234%0.344SS..SBendtrans-80.8128.2177.500000110.1N383 A388N383-A386 HydrophobicContact CB-CB 4.21Å; N383-A386 WeakPolarHBondContact O-CB 3.44Å; N383-A386 PolarHBondContact O-N 2.82Å; A386-A388 HydrophobicContact CB-CB 4.28Å; A386-A388 PolarHBondContact O-N 3.17Å
387Q82.2Confident76.6Confident59 Ų5966.6 Ų66.628%0.27636%0.355SS..  trans-77.676.8167.7-170.8173-2700108.7R369 P370 T373 E374R369-Q387 PolarHBondContact O-NE2 2.72Å; R369-Q387 VanDerWaalsContact O-NE2 3.15Å; P370-Q387 PolarHBondContact O-NE2 2.96Å; P370-Q387 PolarHBondContact O-OE1 3.22Å; T373-Q387 VanDerWaalsContact CA-O 3.3Å; T373-Q387 WeakPolarHBondContact CA-O 3.13Å; T373-Q387 HydrophobicContact CG2-CG 4.32Å; T373-Q387 PolarHBondContact OG1-NE2 3.1Å; T373-Q387 VanDerWaalsContact OG1-NE2 3.12Å; E374-Q387 PolarHBondContact N-O 2.96Å
388A83.1Confident76.8Confident18 Ų1868 Ų6815%0.14936%0.363CS..EExtended strand (participates in β ladder)trans-142.2152.1-175.900000113.1E374 F381 A386E374-A388 HydrophobicContact CB-CB 4.26Å; E374-A388 CarbonylContact O-C 3.57Å; E374-A388 WeakPolarHBondContact O-CA 3.35Å; E374-A388 WeakPolarHBondContact O-CB 3.29Å; F381-A388 HydrophobicContact CB-CB 3.69Å; F381-A388 HydrophobicContact CD1-CB 3.53Å; F381-A388 HydrophobicContact CD2-CB 4.09Å; F381-A388 HydrophobicContact CE1-CB 4.13Å; F381-A388 HydrophobicContact CG-CB 3.51Å; A386-A388 HydrophobicContact CB-CB 4.28Å; A386-A388 PolarHBondContact O-N 3.17Å
389L83.9Confident77.1Confident24 Ų2471.3 Ų71.313%0.12637%0.372CS..EExtended strand (participates in β ladder)trans-111.2107.6170174.159.6000108.6L349 F366 E374 I375 G376 L391 F448L349-L389 HydrophobicContact CD1-CD2 4.24Å; F366-L389 HydrophobicContact CB-CD1 4.46Å; F366-L389 HydrophobicContact CB-CD2 4.4Å; F366-L389 HydrophobicContact CD1-CD2 4.28Å; F366-L389 HydrophobicContact CD2-CB 4.11Å; F366-L389 HydrophobicContact CD2-CD1 3.7Å; F366-L389 HydrophobicContact CD2-CD2 4.41Å; F366-L389 HydrophobicContact CD2-CG 4.27Å; F366-L389 HydrophobicContact CE1-CB 4.37Å; F366-L389 HydrophobicContact CE2-CB 3.85Å; F366-L389 HydrophobicContact CE2-CD1 4.2Å; F366-L389 HydrophobicContact CG-CB 4.45Å; F366-L389 HydrophobicContact CG-CD1 4.12Å; F366-L389 HydrophobicContact CG-CD2 4.08Å; F366-L389 HydrophobicContact CG-CG 4.44Å; F366-L389 HydrophobicContact CZ-CB 4Å; E374-L389 PolarHBondContact O-N 3.26Å; I375-L389 WeakPolarHBondContact CA-O 3.3Å; I375-L389 HydrophobicContact CD1-CD2 4.29Å; I375-L389 HydrophobicContact CG1-CB 4.14Å; I375-L389 HydrophobicContact CG2-CB 4.29Å; I375-L389 HydrophobicContact CG2-CD2 4.28Å; I375-L389 HydrophobicContact CG2-CG 4.3Å; G376-L389 PolarHBondContact N-O 3.38Å; L389-L391 HydrophobicContact CD1-CD2 4.04Å; L389-L391 HydrophobicContact CD2-CD1 4.3Å; L389-L391 HydrophobicContact CD2-CD2 4.18Å; L389-L391 HydrophobicContact CD2-CG 4.31Å; L389-L391 HydrophobicContact CG-CD1 4.48Å; L389-L391 HydrophobicContact CG-CD2 3.91Å; L389-L391 HydrophobicContact CG-CG 3.99Å; L389-F448 HydrophobicContact CD2-CZ 4.43Å
390C82.6Confident78Confident25 Ų2560.8 Ų60.817%0.16933%0.333CS..EExtended strand (participates in β ladder)trans-80.6119.4177.1-165.10000110.6G376 F381 N382 Y392G376-C390 CarbonylContact O-C 3.52Å; G376-C390 VanDerWaalsContact O-CA 3.27Å; G376-C390 WeakPolarHBondContact O-CA 3.46Å; F381-C390 HydrophobicContact CB-CB 4.04Å; N382-C390 PolarHBondContact OD1-SG 2.94Å; N382-C390 VanDerWaalsContact OD1-SG 3.42Å; C390-Y392 PolarHBondContact SG-OH 3.33Å; C390-Y392 VanDerWaalsContact SG-OH 3.33Å
391L83.6Confident79Confident7 Ų755.1 Ų55.14%0.03730%0.302CS..  trans-122.6137.3178.1-61.4-179.2000110I375 G376 C377 L389 V396 I442 H446 F448I375-L391 HydrophobicContact CG2-CD1 3.52Å; I375-L391 HydrophobicContact CG2-CG 3.99Å; G376-L391 PolarHBondContact O-N 3.09Å; C377-L391 VanDerWaalsContact CB-O 3.23Å; C377-L391 WeakPolarHBondContact CB-O 3.24Å; L389-L391 HydrophobicContact CD1-CD2 4.04Å; L389-L391 HydrophobicContact CD2-CD1 4.3Å; L389-L391 HydrophobicContact CD2-CD2 4.18Å; L389-L391 HydrophobicContact CD2-CG 4.31Å; L389-L391 HydrophobicContact CG-CD1 4.48Å; L389-L391 HydrophobicContact CG-CD2 3.91Å; L389-L391 HydrophobicContact CG-CG 3.99Å; L391-V396 HydrophobicContact CB-CG1 4.12Å; L391-V396 WeakPolarHBondContact O-CG1 3.33Å; L391-I442 HydrophobicContact CD1-CB 4.18Å; L391-I442 HydrophobicContact CD1-CD1 3.98Å; L391-I442 HydrophobicContact CD1-CG2 3.95Å; L391-H446 HydrophobicContact CD1-CB 4.18Å; L391-F448 HydrophobicContact CD1-CE2 3.88Å; L391-F448 HydrophobicContact CD1-CZ 4.12Å; L391-F448 HydrophobicContact CD2-CE2 4.47Å; L391-F448 HydrophobicContact CD2-CZ 3.89Å
392Y77.2Confident80Confident108 Ų10855.2 Ų55.242%0.42430%0.304SS..  trans-113.5132.1-179.8-63.4-74.4000110.7L326 C377 N382 C390 H446L326-Y392 HydrophobicContact CD2-CD2 3.64Å; L326-Y392 HydrophobicContact CD2-CE2 4.4Å; L326-Y392 HydrophobicContact CD2-CG 3.75Å; C377-Y392 HydrophobicContact CB-CD1 4.32Å; N382-Y392 PolarHBondContact ND2-OH 2.96Å; C390-Y392 PolarHBondContact SG-OH 3.33Å; C390-Y392 VanDerWaalsContact SG-OH 3.33Å; Y392-H446 PolarHBondContact O-CE1 3.4Å; Y392-H446 VanDerWaalsContact O-CE1 3.22Å; Y392-H446 PolarHBondContact O-NE2 2.83Å
393G73.5Confident81.7Confident28 Ų2850.5 Ų50.529%0.28928%0.279SS..SBendtrans174159177.700000111.7F395 V396G393-F395 PolarHBondContact O-N 3.4Å; G393-F395 VanDerWaalsContact O-N 3.1Å; G393-V396 PolarHBondContact O-N 3Å; G393-V396 VanDerWaalsContact O-N 3.1Å
394P74.5Confident83.1Confident100 Ų10047 Ų4765%0.64926%0.262SS*.THydrogen-bonded Turntrans-62.5-21.2-172.923.6-33.5000114.4
395F84.5Confident84.8Confident91 Ų9143.2 Ų43.240%0.39924%0.237SC..THydrogen-bonded Turntrans-116.116.1179.5-47.6-73.3000112.6G393 H400 G443 R444G393-F395 PolarHBondContact O-N 3.4Å; G393-F395 VanDerWaalsContact O-N 3.1Å; F395-H400 PolarHBondContact O-CE1 3.1Å; F395-H400 PolarHBondContact O-ND1 3.02Å; F395-G443 WeakPolarHBondContact O-CA 3.33Å; F395-R444 HydrophobicContact CD2-CB 4.1Å; F395-R444 HydrophobicContact CD2-CG 4.36Å
396V87.6Confident86.1Confident10 Ų1042.8 Ų42.86%0.06123%0.232CC..  trans-96.2122.4173.8-174.50000108.6C377 L391 G393 H400C377-V396 HydrophobicContact CB-CG1 4.32Å; C377-V396 PolarHBondContact SG-O 3.11Å; L391-V396 HydrophobicContact CB-CG1 4.12Å; L391-V396 WeakPolarHBondContact O-CG1 3.33Å; G393-V396 PolarHBondContact O-N 3Å; G393-V396 VanDerWaalsContact O-N 3.1Å; V396-H400 HydrophobicContact CG1-CB 4.28Å
397L90.5Very high86.9Confident43 Ų4349.1 Ų49.123%0.22526%0.261CS..  trans-85.2159.2-178.6-61.6175000110G376 C377 R399 H400 E416 A419G376-L397 CarbonylContact C-O 3.5Å; G376-L397 WeakPolarHBondContact CA-O 3.44Å; C377-L397 PolarHBondContact N-O 2.98Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 2.99Å; L397-H400 HydrophobicContact CB-CB 4.18Å; L397-H400 PolarHBondContact N-ND1 3.28Å; L397-H400 VanDerWaalsContact N-ND1 3.11Å; L397-E416 HydrophobicContact CD1-CB 4.04Å; L397-A419 HydrophobicContact CD1-CB 4.07Å
398P89.8Confident86.8Confident65 Ų6549 Ų4942%0.42228%0.275SS..SBendtrans-51.4-48.3176.2-29.336.3000112.5G376 C377 D378 F381G376-P398 CarbonylContact C-O 3.46Å; G376-P398 WeakPolarHBondContact CA-O 3.46Å; C377-P398 PolarHBondContact N-O 3.34Å; C377-P398 VanDerWaalsContact N-O 3.15Å; C377-P398 VanDerWaalsContact SG-CA 3.59Å; C377-P398 VanDerWaalsContact SG-N 3.38Å; D378-P398 HydrophobicContact CB-CB 4.18Å; D378-P398 WeakPolarHBondContact CB-O 3.09Å; D378-P398 PolarHBondContact N-O 2.95Å; F381-P398 VanDerWaalsContact CE2-O 3.29Å; F381-P398 WeakPolarHBondContact CE2-O 3.36Å
399R91.2Very high87Confident114 Ų11451.5 Ų51.543%0.4329%0.288SS..SBendtrans-117.898.5165.7-61.9-175.473.8-139.25.2108.1E374 F381 L397 C415E374-R399 IonicContact OE1-CZ 3.41Å; E374-R399 IonicContact OE1-NE 3.65Å; E374-R399 IonicContact OE1-NH2 2.61Å; E374-R399 PolarHBondContact OE1-NH2 3Å; E374-R399 IonicContact OE2-CZ 2.73Å; E374-R399 IonicContact OE2-NE 3.07Å; E374-R399 PolarHBondContact OE2-NE 3.47Å; E374-R399 IonicContact OE2-NH2 3.75Å; F381-R399 HydrophobicContact CZ-CG 4.05Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 2.99Å; R399-C415 HydrophobicContact CB-CB 4.38Å; R399-C415 WeakPolarHBondContact O-CB 3.41Å
400H94.4Very high87.5Confident0 Ų050.6 Ų50.60%028%0.284CS..  trans-91.4-50.1-172.3-164.388.7000111.5I375 F395 V396 L397 C415 A419 E420 I421 I442I375-H400 WeakPolarHBondContact O-CA 3.15Å; I375-H400 WeakPolarHBondContact O-CB 3.34Å; I375-H400 PolarHBondContact O-N 2.9Å; F395-H400 PolarHBondContact O-CE1 3.1Å; F395-H400 PolarHBondContact O-ND1 3.02Å; V396-H400 HydrophobicContact CG1-CB 4.28Å; L397-H400 HydrophobicContact CB-CB 4.18Å; L397-H400 PolarHBondContact N-ND1 3.28Å; L397-H400 VanDerWaalsContact N-ND1 3.11Å; H400-C415 PolarHBondContact O-N 2.91Å; H400-A419 WeakPolarHBondContact O-CB 3.23Å; H400-E420 PolarHBondContact CE1-N 3.45Å; H400-E420 VanDerWaalsContact CE1-N 3.32Å; H400-E420 PolarHBondContact NE2-N 3.28Å; H400-E420 PolarHBondContact NE2-O 2.86Å; H400-I421 WeakPolarHBondContact NE2-CG1 3.41Å; H400-I442 VanDerWaalsContact CD2-CG2 3.47Å; H400-I442 WeakPolarHBondContact CD2-CG2 3.41Å
401C96.7Very high88.2Confident0 Ų051 Ų510%029%0.286CS..EExtended strand (participates in β ladder)trans-153.1173.5174.448.80000111.9I375 L412 T413 C415 I421I375-C401 WeakPolarHBondContact CA-O 3.09Å; I375-C401 PolarHBondContact N-O 3.04Å; I375-C401 PolarHBondContact O-N 3.43Å; C401-L412 HydrophobicContact CB-CD1 4.05Å; C401-T413 CarbonylContact C-O 3.34Å; C401-T413 VanDerWaalsContact CA-O 3.23Å; C401-T413 WeakPolarHBondContact CA-O 3.33Å; C401-T413 WeakPolarHBondContact CB-O 3.34Å; C401-C415 VanDerWaalsContact C-SG 3.53Å; C401-C415 VanDerWaalsContact CA-SG 3.52Å; C401-I421 HydrophobicContact CB-CD1 3.44Å; C401-I421 VanDerWaalsContact CB-CD1 3.44Å
402V96.5Very high88.8Confident22 Ų2250.6 Ų50.613%0.13328%0.284CS..EExtended strand (participates in β ladder)trans-124.5144.2168-62.50000110.4V372 T373 E374 L412 T413V372-V402 HydrophobicContact CG1-CB 3.71Å; V372-V402 HydrophobicContact CG1-CG1 3.86Å; V372-V402 HydrophobicContact CG1-CG2 4.27Å; T373-V402 CarbonylContact O-C 3.5Å; T373-V402 VanDerWaalsContact O-CA 3.25Å; T373-V402 WeakPolarHBondContact O-CA 3.32Å; E374-V402 HydrophobicContact CB-CG1 4.46Å; E374-V402 HydrophobicContact CG-CG1 4.15Å; V402-L412 WeakPolarHBondContact O-CA 3.48Å; V402-T413 PolarHBondContact N-O 3.14Å; V402-T413 PolarHBondContact O-N 2.82Å
403I96.6Very high89.8Confident0 Ų047.4 Ų47.40%028%0.275CS..EExtended strand (participates in β ladder)trans-104.7115.2163.4-64.9178.8000108.2L349 I368 T373 I375 T411 L412 L434L349-I403 HydrophobicContact CD1-CD1 3.73Å; L349-I403 HydrophobicContact CD2-CD1 4.47Å; L349-I403 HydrophobicContact CG-CD1 4.34Å; I368-I403 HydrophobicContact CD1-CD1 4.11Å; I368-I403 HydrophobicContact CD1-CG2 3.94Å; I368-I403 HydrophobicContact CG1-CG2 4.25Å; I368-I403 HydrophobicContact CG2-CG2 3.69Å; T373-I403 PolarHBondContact N-O 3.43Å; T373-I403 PolarHBondContact O-N 3.46Å; I375-I403 HydrophobicContact CD1-CD1 3.62Å; I375-I403 HydrophobicContact CD1-CG1 3.75Å; I403-T411 CarbonylContact C-O 3.49Å; I403-T411 WeakPolarHBondContact CA-O 3.34Å; I403-L412 HydrophobicContact CD1-CD1 4.13Å; I403-L412 HydrophobicContact CG1-CD1 3.49Å; I403-L412 VanDerWaalsContact CG1-CD1 3.49Å; I403-L434 HydrophobicContact CD1-CD1 4.15Å; I403-L434 HydrophobicContact CG1-CD1 4.45Å; I403-L434 HydrophobicContact CG2-CD1 4.42Å
404A93.8Very high90.9Very high14 Ų1447 Ų4712%0.11627%0.268CS..EExtended strand (participates in β ladder)trans-101.1125.3173.700000110.2N371 V372 A410 T411N371-A404 CarbonylContact O-C 3.56Å; N371-A404 WeakPolarHBondContact O-CA 3.41Å; V372-A404 HydrophobicContact CG2-CB 4.16Å; A404-A410 CarbonylContact O-C 3.51Å; A404-A410 WeakPolarHBondContact O-CA 3.49Å; A404-T411 PolarHBondContact N-O 3.02Å; A404-T411 PolarHBondContact O-N 3.48Å; A404-T411 PolarHBondContact O-OG1 3.43Å
405L91.1Very high91.8Very high15 Ų1544.4 Ų44.48%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-106.5101.6171.7-179.262.3000109.1L346 P347 I368 N371 A410L346-L405 HydrophobicContact CD2-CD2 4.02Å; P347-L405 HydrophobicContact CG-CD1 3.72Å; P347-L405 HydrophobicContact CG-CD2 3.64Å; P347-L405 HydrophobicContact CG-CG 4.29Å; I368-L405 HydrophobicContact CG2-CB 3.99Å; I368-L405 HydrophobicContact CG2-CD2 4.35Å; I368-L405 WeakPolarHBondContact O-CD2 3.46Å; N371-L405 PolarHBondContact N-O 2.86Å; N371-L405 PolarHBondContact O-N 2.87Å; L405-A410 HydrophobicContact CD1-CB 4.29Å
406M87Confident92Very high116 Ų11645.3 Ų45.357%0.57126%0.257SS*.EExtended strand (participates in β ladder)trans-128.4132.3178.7-70.2-168.8149.900109.7G408 V409M406-G408 PolarHBondContact O-N 2.83Å; M406-G408 VanDerWaalsContact O-N 3.11Å; M406-V409 PolarHBondContact N-O 3.38Å; M406-V409 VanDerWaalsContact N-O 3.14Å; M406-V409 PolarHBondContact O-N 3.07Å
407D83.9Confident91.8Very high173 Ų17352.5 Ų52.593%0.92530%0.301SS*.THydrogen-bonded Turntrans50.636.3179.5-58.6-34.6000114.3V409D407-V409 VanDerWaalsContact C-N 3.25Å; D407-V409 PolarHBondContact O-N 2.61Å
408G80.9Confident91.6Very high55 Ų5552.9 Ų52.957%0.56732%0.315SS*.THydrogen-bonded Turntrans78.30.6-179.500000115M406M406-G408 PolarHBondContact O-N 2.83Å; M406-G408 VanDerWaalsContact O-N 3.11Å
409V88.4Confident91.7Very high72 Ų7250.2 Ų50.244%0.43630%0.299SS..EExtended strand (participates in β ladder)trans-103.1122.9178.2-176.40000109.9M406 D407 T411 I433M406-V409 PolarHBondContact N-O 3.38Å; M406-V409 VanDerWaalsContact N-O 3.14Å; M406-V409 PolarHBondContact O-N 3.07Å; D407-V409 VanDerWaalsContact C-N 3.25Å; D407-V409 PolarHBondContact O-N 2.61Å; V409-T411 HydrophobicContact CG1-CG2 4.2Å; V409-I433 HydrophobicContact CG1-CG2 3.87Å
410A93.7Very high91.7Very high4 Ų448.1 Ų48.13%0.03329%0.294CS..EExtended strand (participates in β ladder)trans-89.8128.4172.400000110.7A404 L405 L434 F450A404-A410 CarbonylContact O-C 3.51Å; A404-A410 WeakPolarHBondContact O-CA 3.49Å; L405-A410 HydrophobicContact CD1-CB 4.29Å; A410-L434 HydrophobicContact CB-CB 4.21Å; A410-L434 HydrophobicContact CB-CD1 4.36Å; A410-L434 PolarHBondContact O-N 3.49Å; A410-F450 HydrophobicContact CB-CE1 4.48Å; A410-F450 HydrophobicContact CB-CE2 3.61Å; A410-F450 HydrophobicContact CB-CZ 3.43Å; A410-F450 VanDerWaalsContact CB-CZ 3.43Å
411T96.3Very high91.8Very high33 Ų3348.4 Ų48.420%0.20230%0.295CS..EExtended strand (participates in β ladder)trans-125140.6177.158.40000110.7I403 A404 V409 T431 A432 I433I403-T411 CarbonylContact C-O 3.49Å; I403-T411 WeakPolarHBondContact CA-O 3.34Å; A404-T411 PolarHBondContact N-O 3.02Å; A404-T411 PolarHBondContact O-N 3.48Å; A404-T411 PolarHBondContact O-OG1 3.43Å; V409-T411 HydrophobicContact CG1-CG2 4.2Å; T411-T431 HydrophobicContact CG2-CG2 4.28Å; T411-A432 CarbonylContact C-O 3.47Å; T411-A432 VanDerWaalsContact CA-O 3.29Å; T411-A432 WeakPolarHBondContact CA-O 3.45Å; T411-I433 HydrophobicContact CG2-CG1 4.09Å
412L97.6Very high91.7Very high0 Ų049.6 Ų49.60%030%0.304CS..EExtended strand (participates in β ladder)trans-110.8118.4178.5-177.967.7000109.2C401 V402 I403 I421 V423 I428 T431 A432 L434 V440C401-L412 HydrophobicContact CB-CD1 4.05Å; V402-L412 WeakPolarHBondContact O-CA 3.48Å; I403-L412 HydrophobicContact CD1-CD1 4.13Å; I403-L412 HydrophobicContact CG1-CD1 3.49Å; I403-L412 VanDerWaalsContact CG1-CD1 3.49Å; L412-I421 HydrophobicContact CD2-CG2 3.5Å; L412-I421 HydrophobicContact CG-CG2 4.28Å; L412-V423 HydrophobicContact CD2-CG2 4.04Å; L412-I428 HydrophobicContact CD2-CD1 3.99Å; L412-I428 HydrophobicContact CG-CD1 4.15Å; L412-T431 WeakPolarHBondContact O-CA 3.27Å; L412-A432 PolarHBondContact N-O 3.21Å; L412-A432 PolarHBondContact O-N 3.35Å; L412-L434 HydrophobicContact CB-CD1 4.23Å; L412-L434 HydrophobicContact CB-CD2 3.85Å; L412-L434 HydrophobicContact CB-CG 4.06Å; L412-L434 HydrophobicContact CD2-CD2 4.17Å; L412-V440 HydrophobicContact CD2-CG1 3.57Å; L412-V440 HydrophobicContact CD2-CG2 4.48Å
413T96.7Very high91.6Very high40 Ų4049.4 Ų49.425%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-119.6120.5-177.9-55.70000110.1C401 V402 T431C401-T413 CarbonylContact C-O 3.34Å; C401-T413 VanDerWaalsContact CA-O 3.23Å; C401-T413 WeakPolarHBondContact CA-O 3.33Å; C401-T413 WeakPolarHBondContact CB-O 3.34Å; V402-T413 PolarHBondContact N-O 3.14Å; V402-T413 PolarHBondContact O-N 2.82Å; T413-T431 WeakPolarHBondContact CG2-OG1 3.46Å; T413-T431 WeakPolarHBondContact OG1-CG2 3.5Å; T413-T431 PolarHBondContact OG1-OG1 3.45Å
414P97Very high91.4Very high19 Ų1953.6 Ų53.612%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-58.8133.6169.1-19.530.8000111.1A419 I421 I428P414-A419 HydrophobicContact CB-CB 4.2Å; P414-I421 HydrophobicContact CB-CD1 3.8Å; P414-I421 HydrophobicContact CG-CD1 3.9Å; P414-I428 HydrophobicContact CG-CD1 4.21Å; P414-I428 HydrophobicContact CG-CG1 4.12Å
415C94.6Very high91.2Very high47 Ų4757.1 Ų57.132%0.31835%0.354SS..SBendtrans-82.1-27.5179-72.30000113.1R399 H400 C401R399-C415 HydrophobicContact CB-CB 4.38Å; R399-C415 WeakPolarHBondContact O-CB 3.41Å; H400-C415 PolarHBondContact O-N 2.91Å; C401-C415 VanDerWaalsContact C-SG 3.53Å; C401-C415 VanDerWaalsContact CA-SG 3.52Å
416E87.2Confident91.3Very high110 Ų11065.6 Ų65.651%0.51439%0.385SS..SBendtrans-140155.1-176.1-64.3-171.2-17900110.9L397 G418 A419L397-E416 HydrophobicContact CD1-CB 4.04Å; E416-G418 PolarHBondContact O-N 2.97Å; E416-G418 VanDerWaalsContact O-N 3.11Å; E416-A419 VanDerWaalsContact O-CB 3.28Å; E416-A419 WeakPolarHBondContact O-CB 3.37Å; E416-A419 PolarHBondContact O-N 3.43Å
417V83.9Confident91.7Very high161 Ų16165.6 Ų65.698%0.97639%0.393SS*.THydrogen-bonded Turntrans-59.9-24.2179.1-178.50000112.3
418G85.8Confident92.2Very high51 Ų5158.9 Ų58.953%0.52636%0.357SS..THydrogen-bonded Turntrans-89.71.2176.400000115.2E416 E420E416-G418 PolarHBondContact O-N 2.97Å; E416-G418 VanDerWaalsContact O-N 3.11Å; G418-E420 PolarHBondContact O-N 3.06Å; G418-E420 VanDerWaalsContact O-N 3.14Å
419A91.7Very high92.8Very high9 Ų961.8 Ų61.87%0.07437%0.369CS..  trans-76.2102.2-179.200000110.9L397 H400 P414 E416 I421L397-A419 HydrophobicContact CD1-CB 4.07Å; H400-A419 WeakPolarHBondContact O-CB 3.23Å; P414-A419 HydrophobicContact CB-CB 4.2Å; E416-A419 VanDerWaalsContact O-CB 3.28Å; E416-A419 WeakPolarHBondContact O-CB 3.37Å; E416-A419 PolarHBondContact O-N 3.43Å; A419-I421 HydrophobicContact CB-CD1 4Å; A419-I421 PolarHBondContact O-N 3.23Å; A419-I421 VanDerWaalsContact O-N 3.16Å
420E92.6Very high93Very high70 Ų7065.6 Ų65.633%0.32738%0.382SS..  trans-76.499.9-179.5-67.8-154-152.700113.2H400 G418 G443 R444H400-E420 PolarHBondContact CE1-N 3.45Å; H400-E420 VanDerWaalsContact CE1-N 3.32Å; H400-E420 PolarHBondContact NE2-N 3.28Å; H400-E420 PolarHBondContact NE2-O 2.86Å; G418-E420 PolarHBondContact O-N 3.06Å; G418-E420 VanDerWaalsContact O-N 3.14Å; E420-G443 PolarHBondContact O-N 3.37Å; E420-R444 IonicContact OE1-CZ 3.58Å; E420-R444 IonicContact OE1-NE 3.76Å; E420-R444 IonicContact OE1-NH2 2.82Å; E420-R444 PolarHBondContact OE1-NH2 3.23Å; E420-R444 IonicContact OE2-CZ 3.61Å; E420-R444 IonicContact OE2-NE 2.97Å; E420-R444 PolarHBondContact OE2-NE 3.49Å; E420-R444 IonicContact OE2-NH2 2.79Å; E420-R444 PolarHBondContact OE2-NH2 3.38Å
421I96Very high93.1Very high5 Ų569.1 Ų69.13%0.02640%0.403CS..EExtended strand (participates in β ladder)trans-130.6136.7-176.3-56.3157.4000109.2H400 C401 L412 P414 A419 P427 I428 C441H400-I421 WeakPolarHBondContact NE2-CG1 3.41Å; C401-I421 HydrophobicContact CB-CD1 3.44Å; C401-I421 VanDerWaalsContact CB-CD1 3.44Å; L412-I421 HydrophobicContact CD2-CG2 3.5Å; L412-I421 HydrophobicContact CG-CG2 4.28Å; P414-I421 HydrophobicContact CB-CD1 3.8Å; P414-I421 HydrophobicContact CG-CD1 3.9Å; A419-I421 HydrophobicContact CB-CD1 4Å; A419-I421 PolarHBondContact O-N 3.23Å; A419-I421 VanDerWaalsContact O-N 3.16Å; I421-P427 WeakPolarHBondContact O-CA 3.34Å; I421-I428 HydrophobicContact CB-CD1 4.32Å; I421-I428 HydrophobicContact CB-CG1 3.92Å; I421-I428 HydrophobicContact CG2-CD1 3.74Å; I421-I428 HydrophobicContact CG2-CG1 3.79Å; I421-I428 PolarHBondContact O-N 3.11Å; I421-C441 WeakPolarHBondContact CA-O 3.36Å
422S94.2Very high93.1Very high26 Ų2668.5 Ų68.518%0.18240%0.401CS..EExtended strand (participates in β ladder)trans-133.2138.4171.372.10000112.1R426 C441S422-R426 CarbonylContact C-O 3.56Å; S422-R426 WeakPolarHBondContact CA-O 3.42Å; S422-R426 VanDerWaalsContact CB-O 3.3Å; S422-R426 WeakPolarHBondContact CB-O 3.37Å; S422-C441 PolarHBondContact N-O 3.1Å; S422-C441 PolarHBondContact O-N 2.91Å; S422-C441 VanDerWaalsContact OG-CB 3.29Å; S422-C441 WeakPolarHBondContact OG-CB 3.45Å
423V95.7Very high92.9Very high17 Ų1773.8 Ų73.810%0.10343%0.428CS..EExtended strand (participates in β ladder)trans-108125.3170.5-1770000108.2L412 A425 R426 I428 A432 L434 C438 L439L412-V423 HydrophobicContact CD2-CG2 4.04Å; V423-A425 VanDerWaalsContact C-N 3.27Å; V423-A425 PolarHBondContact O-N 3.02Å; V423-R426 PolarHBondContact N-O 3.32Å; V423-R426 WeakPolarHBondContact O-CB 3.4Å; V423-R426 PolarHBondContact O-N 3.44Å; V423-I428 HydrophobicContact CB-CG2 4.48Å; V423-I428 HydrophobicContact CG2-CD1 4.23Å; V423-I428 HydrophobicContact CG2-CG2 4.23Å; V423-A432 HydrophobicContact CG2-CB 4.36Å; V423-L434 HydrophobicContact CG2-CD2 4.15Å; V423-C438 HydrophobicContact CG1-CB 4.02Å; V423-L439 CarbonylContact C-O 3.57Å; V423-L439 VanDerWaalsContact CA-O 3.24Å; V423-L439 WeakPolarHBondContact CA-O 3.44Å
424D92.2Very high92.9Very high88 Ų8872.2 Ų72.247%0.47142%0.418SS..THydrogen-bonded Turntrans50.545.8-174.4-62.4-34.3000113R426 C438 L439D424-R426 PolarHBondContact O-N 2.97Å; D424-R426 VanDerWaalsContact O-N 3.1Å; D424-C438 VanDerWaalsContact OD1-CA 3.32Å; D424-C438 WeakPolarHBondContact OD1-CA 3.04Å; D424-L439 PolarHBondContact N-O 3.25Å; D424-L439 PolarHBondContact OD1-N 3.31Å
425A88.9Confident92.7Very high88 Ų8880.4 Ų80.473%0.72745%0.447SS*.THydrogen-bonded Turntrans59.414.3-175.300000115.1V423V423-A425 VanDerWaalsContact C-N 3.27Å; V423-A425 PolarHBondContact O-N 3.02Å
426R93.8Very high92.5Very high194 Ų19482.7 Ų82.773%0.73246%0.456SS*.EExtended strand (participates in β ladder)trans-101.4119.6171.4-60.2-180-177.5-176.10.8109.6S422 V423 D424S422-R426 CarbonylContact C-O 3.56Å; S422-R426 WeakPolarHBondContact CA-O 3.42Å; S422-R426 VanDerWaalsContact CB-O 3.3Å; S422-R426 WeakPolarHBondContact CB-O 3.37Å; V423-R426 PolarHBondContact N-O 3.32Å; V423-R426 WeakPolarHBondContact O-CB 3.4Å; V423-R426 PolarHBondContact O-N 3.44Å; D424-R426 PolarHBondContact O-N 2.97Å; D424-R426 VanDerWaalsContact O-N 3.1Å
427P94.7Very high92.4Very high116 Ų11679 Ų7975%0.75345%0.447SS*.EExtended strand (participates in β ladder)trans-63.3141.6176.927.3-33.5000110.4I421I421-P427 WeakPolarHBondContact O-CA 3.34Å
428I95Very high92.9Very high32 Ų3271.6 Ų71.616%0.16440%0.403CS..  trans-115.2139.6176.964.8167.3000110L412 P414 I421 V423 A432L412-I428 HydrophobicContact CD2-CD1 3.99Å; L412-I428 HydrophobicContact CG-CD1 4.15Å; P414-I428 HydrophobicContact CG-CD1 4.21Å; P414-I428 HydrophobicContact CG-CG1 4.12Å; I421-I428 HydrophobicContact CB-CD1 4.32Å; I421-I428 HydrophobicContact CB-CG1 3.92Å; I421-I428 HydrophobicContact CG2-CD1 3.74Å; I421-I428 HydrophobicContact CG2-CG1 3.79Å; I421-I428 PolarHBondContact O-N 3.11Å; V423-I428 HydrophobicContact CB-CG2 4.48Å; V423-I428 HydrophobicContact CG2-CD1 4.23Å; V423-I428 HydrophobicContact CG2-CG2 4.23Å; I428-A432 HydrophobicContact CD1-CB 3.83Å; I428-A432 HydrophobicContact CG2-CB 4.04Å
429S92.2Very high93.3Very high116 Ų11671.8 Ų71.881%0.81139%0.392SS*.SBendtrans-115.5-5.6173.657.50000113
430E92.9Very high93.4Very high151 Ų15171.4 Ų71.471%0.70639%0.388SS*.SBendtrans-138.7173.7-17862.8-177175.200109.9A432E430-A432 PolarHBondContact O-N 2.95Å
431T95.9Very high93.5Very high79 Ų7969.2 Ų69.249%0.48538%0.38SS..  trans-55.8124179.2-58.90000111.6T411 L412 T413T411-T431 HydrophobicContact CG2-CG2 4.28Å; L412-T431 WeakPolarHBondContact O-CA 3.27Å; T413-T431 WeakPolarHBondContact CG2-OG1 3.46Å; T413-T431 WeakPolarHBondContact OG1-CG2 3.5Å; T413-T431 PolarHBondContact OG1-OG1 3.45Å
432A95.6Very high93.4Very high20 Ų2069 Ų6917%0.16538%0.379CS..EExtended strand (participates in β ladder)trans-111.4138.4174.500000111T411 L412 V423 I428 E430T411-A432 CarbonylContact C-O 3.47Å; T411-A432 VanDerWaalsContact CA-O 3.29Å; T411-A432 WeakPolarHBondContact CA-O 3.45Å; L412-A432 PolarHBondContact N-O 3.21Å; L412-A432 PolarHBondContact O-N 3.35Å; V423-A432 HydrophobicContact CG2-CB 4.36Å; I428-A432 HydrophobicContact CD1-CB 3.83Å; I428-A432 HydrophobicContact CG2-CB 4.04Å; E430-A432 PolarHBondContact O-N 2.95Å
433I95.4Very high93.2Very high110 Ų11067.8 Ų67.856%0.56437%0.371SS*.EExtended strand (participates in β ladder)trans-79.5126.7171.4-61.5169.4000108.4V409 T411V409-I433 HydrophobicContact CG1-CG2 3.87Å; T411-I433 HydrophobicContact CG2-CG1 4.09Å
434L95.9Very high92.7Very high7 Ų774.5 Ų74.54%0.03739%0.394CS..  trans-81.3131.6175.5-60.5-178.4000109.7I403 A410 L412 V423 V440 F450I403-L434 HydrophobicContact CD1-CD1 4.15Å; I403-L434 HydrophobicContact CG1-CD1 4.45Å; I403-L434 HydrophobicContact CG2-CD1 4.42Å; A410-L434 HydrophobicContact CB-CB 4.21Å; A410-L434 HydrophobicContact CB-CD1 4.36Å; A410-L434 PolarHBondContact O-N 3.49Å; L412-L434 HydrophobicContact CB-CD1 4.23Å; L412-L434 HydrophobicContact CB-CD2 3.85Å; L412-L434 HydrophobicContact CB-CG 4.06Å; L412-L434 HydrophobicContact CD2-CD2 4.17Å; V423-L434 HydrophobicContact CG2-CD2 4.15Å; L434-V440 HydrophobicContact CD2-CG2 3.7Å; L434-F450 HydrophobicContact CB-CD1 3.8Å; L434-F450 HydrophobicContact CB-CD2 4.1Å; L434-F450 HydrophobicContact CB-CE1 3.8Å; L434-F450 HydrophobicContact CB-CE2 4.1Å; L434-F450 HydrophobicContact CB-CG 3.94Å; L434-F450 HydrophobicContact CB-CZ 3.97Å; L434-F450 HydrophobicContact CD1-CD2 3.68Å; L434-F450 HydrophobicContact CD1-CE2 3.92Å; L434-F450 HydrophobicContact CD1-CG 4.15Å
435R92.1Very high92.2Very high191 Ų19173.8 Ų73.872%0.72139%0.393SS*.  trans-112.2147.2178.4-61.7-178.9-177.2-177.4-0.1109.4G437 C438 F450R435-G437 PolarHBondContact O-N 3.43Å; R435-C438 VanDerWaalsContact O-CB 3.3Å; R435-C438 WeakPolarHBondContact O-CB 3.49Å; R435-C438 PolarHBondContact O-N 3.14Å; R435-C438 PolarHBondContact O-SG 2.9Å; R435-F450 WeakPolarHBondContact O-CD1 3.33Å
436D90.4Very high92.1Very high95 Ų9570.5 Ų70.551%0.50836%0.363SS..THydrogen-bonded Turntrans-49.1130.9177-168.257.6000112.1C438 H451 E452D436-C438 VanDerWaalsContact C-N 3.32Å; D436-C438 PolarHBondContact O-N 3.21Å; D436-H451 VanDerWaalsContact OD1-CA 3.24Å; D436-H451 WeakPolarHBondContact OD1-CA 3.47Å; D436-H451 IonicContact OD1-ND1 3.16Å; D436-E452 HydrophobicContact CB-CB 3.81Å; D436-E452 PolarHBondContact OD1-N 3.25Å
437G86.6Confident91.9Very high33 Ų3362.8 Ų62.834%0.3434%0.336SS..THydrogen-bonded Turntrans81.4-6.6-178.900000116.1R435 F450R435-G437 PolarHBondContact O-N 3.43Å; G437-F450 WeakPolarHBondContact CA-O 3.35Å; G437-F450 PolarHBondContact N-O 3.18Å
438C93.8Very high91.8Very high5 Ų557.5 Ų57.53%0.03430%0.301CS..  trans-66148.8-178.673.90000112.4V423 D424 R435 D436 F450V423-C438 HydrophobicContact CG1-CB 4.02Å; D424-C438 VanDerWaalsContact OD1-CA 3.32Å; D424-C438 WeakPolarHBondContact OD1-CA 3.04Å; R435-C438 VanDerWaalsContact O-CB 3.3Å; R435-C438 WeakPolarHBondContact O-CB 3.49Å; R435-C438 PolarHBondContact O-N 3.14Å; R435-C438 PolarHBondContact O-SG 2.9Å; D436-C438 VanDerWaalsContact C-N 3.32Å; D436-C438 PolarHBondContact O-N 3.21Å; C438-F450 PolarHBondContact O-N 2.97Å
439L93.4Very high91.5Very high56 Ų5659.4 Ų59.429%0.29331%0.306SS..EExtended strand (participates in β ladder)trans-94119.9178.9-63.3-174.4000110.8I352 V423 D424 L447 F448 R449I352-L439 HydrophobicContact CD1-CD2 3.49Å; I352-L439 VanDerWaalsContact CD1-CD2 3.49Å; V423-L439 CarbonylContact C-O 3.57Å; V423-L439 VanDerWaalsContact CA-O 3.24Å; V423-L439 WeakPolarHBondContact CA-O 3.44Å; D424-L439 PolarHBondContact N-O 3.25Å; D424-L439 PolarHBondContact OD1-N 3.31Å; L439-L447 HydrophobicContact CB-CD1 4.34Å; L439-F448 CarbonylContact C-O 3.58Å; L439-F448 WeakPolarHBondContact CA-O 3.3Å; L439-R449 HydrophobicContact CD2-CB 4.1Å; L439-R449 HydrophobicContact CD2-CG 4.28Å
440V95.2Very high91.5Very high0 Ų053.9 Ų53.90%027%0.267CS..EExtended strand (participates in β ladder)trans-105.4113.7177.6-179.10000108.9L349 L412 L434 I442 F448 F450L349-V440 HydrophobicContact CD2-CG2 4.44Å; L412-V440 HydrophobicContact CD2-CG1 3.57Å; L412-V440 HydrophobicContact CD2-CG2 4.48Å; L434-V440 HydrophobicContact CD2-CG2 3.7Å; V440-I442 HydrophobicContact CG1-CD1 4.21Å; V440-I442 HydrophobicContact CG1-CG1 3.97Å; V440-F448 HydrophobicContact CB-CB 4.43Å; V440-F448 PolarHBondContact N-O 3.37Å; V440-F448 PolarHBondContact O-N 3.25Å; V440-F450 HydrophobicContact CG2-CB 4.41Å
441C94.2Very high91.2Very high25 Ų2548.5 Ų48.517%0.16924%0.242CC..EExtended strand (participates in β ladder)trans-102.5130.4172.5-171.60000110I421 S422 H446 L447I421-C441 WeakPolarHBondContact CA-O 3.36Å; S422-C441 PolarHBondContact N-O 3.1Å; S422-C441 PolarHBondContact O-N 2.91Å; S422-C441 VanDerWaalsContact OG-CB 3.29Å; S422-C441 WeakPolarHBondContact OG-CB 3.45Å; C441-H446 CarbonylContact C-O 3.46Å; C441-H446 VanDerWaalsContact CA-O 3.3Å; C441-H446 WeakPolarHBondContact CA-O 3.27Å; C441-L447 HydrophobicContact CB-CD1 3.98Å
442I93.5Very high90.6Very high0 Ų049.3 Ų49.30%024%0.241CC..EExtended strand (participates in β ladder)trans-123.1123.1-179.1-58-178.7000109.3I375 L391 H400 V440 R444 T445 H446 F448I375-I442 HydrophobicContact CD1-CD1 4.05Å; I375-I442 HydrophobicContact CG2-CD1 3.95Å; L391-I442 HydrophobicContact CD1-CB 4.18Å; L391-I442 HydrophobicContact CD1-CD1 3.98Å; L391-I442 HydrophobicContact CD1-CG2 3.95Å; H400-I442 VanDerWaalsContact CD2-CG2 3.47Å; H400-I442 WeakPolarHBondContact CD2-CG2 3.41Å; V440-I442 HydrophobicContact CG1-CD1 4.21Å; V440-I442 HydrophobicContact CG1-CG1 3.97Å; I442-R444 VanDerWaalsContact C-N 3.28Å; I442-R444 PolarHBondContact O-N 3.49Å; I442-T445 PolarHBondContact O-N 2.78Å; I442-H446 HydrophobicContact CB-CB 4.38Å; I442-H446 PolarHBondContact N-O 3.29Å; I442-H446 PolarHBondContact O-N 2.89Å; I442-H446 VanDerWaalsContact O-N 3.1Å; I442-F448 HydrophobicContact CD1-CD2 4.38Å; I442-F448 HydrophobicContact CD1-CE2 4.25Å
443G89.9Confident89.5Confident0 Ų055.8 Ų55.80%027%0.265CS..THydrogen-bonded Turntrans58.834.8176.600000114.2F395 E420 T445F395-G443 WeakPolarHBondContact O-CA 3.33Å; E420-G443 PolarHBondContact O-N 3.37Å; G443-T445 PolarHBondContact O-N 3.1Å; G443-T445 PolarHBondContact O-OG1 3.45Å
444R85Confident87.8Confident159 Ų15951.6 Ų51.660%0.625%0.249SC*.THydrogen-bonded Turntrans54.63.8-176.5-57.8-174.3178.1163.614116.5F395 E420 I442F395-R444 HydrophobicContact CD2-CB 4.1Å; F395-R444 HydrophobicContact CD2-CG 4.36Å; E420-R444 IonicContact OE1-CZ 3.58Å; E420-R444 IonicContact OE1-NE 3.76Å; E420-R444 IonicContact OE1-NH2 2.82Å; E420-R444 PolarHBondContact OE1-NH2 3.23Å; E420-R444 IonicContact OE2-CZ 3.61Å; E420-R444 IonicContact OE2-NE 2.97Å; E420-R444 PolarHBondContact OE2-NE 3.49Å; E420-R444 IonicContact OE2-NH2 2.79Å; E420-R444 PolarHBondContact OE2-NH2 3.38Å; I442-R444 VanDerWaalsContact C-N 3.28Å; I442-R444 PolarHBondContact O-N 3.49Å
445T81.2Confident85.8Confident72 Ų7252.7 Ų52.744%0.44226%0.262SS..THydrogen-bonded Turntrans-120.7-42-166.4-44.40000110.6I442 G443I442-T445 PolarHBondContact O-N 2.78Å; G443-T445 PolarHBondContact O-N 3.1Å; G443-T445 PolarHBondContact O-OG1 3.45Å
446H86.7Confident83.6Confident20 Ų2050.8 Ų50.89%0.09326%0.261CS..EExtended strand (participates in β ladder)trans-100.3118.4-175.2-57.8-76.3000109.9L391 Y392 C441 I442 F448L391-H446 HydrophobicContact CD1-CB 4.18Å; Y392-H446 PolarHBondContact O-CE1 3.4Å; Y392-H446 VanDerWaalsContact O-CE1 3.22Å; Y392-H446 PolarHBondContact O-NE2 2.83Å; C441-H446 CarbonylContact C-O 3.46Å; C441-H446 VanDerWaalsContact CA-O 3.3Å; C441-H446 WeakPolarHBondContact CA-O 3.27Å; I442-H446 HydrophobicContact CB-CB 4.38Å; I442-H446 PolarHBondContact N-O 3.29Å; I442-H446 PolarHBondContact O-N 2.89Å; I442-H446 VanDerWaalsContact O-N 3.1Å; H446-F448 HydrophobicContact CB-CD2 4.34Å; H446-F448 HydrophobicContact CB-CE2 3.48Å; H446-F448 VanDerWaalsContact CB-CE2 3.48Å; H446-F448 HydrophobicContact CB-CZ 3.96Å
447L90.3Very high81.5Confident32 Ų3249.5 Ų49.517%0.16825%0.254CS..EExtended strand (participates in β ladder)trans-112.8125178-172.765.8000109.5I352 L439 C441I352-L447 HydrophobicContact CD1-CD2 3.8Å; I352-L447 HydrophobicContact CD1-CG 3.86Å; I352-L447 HydrophobicContact CG1-CB 4.16Å; I352-L447 HydrophobicContact CG1-CD2 3.84Å; I352-L447 HydrophobicContact CG1-CG 3.66Å; I352-L447 WeakPolarHBondContact CG1-O 3.34Å; I352-L447 PolarHBondContact N-O 2.87Å; L439-L447 HydrophobicContact CB-CD1 4.34Å; C441-L447 HydrophobicContact CB-CD1 3.98Å
448F91.9Very high79.4Confident4 Ų448 Ų482%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-123.4147179.8-59.3-83.2000110.9L349 L350 E351 L389 L391 L439 V440 I442 H446L349-F448 HydrophobicContact CB-CB 4.01Å; L349-F448 HydrophobicContact CB-CD1 3.86Å; L349-F448 HydrophobicContact CB-CG 4.08Å; L349-F448 HydrophobicContact CD1-CG 4.29Å; L349-F448 HydrophobicContact CD2-CB 3.99Å; L349-F448 HydrophobicContact CG-CB 4.4Å; L350-F448 CarbonylContact O-C 3.48Å; L350-F448 VanDerWaalsContact O-CA 3.23Å; L350-F448 WeakPolarHBondContact O-CA 3.26Å; E351-F448 HydrophobicContact CB-CD1 3.98Å; E351-F448 HydrophobicContact CB-CE1 3.81Å; E351-F448 HydrophobicContact CG-CD1 4.45Å; E351-F448 HydrophobicContact CG-CE1 4.06Å; L389-F448 HydrophobicContact CD2-CZ 4.43Å; L391-F448 HydrophobicContact CD1-CE2 3.88Å; L391-F448 HydrophobicContact CD1-CZ 4.12Å; L391-F448 HydrophobicContact CD2-CE2 4.47Å; L391-F448 HydrophobicContact CD2-CZ 3.89Å; L439-F448 CarbonylContact C-O 3.58Å; L439-F448 WeakPolarHBondContact CA-O 3.3Å; V440-F448 HydrophobicContact CB-CB 4.43Å; V440-F448 PolarHBondContact N-O 3.37Å; V440-F448 PolarHBondContact O-N 3.25Å; I442-F448 HydrophobicContact CD1-CD2 4.38Å; I442-F448 HydrophobicContact CD1-CE2 4.25Å; H446-F448 HydrophobicContact CB-CD2 4.34Å; H446-F448 HydrophobicContact CB-CE2 3.48Å; H446-F448 VanDerWaalsContact CB-CE2 3.48Å; H446-F448 HydrophobicContact CB-CZ 3.96Å
449R90.1Very high77.1Confident72 Ų7249.2 Ų49.227%0.27225%0.247SC..EExtended strand (participates in β ladder)trans-98.5124.1161.7-173.2173.5-67.6130.13.7108.7L350 I352 L439 H451L350-R449 PolarHBondContact N-O 2.64Å; L350-R449 PolarHBondContact O-N 2.82Å; I352-R449 HydrophobicContact CD1-CB 4.43Å; I352-R449 HydrophobicContact CG2-CB 4.37Å; L439-R449 HydrophobicContact CD2-CB 4.1Å; L439-R449 HydrophobicContact CD2-CG 4.28Å; R449-H451 WeakPolarHBondContact CD-NE2 3.36Å
450F92.4Very high75.1Confident1 Ų147.5 Ų47.50%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-84.7137.7175174-95000110.5P347 Y348 L349 I368 A410 L434 R435 G437 C438 V440 E452P347-F450 HydrophobicContact CB-CE2 3.66Å; P347-F450 HydrophobicContact CB-CZ 3.64Å; Y348-F450 WeakPolarHBondContact O-CA 3.46Å; L349-F450 HydrophobicContact CD2-CB 3.98Å; L349-F450 HydrophobicContact CD2-CD2 4.02Å; I368-F450 HydrophobicContact CD1-CD2 3.8Å; I368-F450 HydrophobicContact CD1-CE2 3.54Å; A410-F450 HydrophobicContact CB-CE1 4.48Å; A410-F450 HydrophobicContact CB-CE2 3.61Å; A410-F450 HydrophobicContact CB-CZ 3.43Å; A410-F450 VanDerWaalsContact CB-CZ 3.43Å; L434-F450 HydrophobicContact CB-CD1 3.8Å; L434-F450 HydrophobicContact CB-CD2 4.1Å; L434-F450 HydrophobicContact CB-CE1 3.8Å; L434-F450 HydrophobicContact CB-CE2 4.1Å; L434-F450 HydrophobicContact CB-CG 3.94Å; L434-F450 HydrophobicContact CB-CZ 3.97Å; L434-F450 HydrophobicContact CD1-CD2 3.68Å; L434-F450 HydrophobicContact CD1-CE2 3.92Å; L434-F450 HydrophobicContact CD1-CG 4.15Å; R435-F450 WeakPolarHBondContact O-CD1 3.33Å; G437-F450 WeakPolarHBondContact CA-O 3.35Å; G437-F450 PolarHBondContact N-O 3.18Å; C438-F450 PolarHBondContact O-N 2.97Å; V440-F450 HydrophobicContact CG2-CB 4.41Å; F450-E452 HydrophobicContact CE1-CB 4.02Å
451H86.9Confident72.9Confident38 Ų3851.2 Ų51.218%0.17626%0.263CS..EExtended strand (participates in β ladder)trans-125.5128.5173.2-73.8-70.7000109.9P347 Y348 D436 R449 K453P347-H451 CarbonylContact C-O 3.51Å; P347-H451 WeakPolarHBondContact CA-O 3.48Å; P347-H451 VanDerWaalsContact CB-O 3.24Å; P347-H451 WeakPolarHBondContact CB-O 3.34Å; Y348-H451 HydrophobicContact CD1-CB 3.69Å; Y348-H451 HydrophobicContact CD2-CB 4.42Å; Y348-H451 HydrophobicContact CE1-CB 3.26Å; Y348-H451 AromaticContact CE1-CG 3.94Å; Y348-H451 HydrophobicContact CE2-CB 4.07Å; Y348-H451 AromaticContact CE2-CD2 3.55Å; Y348-H451 HydrophobicContact CG-CB 4.27Å; Y348-H451 VanDerWaalsContact CZ-CB 3.47Å; Y348-H451 AromaticContact CZ-CD2 3.48Å; Y348-H451 VanDerWaalsContact CZ-CD2 3.48Å; Y348-H451 AromaticContact CZ-CG 3.6Å; Y348-H451 PolarHBondContact N-O 3.16Å; Y348-H451 PolarHBondContact O-N 3.02Å; Y348-H451 PolarHBondContact OH-CD2 2.98Å; D436-H451 VanDerWaalsContact OD1-CA 3.24Å; D436-H451 WeakPolarHBondContact OD1-CA 3.47Å; D436-H451 IonicContact OD1-ND1 3.16Å; R449-H451 WeakPolarHBondContact CD-NE2 3.36Å; H451-K453 VanDerWaalsContact C-N 3.35Å
452E82.9Confident70.9Confident96 Ų9651.7 Ų51.745%0.44927%0.265SS..SBendtrans-76-24.5-172.2-170.3178.3167.500112.6D436 F450D436-E452 HydrophobicContact CB-CB 3.81Å; D436-E452 PolarHBondContact OD1-N 3.25Å; F450-E452 HydrophobicContact CE1-CB 4.02Å
453K72.3Confident69.5Low155 Ų15552.3 Ų52.367%0.67427%0.27SS*.SBendtrans-129.9143.8177.4-64.6179.1-178.8176.20109.9Y348 H451 G455Y348-K453 WeakPolarHBondContact CE1-O 3.42Å; H451-K453 VanDerWaalsContact C-N 3.35Å; K453-G455 PolarHBondContact O-N 3.43Å
454G59.6Low68.6Low22 Ų2253.3 Ų53.323%0.22728%0.278CS..  trans-58.112217000000110.8E344 L346E344-G454 VanDerWaalsContact O-CA 3.24Å; E344-G454 WeakPolarHBondContact O-CA 3.42Å; L346-G454 PolarHBondContact O-N 3.42Å
455G52.6Low68.2Low30 Ų3050.4 Ų50.431%0.30927%0.272SS..  trans-97.4-174176.400000112K453 L457 I458 S459K453-G455 PolarHBondContact O-N 3.43Å; G455-L457 PolarHBondContact O-N 2.91Å; G455-I458 PolarHBondContact O-N 2.58Å; G455-S459 PolarHBondContact O-N 2.83Å; G455-S459 VanDerWaalsContact O-N 3.15Å
456E47.4Very low68.1Low151 Ų15150.8 Ų50.871%0.70627%0.271SS*.Hα-helixtrans-48-33.6176.1-68.8-179.9174.200112.9S459 A460E456-S459 PolarHBondContact O-N 3.38Å; E456-A460 VanDerWaalsContact O-CB 3.24Å; E456-A460 WeakPolarHBondContact O-CB 3.36Å; E456-A460 PolarHBondContact O-N 3.21Å
457L45.6Very low67.9Low69 Ų6949.9 Ų49.936%0.36127%0.267SS..Hα-helixtrans-67.4-41.8-179.8-153.380.8000113.5L350 V365 G455 V461L350-L457 HydrophobicContact CD1-CD2 3.79Å; L350-L457 HydrophobicContact CD2-CD2 4.42Å; V365-L457 HydrophobicContact CG2-CD2 3.86Å; G455-L457 PolarHBondContact O-N 2.91Å; L457-V461 WeakPolarHBondContact O-CG2 3.37Å; L457-V461 PolarHBondContact O-N 3.27Å
458I43.1Very low67.9Low1 Ų148.5 Ų48.51%0.00526%0.259CS..Hα-helixtrans-68.6-45.5173.1-71.3-166.3000110Y348 V365 V367 G455 A460 V461 V462Y348-I458 HydrophobicContact CD1-CD1 3.12Å; Y348-I458 HydrophobicContact CD1-CG1 3.76Å; Y348-I458 HydrophobicContact CD2-CD1 4.27Å; Y348-I458 HydrophobicContact CD2-CG1 4.37Å; Y348-I458 HydrophobicContact CE1-CD1 3.74Å; Y348-I458 HydrophobicContact CE1-CG1 3.93Å; Y348-I458 HydrophobicContact CG-CD1 3.42Å; Y348-I458 VanDerWaalsContact CG-CD1 3.42Å; Y348-I458 HydrophobicContact CG-CG1 3.99Å; V365-I458 HydrophobicContact CG1-CG1 4.11Å; V367-I458 HydrophobicContact CG2-CD1 3.95Å; G455-I458 PolarHBondContact O-N 2.58Å; I458-A460 PolarHBondContact O-N 2.65Å; I458-V461 PolarHBondContact O-N 2.95Å; I458-V461 VanDerWaalsContact O-N 3.17Å; I458-V462 HydrophobicContact CG2-CG2 3.86Å; I458-V462 WeakPolarHBondContact O-CB 3.43Å; I458-V462 WeakPolarHBondContact O-CG2 3.39Å; I458-V462 PolarHBondContact O-N 3.47Å
459S46.1Very low67.8Low31 Ų3150 Ų5022%0.21727%0.268CS..Hα-helixtrans-56.1-40.9177.9-171.50000110.6G455 E456 A463G455-S459 PolarHBondContact O-N 2.83Å; G455-S459 VanDerWaalsContact O-N 3.15Å; E456-S459 PolarHBondContact O-N 3.38Å; S459-A463 WeakPolarHBondContact O-CB 3.2Å; S459-A463 PolarHBondContact O-N 3.32Å
460A49.4Very low67.6Low19 Ų1947.2 Ų47.216%0.15726%0.26CS..Hα-helixtrans-67.4-43.8175.700000113.7E456 I458 A464 F847E456-A460 VanDerWaalsContact O-CB 3.24Å; E456-A460 WeakPolarHBondContact O-CB 3.36Å; E456-A460 PolarHBondContact O-N 3.21Å; I458-A460 PolarHBondContact O-N 2.65Å; A460-A464 WeakPolarHBondContact O-CB 3.35Å; A460-A464 PolarHBondContact O-N 3.32Å; A460-F847 HydrophobicContact CB-CD1 3.65Å; A460-F847 HydrophobicContact CB-CE1 4.12Å; A460-F847 HydrophobicContact CB-CG 4.22Å; A460-F847 WeakPolarHBondContact O-CE1 3.37Å
461V50.6Low67.6Low78 Ų7847.2 Ų47.247%0.47326%0.26SS..Hα-helixtrans-69.1-46.4-179.7172.20000111.6L457 I458 A464 E465L457-V461 WeakPolarHBondContact O-CG2 3.37Å; L457-V461 PolarHBondContact O-N 3.27Å; I458-V461 PolarHBondContact O-N 2.95Å; I458-V461 VanDerWaalsContact O-N 3.17Å; V461-A464 WeakPolarHBondContact O-CB 3.44Å; V461-A464 PolarHBondContact O-N 3.23Å; V461-E465 PolarHBondContact O-N 3.41Å; V461-E465 VanDerWaalsContact O-N 3.16Å
462V52.3Low67.9Low36 Ų3645.5 Ų45.522%0.21825%0.252CS..Hα-helixtrans-64.4-44.1176.8176.40000110.1V343 I458 A464 E465 D466V343-V462 HydrophobicContact CG1-CG2 4.03Å; I458-V462 HydrophobicContact CG2-CG2 3.86Å; I458-V462 WeakPolarHBondContact O-CB 3.43Å; I458-V462 WeakPolarHBondContact O-CG2 3.39Å; I458-V462 PolarHBondContact O-N 3.47Å; V462-A464 VanDerWaalsContact C-N 3.28Å; V462-A464 PolarHBondContact O-N 3.46Å; V462-E465 PolarHBondContact O-N 3.5Å; V462-D466 PolarHBondContact O-N 3.19Å
463A63.1Low68.2Low13 Ų1346.1 Ų46.111%0.10725%0.25CS..Hα-helixtrans-62.2-33.9175.900000113S459 L467 F847S459-A463 WeakPolarHBondContact O-CB 3.2Å; S459-A463 PolarHBondContact O-N 3.32Å; A463-L467 WeakPolarHBondContact O-CB 3.44Å; A463-L467 PolarHBondContact O-N 3.11Å; A463-F847 HydrophobicContact CB-CD2 4.27Å; A463-F847 HydrophobicContact CB-CE2 4.16Å
464A71.2Confident69Low21 Ų2143.1 Ų43.117%0.17425%0.249CC..Hα-helixtrans-65.3-44.5174.900000111.6A460 V461 V462 L468 L509 F847A460-A464 WeakPolarHBondContact O-CB 3.35Å; A460-A464 PolarHBondContact O-N 3.32Å; V461-A464 WeakPolarHBondContact O-CB 3.44Å; V461-A464 PolarHBondContact O-N 3.23Å; V462-A464 VanDerWaalsContact C-N 3.28Å; V462-A464 PolarHBondContact O-N 3.46Å; A464-L468 WeakPolarHBondContact O-CB 3.4Å; A464-L468 VanDerWaalsContact O-CG 3.27Å; A464-L468 WeakPolarHBondContact O-CG 3.23Å; A464-L468 PolarHBondContact O-N 3.18Å; A464-L509 HydrophobicContact CB-CD1 4.35Å; A464-F847 HydrophobicContact CB-CE1 4.25Å; A464-F847 HydrophobicContact CB-CE2 4.5Å; A464-F847 HydrophobicContact CB-CZ 3.62Å
465E75.6Confident70.5Confident98 Ų9842.5 Ų42.546%0.45824%0.241SC..Hα-helixtrans-68.8-43.3179.9-174.4167.4-172.700111.9V461 V462 L467 L468 N469V461-E465 PolarHBondContact O-N 3.41Å; V461-E465 VanDerWaalsContact O-N 3.16Å; V462-E465 PolarHBondContact O-N 3.5Å; E465-L467 VanDerWaalsContact C-N 3.34Å; E465-L467 PolarHBondContact O-N 2.83Å; E465-L468 PolarHBondContact O-N 3.38Å; E465-N469 WeakPolarHBondContact O-CB 3.2Å; E465-N469 PolarHBondContact O-N 2.99Å; E465-N469 PolarHBondContact O-ND2 3.35Å; E465-N469 VanDerWaalsContact O-ND2 3.11Å
466D79.6Confident72.2Confident80 Ų8043.5 Ų43.543%0.42824%0.239SC..Hα-helixtrans-61.3-43.2175.8-70.7-23.1000111.6V462 N469 A470 V804V462-D466 PolarHBondContact O-N 3.19Å; D466-N469 PolarHBondContact O-N 3.5Å; D466-A470 WeakPolarHBondContact O-CB 3.27Å; D466-A470 PolarHBondContact O-N 3.46Å; D466-V804 HydrophobicContact CB-CG1 4.04Å
467L83.6Confident74.2Confident1 Ų136.7 Ų36.71%0.00521%0.208CC..Hα-helixtrans-59.1-52.5173174.379000111.2A463 E465 N469 A470 V471 L509 V804 L843 F845A463-L467 WeakPolarHBondContact O-CB 3.44Å; A463-L467 PolarHBondContact O-N 3.11Å; E465-L467 VanDerWaalsContact C-N 3.34Å; E465-L467 PolarHBondContact O-N 2.83Å; L467-N469 VanDerWaalsContact C-N 3.27Å; L467-N469 PolarHBondContact O-N 2.98Å; L467-A470 PolarHBondContact O-N 3.47Å; L467-V471 HydrophobicContact CD1-CG2 3.85Å; L467-V471 HydrophobicContact CG-CG2 4.19Å; L467-V471 VanDerWaalsContact O-CB 3.29Å; L467-V471 WeakPolarHBondContact O-CB 3.46Å; L467-V471 VanDerWaalsContact O-CG2 3.24Å; L467-V471 WeakPolarHBondContact O-CG2 3.43Å; L467-V471 PolarHBondContact O-N 2.78Å; L467-L509 HydrophobicContact CD2-CD1 4.42Å; L467-V804 HydrophobicContact CD1-CG2 4.45Å; L467-L843 HydrophobicContact CD1-CD2 4.42Å; L467-F845 HydrophobicContact CD1-CE1 4.11Å; L467-F845 HydrophobicContact CD2-CD1 4.08Å; L467-F845 HydrophobicContact CD2-CE1 3.32Å; L467-F845 HydrophobicContact CD2-CZ 4.01Å; L467-F845 HydrophobicContact CG-CE1 4.31Å
468L90.2Very high76.2Confident2 Ų238.1 Ų38.11%0.0122%0.22CC..Hα-helixtrans-64.6-34.8-177.9-69.6180000111.4A464 E465 V471 I472 L490 L509 K512 A513 M516A464-L468 WeakPolarHBondContact O-CB 3.4Å; A464-L468 VanDerWaalsContact O-CG 3.27Å; A464-L468 WeakPolarHBondContact O-CG 3.23Å; A464-L468 PolarHBondContact O-N 3.18Å; E465-L468 PolarHBondContact O-N 3.38Å; L468-V471 PolarHBondContact O-N 3.32Å; L468-I472 HydrophobicContact CB-CD1 4.5Å; L468-I472 HydrophobicContact CD2-CD1 3.98Å; L468-I472 WeakPolarHBondContact O-CA 3.09Å; L468-I472 WeakPolarHBondContact O-CB 3.11Å; L468-I472 PolarHBondContact O-N 3.36Å; L468-L490 HydrophobicContact CD2-CD2 3.82Å; L468-L509 HydrophobicContact CD1-CD1 4.04Å; L468-L509 HydrophobicContact CD2-CD1 3.9Å; L468-L509 HydrophobicContact CD2-CG 4.48Å; L468-L509 HydrophobicContact CG-CD1 3.94Å; L468-K512 HydrophobicContact CD1-CB 3.69Å; L468-K512 HydrophobicContact CD1-CG 3.53Å; L468-A513 HydrophobicContact CD2-CB 3.78Å; L468-M516 VanDerWaalsContact C-CE 3.44Å; L468-M516 HydrophobicContact CB-CE 3.73Å; L468-M516 HydrophobicContact CB-SD 3.53Å; L468-M516 VanDerWaalsContact CB-SD 3.53Å; L468-M516 HydrophobicContact CD1-SD 3.96Å; L468-M516 HydrophobicContact CG-SD 4.39Å; L468-M516 WeakPolarHBondContact O-CE 3.19Å
469N88.5Confident78.3Confident37 Ų3746 Ų4620%0.19825%0.254CS..Iπ-helixtrans-62.8-46.7172.8-77.3-42.8000110.7E465 D466 L467 V471 R473 S474 M516E465-N469 WeakPolarHBondContact O-CB 3.2Å; E465-N469 PolarHBondContact O-N 2.99Å; E465-N469 PolarHBondContact O-ND2 3.35Å; E465-N469 VanDerWaalsContact O-ND2 3.11Å; D466-N469 PolarHBondContact O-N 3.5Å; L467-N469 VanDerWaalsContact C-N 3.27Å; L467-N469 PolarHBondContact O-N 2.98Å; N469-V471 PolarHBondContact O-N 2.77Å; N469-R473 PolarHBondContact O-N 2.78Å; N469-R473 WeakPolarHBondContact OD1-CD 3.39Å; N469-R473 PolarHBondContact OD1-NH1 2.85Å; N469-R473 VanDerWaalsContact OD1-NH1 3.12Å; N469-S474 PolarHBondContact O-N 3.49Å; N469-S474 PolarHBondContact O-OG 3.06Å; N469-M516 HydrophobicContact CB-CE 4.48Å; N469-M516 VanDerWaalsContact OD1-CE 3.24Å; N469-M516 WeakPolarHBondContact OD1-CE 3.48Å
470A87.1Confident80.5Confident13 Ų1345.7 Ų45.711%0.10725%0.249CC..Iπ-helixtrans-65.2-37.4177.600000113.4D466 L467 V475 Y795 L799 V804D466-A470 WeakPolarHBondContact O-CB 3.27Å; D466-A470 PolarHBondContact O-N 3.46Å; L467-A470 PolarHBondContact O-N 3.47Å; A470-V475 WeakPolarHBondContact O-CG2 3.47Å; A470-Y795 PolarHBondContact O-OH 3.22Å; A470-L799 HydrophobicContact CB-CD2 3.78Å; A470-V804 HydrophobicContact CB-CG2 4.33Å
471V92Very high82.5Confident1 Ų147.7 Ų47.71%0.00627%0.272CS..Iπ-helixtrans-87.3-20.2-174.6176.60000113.2L467 L468 N469 V475 S486 T489 L490 Y795 L799L467-V471 HydrophobicContact CD1-CG2 3.85Å; L467-V471 HydrophobicContact CG-CG2 4.19Å; L467-V471 VanDerWaalsContact O-CB 3.29Å; L467-V471 WeakPolarHBondContact O-CB 3.46Å; L467-V471 VanDerWaalsContact O-CG2 3.24Å; L467-V471 WeakPolarHBondContact O-CG2 3.43Å; L467-V471 PolarHBondContact O-N 2.78Å; L468-V471 PolarHBondContact O-N 3.32Å; N469-V471 PolarHBondContact O-N 2.77Å; V471-V475 VanDerWaalsContact C-CG2 3.48Å; V471-V475 WeakPolarHBondContact O-CG2 3.27Å; V471-S486 WeakPolarHBondContact O-CB 3.35Å; V471-S486 PolarHBondContact O-OG 2.93Å; V471-T489 HydrophobicContact CG1-CG2 4.25Å; V471-T489 HydrophobicContact CG2-CG2 3.8Å; V471-L490 HydrophobicContact CG1-CD2 4.47Å; V471-L490 HydrophobicContact CG1-CG 4.25Å; V471-Y795 WeakPolarHBondContact CA-OH 3.29Å; V471-L799 HydrophobicContact CG2-CD1 4.08Å; V471-L799 HydrophobicContact CG2-CD2 4.3Å
472I94.1Very high84.5Confident1 Ų145.1 Ų45.11%0.00526%0.255CS..Iπ-helixtrans-121-62-176.9-54.8175.3000111.7L468 A513 M516 M517 W534L468-I472 HydrophobicContact CB-CD1 4.5Å; L468-I472 HydrophobicContact CD2-CD1 3.98Å; L468-I472 WeakPolarHBondContact O-CA 3.09Å; L468-I472 WeakPolarHBondContact O-CB 3.11Å; L468-I472 PolarHBondContact O-N 3.36Å; I472-A513 HydrophobicContact CD1-CB 3.81Å; I472-A513 WeakPolarHBondContact CD1-O 3.44Å; I472-M516 HydrophobicContact CB-CB 4.47Å; I472-M516 HydrophobicContact CD1-CB 3.99Å; I472-M516 HydrophobicContact CG2-CB 4.01Å; I472-M517 HydrophobicContact CD1-CE 4.44Å; I472-M517 HydrophobicContact CD1-CG 4.27Å; I472-M517 HydrophobicContact CG2-CG 4.28Å; I472-W534 HydrophobicContact CB-CH2 3.88Å; I472-W534 HydrophobicContact CB-CZ2 4.15Å; I472-W534 HydrophobicContact CG1-CH2 3.9Å; I472-W534 HydrophobicContact CG2-CH2 3.62Å; I472-W534 HydrophobicContact CG2-CZ2 3.7Å; I472-W534 HydrophobicContact CG2-CZ3 4.31Å; I472-W534 WeakPolarHBondContact O-CZ2 3.5Å
473R89.2Confident86.6Confident109 Ų10945.7 Ų45.741%0.41125%0.254SS..Iπ-helixtrans-76.9-36.9-170.8-71.3-171.2179.5152-10.5114.1N469 M516N469-R473 PolarHBondContact O-N 2.78Å; N469-R473 WeakPolarHBondContact OD1-CD 3.39Å; N469-R473 PolarHBondContact OD1-NH1 2.85Å; N469-R473 VanDerWaalsContact OD1-NH1 3.12Å; R473-M516 HydrophobicContact CG-CE 3.92Å
474S88Confident88.2Confident93 Ų9345.3 Ų45.365%0.6525%0.25SS*.THydrogen-bonded Turntrans-949.1-172.4-56.10000114N469N469-S474 PolarHBondContact O-N 3.49Å; N469-S474 PolarHBondContact O-OG 3.06Å
475V90.3Very high89.2Confident8 Ų844.3 Ų44.35%0.04824%0.242CC..  trans-74.2131.7-178.2176.60000111A470 V471 L480 M530 Y533A470-V475 WeakPolarHBondContact O-CG2 3.47Å; V471-V475 VanDerWaalsContact C-CG2 3.48Å; V471-V475 WeakPolarHBondContact O-CG2 3.27Å; V475-L480 HydrophobicContact CG1-CD1 3.59Å; V475-L480 HydrophobicContact CG1-CG 4.48Å; V475-M530 WeakPolarHBondContact O-CE 3.29Å; V475-Y533 HydrophobicContact CG1-CE1 3.8Å; V475-Y533 HydrophobicContact CG1-CE2 4.25Å
476D88.3Confident90.2Very high52 Ų5239.6 Ų39.628%0.27822%0.22SC..  trans-110.1102.5167.5-178.9-9.9000109.5T478 K479D476-T478 VanDerWaalsContact CG-OG1 3.32Å; D476-T478 PolarHBondContact O-N 3.22Å; D476-T478 WeakPolarHBondContact OD1-CB 3.48Å; D476-T478 PolarHBondContact OD1-N 3.41Å; D476-T478 PolarHBondContact OD1-OG1 3.09Å; D476-T478 PolarHBondContact OD2-OG1 3.14Å; D476-K479 HydrophobicContact CB-CD 4.26Å; D476-K479 HydrophobicContact CB-CG 4.48Å; D476-K479 PolarHBondContact O-N 3.07Å; D476-K479 VanDerWaalsContact O-N 3.13Å; D476-K479 VanDerWaalsContact OD2-CD 3.24Å; D476-K479 WeakPolarHBondContact OD2-CD 3.27Å; D476-K479 WeakPolarHBondContact OD2-CE 3.46Å; D476-K479 IonicContact OD2-NZ 3.59Å; D476-K479 PolarHBondContact OD2-NZ 3.37Å; D476-K479 VanDerWaalsContact OD2-NZ 3.14Å
477P90.8Very high91Very high7 Ų735.8 Ų35.85%0.04520%0.2CC..THydrogen-bonded Turntrans-56.3-25.7-178.6-27.335.5000113.5K483 M530 Y533P477-K483 WeakPolarHBondContact O-CE 3.41Å; P477-K483 PolarHBondContact O-NZ 3.22Å; P477-M530 WeakPolarHBondContact CD-SD 3.36Å; P477-M530 HydrophobicContact CG-CE 4.39Å; P477-M530 HydrophobicContact CG-SD 3.51Å; P477-M530 VanDerWaalsContact CG-SD 3.51Å; P477-Y533 HydrophobicContact CB-CD2 3.71Å; P477-Y533 HydrophobicContact CB-CE2 4.45Å; P477-Y533 HydrophobicContact CB-CG 3.95Å; P477-Y533 HydrophobicContact CG-CD1 4.12Å; P477-Y533 HydrophobicContact CG-CD2 3.8Å; P477-Y533 HydrophobicContact CG-CG 3.57Å
478T87Confident91.5Very high99 Ų9935.8 Ų35.861%0.60720%0.2SC*.THydrogen-bonded Turntrans-72.7-29.5-177690000112.7D476D476-T478 VanDerWaalsContact CG-OG1 3.32Å; D476-T478 PolarHBondContact O-N 3.22Å; D476-T478 WeakPolarHBondContact OD1-CB 3.48Å; D476-T478 PolarHBondContact OD1-N 3.41Å; D476-T478 PolarHBondContact OD1-OG1 3.09Å; D476-T478 PolarHBondContact OD2-OG1 3.14Å
479K88.1Confident91.6Very high168 Ų16835.7 Ų35.773%0.7320%0.199SC*.THydrogen-bonded Turntrans-91.3-13.2-176.7-66.5176.1-174.2153.70114.1D476D476-K479 HydrophobicContact CB-CD 4.26Å; D476-K479 HydrophobicContact CB-CG 4.48Å; D476-K479 PolarHBondContact O-N 3.07Å; D476-K479 VanDerWaalsContact O-N 3.13Å; D476-K479 VanDerWaalsContact OD2-CD 3.24Å; D476-K479 WeakPolarHBondContact OD2-CD 3.27Å; D476-K479 WeakPolarHBondContact OD2-CE 3.46Å; D476-K479 IonicContact OD2-NZ 3.59Å; D476-K479 PolarHBondContact OD2-NZ 3.37Å; D476-K479 VanDerWaalsContact OD2-NZ 3.14Å
480L92.1Very high91.8Very high23 Ų2334 Ų3412%0.1219%0.19CC..  trans-76.5126.4-177.7-68.4178.3000112.5V475 F482 K483 A485 Y533 Y795V475-L480 HydrophobicContact CG1-CD1 3.59Å; V475-L480 HydrophobicContact CG1-CG 4.48Å; L480-F482 VanDerWaalsContact C-N 3.25Å; L480-F482 PolarHBondContact O-N 3.46Å; L480-K483 HydrophobicContact CB-CD 4.3Å; L480-K483 WeakPolarHBondContact O-CE 3.38Å; L480-K483 PolarHBondContact O-NZ 2.86Å; L480-A485 HydrophobicContact CD1-CB 4.42Å; L480-Y533 HydrophobicContact CD1-CE2 3.61Å; L480-Y795 HydrophobicContact CD2-CD2 3.33Å; L480-Y795 HydrophobicContact CD2-CE2 3.69Å; L480-Y795 HydrophobicContact CD2-CG 4.23Å
481G89.9Confident92.1Very high62 Ų6233.9 Ų33.964%0.63919%0.187SC*.SBendtrans-70.1-21.7168.800000113.3
482F93.8Very high91.8Very high24 Ų2433.9 Ų33.911%0.10519%0.187CC..SBendtrans-128.8111.5177-177-109.9000110.7L480 L484 A485 Y488 M785 P789 G791 L792L480-F482 VanDerWaalsContact C-N 3.25Å; L480-F482 PolarHBondContact O-N 3.46Å; F482-L484 VanDerWaalsContact C-N 3.3Å; F482-L484 VanDerWaalsContact CE1-C 3.46Å; F482-L484 HydrophobicContact CE1-CB 3.8Å; F482-L484 HydrophobicContact CZ-CB 3.86Å; F482-L484 PolarHBondContact O-N 3.32Å; F482-A485 HydrophobicContact CD1-CB 4.03Å; F482-A485 WeakPolarHBondContact O-CB 3.35Å; F482-A485 PolarHBondContact O-N 3.21Å; F482-Y488 AromaticContact CE1-CD2 3.77Å; F482-Y488 HydrophobicContact CE1-CD2 3.77Å; F482-Y488 HydrophobicContact CE1-CE2 4.23Å; F482-Y488 AromaticContact CE1-CG 3.95Å; F482-Y488 HydrophobicContact CE1-CG 3.95Å; F482-Y488 AromaticContact CZ-CD2 3.88Å; F482-Y488 HydrophobicContact CZ-CD2 3.88Å; F482-Y488 AromaticContact CZ-CE2 3.85Å; F482-Y488 HydrophobicContact CZ-CE2 3.85Å; F482-Y488 HydrophobicContact CZ-CG 4.24Å; F482-M785 HydrophobicContact CE2-CE 3.53Å; F482-M785 HydrophobicContact CE2-SD 4.06Å; F482-M785 HydrophobicContact CZ-CE 3.63Å; F482-M785 HydrophobicContact CZ-SD 3.97Å; F482-P789 HydrophobicContact CD2-CB 3.98Å; F482-P789 HydrophobicContact CD2-CG 4.06Å; F482-P789 HydrophobicContact CE2-CB 4.2Å; F482-P789 HydrophobicContact CE2-CG 3.76Å; F482-P789 HydrophobicContact CZ-CG 4.25Å; F482-G791 VanDerWaalsContact CB-C 3.45Å; F482-L792 HydrophobicContact CB-CB 4.33Å; F482-L792 HydrophobicContact CD1-CB 3.74Å; F482-L792 HydrophobicContact CD1-CD1 3.93Å; F482-L792 HydrophobicContact CD1-CD2 4.48Å; F482-L792 HydrophobicContact CD1-CG 4.25Å; F482-L792 HydrophobicContact CE1-CB 4.21Å; F482-L792 HydrophobicContact CE1-CD1 4.18Å; F482-L792 HydrophobicContact CE1-CD2 4.16Å; F482-L792 HydrophobicContact CE1-CG 4.42Å; F482-L792 HydrophobicContact CG-CB 4.05Å
483K95.3Very high91.4Very high48 Ų4833.8 Ų33.821%0.20919%0.187CC..THydrogen-bonded Turntrans-76.2-10.5-171-58.2-44.8-172.9-169.40115.2P477 L480 Y533 N537 L616 R618P477-K483 WeakPolarHBondContact O-CE 3.41Å; P477-K483 PolarHBondContact O-NZ 3.22Å; L480-K483 HydrophobicContact CB-CD 4.3Å; L480-K483 WeakPolarHBondContact O-CE 3.38Å; L480-K483 PolarHBondContact O-NZ 2.86Å; K483-Y533 WeakPolarHBondContact O-CD2 3.38Å; K483-Y533 WeakPolarHBondContact O-CE2 3.41Å; K483-N537 PolarHBondContact O-ND2 3.48Å; K483-L616 WeakPolarHBondContact CG-O 3.33Å; K483-R618 HydrophobicContact CB-CG 4.38Å
484L96.6Very high91.4Very high4 Ų428.7 Ų28.72%0.02117%0.167CC..THydrogen-bonded Turntrans-103.721.8176.9-61.3174.5000112F482 S486 A487 Y488 N537 R618 S781F482-L484 VanDerWaalsContact C-N 3.3Å; F482-L484 VanDerWaalsContact CE1-C 3.46Å; F482-L484 HydrophobicContact CE1-CB 3.8Å; F482-L484 HydrophobicContact CZ-CB 3.86Å; F482-L484 PolarHBondContact O-N 3.32Å; L484-S486 VanDerWaalsContact C-N 3.33Å; L484-S486 PolarHBondContact O-N 3.05Å; L484-A487 PolarHBondContact O-N 2.93Å; L484-Y488 HydrophobicContact CB-CD2 3.92Å; L484-Y488 HydrophobicContact CB-CE2 4Å; L484-Y488 HydrophobicContact CD1-CE2 4.34Å; L484-Y488 VanDerWaalsContact O-CD2 3.29Å; L484-Y488 WeakPolarHBondContact O-CD2 3.49Å; L484-Y488 PolarHBondContact O-N 3.19Å; L484-Y488 VanDerWaalsContact O-N 3.15Å; L484-N537 VanDerWaalsContact CA-OD1 3.3Å; L484-N537 WeakPolarHBondContact CA-OD1 3.26Å; L484-N537 PolarHBondContact O-OD1 2.88Å; L484-R618 HydrophobicContact CD1-CB 4.03Å; L484-R618 HydrophobicContact CD2-CB 4.25Å; L484-R618 HydrophobicContact CG-CB 4.05Å; L484-S781 WeakPolarHBondContact CD1-OG 3.36Å
485A93.6Very high91.2Very high0 Ų024.9 Ų24.90%014%0.139CC..Hα-helixtrans-59.9-40.5-172.600000113.1L480 F482 T489 L792 Y795L480-A485 HydrophobicContact CD1-CB 4.42Å; F482-A485 HydrophobicContact CD1-CB 4.03Å; F482-A485 WeakPolarHBondContact O-CB 3.35Å; F482-A485 PolarHBondContact O-N 3.21Å; A485-T489 VanDerWaalsContact O-CB 3.25Å; A485-T489 WeakPolarHBondContact O-CB 3.42Å; A485-T489 PolarHBondContact O-N 2.9Å; A485-T489 PolarHBondContact O-OG1 2.94Å; A485-L792 HydrophobicContact CB-CD1 4.29Å; A485-Y795 HydrophobicContact CB-CD1 3.59Å; A485-Y795 HydrophobicContact CB-CD2 4.35Å; A485-Y795 HydrophobicContact CB-CE1 3.82Å; A485-Y795 HydrophobicContact CB-CG 3.84Å
486S96.1Very high90.7Very high0 Ų024.9 Ų24.90%014%0.138CC..Hα-helixtrans-63.9-45.3178.9-58.50000111.6V471 L484 T489 L490 Y533 N537V471-S486 WeakPolarHBondContact O-CB 3.35Å; V471-S486 PolarHBondContact O-OG 2.93Å; L484-S486 VanDerWaalsContact C-N 3.33Å; L484-S486 PolarHBondContact O-N 3.05Å; S486-T489 PolarHBondContact O-N 3.13Å; S486-L490 WeakPolarHBondContact O-CB 3.43Å; S486-L490 VanDerWaalsContact O-CG 3.29Å; S486-L490 WeakPolarHBondContact O-CG 3.17Å; S486-L490 PolarHBondContact O-N 3.3Å; S486-Y533 PolarHBondContact N-OH 3.49Å; S486-Y533 PolarHBondContact OG-OH 2.78Å; S486-N537 WeakPolarHBondContact CB-OD1 3.09Å; S486-N537 PolarHBondContact N-OD1 3.42Å
487A96.5Very high90.5Very high0 Ų022.6 Ų22.60%013%0.126CC..Hα-helixtrans-61.7-48.4-179.800000112.6L484 T489 L490 Y491 N537 E540 T541L484-A487 PolarHBondContact O-N 2.93Å; A487-T489 VanDerWaalsContact C-N 3.33Å; A487-T489 PolarHBondContact O-N 3.24Å; A487-L490 PolarHBondContact O-N 3.49Å; A487-Y491 WeakPolarHBondContact O-CB 3.28Å; A487-Y491 PolarHBondContact O-N 2.86Å; A487-N537 HydrophobicContact CB-CB 4.32Å; A487-N537 WeakPolarHBondContact CB-O 3.44Å; A487-N537 PolarHBondContact N-OD1 2.94Å; A487-E540 HydrophobicContact CB-CB 3.89Å; A487-E540 HydrophobicContact CB-CG 4.07Å; A487-T541 VanDerWaalsContact CA-OG1 3.28Å; A487-T541 WeakPolarHBondContact CA-OG1 3.37Å; A487-T541 WeakPolarHBondContact CB-OG1 3.44Å
488Y93.8Very high90Very high0 Ų022.7 Ų22.70%013%0.126CC..Hα-helixtrans-66.8-37179.4-83-108.3000111.9F482 L484 Y491 M492 E540 F544 S781 S782 M785 L792 W817F482-Y488 AromaticContact CE1-CD2 3.77Å; F482-Y488 HydrophobicContact CE1-CD2 3.77Å; F482-Y488 HydrophobicContact CE1-CE2 4.23Å; F482-Y488 AromaticContact CE1-CG 3.95Å; F482-Y488 HydrophobicContact CE1-CG 3.95Å; F482-Y488 AromaticContact CZ-CD2 3.88Å; F482-Y488 HydrophobicContact CZ-CD2 3.88Å; F482-Y488 AromaticContact CZ-CE2 3.85Å; F482-Y488 HydrophobicContact CZ-CE2 3.85Å; F482-Y488 HydrophobicContact CZ-CG 4.24Å; L484-Y488 HydrophobicContact CB-CD2 3.92Å; L484-Y488 HydrophobicContact CB-CE2 4Å; L484-Y488 HydrophobicContact CD1-CE2 4.34Å; L484-Y488 VanDerWaalsContact O-CD2 3.29Å; L484-Y488 WeakPolarHBondContact O-CD2 3.49Å; L484-Y488 PolarHBondContact O-N 3.19Å; L484-Y488 VanDerWaalsContact O-N 3.15Å; Y488-Y491 PolarHBondContact O-N 2.84Å; Y488-M492 WeakPolarHBondContact O-CE 3.09Å; Y488-M492 WeakPolarHBondContact O-CG 3.42Å; Y488-M492 PolarHBondContact O-N 3.43Å; Y488-E540 HydrophobicContact CE2-CG 4.15Å; Y488-F544 HydrophobicContact CD1-CE2 4.48Å; Y488-F544 HydrophobicContact CD1-CZ 4.12Å; Y488-F544 AromaticContact CD2-CE2 3.86Å; Y488-F544 HydrophobicContact CD2-CE2 3.86Å; Y488-F544 HydrophobicContact CD2-CZ 4.15Å; Y488-F544 HydrophobicContact CE1-CE2 4.5Å; Y488-F544 AromaticContact CE1-CZ 3.84Å; Y488-F544 HydrophobicContact CE1-CZ 3.84Å; Y488-F544 AromaticContact CE2-CE2 3.87Å; Y488-F544 HydrophobicContact CE2-CE2 3.87Å; Y488-F544 AromaticContact CE2-CZ 3.88Å; Y488-F544 HydrophobicContact CE2-CZ 3.88Å; Y488-F544 HydrophobicContact CG-CE2 4.19Å; Y488-F544 HydrophobicContact CG-CZ 4.28Å; Y488-F544 AromaticContact CZ-CZ 3.72Å; Y488-S781 WeakPolarHBondContact CE2-OG 3.23Å; Y488-S781 PolarHBondContact OH-OG 2.97Å; Y488-S782 PolarHBondContact OH-N 3.37Å; Y488-M785 HydrophobicContact CE1-CE 4.41Å; Y488-M785 HydrophobicContact CE1-SD 3.73Å; Y488-M785 HydrophobicContact CE2-CE 4.38Å; Y488-M785 VanDerWaalsContact OH-CE 3.26Å; Y488-M785 WeakPolarHBondContact OH-CE 3.44Å; Y488-M785 PolarHBondContact OH-SD 3.28Å; Y488-L792 HydrophobicContact CD1-CD2 4.05Å; Y488-L792 HydrophobicContact CG-CD2 4.23Å; Y488-W817 AromaticContact CD1-CD2 3.77Å; Y488-W817 HydrophobicContact CD1-CD2 3.77Å; Y488-W817 AromaticContact CD1-CE2 3.69Å; Y488-W817 AromaticContact CD1-CE3 3.79Å; Y488-W817 HydrophobicContact CD1-CE3 3.79Å; Y488-W817 AromaticContact CD1-CH2 3.69Å; Y488-W817 HydrophobicContact CD1-CH2 3.69Å; Y488-W817 AromaticContact CD1-CZ2 3.65Å; Y488-W817 HydrophobicContact CD1-CZ2 3.65Å; Y488-W817 AromaticContact CD1-CZ3 3.76Å; Y488-W817 HydrophobicContact CD1-CZ3 3.76Å; Y488-W817 AromaticContact CE1-CD1 3.97Å; Y488-W817 AromaticContact CE1-CD2 3.49Å; Y488-W817 HydrophobicContact CE1-CD2 3.49Å; Y488-W817 VanDerWaalsContact CE1-CD2 3.49Å; Y488-W817 AromaticContact CE1-CE2 3.52Å; Y488-W817 AromaticContact CE1-CE3 3.93Å; Y488-W817 HydrophobicContact CE1-CE3 3.93Å; Y488-W817 AromaticContact CE1-CG 3.8Å; Y488-W817 HydrophobicContact CE1-CG 3.8Å; Y488-W817 HydrophobicContact CE1-CH2 4.37Å; Y488-W817 AromaticContact CE1-CZ2 3.97Å; Y488-W817 HydrophobicContact CE1-CZ2 3.97Å; Y488-W817 HydrophobicContact CE1-CZ3 4.35Å; Y488-W817 AromaticContact CE1-NE1 3.8Å
489T91.5Very high89.6Confident0 Ų020.3 Ų20.30%011%0.114CC..Hα-helixtrans-61.6-53.4174.7-57.70000109.8V471 A485 S486 A487 Y491 M492 C493 L799 L843V471-T489 HydrophobicContact CG1-CG2 4.25Å; V471-T489 HydrophobicContact CG2-CG2 3.8Å; A485-T489 VanDerWaalsContact O-CB 3.25Å; A485-T489 WeakPolarHBondContact O-CB 3.42Å; A485-T489 PolarHBondContact O-N 2.9Å; A485-T489 PolarHBondContact O-OG1 2.94Å; S486-T489 PolarHBondContact O-N 3.13Å; A487-T489 VanDerWaalsContact C-N 3.33Å; A487-T489 PolarHBondContact O-N 3.24Å; T489-Y491 VanDerWaalsContact C-N 3.27Å; T489-Y491 PolarHBondContact O-N 3.34Å; T489-M492 PolarHBondContact O-N 3.26Å; T489-M492 VanDerWaalsContact O-N 3.13Å; T489-C493 WeakPolarHBondContact O-CB 3.14Å; T489-C493 PolarHBondContact O-N 2.78Å; T489-C493 PolarHBondContact O-SG 3.03Å; T489-L799 HydrophobicContact CG2-CD1 4.14Å; T489-L843 HydrophobicContact CG2-CD2 4.25Å
490L93.2Very high89Confident1 Ų118.1 Ų18.11%0.00510%0.101CC..Hα-helixtrans-59.6-34.8178.3-68.9172.6000113.3L468 V471 S486 A487 C493 S494 A513 M517 T541L468-L490 HydrophobicContact CD2-CD2 3.82Å; V471-L490 HydrophobicContact CG1-CD2 4.47Å; V471-L490 HydrophobicContact CG1-CG 4.25Å; S486-L490 WeakPolarHBondContact O-CB 3.43Å; S486-L490 VanDerWaalsContact O-CG 3.29Å; S486-L490 WeakPolarHBondContact O-CG 3.17Å; S486-L490 PolarHBondContact O-N 3.3Å; A487-L490 PolarHBondContact O-N 3.49Å; L490-C493 WeakPolarHBondContact O-CB 3.32Å; L490-C493 PolarHBondContact O-N 3.34Å; L490-S494 WeakPolarHBondContact O-CB 3.37Å; L490-S494 PolarHBondContact O-N 3.47Å; L490-S494 PolarHBondContact O-OG 2.89Å; L490-A513 HydrophobicContact CD1-CB 4.38Å; L490-A513 HydrophobicContact CD2-CB 4.09Å; L490-M517 HydrophobicContact CD1-CE 3.2Å; L490-T541 HydrophobicContact CB-CG2 4.33Å; L490-T541 HydrophobicContact CD1-CG2 4.2Å
491Y93.1Very high88.3Confident11 Ų1125 Ų254%0.04313%0.133CC..Hα-helixtrans-67.2-47.2173.7177.4-125.9000112.2A487 Y488 T489 C493 S494 R495 F544 D548 W817A487-Y491 WeakPolarHBondContact O-CB 3.28Å; A487-Y491 PolarHBondContact O-N 2.86Å; Y488-Y491 PolarHBondContact O-N 2.84Å; T489-Y491 VanDerWaalsContact C-N 3.27Å; T489-Y491 PolarHBondContact O-N 3.34Å; Y491-C493 VanDerWaalsContact C-N 3.26Å; Y491-C493 PolarHBondContact O-N 3.46Å; Y491-S494 WeakPolarHBondContact O-CB 3.46Å; Y491-S494 PolarHBondContact O-N 3.29Å; Y491-S494 VanDerWaalsContact O-N 3.07Å; Y491-R495 HydrophobicContact CD2-CG 4.22Å; Y491-R495 HydrophobicContact CE1-CG 4.31Å; Y491-R495 HydrophobicContact CE2-CG 3.79Å; Y491-R495 PolarHBondContact O-N 3.3Å; Y491-F544 AromaticContact CD1-CD1 3.44Å; Y491-F544 HydrophobicContact CD1-CD1 3.44Å; Y491-F544 VanDerWaalsContact CD1-CD1 3.44Å; Y491-F544 HydrophobicContact CD1-CD2 4.36Å; Y491-F544 AromaticContact CD1-CE1 3.47Å; Y491-F544 HydrophobicContact CD1-CE1 3.47Å; Y491-F544 VanDerWaalsContact CD1-CE1 3.47Å; Y491-F544 HydrophobicContact CD1-CE2 4.37Å; Y491-F544 AromaticContact CD1-CG 3.93Å; Y491-F544 HydrophobicContact CD1-CG 3.93Å; Y491-F544 AromaticContact CD1-CZ 3.97Å; Y491-F544 HydrophobicContact CD1-CZ 3.97Å; Y491-F544 HydrophobicContact CD2-CB 3.61Å; Y491-F544 AromaticContact CD2-CD1 3.77Å; Y491-F544 HydrophobicContact CD2-CD1 3.77Å; Y491-F544 AromaticContact CD2-CG 3.79Å; Y491-F544 HydrophobicContact CD2-CG 3.79Å; Y491-F544 AromaticContact CE1-CD1 3.58Å; Y491-F544 HydrophobicContact CE1-CD1 3.58Å; Y491-F544 AromaticContact CE1-CE1 3.62Å; Y491-F544 HydrophobicContact CE1-CE1 3.62Å; Y491-F544 HydrophobicContact CE1-CG 4.45Å; Y491-F544 HydrophobicContact CE1-CZ 4.49Å; Y491-F544 HydrophobicContact CE2-CB 4.17Å; Y491-F544 AromaticContact CE2-CD1 3.91Å; Y491-F544 HydrophobicContact CE2-CD1 3.91Å; Y491-F544 HydrophobicContact CE2-CG 4.33Å; Y491-F544 HydrophobicContact CG-CB 3.86Å; Y491-F544 AromaticContact CG-CD1 3.51Å; Y491-F544 HydrophobicContact CG-CD1 3.51Å; Y491-F544 HydrophobicContact CG-CD2 4.01Å; Y491-F544 HydrophobicContact CG-CE1 4Å; Y491-F544 HydrophobicContact CG-CE2 4.43Å; Y491-F544 AromaticContact CG-CG 3.54Å; Y491-F544 HydrophobicContact CG-CG 3.54Å; Y491-F544 HydrophobicContact CG-CZ 4.43Å; Y491-F544 AromaticContact CZ-CD1 3.8Å; Y491-D548 HydrophobicContact CE2-CB 4.05Å; Y491-D548 PolarHBondContact OH-OD2 3.37Å; Y491-W817 AromaticContact CD1-CE3 3.88Å; Y491-W817 HydrophobicContact CD1-CE3 3.88Å; Y491-W817 HydrophobicContact CD1-CZ3 4.11Å; Y491-W817 AromaticContact CE1-CE3 3.94Å; Y491-W817 HydrophobicContact CE1-CE3 3.94Å; Y491-W817 HydrophobicContact CE1-CZ3 4.48Å; Y491-W817 PolarHBondContact OH-O 3.02Å
492M87.3Confident87.7Confident1 Ų124.8 Ų24.81%0.00512%0.117CC..Hα-helixtrans-59.2-39.3174.6-71.7-175.3-69.300111.8Y488 T489 S494 R495 Y496 L807 W817 L841 L843Y488-M492 WeakPolarHBondContact O-CE 3.09Å; Y488-M492 WeakPolarHBondContact O-CG 3.42Å; Y488-M492 PolarHBondContact O-N 3.43Å; T489-M492 PolarHBondContact O-N 3.26Å; T489-M492 VanDerWaalsContact O-N 3.13Å; M492-S494 VanDerWaalsContact C-N 3.34Å; M492-R495 PolarHBondContact O-N 3.47Å; M492-Y496 WeakPolarHBondContact O-CB 3.49Å; M492-Y496 PolarHBondContact O-N 2.98Å; M492-L807 HydrophobicContact CE-CD1 4.24Å; M492-L807 HydrophobicContact SD-CD1 3.51Å; M492-L807 VanDerWaalsContact SD-CD1 3.51Å; M492-W817 HydrophobicContact CG-CH2 3.93Å; M492-W817 HydrophobicContact CG-CZ3 3.74Å; M492-W817 HydrophobicContact SD-CH2 3.75Å; M492-W817 HydrophobicContact SD-CZ3 4.2Å; M492-L841 HydrophobicContact SD-CB 4.4Å; M492-L843 HydrophobicContact CB-CB 4.17Å; M492-L843 HydrophobicContact CE-CD1 4.21Å
493C85.8Confident86.9Confident0 Ų025.4 Ų25.40%012%0.124CC..Hα-helixtrans-56.6-48.1172.6-630000111.6T489 L490 Y491 Y496 C497 L509 F845T489-C493 WeakPolarHBondContact O-CB 3.14Å; T489-C493 PolarHBondContact O-N 2.78Å; T489-C493 PolarHBondContact O-SG 3.03Å; L490-C493 WeakPolarHBondContact O-CB 3.32Å; L490-C493 PolarHBondContact O-N 3.34Å; Y491-C493 VanDerWaalsContact C-N 3.26Å; Y491-C493 PolarHBondContact O-N 3.46Å; C493-Y496 WeakPolarHBondContact O-CB 3.46Å; C493-Y496 PolarHBondContact O-N 2.75Å; C493-C497 PolarHBondContact O-N 2.89Å; C493-C497 VanDerWaalsContact O-N 3.1Å; C493-C497 PolarHBondContact O-SG 3.16Å; C493-C497 VanDerWaalsContact O-SG 3.4Å; C493-L509 HydrophobicContact CB-CD2 3.7Å; C493-F845 HydrophobicContact CB-CE1 4.32Å; C493-F845 HydrophobicContact CB-CE2 4.25Å; C493-F845 HydrophobicContact CB-CZ 3.45Å; C493-F845 VanDerWaalsContact CB-CZ 3.45Å; C493-F845 VanDerWaalsContact SG-CE1 3.51Å; C493-F845 WeakPolarHBondContact SG-CZ 3.26Å
494S88.7Confident86.1Confident1 Ų126.7 Ų26.71%0.00714%0.139CC..Hα-helixtrans-65.6-45.2-179.3-56.30000111.5L490 Y491 M492 Y496 C497 V498L490-S494 WeakPolarHBondContact O-CB 3.37Å; L490-S494 PolarHBondContact O-N 3.47Å; L490-S494 PolarHBondContact O-OG 2.89Å; Y491-S494 WeakPolarHBondContact O-CB 3.46Å; Y491-S494 PolarHBondContact O-N 3.29Å; Y491-S494 VanDerWaalsContact O-N 3.07Å; M492-S494 VanDerWaalsContact C-N 3.34Å; S494-Y496 VanDerWaalsContact C-N 3.31Å; S494-Y496 PolarHBondContact O-N 3.39Å; S494-C497 WeakPolarHBondContact O-CB 3.39Å; S494-C497 PolarHBondContact O-N 2.89Å; S494-C497 VanDerWaalsContact O-N 3.16Å; S494-V498 WeakPolarHBondContact O-CG2 3.44Å; S494-V498 PolarHBondContact O-N 3.47Å
495R83.6Confident85.1Confident14 Ų1428.5 Ų28.55%0.05315%0.15CC..Hα-helixtrans-60-39.3174.5-73.7-57.9-47162.33.2112.7Y491 M492 V498 S499 D548 D550 H820Y491-R495 HydrophobicContact CD2-CG 4.22Å; Y491-R495 HydrophobicContact CE1-CG 4.31Å; Y491-R495 HydrophobicContact CE2-CG 3.79Å; Y491-R495 PolarHBondContact O-N 3.3Å; M492-R495 PolarHBondContact O-N 3.47Å; R495-V498 PolarHBondContact O-N 3.1Å; R495-S499 PolarHBondContact O-N 3.48Å; R495-D548 WeakPolarHBondContact CD-OD2 3.1Å; R495-D548 IonicContact CZ-OD2 2.78Å; R495-D548 IonicContact NE-OD2 3.93Å; R495-D548 IonicContact NH1-OD1 2.73Å; R495-D548 PolarHBondContact NH1-OD1 2.86Å; R495-D548 VanDerWaalsContact NH1-OD1 3.16Å; R495-D548 IonicContact NH1-OD2 3.21Å; R495-D548 PolarHBondContact NH1-OD2 2.89Å; R495-D550 IonicContact CZ-OD2 3.27Å; R495-D550 IonicContact NH1-OD2 3.43Å; R495-D550 PolarHBondContact NH1-OD2 2.96Å; R495-D550 IonicContact NH2-OD2 2.98Å; R495-H820 PolarHBondContact NE-CD2 3.32Å; R495-H820 PolarHBondContact NH2-CE1 3.1Å; R495-H820 PolarHBondContact NH2-ND1 3.28Å; R495-H820 PolarHBondContact NH2-NE2 3.03Å
496Y79.7Confident84.6Confident7 Ų728.5 Ų28.53%0.02715%0.15CC..Hα-helixtrans-59.9-48.2174.5179.4-96.5000110.9M492 C493 S494 V498 S499 R500 Y842 M844 F845 V848M492-Y496 WeakPolarHBondContact O-CB 3.49Å; M492-Y496 PolarHBondContact O-N 2.98Å; C493-Y496 WeakPolarHBondContact O-CB 3.46Å; C493-Y496 PolarHBondContact O-N 2.75Å; S494-Y496 VanDerWaalsContact C-N 3.31Å; S494-Y496 PolarHBondContact O-N 3.39Å; Y496-V498 VanDerWaalsContact C-N 3.35Å; Y496-V498 PolarHBondContact O-N 2.95Å; Y496-S499 PolarHBondContact O-N 3.12Å; Y496-S499 PolarHBondContact O-OG 3.19Å; Y496-R500 HydrophobicContact CE1-CG 4.24Å; Y496-R500 HydrophobicContact CE2-CG 4.31Å; Y496-R500 PolarHBondContact O-N 3.09Å; Y496-Y842 HydrophobicContact CD2-CD1 4.19Å; Y496-Y842 HydrophobicContact CD2-CG 4.44Å; Y496-M844 HydrophobicContact CE2-CG 4.08Å; Y496-F845 AromaticContact CD1-CD2 3.53Å; Y496-F845 HydrophobicContact CD1-CD2 3.53Å; Y496-F845 AromaticContact CD1-CE2 3.65Å; Y496-F845 HydrophobicContact CD1-CE2 3.65Å; Y496-F845 AromaticContact CE1-CD2 3.81Å; Y496-F845 HydrophobicContact CE1-CD2 3.81Å; Y496-F845 HydrophobicContact CE1-CE2 4.37Å; Y496-F845 HydrophobicContact CG-CD2 4.16Å; Y496-F845 HydrophobicContact CG-CE2 4.12Å; Y496-V848 HydrophobicContact CE1-CG2 4.32Å; Y496-V848 WeakPolarHBondContact OH-CB 3.41Å; Y496-V848 VanDerWaalsContact OH-CG2 3.24Å; Y496-V848 WeakPolarHBondContact OH-CG2 3.4Å
497C83Confident84.1Confident4 Ų429.6 Ų29.63%0.02716%0.158CC..Hα-helixtrans-59.3-43.9175.4-64.90000112.3C493 S494 S499 R500 E501 L502 M506C493-C497 PolarHBondContact O-N 2.89Å; C493-C497 VanDerWaalsContact O-N 3.1Å; C493-C497 PolarHBondContact O-SG 3.16Å; C493-C497 VanDerWaalsContact O-SG 3.4Å; S494-C497 WeakPolarHBondContact O-CB 3.39Å; S494-C497 PolarHBondContact O-N 2.89Å; S494-C497 VanDerWaalsContact O-N 3.16Å; C497-S499 PolarHBondContact O-N 3.23Å; C497-R500 CarbonylContact O-C 3.53Å; C497-R500 PolarHBondContact O-N 3.23Å; C497-E501 PolarHBondContact O-N 3.2Å; C497-E501 VanDerWaalsContact O-N 3.12Å; C497-L502 HydrophobicContact CB-CB 4.15Å; C497-L502 PolarHBondContact O-N 3.13Å; C497-M506 HydrophobicContact CB-CB 3.63Å; C497-M506 HydrophobicContact CB-CG 4.16Å; C497-M506 HydrophobicContact CB-SD 4.44Å
498V82.1Confident83.4Confident9 Ų933.6 Ų33.66%0.05518%0.175CC..Hα-helixtrans-57.6-46.61761690000111.6S494 R495 Y496 R500 E501 M506 D550 V551 K554S494-V498 WeakPolarHBondContact O-CG2 3.44Å; S494-V498 PolarHBondContact O-N 3.47Å; R495-V498 PolarHBondContact O-N 3.1Å; Y496-V498 VanDerWaalsContact C-N 3.35Å; Y496-V498 PolarHBondContact O-N 2.95Å; V498-R500 PolarHBondContact O-N 3.39Å; V498-E501 PolarHBondContact O-N 3.39Å; V498-E501 VanDerWaalsContact O-N 3.09Å; V498-M506 HydrophobicContact CG2-CE 4.12Å; V498-M506 HydrophobicContact CG2-SD 3.71Å; V498-D550 HydrophobicContact CG1-CB 3.52Å; V498-D550 HydrophobicContact CG2-CB 4.18Å; V498-V551 HydrophobicContact CG2-CG2 3.85Å; V498-K554 HydrophobicContact CG2-CD 4.47Å
499S77.3Confident83Confident50 Ų5034 Ų3435%0.3518%0.177SC..Hα-helixtrans-65.8-21.1-178.372.50000114.4R495 Y496 C497 Y842R495-S499 PolarHBondContact O-N 3.48Å; Y496-S499 PolarHBondContact O-N 3.12Å; Y496-S499 PolarHBondContact O-OG 3.19Å; C497-S499 PolarHBondContact O-N 3.23Å; S499-Y842 VanDerWaalsContact CB-CE1 3.48Å; S499-Y842 WeakPolarHBondContact CB-OH 3.44Å; S499-Y842 VanDerWaalsContact OG-CE1 3.29Å; S499-Y842 WeakPolarHBondContact OG-CE1 3.28Å
500R76.3Confident83Confident122 Ų12234.1 Ų34.146%0.4618%0.178SC..THydrogen-bonded Turntrans-103.67.4178.3-65.1-75.4173145.6-1.7112.2Y496 C497 V498 L502Y496-R500 HydrophobicContact CE1-CG 4.24Å; Y496-R500 HydrophobicContact CE2-CG 4.31Å; Y496-R500 PolarHBondContact O-N 3.09Å; C497-R500 CarbonylContact O-C 3.53Å; C497-R500 PolarHBondContact O-N 3.23Å; V498-R500 PolarHBondContact O-N 3.39Å; R500-L502 HydrophobicContact CB-CD1 3.8Å; R500-L502 HydrophobicContact CB-CG 3.72Å; R500-L502 PolarHBondContact O-N 3.43Å; R500-L502 VanDerWaalsContact O-N 3.17Å
501E77.1Confident82.8Confident168 Ų16836.2 Ų36.279%0.78519%0.193SC*.THydrogen-bonded Turntrans58.123-176-55-174.1164.400114.2C497 V498 S503C497-E501 PolarHBondContact O-N 3.2Å; C497-E501 VanDerWaalsContact O-N 3.12Å; V498-E501 PolarHBondContact O-N 3.39Å; V498-E501 VanDerWaalsContact O-N 3.09Å; E501-S503 VanDerWaalsContact C-N 3.25Å; E501-S503 PolarHBondContact O-N 3.1Å
502L76.7Confident82.6Confident57 Ų5739.3 Ų39.330%0.29821%0.206SC..  trans-85.852.5-178.2-58.7176.9000112.4C497 R500 S504 T505 M506C497-L502 HydrophobicContact CB-CB 4.15Å; C497-L502 PolarHBondContact O-N 3.13Å; R500-L502 HydrophobicContact CB-CD1 3.8Å; R500-L502 HydrophobicContact CB-CG 3.72Å; R500-L502 PolarHBondContact O-N 3.43Å; R500-L502 VanDerWaalsContact O-N 3.17Å; L502-S504 VanDerWaalsContact C-N 3.33Å; L502-S504 PolarHBondContact O-N 3.14Å; L502-T505 PolarHBondContact O-N 2.88Å; L502-M506 PolarHBondContact O-N 2.93Å
503S78.4Confident82.9Confident36 Ų3639.2 Ų39.225%0.25221%0.206SC..Hα-helixtrans-61.5-38.8-174.1-52.30000112.7E501 M506 C507E501-S503 VanDerWaalsContact C-N 3.25Å; E501-S503 PolarHBondContact O-N 3.1Å; S503-M506 WeakPolarHBondContact O-CB 3.41Å; S503-M506 PolarHBondContact O-N 3.39Å; S503-C507 PolarHBondContact O-N 3.26Å; S503-C507 PolarHBondContact O-SG 3.39Å; S503-C507 VanDerWaalsContact O-SG 3.34Å
504S77.5Confident83.4Confident75 Ų7539.2 Ų39.252%0.52421%0.206SC..Hα-helixtrans-65.8-41.4178.163.60000112.2L502 C507 K508L502-S504 VanDerWaalsContact C-N 3.33Å; L502-S504 PolarHBondContact O-N 3.14Å; S504-C507 PolarHBondContact O-N 3.3Å; S504-K508 VanDerWaalsContact O-CG 3.32Å; S504-K508 WeakPolarHBondContact O-CG 3.25Å; S504-K508 PolarHBondContact O-N 3.41Å; S504-K508 VanDerWaalsContact O-N 3.11Å
505T76.8Confident83.5Confident42 Ų4243.6 Ų43.626%0.25823%0.226SC..Hα-helixtrans-64.7-41.5175.5-52.50000111.1L502 K508 L509 F847L502-T505 PolarHBondContact O-N 2.88Å; T505-K508 PolarHBondContact O-N 3.33Å; T505-L509 WeakPolarHBondContact O-CB 3.47Å; T505-L509 PolarHBondContact O-N 3.36Å; T505-F847 HydrophobicContact CG2-CE1 4.08Å
506M83Confident84.1Confident0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-58.8-49175-173.1176.160.300111.8C497 V498 L502 S503 K508 L509 L510 V551 K554 T555C497-M506 HydrophobicContact CB-CB 3.63Å; C497-M506 HydrophobicContact CB-CG 4.16Å; C497-M506 HydrophobicContact CB-SD 4.44Å; V498-M506 HydrophobicContact CG2-CE 4.12Å; V498-M506 HydrophobicContact CG2-SD 3.71Å; L502-M506 PolarHBondContact O-N 2.93Å; S503-M506 WeakPolarHBondContact O-CB 3.41Å; S503-M506 PolarHBondContact O-N 3.39Å; M506-K508 VanDerWaalsContact C-N 3.34Å; M506-K508 PolarHBondContact O-N 3.32Å; M506-L509 PolarHBondContact O-N 3.24Å; M506-L510 HydrophobicContact CG-CD1 4.04Å; M506-L510 HydrophobicContact CG-CG 4.49Å; M506-L510 WeakPolarHBondContact O-CG 2.99Å; M506-L510 PolarHBondContact O-N 2.95Å; M506-V551 HydrophobicContact CE-CG1 4.5Å; M506-V551 HydrophobicContact SD-CG1 4.04Å; M506-V551 HydrophobicContact SD-CG2 4.33Å; M506-K554 HydrophobicContact CE-CB 3.74Å; M506-T555 WeakPolarHBondContact CE-OG1 3.26Å
507C84.9Confident84.9Confident24 Ų2442.7 Ų42.716%0.16222%0.223CC..Hα-helixtrans-58.4-46.5177.8-68.40000111.4S503 S504 L509 L510 S511 K554S503-C507 PolarHBondContact O-N 3.26Å; S503-C507 PolarHBondContact O-SG 3.39Å; S503-C507 VanDerWaalsContact O-SG 3.34Å; S504-C507 PolarHBondContact O-N 3.3Å; C507-L509 PolarHBondContact O-N 3.5Å; C507-L510 PolarHBondContact O-N 3.49Å; C507-S511 WeakPolarHBondContact O-CB 3.05Å; C507-S511 PolarHBondContact O-N 2.77Å; C507-S511 PolarHBondContact O-OG 3.31Å; C507-S511 VanDerWaalsContact O-OG 3.06Å; C507-K554 PolarHBondContact SG-O 2.84Å
508K80.8Confident85.6Confident84 Ų8444.1 Ų44.137%0.36523%0.23SC..Hα-helixtrans-60.2-44.3177.3-68170.3-164.71770112A362 S504 T505 M506 K512A362-K508 HydrophobicContact CB-CD 4.01Å; A362-K508 HydrophobicContact CB-CG 4.4Å; S504-K508 VanDerWaalsContact O-CG 3.32Å; S504-K508 WeakPolarHBondContact O-CG 3.25Å; S504-K508 PolarHBondContact O-N 3.41Å; S504-K508 VanDerWaalsContact O-N 3.11Å; T505-K508 PolarHBondContact O-N 3.33Å; M506-K508 VanDerWaalsContact C-N 3.34Å; M506-K508 PolarHBondContact O-N 3.32Å; K508-K512 WeakPolarHBondContact O-CB 3.5Å; K508-K512 PolarHBondContact O-N 2.74Å
509L86Confident86.2Confident9 Ų946.4 Ų46.45%0.04724%0.241CC..Hα-helixtrans-60.3-47.8177.8-176.475.3000110.9A464 L467 L468 C493 T505 M506 C507 K512 A513A464-L509 HydrophobicContact CB-CD1 4.35Å; L467-L509 HydrophobicContact CD2-CD1 4.42Å; L468-L509 HydrophobicContact CD1-CD1 4.04Å; L468-L509 HydrophobicContact CD2-CD1 3.9Å; L468-L509 HydrophobicContact CD2-CG 4.48Å; L468-L509 HydrophobicContact CG-CD1 3.94Å; C493-L509 HydrophobicContact CB-CD2 3.7Å; T505-L509 WeakPolarHBondContact O-CB 3.47Å; T505-L509 PolarHBondContact O-N 3.36Å; M506-L509 PolarHBondContact O-N 3.24Å; C507-L509 PolarHBondContact O-N 3.5Å; L509-K512 PolarHBondContact O-N 2.98Å; L509-A513 VanDerWaalsContact O-CB 3.22Å; L509-A513 WeakPolarHBondContact O-CB 3.23Å; L509-A513 PolarHBondContact O-N 3.06Å
510L91.2Very high87Confident1 Ų144.3 Ų44.31%0.00523%0.226CC..Hα-helixtrans-68.9-41.4-179.2-70.7176.4000112.6M506 C507 K512 A513 A514 I545 T555 P559M506-L510 HydrophobicContact CG-CD1 4.04Å; M506-L510 HydrophobicContact CG-CG 4.49Å; M506-L510 WeakPolarHBondContact O-CG 2.99Å; M506-L510 PolarHBondContact O-N 2.95Å; C507-L510 PolarHBondContact O-N 3.49Å; L510-K512 VanDerWaalsContact C-N 3.34Å; L510-K512 PolarHBondContact O-N 2.99Å; L510-A513 PolarHBondContact O-N 3.4Å; L510-A514 WeakPolarHBondContact O-CB 3.47Å; L510-A514 PolarHBondContact O-N 3.15Å; L510-I545 HydrophobicContact CD1-CD1 4.03Å; L510-I545 HydrophobicContact CD1-CG1 4.28Å; L510-I545 HydrophobicContact CD2-CD1 3.84Å; L510-I545 HydrophobicContact CD2-CG1 4.5Å; L510-T555 HydrophobicContact CD1-CG2 3.76Å; L510-P559 HydrophobicContact CB-CB 3.89Å; L510-P559 HydrophobicContact CB-CG 4.27Å
511S89.9Confident88Confident46 Ų4638.5 Ų38.532%0.32221%0.205SC..Hα-helixtrans-58.5-47.4173-64.90000110.9C507 A514 E515 P559C507-S511 WeakPolarHBondContact O-CB 3.05Å; C507-S511 PolarHBondContact O-N 2.77Å; C507-S511 PolarHBondContact O-OG 3.31Å; C507-S511 VanDerWaalsContact O-OG 3.06Å; S511-A514 PolarHBondContact O-N 3.24Å; S511-E515 PolarHBondContact O-N 2.82Å; S511-P559 WeakPolarHBondContact OG-CG 3.38Å
512K88.7Confident88.9Confident75 Ų7534.6 Ų34.633%0.32619%0.186SC..Hα-helixtrans-67.8-39.3180-171.663.1-177.8175.60111.9L468 K508 L509 L510 A514 E515 M516L468-K512 HydrophobicContact CD1-CB 3.69Å; L468-K512 HydrophobicContact CD1-CG 3.53Å; K508-K512 WeakPolarHBondContact O-CB 3.5Å; K508-K512 PolarHBondContact O-N 2.74Å; L509-K512 PolarHBondContact O-N 2.98Å; L510-K512 VanDerWaalsContact C-N 3.34Å; L510-K512 PolarHBondContact O-N 2.99Å; K512-A514 VanDerWaalsContact C-N 3.34Å; K512-A514 PolarHBondContact O-N 3.29Å; K512-E515 WeakPolarHBondContact CD-OE2 3.4Å; K512-E515 IonicContact NZ-OE1 2.71Å; K512-E515 IonicContact NZ-OE2 3.23Å; K512-E515 PolarHBondContact NZ-OE2 3.25Å; K512-E515 PolarHBondContact O-N 3.42Å; K512-M516 HydrophobicContact CD-SD 4.49Å; K512-M516 HydrophobicContact CG-CG 4.48Å; K512-M516 HydrophobicContact CG-SD 3.99Å; K512-M516 WeakPolarHBondContact O-CB 3.49Å; K512-M516 VanDerWaalsContact O-CG 3.27Å; K512-M516 WeakPolarHBondContact O-CG 3.3Å; K512-M516 PolarHBondContact O-N 3.31Å
513A93.7Very high89.7Confident0 Ų037.4 Ų37.40%020%0.201CC..Hα-helixtrans-58.9-46.7173.800000111L468 I472 L490 L509 L510 M516 M517L468-A513 HydrophobicContact CD2-CB 3.78Å; I472-A513 HydrophobicContact CD1-CB 3.81Å; I472-A513 WeakPolarHBondContact CD1-O 3.44Å; L490-A513 HydrophobicContact CD1-CB 4.38Å; L490-A513 HydrophobicContact CD2-CB 4.09Å; L509-A513 VanDerWaalsContact O-CB 3.22Å; L509-A513 WeakPolarHBondContact O-CB 3.23Å; L509-A513 PolarHBondContact O-N 3.06Å; L510-A513 PolarHBondContact O-N 3.4Å; A513-M516 PolarHBondContact O-N 2.87Å; A513-M517 HydrophobicContact CB-CE 4.4Å; A513-M517 VanDerWaalsContact O-CG 3.25Å; A513-M517 WeakPolarHBondContact O-CG 3.35Å; A513-M517 PolarHBondContact O-N 3.38Å
514A95.7Very high90.4Very high0 Ų037.7 Ų37.70%020%0.2CC..Hα-helixtrans-62-45.2178.600000112.2L510 S511 K512 M516 M517 L518 I563L510-A514 WeakPolarHBondContact O-CB 3.47Å; L510-A514 PolarHBondContact O-N 3.15Å; S511-A514 PolarHBondContact O-N 3.24Å; K512-A514 VanDerWaalsContact C-N 3.34Å; K512-A514 PolarHBondContact O-N 3.29Å; A514-M516 VanDerWaalsContact C-N 3.35Å; A514-M516 PolarHBondContact O-N 2.85Å; A514-M517 PolarHBondContact O-N 3.16Å; A514-L518 WeakPolarHBondContact O-CG 3.47Å; A514-L518 PolarHBondContact O-N 3.35Å; A514-I563 HydrophobicContact CB-CG1 3.74Å
515E92.3Very high91.3Very high93 Ų9339 Ų3944%0.43519%0.193SC..Hα-helixtrans-58.2-46.8174.1-171.7-163.6178.400111.2S511 K512 M517 L518 I519S511-E515 PolarHBondContact O-N 2.82Å; K512-E515 WeakPolarHBondContact CD-OE2 3.4Å; K512-E515 IonicContact NZ-OE1 2.71Å; K512-E515 IonicContact NZ-OE2 3.23Å; K512-E515 PolarHBondContact NZ-OE2 3.25Å; K512-E515 PolarHBondContact O-N 3.42Å; E515-M517 PolarHBondContact O-N 2.82Å; E515-L518 PolarHBondContact O-N 3.35Å; E515-I519 HydrophobicContact CG-CD1 4.06Å; E515-I519 WeakPolarHBondContact O-CG1 3.46Å; E515-I519 PolarHBondContact O-N 3.01Å
516M94.8Very high92.1Very high1 Ų144.2 Ų44.21%0.00521%0.21CC..Hα-helixtrans-66.5-36.5179.3-71.8177.266.200112.7L468 N469 I472 R473 K512 A513 A514 I519 T520L468-M516 VanDerWaalsContact C-CE 3.44Å; L468-M516 HydrophobicContact CB-CE 3.73Å; L468-M516 HydrophobicContact CB-SD 3.53Å; L468-M516 VanDerWaalsContact CB-SD 3.53Å; L468-M516 HydrophobicContact CD1-SD 3.96Å; L468-M516 HydrophobicContact CG-SD 4.39Å; L468-M516 WeakPolarHBondContact O-CE 3.19Å; N469-M516 HydrophobicContact CB-CE 4.48Å; N469-M516 VanDerWaalsContact OD1-CE 3.24Å; N469-M516 WeakPolarHBondContact OD1-CE 3.48Å; I472-M516 HydrophobicContact CB-CB 4.47Å; I472-M516 HydrophobicContact CD1-CB 3.99Å; I472-M516 HydrophobicContact CG2-CB 4.01Å; R473-M516 HydrophobicContact CG-CE 3.92Å; K512-M516 HydrophobicContact CD-SD 4.49Å; K512-M516 HydrophobicContact CG-CG 4.48Å; K512-M516 HydrophobicContact CG-SD 3.99Å; K512-M516 WeakPolarHBondContact O-CB 3.49Å; K512-M516 VanDerWaalsContact O-CG 3.27Å; K512-M516 WeakPolarHBondContact O-CG 3.3Å; K512-M516 PolarHBondContact O-N 3.31Å; A513-M516 PolarHBondContact O-N 2.87Å; A514-M516 VanDerWaalsContact C-N 3.35Å; A514-M516 PolarHBondContact O-N 2.85Å; M516-I519 PolarHBondContact O-N 2.92Å; M516-T520 VanDerWaalsContact O-CB 3.3Å; M516-T520 WeakPolarHBondContact O-CB 3.34Å; M516-T520 PolarHBondContact O-N 3.28Å; M516-T520 PolarHBondContact O-OG1 3Å
517M97.8Very high92.6Very high0 Ų047.3 Ų47.30%023%0.226CC..Hα-helixtrans-59.9-50172.6-72.5175.3-166.200110.4I472 L490 A513 A514 E515 I519 T520 I521 W534 A538 T541 I563 A566I472-M517 HydrophobicContact CD1-CE 4.44Å; I472-M517 HydrophobicContact CD1-CG 4.27Å; I472-M517 HydrophobicContact CG2-CG 4.28Å; L490-M517 HydrophobicContact CD1-CE 3.2Å; A513-M517 HydrophobicContact CB-CE 4.4Å; A513-M517 VanDerWaalsContact O-CG 3.25Å; A513-M517 WeakPolarHBondContact O-CG 3.35Å; A513-M517 PolarHBondContact O-N 3.38Å; A514-M517 PolarHBondContact O-N 3.16Å; E515-M517 PolarHBondContact O-N 2.82Å; M517-I519 PolarHBondContact O-N 3.27Å; M517-T520 PolarHBondContact O-N 2.97Å; M517-I521 WeakPolarHBondContact O-CB 3.35Å; M517-I521 WeakPolarHBondContact O-CD1 3.18Å; M517-I521 VanDerWaalsContact O-CG1 3.24Å; M517-I521 WeakPolarHBondContact O-CG1 3.43Å; M517-I521 PolarHBondContact O-N 2.97Å; M517-W534 HydrophobicContact CE-CZ3 4.23Å; M517-W534 HydrophobicContact CG-CE3 3.93Å; M517-W534 HydrophobicContact CG-CH2 4.48Å; M517-W534 HydrophobicContact CG-CZ3 3.69Å; M517-W534 HydrophobicContact SD-CZ3 4.31Å; M517-A538 HydrophobicContact SD-CB 4.23Å; M517-T541 HydrophobicContact CE-CG2 4.44Å; M517-I563 HydrophobicContact SD-CG1 4.36Å; M517-A566 HydrophobicContact CB-CB 4.26Å
518L97.8Very high93.2Very high35 Ų3547.1 Ų47.118%0.18323%0.226CC..Hα-helixtrans-58.6-45.7179.1-74167.6000111.9A514 E515 Q522 D565 A566 K569A514-L518 WeakPolarHBondContact O-CG 3.47Å; A514-L518 PolarHBondContact O-N 3.35Å; E515-L518 PolarHBondContact O-N 3.35Å; L518-Q522 WeakPolarHBondContact O-CB 3.49Å; L518-Q522 PolarHBondContact O-N 3.33Å; L518-D565 WeakPolarHBondContact CD2-OD2 3.43Å; L518-A566 HydrophobicContact CD2-CB 3.84Å; L518-A566 HydrophobicContact CG-CB 4.11Å; L518-K569 HydrophobicContact CD2-CD 3.65Å
519I93.8Very high93.9Very high57 Ų5744.9 Ų44.929%0.29222%0.221SC..Hα-helixtrans-62.1-46.9176-66.5166.3000110.7E515 M516 M517 I521 Q522 D523E515-I519 HydrophobicContact CG-CD1 4.06Å; E515-I519 WeakPolarHBondContact O-CG1 3.46Å; E515-I519 PolarHBondContact O-N 3.01Å; M516-I519 PolarHBondContact O-N 2.92Å; M517-I519 PolarHBondContact O-N 3.27Å; I519-I521 VanDerWaalsContact C-N 3.34Å; I519-I521 PolarHBondContact O-N 3.08Å; I519-Q522 WeakPolarHBondContact O-CB 3.47Å; I519-Q522 PolarHBondContact O-N 3.43Å; I519-D523 PolarHBondContact O-N 3.5Å
520T94.3Very high94.4Very high5 Ų545.7 Ų45.73%0.03123%0.225CC..Hα-helixtrans-64.1-39.4-178.3-56.40000111.9M516 M517 N524 W534M516-T520 VanDerWaalsContact O-CB 3.3Å; M516-T520 WeakPolarHBondContact O-CB 3.34Å; M516-T520 PolarHBondContact O-N 3.28Å; M516-T520 PolarHBondContact O-OG1 3Å; M517-T520 PolarHBondContact O-N 2.97Å; T520-N524 WeakPolarHBondContact O-CB 3.3Å; T520-N524 PolarHBondContact O-N 3.18Å; T520-N524 VanDerWaalsContact O-N 3.09Å; T520-N524 PolarHBondContact O-ND2 3.12Å; T520-W534 HydrophobicContact CG2-CZ2 4.5Å
521I97.3Very high94.7Very high1 Ų145.7 Ų45.71%0.00523%0.225CC..Hα-helixtrans-63-45.9174.3-72.7160.3000110.4M517 I519 N524 R525 L531 W534 A566 K569 A570M517-I521 WeakPolarHBondContact O-CB 3.35Å; M517-I521 WeakPolarHBondContact O-CD1 3.18Å; M517-I521 VanDerWaalsContact O-CG1 3.24Å; M517-I521 WeakPolarHBondContact O-CG1 3.43Å; M517-I521 PolarHBondContact O-N 2.97Å; I519-I521 VanDerWaalsContact C-N 3.34Å; I519-I521 PolarHBondContact O-N 3.08Å; I521-N524 CarbonylContact O-C 3.55Å; I521-N524 PolarHBondContact O-N 3.28Å; I521-R525 PolarHBondContact O-N 3.07Å; I521-L531 HydrophobicContact CG2-CD2 3.96Å; I521-W534 HydrophobicContact CD1-CB 4.02Å; I521-W534 HydrophobicContact CG1-CB 3.67Å; I521-W534 HydrophobicContact CG1-CG 3.94Å; I521-A566 HydrophobicContact CD1-CB 3.79Å; I521-A566 WeakPolarHBondContact CD1-O 3.28Å; I521-K569 HydrophobicContact CG2-CB 4.25Å; I521-A570 HydrophobicContact CD1-CB 4.05Å; I521-A570 HydrophobicContact CG1-CB 4.3Å; I521-A570 HydrophobicContact CG2-CB 4.3Å
522Q95.8Very high95.1Very high85 Ų8543.5 Ų43.540%0.39721%0.21SC..Hα-helixtrans-63-43.9179.6-179.662.23800112.1L518 I519 N524 R525L518-Q522 WeakPolarHBondContact O-CB 3.49Å; L518-Q522 PolarHBondContact O-N 3.33Å; I519-Q522 WeakPolarHBondContact O-CB 3.47Å; I519-Q522 PolarHBondContact O-N 3.43Å; Q522-N524 PolarHBondContact O-N 3.14Å; Q522-R525 WeakPolarHBondContact O-CB 3.37Å; Q522-R525 WeakPolarHBondContact O-CG 3.21Å; Q522-R525 PolarHBondContact O-N 2.83Å
523D92.9Very high95.6Very high116 Ų11640 Ų4062%0.6219%0.194SC*.Hα-helixtrans-65.5-29.8178-71-17.9000111.7I519I519-D523 PolarHBondContact O-N 3.5Å
524N92.7Very high95.8Very high42 Ų4240 Ų4023%0.22520%0.195CC..THydrogen-bonded Turntrans-103.720.9-179.8-70.1-83.3000114.1T520 I521 Q522 Y526 N527 M530T520-N524 WeakPolarHBondContact O-CB 3.3Å; T520-N524 PolarHBondContact O-N 3.18Å; T520-N524 VanDerWaalsContact O-N 3.09Å; T520-N524 PolarHBondContact O-ND2 3.12Å; I521-N524 CarbonylContact O-C 3.55Å; I521-N524 PolarHBondContact O-N 3.28Å; Q522-N524 PolarHBondContact O-N 3.14Å; N524-Y526 PolarHBondContact O-N 3.45Å; N524-N527 HydrophobicContact CB-CB 4.32Å; N524-N527 PolarHBondContact O-N 3.28Å; N524-M530 HydrophobicContact CB-CB 3.83Å; N524-M530 HydrophobicContact CB-CG 4.27Å
525R96.3Very high95.9Very high102 Ų10240 Ų4039%0.38520%0.195SC..THydrogen-bonded Turntrans-57.2-10.7-175.366.8-178.5174.9168.6-1.3116.8I521 Q522 H573 C577I521-R525 PolarHBondContact O-N 3.07Å; Q522-R525 WeakPolarHBondContact O-CB 3.37Å; Q522-R525 WeakPolarHBondContact O-CG 3.21Å; Q522-R525 PolarHBondContact O-N 2.83Å; R525-H573 HydrophobicContact CB-CB 4.35Å; R525-C577 PolarHBondContact O-SG 2.76Å; R525-C577 VanDerWaalsContact O-SG 3.34Å
526Y94.5Very high96.2Very high152 Ų15235.8 Ų35.860%0.59618%0.176SC*.THydrogen-bonded Turntrans-112.23.2176.7-54.6-56.7000113.9N524 C577N524-Y526 PolarHBondContact O-N 3.45Å; Y526-C577 VanDerWaalsContact CA-SG 3.59Å
527N93.7Very high96.4Very high66 Ų6635.8 Ų35.835%0.35318%0.175SC..  trans-107.495.1-177.3-177.8-18000109.9N524 S529 M530 L531N524-N527 HydrophobicContact CB-CB 4.32Å; N524-N527 PolarHBondContact O-N 3.28Å; N527-S529 PolarHBondContact O-N 3.18Å; N527-S529 PolarHBondContact OD1-N 3.18Å; N527-M530 HydrophobicContact CB-CB 4.08Å; N527-M530 HydrophobicContact CB-CG 4.37Å; N527-M530 WeakPolarHBondContact ND2-CG 3.11Å; N527-M530 PolarHBondContact O-N 2.94Å; N527-M530 VanDerWaalsContact O-N 3.09Å; N527-M530 PolarHBondContact OD1-N 3.42Å; N527-L531 VanDerWaalsContact O-CG 3.31Å; N527-L531 WeakPolarHBondContact O-CG 2.91Å; N527-L531 PolarHBondContact O-N 3.23Å
528A96.3Very high96.4Very high19 Ų1935.8 Ų35.816%0.15718%0.175CC..Hα-helixtrans-55.8-35.5-177.600000113.3L531 A532 L574 C577 L578 L613A528-L531 PolarHBondContact O-N 3.05Å; A528-A532 WeakPolarHBondContact O-CB 3.04Å; A528-A532 PolarHBondContact O-N 2.88Å; A528-L574 HydrophobicContact CB-CD1 3.72Å; A528-C577 HydrophobicContact CB-CB 4.43Å; A528-L578 HydrophobicContact CB-CD2 4.28Å; A528-L613 HydrophobicContact CB-CD2 4Å
529S95.7Very high96.5Very high38 Ų3834.1 Ų34.127%0.26617%0.167SC..Hα-helixtrans-65.5-43.1178.1-174.10000112.2N527 Y533N527-S529 PolarHBondContact O-N 3.18Å; N527-S529 PolarHBondContact OD1-N 3.18Å; S529-Y533 WeakPolarHBondContact O-CB 3.29Å; S529-Y533 PolarHBondContact O-N 3Å
530M97.1Very high96.7Very high26 Ų2631.8 Ų31.813%0.12816%0.155CC..Hα-helixtrans-68.5-39.1176.5-80.7-68.7-159.600111.9V475 P477 N524 N527 Y533 W534V475-M530 WeakPolarHBondContact O-CE 3.29Å; P477-M530 WeakPolarHBondContact CD-SD 3.36Å; P477-M530 HydrophobicContact CG-CE 4.39Å; P477-M530 HydrophobicContact CG-SD 3.51Å; P477-M530 VanDerWaalsContact CG-SD 3.51Å; N524-M530 HydrophobicContact CB-CB 3.83Å; N524-M530 HydrophobicContact CB-CG 4.27Å; N527-M530 HydrophobicContact CB-CB 4.08Å; N527-M530 HydrophobicContact CB-CG 4.37Å; N527-M530 WeakPolarHBondContact ND2-CG 3.11Å; N527-M530 PolarHBondContact O-N 2.94Å; N527-M530 VanDerWaalsContact O-N 3.09Å; N527-M530 PolarHBondContact OD1-N 3.42Å; M530-Y533 WeakPolarHBondContact O-CB 3.3Å; M530-Y533 PolarHBondContact O-N 2.89Å; M530-W534 VanDerWaalsContact O-CD1 3.32Å; M530-W534 PolarHBondContact O-N 2.68Å
531L98.4Very high96.8Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-68.9-41.2-179.5-64.6166.2000112I521 N527 A528 Y533 W534 M535 H573 L574I521-L531 HydrophobicContact CG2-CD2 3.96Å; N527-L531 VanDerWaalsContact O-CG 3.31Å; N527-L531 WeakPolarHBondContact O-CG 2.91Å; N527-L531 PolarHBondContact O-N 3.23Å; A528-L531 PolarHBondContact O-N 3.05Å; L531-Y533 VanDerWaalsContact C-N 3.32Å; L531-Y533 PolarHBondContact O-N 2.89Å; L531-W534 PolarHBondContact O-N 3.12Å; L531-M535 WeakPolarHBondContact O-CB 3.34Å; L531-M535 PolarHBondContact O-N 3.32Å; L531-H573 HydrophobicContact CD1-CB 3.69Å; L531-H573 HydrophobicContact CD2-CB 3.8Å; L531-H573 HydrophobicContact CG-CB 4.38Å; L531-L574 HydrophobicContact CB-CB 3.95Å; L531-L574 HydrophobicContact CB-CD1 4.24Å; L531-L574 HydrophobicContact CD1-CB 4.45Å
532A98.2Very high96.8Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-63.8-38.1173.500000112.2A528 S536 L574 L613 L614 V619A528-A532 WeakPolarHBondContact O-CB 3.04Å; A528-A532 PolarHBondContact O-N 2.88Å; A532-S536 PolarHBondContact O-N 3.48Å; A532-S536 PolarHBondContact O-OG 3.28Å; A532-L574 HydrophobicContact CB-CD2 4.08Å; A532-L613 HydrophobicContact CB-CD1 4.13Å; A532-L613 HydrophobicContact CB-CD2 4.21Å; A532-L613 HydrophobicContact CB-CG 4.01Å; A532-L614 HydrophobicContact CB-CD2 4.44Å; A532-V619 HydrophobicContact CB-CG2 4.47Å
533Y98.2Very high96.8Very high1 Ų128.1 Ų28.10%0.00414%0.138CC..Hα-helixtrans-62.8-48.4173.6179.9-90.3000112.1V475 P477 L480 K483 S486 S529 M530 L531 S536 N537V475-Y533 HydrophobicContact CG1-CE1 3.8Å; V475-Y533 HydrophobicContact CG1-CE2 4.25Å; P477-Y533 HydrophobicContact CB-CD2 3.71Å; P477-Y533 HydrophobicContact CB-CE2 4.45Å; P477-Y533 HydrophobicContact CB-CG 3.95Å; P477-Y533 HydrophobicContact CG-CD1 4.12Å; P477-Y533 HydrophobicContact CG-CD2 3.8Å; P477-Y533 HydrophobicContact CG-CG 3.57Å; L480-Y533 HydrophobicContact CD1-CE2 3.61Å; K483-Y533 WeakPolarHBondContact O-CD2 3.38Å; K483-Y533 WeakPolarHBondContact O-CE2 3.41Å; S486-Y533 PolarHBondContact N-OH 3.49Å; S486-Y533 PolarHBondContact OG-OH 2.78Å; S529-Y533 WeakPolarHBondContact O-CB 3.29Å; S529-Y533 PolarHBondContact O-N 3Å; M530-Y533 WeakPolarHBondContact O-CB 3.3Å; M530-Y533 PolarHBondContact O-N 2.89Å; L531-Y533 VanDerWaalsContact C-N 3.32Å; L531-Y533 PolarHBondContact O-N 2.89Å; Y533-S536 PolarHBondContact O-N 2.8Å; Y533-S536 PolarHBondContact O-OG 3.3Å; Y533-N537 HydrophobicContact CE1-CB 4.42Å; Y533-N537 WeakPolarHBondContact CE1-ND2 3.42Å; Y533-N537 VanDerWaalsContact CE2-ND2 3.34Å; Y533-N537 WeakPolarHBondContact CE2-ND2 3.31Å; Y533-N537 VanDerWaalsContact CZ-ND2 3.27Å; Y533-N537 WeakPolarHBondContact O-CB 2.96Å; Y533-N537 PolarHBondContact O-N 2.75Å; Y533-N537 PolarHBondContact O-ND2 2.9Å
534W98.3Very high97Very high1 Ų122.6 Ų22.60%0.00411%0.108CC..Hα-helixtrans-72.4-36.2-178.8-81.5113.7000113.2I472 M517 T520 I521 M530 L531 S536 N537 A538I472-W534 HydrophobicContact CB-CH2 3.88Å; I472-W534 HydrophobicContact CB-CZ2 4.15Å; I472-W534 HydrophobicContact CG1-CH2 3.9Å; I472-W534 HydrophobicContact CG2-CH2 3.62Å; I472-W534 HydrophobicContact CG2-CZ2 3.7Å; I472-W534 HydrophobicContact CG2-CZ3 4.31Å; I472-W534 WeakPolarHBondContact O-CZ2 3.5Å; M517-W534 HydrophobicContact CE-CZ3 4.23Å; M517-W534 HydrophobicContact CG-CE3 3.93Å; M517-W534 HydrophobicContact CG-CH2 4.48Å; M517-W534 HydrophobicContact CG-CZ3 3.69Å; M517-W534 HydrophobicContact SD-CZ3 4.31Å; T520-W534 HydrophobicContact CG2-CZ2 4.5Å; I521-W534 HydrophobicContact CD1-CB 4.02Å; I521-W534 HydrophobicContact CG1-CB 3.67Å; I521-W534 HydrophobicContact CG1-CG 3.94Å; M530-W534 VanDerWaalsContact O-CD1 3.32Å; M530-W534 PolarHBondContact O-N 2.68Å; L531-W534 PolarHBondContact O-N 3.12Å; W534-S536 VanDerWaalsContact C-N 3.31Å; W534-S536 PolarHBondContact O-N 3.48Å; W534-N537 HydrophobicContact CE3-CB 4.36Å; W534-N537 HydrophobicContact CZ3-CB 4.35Å; W534-N537 PolarHBondContact O-N 2.95Å; W534-A538 WeakPolarHBondContact O-CB 3.49Å; W534-A538 PolarHBondContact O-N 2.87Å
535M98.3Very high97Very high0 Ų020.8 Ų20.80%010%0.098CC..Hα-helixtrans-58.8-43.5173.6-176.3179.658.100111.4L531 A539 V567 A570 F571 L574 L614 V619 L623L531-M535 WeakPolarHBondContact O-CB 3.34Å; L531-M535 PolarHBondContact O-N 3.32Å; M535-A539 WeakPolarHBondContact O-CB 3.39Å; M535-A539 PolarHBondContact O-N 3.27Å; M535-V567 HydrophobicContact CG-CG1 4.35Å; M535-A570 HydrophobicContact CB-CB 3.82Å; M535-F571 HydrophobicContact SD-CB 3.88Å; M535-F571 HydrophobicContact SD-CD2 3.78Å; M535-F571 HydrophobicContact SD-CG 4.32Å; M535-L574 HydrophobicContact CE-CD2 3.64Å; M535-L574 HydrophobicContact SD-CD2 4.37Å; M535-L614 HydrophobicContact CE-CD2 4.2Å; M535-V619 HydrophobicContact CE-CB 4.25Å; M535-V619 HydrophobicContact CE-CG1 3.47Å; M535-V619 VanDerWaalsContact CE-CG1 3.47Å; M535-V619 HydrophobicContact CE-CG2 3.68Å; M535-L623 HydrophobicContact CG-CD1 4.11Å; M535-L623 HydrophobicContact SD-CD1 4.5Å
536S98.3Very high96.9Very high5 Ų520 Ų204%0.03510%0.098CC..Hα-helixtrans-72-47.3177.852.60000112.7A532 Y533 W534 A539 E540 S617A532-S536 PolarHBondContact O-N 3.48Å; A532-S536 PolarHBondContact O-OG 3.28Å; Y533-S536 PolarHBondContact O-N 2.8Å; Y533-S536 PolarHBondContact O-OG 3.3Å; W534-S536 VanDerWaalsContact C-N 3.31Å; W534-S536 PolarHBondContact O-N 3.48Å; S536-A539 PolarHBondContact O-N 3.05Å; S536-E540 WeakPolarHBondContact O-CB 3.36Å; S536-E540 PolarHBondContact O-N 2.76Å; S536-S617 WeakPolarHBondContact CB-O 3.42Å; S536-S617 PolarHBondContact OG-O 2.75Å; S536-S617 VanDerWaalsContact OG-O 3.05Å
537N98.5Very high96.8Very high0 Ų014.4 Ų14.40%08%0.078CC..Hα-helixtrans-67.8-41-178.9-81.3-93.7000112.7K483 L484 S486 A487 Y533 W534 T541K483-N537 PolarHBondContact O-ND2 3.48Å; L484-N537 VanDerWaalsContact CA-OD1 3.3Å; L484-N537 WeakPolarHBondContact CA-OD1 3.26Å; L484-N537 PolarHBondContact O-OD1 2.88Å; S486-N537 WeakPolarHBondContact CB-OD1 3.09Å; S486-N537 PolarHBondContact N-OD1 3.42Å; A487-N537 HydrophobicContact CB-CB 4.32Å; A487-N537 WeakPolarHBondContact CB-O 3.44Å; A487-N537 PolarHBondContact N-OD1 2.94Å; Y533-N537 HydrophobicContact CE1-CB 4.42Å; Y533-N537 WeakPolarHBondContact CE1-ND2 3.42Å; Y533-N537 VanDerWaalsContact CE2-ND2 3.34Å; Y533-N537 WeakPolarHBondContact CE2-ND2 3.31Å; Y533-N537 VanDerWaalsContact CZ-ND2 3.27Å; Y533-N537 WeakPolarHBondContact O-CB 2.96Å; Y533-N537 PolarHBondContact O-N 2.75Å; Y533-N537 PolarHBondContact O-ND2 2.9Å; W534-N537 HydrophobicContact CE3-CB 4.36Å; W534-N537 HydrophobicContact CZ3-CB 4.35Å; W534-N537 PolarHBondContact O-N 2.95Å; N537-T541 VanDerWaalsContact O-CB 3.3Å; N537-T541 WeakPolarHBondContact O-CB 3.46Å; N537-T541 PolarHBondContact O-N 3.2Å; N537-T541 PolarHBondContact O-OG1 3.22Å
538A98.6Very high96.8Very high0 Ų011.3 Ų11.30%06%0.061CC..Hα-helixtrans-65.2-40.9176.300000111M517 W534 T541 L542 I563 A566 V567M517-A538 HydrophobicContact SD-CB 4.23Å; W534-A538 WeakPolarHBondContact O-CB 3.49Å; W534-A538 PolarHBondContact O-N 2.87Å; A538-T541 PolarHBondContact O-N 2.98Å; A538-L542 WeakPolarHBondContact O-CB 3.4Å; A538-L542 PolarHBondContact O-N 3.34Å; A538-I563 HydrophobicContact CB-CG2 4.09Å; A538-I563 WeakPolarHBondContact O-CG2 3.28Å; A538-A566 HydrophobicContact CB-CB 4.43Å; A538-V567 HydrophobicContact CB-CG2 3.58Å
539A98.5Very high96.5Very high1 Ų113.2 Ų13.21%0.0087%0.071CC..Hα-helixtrans-65.4-44.8178.400000111.9M535 S536 L542 N543 V567 L623 Y780M535-A539 WeakPolarHBondContact O-CB 3.39Å; M535-A539 PolarHBondContact O-N 3.27Å; S536-A539 PolarHBondContact O-N 3.05Å; A539-L542 PolarHBondContact O-N 2.94Å; A539-N543 WeakPolarHBondContact O-CB 3.08Å; A539-N543 PolarHBondContact O-N 3.38Å; A539-V567 HydrophobicContact CB-CG1 4.16Å; A539-V567 HydrophobicContact CB-CG2 3.97Å; A539-V567 VanDerWaalsContact N-CG2 3.35Å; A539-L623 HydrophobicContact CB-CD1 4.16Å; A539-Y780 HydrophobicContact CB-CE1 3.94Å; A539-Y780 WeakPolarHBondContact O-CE1 3.48Å
540E97.8Very high96.3Very high7 Ų713.9 Ų13.93%0.0337%0.072CC..Hα-helixtrans-67-38.2176.4-17183.4-140.200111.2A487 Y488 S536 L542 N543 F544 Y780 S781 S782A487-E540 HydrophobicContact CB-CB 3.89Å; A487-E540 HydrophobicContact CB-CG 4.07Å; Y488-E540 HydrophobicContact CE2-CG 4.15Å; S536-E540 WeakPolarHBondContact O-CB 3.36Å; S536-E540 PolarHBondContact O-N 2.76Å; E540-L542 PolarHBondContact O-N 2.95Å; E540-N543 WeakPolarHBondContact O-CB 3.24Å; E540-N543 PolarHBondContact O-N 3.29Å; E540-F544 HydrophobicContact CG-CD2 4.05Å; E540-F544 HydrophobicContact CG-CE2 3.65Å; E540-F544 HydrophobicContact CG-CZ 4.44Å; E540-F544 WeakPolarHBondContact O-CD2 3.23Å; E540-F544 PolarHBondContact O-N 3.41Å; E540-Y780 HydrophobicContact CB-CD1 4.3Å; E540-S781 PolarHBondContact OE1-N 2.9Å; E540-S781 PolarHBondContact OE1-OG 2.87Å; E540-S781 PolarHBondContact OE2-N 3.42Å; E540-S781 PolarHBondContact OE2-OG 3.33Å; E540-S782 WeakPolarHBondContact OE1-CB 3.21Å; E540-S782 PolarHBondContact OE1-N 3.36Å; E540-S782 VanDerWaalsContact OE1-N 3.16Å; E540-S782 PolarHBondContact OE1-OG 3.2Å
541T97.6Very high96Very high3 Ų312.7 Ų12.72%0.0187%0.066CC..Hα-helixtrans-60.9-45.9174.4-55.80000111.2A487 L490 M517 N537 A538 N543 F544 I545 I563A487-T541 VanDerWaalsContact CA-OG1 3.28Å; A487-T541 WeakPolarHBondContact CA-OG1 3.37Å; A487-T541 WeakPolarHBondContact CB-OG1 3.44Å; L490-T541 HydrophobicContact CB-CG2 4.33Å; L490-T541 HydrophobicContact CD1-CG2 4.2Å; M517-T541 HydrophobicContact CE-CG2 4.44Å; N537-T541 VanDerWaalsContact O-CB 3.3Å; N537-T541 WeakPolarHBondContact O-CB 3.46Å; N537-T541 PolarHBondContact O-N 3.2Å; N537-T541 PolarHBondContact O-OG1 3.22Å; A538-T541 PolarHBondContact O-N 2.98Å; T541-N543 VanDerWaalsContact C-N 3.32Å; T541-N543 PolarHBondContact O-N 3.42Å; T541-F544 PolarHBondContact O-N 3.43Å; T541-I545 HydrophobicContact CG2-CD1 3.95Å; T541-I545 WeakPolarHBondContact O-CG1 3.45Å; T541-I545 PolarHBondContact O-N 2.98Å; T541-I563 HydrophobicContact CG2-CD1 4.14Å
542L97.8Very high95.7Very high2 Ų214.7 Ų14.71%0.018%0.08CC..Hα-helixtrans-62-42177-175.759.3000111.4A538 A539 E540 I545 K546 Q560 I563 A564 I775A538-L542 WeakPolarHBondContact O-CB 3.4Å; A538-L542 PolarHBondContact O-N 3.34Å; A539-L542 PolarHBondContact O-N 2.94Å; E540-L542 PolarHBondContact O-N 2.95Å; L542-I545 PolarHBondContact O-N 2.86Å; L542-K546 HydrophobicContact CD1-CD 4.35Å; L542-K546 HydrophobicContact CD1-CG 4.29Å; L542-K546 HydrophobicContact CG-CD 4.14Å; L542-K546 HydrophobicContact CG-CG 4.47Å; L542-K546 WeakPolarHBondContact O-CB 3.3Å; L542-K546 WeakPolarHBondContact O-CG 3.35Å; L542-K546 PolarHBondContact O-N 3.25Å; L542-Q560 HydrophobicContact CD1-CB 3.84Å; L542-Q560 HydrophobicContact CD1-CG 4.31Å; L542-Q560 WeakPolarHBondContact CD1-O 3.34Å; L542-I563 HydrophobicContact CB-CG2 3.81Å; L542-I563 HydrophobicContact CD1-CB 4.48Å; L542-A564 HydrophobicContact CD2-CB 3.81Å; L542-I775 HydrophobicContact CD2-CD1 3.82Å; L542-I775 HydrophobicContact CD2-CG2 4.35Å
543N95.7Very high95.2Very high9 Ų918.9 Ų18.95%0.04811%0.109CC..Hα-helixtrans-59.2-48176.1-175.960.1000111.6A539 E540 T541 I545 K546 L547 Y780 S782A539-N543 WeakPolarHBondContact O-CB 3.08Å; A539-N543 PolarHBondContact O-N 3.38Å; E540-N543 WeakPolarHBondContact O-CB 3.24Å; E540-N543 PolarHBondContact O-N 3.29Å; T541-N543 VanDerWaalsContact C-N 3.32Å; T541-N543 PolarHBondContact O-N 3.42Å; N543-I545 PolarHBondContact O-N 2.98Å; N543-K546 PolarHBondContact O-N 3.47Å; N543-L547 WeakPolarHBondContact O-CB 3.44Å; N543-L547 WeakPolarHBondContact O-CG 3.49Å; N543-L547 PolarHBondContact O-N 3.09Å; N543-L547 VanDerWaalsContact OD1-CD1 3.23Å; N543-L547 WeakPolarHBondContact OD1-CD1 3.25Å; N543-Y780 HydrophobicContact CB-CD1 3.93Å; N543-Y780 HydrophobicContact CB-CD2 3.82Å; N543-Y780 HydrophobicContact CB-CE1 3.97Å; N543-Y780 HydrophobicContact CB-CE2 3.86Å; N543-Y780 HydrophobicContact CB-CG 3.84Å; N543-Y780 WeakPolarHBondContact ND2-CB 3.18Å; N543-Y780 WeakPolarHBondContact OD1-CD2 3.32Å; N543-S782 PolarHBondContact ND2-OG 3.28Å
544F95.4Very high94.6Very high1 Ų122.5 Ų22.50%0.00413%0.125CC..Hα-helixtrans-55.9-48.3175.5-82.4-55.5000112.8Y488 Y491 E540 T541 K546 D548 S782 W817 F821Y488-F544 HydrophobicContact CD1-CE2 4.48Å; Y488-F544 HydrophobicContact CD1-CZ 4.12Å; Y488-F544 AromaticContact CD2-CE2 3.86Å; Y488-F544 HydrophobicContact CD2-CE2 3.86Å; Y488-F544 HydrophobicContact CD2-CZ 4.15Å; Y488-F544 HydrophobicContact CE1-CE2 4.5Å; Y488-F544 AromaticContact CE1-CZ 3.84Å; Y488-F544 HydrophobicContact CE1-CZ 3.84Å; Y488-F544 AromaticContact CE2-CE2 3.87Å; Y488-F544 HydrophobicContact CE2-CE2 3.87Å; Y488-F544 AromaticContact CE2-CZ 3.88Å; Y488-F544 HydrophobicContact CE2-CZ 3.88Å; Y488-F544 HydrophobicContact CG-CE2 4.19Å; Y488-F544 HydrophobicContact CG-CZ 4.28Å; Y488-F544 AromaticContact CZ-CZ 3.72Å; Y491-F544 AromaticContact CD1-CD1 3.44Å; Y491-F544 HydrophobicContact CD1-CD1 3.44Å; Y491-F544 VanDerWaalsContact CD1-CD1 3.44Å; Y491-F544 HydrophobicContact CD1-CD2 4.36Å; Y491-F544 AromaticContact CD1-CE1 3.47Å; Y491-F544 HydrophobicContact CD1-CE1 3.47Å; Y491-F544 VanDerWaalsContact CD1-CE1 3.47Å; Y491-F544 HydrophobicContact CD1-CE2 4.37Å; Y491-F544 AromaticContact CD1-CG 3.93Å; Y491-F544 HydrophobicContact CD1-CG 3.93Å; Y491-F544 AromaticContact CD1-CZ 3.97Å; Y491-F544 HydrophobicContact CD1-CZ 3.97Å; Y491-F544 HydrophobicContact CD2-CB 3.61Å; Y491-F544 AromaticContact CD2-CD1 3.77Å; Y491-F544 HydrophobicContact CD2-CD1 3.77Å; Y491-F544 AromaticContact CD2-CG 3.79Å; Y491-F544 HydrophobicContact CD2-CG 3.79Å; Y491-F544 AromaticContact CE1-CD1 3.58Å; Y491-F544 HydrophobicContact CE1-CD1 3.58Å; Y491-F544 AromaticContact CE1-CE1 3.62Å; Y491-F544 HydrophobicContact CE1-CE1 3.62Å; Y491-F544 HydrophobicContact CE1-CG 4.45Å; Y491-F544 HydrophobicContact CE1-CZ 4.49Å; Y491-F544 HydrophobicContact CE2-CB 4.17Å; Y491-F544 AromaticContact CE2-CD1 3.91Å; Y491-F544 HydrophobicContact CE2-CD1 3.91Å; Y491-F544 HydrophobicContact CE2-CG 4.33Å; Y491-F544 HydrophobicContact CG-CB 3.86Å; Y491-F544 AromaticContact CG-CD1 3.51Å; Y491-F544 HydrophobicContact CG-CD1 3.51Å; Y491-F544 HydrophobicContact CG-CD2 4.01Å; Y491-F544 HydrophobicContact CG-CE1 4Å; Y491-F544 HydrophobicContact CG-CE2 4.43Å; Y491-F544 AromaticContact CG-CG 3.54Å; Y491-F544 HydrophobicContact CG-CG 3.54Å; Y491-F544 HydrophobicContact CG-CZ 4.43Å; Y491-F544 AromaticContact CZ-CD1 3.8Å; E540-F544 HydrophobicContact CG-CD2 4.05Å; E540-F544 HydrophobicContact CG-CE2 3.65Å; E540-F544 HydrophobicContact CG-CZ 4.44Å; E540-F544 WeakPolarHBondContact O-CD2 3.23Å; E540-F544 PolarHBondContact O-N 3.41Å; T541-F544 PolarHBondContact O-N 3.43Å; F544-K546 VanDerWaalsContact C-N 3.35Å; F544-K546 PolarHBondContact O-N 2.8Å; F544-D548 WeakPolarHBondContact O-CB 3.45Å; F544-D548 PolarHBondContact O-N 3.01Å; F544-D548 VanDerWaalsContact O-N 3.09Å; F544-S782 VanDerWaalsContact CE1-CB 3.42Å; F544-W817 HydrophobicContact CE1-CB 4.42Å; F544-F821 AromaticContact CD1-CE1 3.95Å; F544-F821 HydrophobicContact CD1-CE1 3.95Å; F544-F821 AromaticContact CD1-CZ 3.59Å; F544-F821 HydrophobicContact CD1-CZ 3.59Å; F544-F821 HydrophobicContact CE1-CE1 4.49Å; F544-F821 AromaticContact CE1-CZ 3.91Å; F544-F821 HydrophobicContact CE1-CZ 3.91Å
545I94.4Very high93.9Very high3 Ų323 Ų232%0.01513%0.128CC..Hα-helixtrans-63.9-42.1-179.1-66.2164.1000110.8L510 T541 L542 N543 V551 S552 Q560 I563L510-I545 HydrophobicContact CD1-CD1 4.03Å; L510-I545 HydrophobicContact CD1-CG1 4.28Å; L510-I545 HydrophobicContact CD2-CD1 3.84Å; L510-I545 HydrophobicContact CD2-CG1 4.5Å; T541-I545 HydrophobicContact CG2-CD1 3.95Å; T541-I545 WeakPolarHBondContact O-CG1 3.45Å; T541-I545 PolarHBondContact O-N 2.98Å; L542-I545 PolarHBondContact O-N 2.86Å; N543-I545 PolarHBondContact O-N 2.98Å; I545-V551 HydrophobicContact CB-CG1 4.36Å; I545-V551 HydrophobicContact CG1-CG1 4.23Å; I545-V551 HydrophobicContact CG2-CG1 4.13Å; I545-S552 WeakPolarHBondContact O-CA 3.43Å; I545-S552 WeakPolarHBondContact O-CB 3.34Å; I545-S552 PolarHBondContact O-N 3.44Å; I545-Q560 HydrophobicContact CG2-CG 3.61Å; I545-I563 HydrophobicContact CD1-CD1 3.58Å
546K93.7Very high93.2Very high87 Ų8724.4 Ų24.438%0.37814%0.138SC..Hα-helixtrans-68.5-43.8-178.3-77-179.8175.5-1800112.6L542 N543 F544 S552L542-K546 HydrophobicContact CD1-CD 4.35Å; L542-K546 HydrophobicContact CD1-CG 4.29Å; L542-K546 HydrophobicContact CG-CD 4.14Å; L542-K546 HydrophobicContact CG-CG 4.47Å; L542-K546 WeakPolarHBondContact O-CB 3.3Å; L542-K546 WeakPolarHBondContact O-CG 3.35Å; L542-K546 PolarHBondContact O-N 3.25Å; N543-K546 PolarHBondContact O-N 3.47Å; F544-K546 VanDerWaalsContact C-N 3.35Å; F544-K546 PolarHBondContact O-N 2.8Å; K546-S552 PolarHBondContact O-OG 3.26Å
547L92.4Very high92.6Very high34 Ų3426.5 Ų26.518%0.17815%0.151CC..Hα-helixtrans-83.7-30.8-171.6-67.9-177.2000113.5N543 V549 F821 V822N543-L547 WeakPolarHBondContact O-CB 3.44Å; N543-L547 WeakPolarHBondContact O-CG 3.49Å; N543-L547 PolarHBondContact O-N 3.09Å; N543-L547 VanDerWaalsContact OD1-CD1 3.23Å; N543-L547 WeakPolarHBondContact OD1-CD1 3.25Å; L547-V549 PolarHBondContact O-N 3.37Å; L547-F821 HydrophobicContact CB-CB 4.14Å; L547-F821 HydrophobicContact CB-CD1 3.82Å; L547-F821 HydrophobicContact CB-CD2 3.72Å; L547-F821 HydrophobicContact CB-CE1 4.09Å; L547-F821 HydrophobicContact CB-CE2 4Å; L547-F821 HydrophobicContact CB-CG 3.64Å; L547-F821 HydrophobicContact CB-CZ 4.17Å; L547-F821 HydrophobicContact CD1-CD2 3.63Å; L547-F821 HydrophobicContact CD1-CE2 3.66Å; L547-F821 HydrophobicContact CD1-CG 4.39Å; L547-F821 HydrophobicContact CD1-CZ 4.43Å; L547-F821 HydrophobicContact CG-CD2 4.33Å; L547-F821 CarbonylContact O-C 3.48Å; L547-F821 WeakPolarHBondContact O-CA 2.95Å; L547-V822 WeakPolarHBondContact O-CG2 3.32Å; L547-V822 PolarHBondContact O-N 3.26Å
548D93Very high92.1Very high0 Ų031 Ų310%017%0.172CC..BIsolated β-bridgetrans-69.5120.5175.8-178.5-51.7000111Y491 R495 F544 D550 V551 S552 H820 F821Y491-D548 HydrophobicContact CE2-CB 4.05Å; Y491-D548 PolarHBondContact OH-OD2 3.37Å; R495-D548 WeakPolarHBondContact CD-OD2 3.1Å; R495-D548 IonicContact CZ-OD2 2.78Å; R495-D548 IonicContact NE-OD2 3.93Å; R495-D548 IonicContact NH1-OD1 2.73Å; R495-D548 PolarHBondContact NH1-OD1 2.86Å; R495-D548 VanDerWaalsContact NH1-OD1 3.16Å; R495-D548 IonicContact NH1-OD2 3.21Å; R495-D548 PolarHBondContact NH1-OD2 2.89Å; F544-D548 WeakPolarHBondContact O-CB 3.45Å; F544-D548 PolarHBondContact O-N 3.01Å; F544-D548 VanDerWaalsContact O-N 3.09Å; D548-D550 VanDerWaalsContact C-N 3.32Å; D548-D550 PolarHBondContact O-N 3.48Å; D548-D550 WeakPolarHBondContact OD1-CA 3.27Å; D548-D550 PolarHBondContact OD1-N 3.35Å; D548-V551 HydrophobicContact CB-CB 3.97Å; D548-V551 HydrophobicContact CB-CG2 3.99Å; D548-V551 PolarHBondContact O-N 3.43Å; D548-V551 PolarHBondContact OD1-N 3.35Å; D548-S552 WeakPolarHBondContact O-CB 3.36Å; D548-S552 PolarHBondContact O-N 2.87Å; D548-H820 WeakPolarHBondContact CA-O 3.37Å; D548-H820 VanDerWaalsContact OD2-CB 3.26Å; D548-H820 WeakPolarHBondContact OD2-CB 3.47Å; D548-H820 IonicContact OD2-CG 2.76Å; D548-F821 HydrophobicContact CB-CD1 4.34Å; D548-F821 HydrophobicContact CB-CE1 4.45Å
549V91.1Very high91.6Very high60 Ų6031 Ų3136%0.36417%0.172SC..Hα-helixtrans-58.7-41.1-174.9177.80000112.3L547 S553 H820 V822L547-V549 PolarHBondContact O-N 3.37Å; V549-S553 VanDerWaalsContact O-CB 3.27Å; V549-S553 WeakPolarHBondContact O-CB 3.44Å; V549-S553 PolarHBondContact O-N 2.65Å; V549-S553 PolarHBondContact O-OG 3.49Å; V549-H820 WeakPolarHBondContact CG2-O 3.48Å; V549-H820 PolarHBondContact N-O 2.83Å; V549-V822 HydrophobicContact CG2-CB 4.35Å; V549-V822 HydrophobicContact CG2-CG2 3.76Å
550D90.6Very high91.3Very high52 Ų5232.7 Ų32.728%0.27818%0.18SC..Hα-helixtrans-79.7-43.4-176.9-63.2-56.5000111.4R495 V498 D548 S553 K554R495-D550 IonicContact CZ-OD2 3.27Å; R495-D550 IonicContact NH1-OD2 3.43Å; R495-D550 PolarHBondContact NH1-OD2 2.96Å; R495-D550 IonicContact NH2-OD2 2.98Å; V498-D550 HydrophobicContact CG1-CB 3.52Å; V498-D550 HydrophobicContact CG2-CB 4.18Å; D548-D550 VanDerWaalsContact C-N 3.32Å; D548-D550 PolarHBondContact O-N 3.48Å; D548-D550 WeakPolarHBondContact OD1-CA 3.27Å; D548-D550 PolarHBondContact OD1-N 3.35Å; D550-S553 PolarHBondContact O-OG 3.42Å; D550-K554 VanDerWaalsContact O-CB 3.23Å; D550-K554 WeakPolarHBondContact O-CB 3.12Å; D550-K554 WeakPolarHBondContact O-CD 3.44Å; D550-K554 VanDerWaalsContact O-CG 3.25Å; D550-K554 WeakPolarHBondContact O-CG 3.49Å; D550-K554 PolarHBondContact O-N 3.46Å; D550-K554 VanDerWaalsContact O-N 3.08Å
551V90.8Very high91.1Very high0 Ų038.2 Ų38.20%021%0.206CC..Hα-helixtrans-65.4-50-179.3-179.70000109V498 M506 I545 D548 S553 K554 T555V498-V551 HydrophobicContact CG2-CG2 3.85Å; M506-V551 HydrophobicContact CE-CG1 4.5Å; M506-V551 HydrophobicContact SD-CG1 4.04Å; M506-V551 HydrophobicContact SD-CG2 4.33Å; I545-V551 HydrophobicContact CB-CG1 4.36Å; I545-V551 HydrophobicContact CG1-CG1 4.23Å; I545-V551 HydrophobicContact CG2-CG1 4.13Å; D548-V551 HydrophobicContact CB-CB 3.97Å; D548-V551 HydrophobicContact CB-CG2 3.99Å; D548-V551 PolarHBondContact O-N 3.43Å; D548-V551 PolarHBondContact OD1-N 3.35Å; V551-S553 VanDerWaalsContact C-N 3.33Å; V551-S553 PolarHBondContact O-N 2.95Å; V551-K554 PolarHBondContact O-N 3.19Å; V551-T555 WeakPolarHBondContact O-CB 3.17Å; V551-T555 PolarHBondContact O-N 3.4Å; V551-T555 PolarHBondContact O-OG1 2.85Å
552S92Very high91Very high43 Ų4340.1 Ų40.130%0.30122%0.219SC..Hα-helixtrans-57.3-43.2179.1-168.10000112.6I545 K546 D548I545-S552 WeakPolarHBondContact O-CA 3.43Å; I545-S552 WeakPolarHBondContact O-CB 3.34Å; I545-S552 PolarHBondContact O-N 3.44Å; K546-S552 PolarHBondContact O-OG 3.26Å; D548-S552 WeakPolarHBondContact O-CB 3.36Å; D548-S552 PolarHBondContact O-N 2.87Å
553S88.6Confident91Very high87 Ų8740 Ų4061%0.60822%0.219SC*.Hα-helixtrans-75.9-24.5-178.460.90000114.4V549 D550 V551V549-S553 VanDerWaalsContact O-CB 3.27Å; V549-S553 WeakPolarHBondContact O-CB 3.44Å; V549-S553 PolarHBondContact O-N 2.65Å; V549-S553 PolarHBondContact O-OG 3.49Å; D550-S553 PolarHBondContact O-OG 3.42Å; V551-S553 VanDerWaalsContact C-N 3.33Å; V551-S553 PolarHBondContact O-N 2.95Å
554K85.1Confident91.1Very high77 Ų7740.8 Ų40.834%0.33523%0.227SC..Hα-helixtrans-99.1-15.7-177.9-67.9170.7178.5171.70113.5V498 M506 C507 D550 V551V498-K554 HydrophobicContact CG2-CD 4.47Å; M506-K554 HydrophobicContact CE-CB 3.74Å; C507-K554 PolarHBondContact SG-O 2.84Å; D550-K554 VanDerWaalsContact O-CB 3.23Å; D550-K554 WeakPolarHBondContact O-CB 3.12Å; D550-K554 WeakPolarHBondContact O-CD 3.44Å; D550-K554 VanDerWaalsContact O-CG 3.25Å; D550-K554 WeakPolarHBondContact O-CG 3.49Å; D550-K554 PolarHBondContact O-N 3.46Å; D550-K554 VanDerWaalsContact O-N 3.08Å; V551-K554 PolarHBondContact O-N 3.19Å
555T84.4Confident91.2Very high12 Ų1243.4 Ų43.47%0.07424%0.241CC..SBendtrans-90139176.6-55.10000111.4M506 L510 V551 P559M506-T555 WeakPolarHBondContact CE-OG1 3.26Å; L510-T555 HydrophobicContact CD1-CG2 3.76Å; V551-T555 WeakPolarHBondContact O-CB 3.17Å; V551-T555 PolarHBondContact O-N 3.4Å; V551-T555 PolarHBondContact O-OG1 2.85Å; T555-P559 HydrophobicContact CG2-CB 4.4Å; T555-P559 HydrophobicContact CG2-CG 4.05Å
556S82Confident91.4Very high30 Ų3043.3 Ų43.321%0.2124%0.24CC..  trans-64.6162.117053.70000111.3E558 P559S556-E558 VanDerWaalsContact C-N 3.33Å; S556-E558 PolarHBondContact O-N 2.97Å; S556-P559 VanDerWaalsContact O-CD 3.29Å; S556-P559 WeakPolarHBondContact O-CD 3.45Å; S556-P559 WeakPolarHBondContact OG-CD 2.92Å
557P87.2Confident91.6Very high49 Ų4939.1 Ų39.132%0.31822%0.222SC..Hα-helixtrans-69.6-27.1178.825.1-33.8000113.9Q560 E561P557-Q560 WeakPolarHBondContact O-CB 3.4Å; P557-Q560 PolarHBondContact O-N 3.36Å; P557-E561 PolarHBondContact O-N 3.47Å
558E86.6Confident91.9Very high94 Ų9441.4 Ų41.444%0.43923%0.231SC..Hα-helixtrans-58-44-171.3-54.9163.8164.100114.4S556 Q560 E561 S562S556-E558 VanDerWaalsContact C-N 3.33Å; S556-E558 PolarHBondContact O-N 2.97Å; E558-Q560 VanDerWaalsContact C-N 3.33Å; E558-Q560 PolarHBondContact O-N 3.21Å; E558-E561 PolarHBondContact O-N 3.28Å; E558-S562 WeakPolarHBondContact O-CB 3.49Å; E558-S562 PolarHBondContact O-N 3.33Å; E558-S562 PolarHBondContact O-OG 3.34Å
559P89Confident92.2Very high0 Ų045 Ų450%025%0.247CC..Hα-helixtrans-63.1-37.7174.4-21.934.7000112.6L510 S511 T555 S556 S562 I563L510-P559 HydrophobicContact CB-CB 3.89Å; L510-P559 HydrophobicContact CB-CG 4.27Å; S511-P559 WeakPolarHBondContact OG-CG 3.38Å; T555-P559 HydrophobicContact CG2-CB 4.4Å; T555-P559 HydrophobicContact CG2-CG 4.05Å; S556-P559 VanDerWaalsContact O-CD 3.29Å; S556-P559 WeakPolarHBondContact O-CD 3.45Å; S556-P559 WeakPolarHBondContact OG-CD 2.92Å; P559-S562 PolarHBondContact O-N 3.05Å; P559-I563 WeakPolarHBondContact O-CB 3.21Å; P559-I563 WeakPolarHBondContact O-CD1 3.48Å; P559-I563 WeakPolarHBondContact O-CG1 3.36Å; P559-I563 PolarHBondContact O-N 3.28Å
560Q92.3Very high92.5Very high36 Ų3642.2 Ų42.217%0.16823%0.23CC..Hα-helixtrans-66.6-43.4179.7-62.5-174.83300111.2L542 I545 P557 E558 I563 A564L542-Q560 HydrophobicContact CD1-CB 3.84Å; L542-Q560 HydrophobicContact CD1-CG 4.31Å; L542-Q560 WeakPolarHBondContact CD1-O 3.34Å; I545-Q560 HydrophobicContact CG2-CG 3.61Å; P557-Q560 WeakPolarHBondContact O-CB 3.4Å; P557-Q560 PolarHBondContact O-N 3.36Å; E558-Q560 VanDerWaalsContact C-N 3.33Å; E558-Q560 PolarHBondContact O-N 3.21Å; Q560-I563 PolarHBondContact O-N 3.42Å; Q560-A564 WeakPolarHBondContact O-CB 3.45Å; Q560-A564 PolarHBondContact O-N 3.15Å
561E93.9Very high92.9Very high124 Ų12440.1 Ų40.158%0.57922%0.219SC*.Hα-helixtrans-63.3-42.9174.8-68.5177.3-177.100111.3P557 E558 A564 D565P557-E561 PolarHBondContact O-N 3.47Å; E558-E561 PolarHBondContact O-N 3.28Å; E561-A564 WeakPolarHBondContact O-CB 3.43Å; E561-A564 PolarHBondContact O-N 3.35Å; E561-D565 PolarHBondContact O-N 3.46Å
562S95.1Very high93.2Very high43 Ų4343.9 Ų43.930%0.30124%0.239SC..Hα-helixtrans-67.2-38.1178.5-59.20000112.7E558 P559 D565 A566E558-S562 WeakPolarHBondContact O-CB 3.49Å; E558-S562 PolarHBondContact O-N 3.33Å; E558-S562 PolarHBondContact O-OG 3.34Å; P559-S562 PolarHBondContact O-N 3.05Å; S562-D565 PolarHBondContact O-N 2.89Å; S562-A566 PolarHBondContact O-N 3.17Å
563I97.7Very high93.5Very high0 Ų044 Ų440%023%0.234CC..Hα-helixtrans-69.1-39173.9-65.9164.6000110A514 M517 A538 T541 L542 I545 P559 Q560 D565 A566 V567A514-I563 HydrophobicContact CB-CG1 3.74Å; M517-I563 HydrophobicContact SD-CG1 4.36Å; A538-I563 HydrophobicContact CB-CG2 4.09Å; A538-I563 WeakPolarHBondContact O-CG2 3.28Å; T541-I563 HydrophobicContact CG2-CD1 4.14Å; L542-I563 HydrophobicContact CB-CG2 3.81Å; L542-I563 HydrophobicContact CD1-CB 4.48Å; I545-I563 HydrophobicContact CD1-CD1 3.58Å; P559-I563 WeakPolarHBondContact O-CB 3.21Å; P559-I563 WeakPolarHBondContact O-CD1 3.48Å; P559-I563 WeakPolarHBondContact O-CG1 3.36Å; P559-I563 PolarHBondContact O-N 3.28Å; Q560-I563 PolarHBondContact O-N 3.42Å; I563-D565 VanDerWaalsContact C-N 3.34Å; I563-D565 PolarHBondContact O-N 2.8Å; I563-A566 WeakPolarHBondContact O-CA 3.34Å; I563-A566 WeakPolarHBondContact O-CB 3.5Å; I563-A566 PolarHBondContact O-N 2.89Å; I563-A566 VanDerWaalsContact O-N 3.13Å; I563-V567 WeakPolarHBondContact O-CG2 3.24Å; I563-V567 PolarHBondContact O-N 2.83Å
564A97.9Very high94Very high25 Ų2539.9 Ų39.921%0.20721%0.205CC..Hα-helixtrans-60-43.7173.900000111.9L542 Q560 E561 A566 V567 Q568 I775L542-A564 HydrophobicContact CD2-CB 3.81Å; Q560-A564 WeakPolarHBondContact O-CB 3.45Å; Q560-A564 PolarHBondContact O-N 3.15Å; E561-A564 WeakPolarHBondContact O-CB 3.43Å; E561-A564 PolarHBondContact O-N 3.35Å; A564-A566 VanDerWaalsContact C-N 3.32Å; A564-A566 PolarHBondContact O-N 2.99Å; A564-V567 WeakPolarHBondContact O-CB 3.38Å; A564-V567 PolarHBondContact O-N 3.2Å; A564-Q568 PolarHBondContact O-N 3.18Å; A564-Q568 VanDerWaalsContact O-N 3.08Å; A564-I775 HydrophobicContact CB-CD1 3.58Å
565D97.3Very high94.6Very high56 Ų5636.5 Ų36.530%0.29919%0.192SC..Hα-helixtrans-61.3-38.6172.4-179.750.8000111.8L518 E561 S562 I563 V567 Q568 K569L518-D565 WeakPolarHBondContact CD2-OD2 3.43Å; E561-D565 PolarHBondContact O-N 3.46Å; S562-D565 PolarHBondContact O-N 2.89Å; I563-D565 VanDerWaalsContact C-N 3.34Å; I563-D565 PolarHBondContact O-N 2.8Å; D565-V567 PolarHBondContact O-N 2.88Å; D565-Q568 PolarHBondContact O-N 3.41Å; D565-K569 WeakPolarHBondContact O-CB 3.04Å; D565-K569 WeakPolarHBondContact O-CG 3.47Å; D565-K569 PolarHBondContact O-N 3.35Å; D565-K569 WeakPolarHBondContact OD1-CE 3.5Å; D565-K569 IonicContact OD1-NZ 3.75Å; D565-K569 VanDerWaalsContact OD2-CE 3.26Å; D565-K569 WeakPolarHBondContact OD2-CE 3.42Å; D565-K569 IonicContact OD2-NZ 2.66Å; D565-K569 PolarHBondContact OD2-NZ 2.88Å
566A98.3Very high95.3Very high0 Ų038.7 Ų38.70%021%0.212CC..Hα-helixtrans-61.8-41.9173.800000112.3M517 L518 I521 A538 S562 I563 A564 A570M517-A566 HydrophobicContact CB-CB 4.26Å; L518-A566 HydrophobicContact CD2-CB 3.84Å; L518-A566 HydrophobicContact CG-CB 4.11Å; I521-A566 HydrophobicContact CD1-CB 3.79Å; I521-A566 WeakPolarHBondContact CD1-O 3.28Å; A538-A566 HydrophobicContact CB-CB 4.43Å; S562-A566 PolarHBondContact O-N 3.17Å; I563-A566 WeakPolarHBondContact O-CA 3.34Å; I563-A566 WeakPolarHBondContact O-CB 3.5Å; I563-A566 PolarHBondContact O-N 2.89Å; I563-A566 VanDerWaalsContact O-N 3.13Å; A564-A566 VanDerWaalsContact C-N 3.32Å; A564-A566 PolarHBondContact O-N 2.99Å; A566-A570 VanDerWaalsContact O-CB 3.28Å; A566-A570 WeakPolarHBondContact O-CB 3.38Å; A566-A570 PolarHBondContact O-N 3.09Å
567V98.6Very high96Very high0 Ų037.5 Ų37.50%020%0.203CC..Hα-helixtrans-60.1-47.3174.7-178.80000110.6M535 A538 A539 I563 A564 D565 A570 F571 L623 F773 I775M535-V567 HydrophobicContact CG-CG1 4.35Å; A538-V567 HydrophobicContact CB-CG2 3.58Å; A539-V567 HydrophobicContact CB-CG1 4.16Å; A539-V567 HydrophobicContact CB-CG2 3.97Å; A539-V567 VanDerWaalsContact N-CG2 3.35Å; I563-V567 WeakPolarHBondContact O-CG2 3.24Å; I563-V567 PolarHBondContact O-N 2.83Å; A564-V567 WeakPolarHBondContact O-CB 3.38Å; A564-V567 PolarHBondContact O-N 3.2Å; D565-V567 PolarHBondContact O-N 2.88Å; V567-A570 PolarHBondContact O-N 3.3Å; V567-F571 PolarHBondContact O-N 3.04Å; V567-L623 HydrophobicContact CG1-CD1 4.47Å; V567-F773 HydrophobicContact CG1-CE1 4.15Å; V567-F773 HydrophobicContact CG1-CZ 3.87Å; V567-I775 HydrophobicContact CB-CD1 4.28Å; V567-I775 HydrophobicContact CG1-CG1 4.35Å
568Q98.4Very high96.6Very high81 Ų8135.5 Ų35.538%0.37919%0.19SC..Hα-helixtrans-65-47.6-179-175.91705.100112.1A564 D565 A570 F571 D572 F773A564-Q568 PolarHBondContact O-N 3.18Å; A564-Q568 VanDerWaalsContact O-N 3.08Å; D565-Q568 PolarHBondContact O-N 3.41Å; Q568-A570 VanDerWaalsContact C-N 3.3Å; Q568-A570 PolarHBondContact O-N 2.7Å; Q568-F571 WeakPolarHBondContact O-CA 3.34Å; Q568-F571 WeakPolarHBondContact O-CB 3.08Å; Q568-F571 PolarHBondContact O-N 2.84Å; Q568-F571 VanDerWaalsContact O-N 3.09Å; Q568-D572 PolarHBondContact O-N 3.41Å; Q568-F773 HydrophobicContact CB-CD1 3.73Å; Q568-F773 HydrophobicContact CB-CE1 3.8Å; Q568-F773 HydrophobicContact CG-CB 4.39Å; Q568-F773 HydrophobicContact CG-CD1 3.71Å; Q568-F773 HydrophobicContact CG-CE1 4.24Å; Q568-F773 HydrophobicContact CG-CG 4.11Å
569K98.3Very high97.1Very high77 Ų7732.3 Ų32.334%0.33517%0.174SC..Hα-helixtrans-61.2-39.1177-77.1171.7175.8163.80112.6L518 I521 D565 F571 D572 H573L518-K569 HydrophobicContact CD2-CD 3.65Å; I521-K569 HydrophobicContact CG2-CB 4.25Å; D565-K569 WeakPolarHBondContact O-CB 3.04Å; D565-K569 WeakPolarHBondContact O-CG 3.47Å; D565-K569 PolarHBondContact O-N 3.35Å; D565-K569 WeakPolarHBondContact OD1-CE 3.5Å; D565-K569 IonicContact OD1-NZ 3.75Å; D565-K569 VanDerWaalsContact OD2-CE 3.26Å; D565-K569 WeakPolarHBondContact OD2-CE 3.42Å; D565-K569 IonicContact OD2-NZ 2.66Å; D565-K569 PolarHBondContact OD2-NZ 2.88Å; K569-F571 VanDerWaalsContact C-N 3.34Å; K569-D572 PolarHBondContact O-N 3.24Å; K569-H573 WeakPolarHBondContact O-CB 3.4Å; K569-H573 PolarHBondContact O-CD2 3.45Å; K569-H573 PolarHBondContact O-N 2.63Å
570A98.7Very high97.5Very high0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-63.1-42.3174.200000111.4I521 M535 A566 V567 Q568 L574I521-A570 HydrophobicContact CD1-CB 4.05Å; I521-A570 HydrophobicContact CG1-CB 4.3Å; I521-A570 HydrophobicContact CG2-CB 4.3Å; M535-A570 HydrophobicContact CB-CB 3.82Å; A566-A570 VanDerWaalsContact O-CB 3.28Å; A566-A570 WeakPolarHBondContact O-CB 3.38Å; A566-A570 PolarHBondContact O-N 3.09Å; V567-A570 PolarHBondContact O-N 3.3Å; Q568-A570 VanDerWaalsContact C-N 3.3Å; Q568-A570 PolarHBondContact O-N 2.7Å; A570-L574 WeakPolarHBondContact O-CB 3.33Å; A570-L574 PolarHBondContact O-N 3.14Å
571F98.6Very high97.7Very high9 Ų939.8 Ų39.84%0.03921%0.205CC..Hα-helixtrans-60.6-49.2174.2179-85.9000111.9M535 V567 Q568 K569 L574 A575 Q626 L627 Q630 F773M535-F571 HydrophobicContact SD-CB 3.88Å; M535-F571 HydrophobicContact SD-CD2 3.78Å; M535-F571 HydrophobicContact SD-CG 4.32Å; V567-F571 PolarHBondContact O-N 3.04Å; Q568-F571 WeakPolarHBondContact O-CA 3.34Å; Q568-F571 WeakPolarHBondContact O-CB 3.08Å; Q568-F571 PolarHBondContact O-N 2.84Å; Q568-F571 VanDerWaalsContact O-N 3.09Å; K569-F571 VanDerWaalsContact C-N 3.34Å; F571-L574 PolarHBondContact O-N 3.35Å; F571-A575 WeakPolarHBondContact O-CB 3.49Å; F571-A575 PolarHBondContact O-N 2.95Å; F571-Q626 HydrophobicContact CE2-CB 3.85Å; F571-Q626 HydrophobicContact CZ-CB 4Å; F571-L627 HydrophobicContact CD2-CD1 4.29Å; F571-L627 HydrophobicContact CE2-CB 3.82Å; F571-L627 HydrophobicContact CE2-CD1 3.91Å; F571-L627 HydrophobicContact CE2-CG 4.47Å; F571-L627 HydrophobicContact CZ-CB 4.39Å; F571-L627 HydrophobicContact CZ-CD1 4.12Å; F571-Q630 HydrophobicContact CE1-CG 4.32Å; F571-Q630 HydrophobicContact CZ-CG 4.14Å; F571-F773 HydrophobicContact CB-CD2 4.42Å; F571-F773 HydrophobicContact CB-CE2 3.78Å; F571-F773 HydrophobicContact CB-CZ 4.12Å; F571-F773 AromaticContact CD1-CD2 3.88Å; F571-F773 HydrophobicContact CD1-CD2 3.88Å; F571-F773 AromaticContact CD1-CE2 3.96Å; F571-F773 HydrophobicContact CD1-CE2 3.96Å; F571-F773 HydrophobicContact CD2-CD2 4.24Å; F571-F773 AromaticContact CD2-CE2 3.6Å; F571-F773 HydrophobicContact CD2-CE2 3.6Å; F571-F773 HydrophobicContact CE1-CD2 4.17Å; F571-F773 HydrophobicContact CE1-CE2 4.48Å; F571-F773 HydrophobicContact CE2-CD2 4.49Å; F571-F773 HydrophobicContact CE2-CE2 4.14Å; F571-F773 AromaticContact CG-CD2 3.92Å; F571-F773 HydrophobicContact CG-CD2 3.92Å; F571-F773 AromaticContact CG-CE2 3.5Å; F571-F773 HydrophobicContact CG-CE2 3.5Å; F571-F773 HydrophobicContact CG-CZ 4.33Å; F571-F773 HydrophobicContact CZ-CD2 4.47Å
572D97.9Very high97.9Very high78 Ų7833.9 Ų33.942%0.41718%0.178SC..Hα-helixtrans-63.7-46.9-176.6-69.3-23.4000111.8Q568 K569 L574 A575 A576Q568-D572 PolarHBondContact O-N 3.41Å; K569-D572 PolarHBondContact O-N 3.24Å; D572-L574 VanDerWaalsContact C-N 3.34Å; D572-L574 PolarHBondContact O-N 3.13Å; D572-A575 PolarHBondContact O-N 3.39Å; D572-A576 WeakPolarHBondContact O-CB 3.17Å; D572-A576 PolarHBondContact O-N 3.01Å
573H98.5Very high98.1Very high46 Ų4636.1 Ų36.121%0.21318%0.183CC..Hα-helixtrans-64.5-38.5175.5-70-31.4000112.2R525 L531 K569 A576 C577R525-H573 HydrophobicContact CB-CB 4.35Å; L531-H573 HydrophobicContact CD1-CB 3.69Å; L531-H573 HydrophobicContact CD2-CB 3.8Å; L531-H573 HydrophobicContact CG-CB 4.38Å; K569-H573 WeakPolarHBondContact O-CB 3.4Å; K569-H573 PolarHBondContact O-CD2 3.45Å; K569-H573 PolarHBondContact O-N 2.63Å; H573-A576 PolarHBondContact O-N 3.41Å; H573-C577 PolarHBondContact O-N 2.84Å; H573-C577 PolarHBondContact O-SG 2.98Å
574L98.5Very high98.1Very high0 Ų040 Ų400%022%0.215CC..Hα-helixtrans-65.1-48.6176.9-17959.3000110.3A528 L531 A532 M535 A570 F571 D572 A576 C577 L578 L614 L627A528-L574 HydrophobicContact CB-CD1 3.72Å; L531-L574 HydrophobicContact CB-CB 3.95Å; L531-L574 HydrophobicContact CB-CD1 4.24Å; L531-L574 HydrophobicContact CD1-CB 4.45Å; A532-L574 HydrophobicContact CB-CD2 4.08Å; M535-L574 HydrophobicContact CE-CD2 3.64Å; M535-L574 HydrophobicContact SD-CD2 4.37Å; A570-L574 WeakPolarHBondContact O-CB 3.33Å; A570-L574 PolarHBondContact O-N 3.14Å; F571-L574 PolarHBondContact O-N 3.35Å; D572-L574 VanDerWaalsContact C-N 3.34Å; D572-L574 PolarHBondContact O-N 3.13Å; L574-A576 VanDerWaalsContact C-N 3.27Å; L574-A576 PolarHBondContact O-N 2.9Å; L574-C577 WeakPolarHBondContact O-CB 3.48Å; L574-C577 PolarHBondContact O-N 2.98Å; L574-C577 VanDerWaalsContact O-N 3.12Å; L574-L578 HydrophobicContact CD1-CD1 4.1Å; L574-L578 HydrophobicContact CD1-CD2 4.25Å; L574-L578 HydrophobicContact CD1-CG 3.99Å; L574-L578 HydrophobicContact CG-CD1 4.05Å; L574-L578 HydrophobicContact CG-CG 4.28Å; L574-L578 VanDerWaalsContact O-CG 3.28Å; L574-L578 WeakPolarHBondContact O-CG 3.4Å; L574-L578 PolarHBondContact O-N 3.4Å; L574-L614 HydrophobicContact CD2-CD2 4.1Å; L574-L627 HydrophobicContact CD2-CD2 3.66Å; L574-L627 HydrophobicContact CG-CD2 4.01Å
575A98Very high98.1Very high6 Ų639.1 Ų39.15%0.0521%0.208CC..Hα-helixtrans-55.3-43.4176.500000111.4F571 D572 L578 K579 L627F571-A575 WeakPolarHBondContact O-CB 3.49Å; F571-A575 PolarHBondContact O-N 2.95Å; D572-A575 PolarHBondContact O-N 3.39Å; A575-L578 PolarHBondContact O-N 3.04Å; A575-K579 WeakPolarHBondContact O-CB 3.48Å; A575-K579 VanDerWaalsContact O-CG 3.26Å; A575-K579 WeakPolarHBondContact O-CG 3.29Å; A575-K579 PolarHBondContact O-N 3.14Å; A575-L627 HydrophobicContact CB-CD1 3.68Å
576A97.6Very high98.1Very high59 Ų5936.5 Ų36.549%0.48819%0.194SC..Hα-helixtrans-62.6-44.5176.100000112.7D572 H573 L574 L578 R580D572-A576 WeakPolarHBondContact O-CB 3.17Å; D572-A576 PolarHBondContact O-N 3.01Å; H573-A576 PolarHBondContact O-N 3.41Å; L574-A576 VanDerWaalsContact C-N 3.27Å; L574-A576 PolarHBondContact O-N 2.9Å; A576-L578 PolarHBondContact O-N 3.44Å; A576-R580 PolarHBondContact O-N 3.33Å; A576-R580 VanDerWaalsContact O-N 3.07Å
577C98.3Very high98.1Very high5 Ų539.6 Ų39.63%0.03421%0.214CC..Hα-helixtrans-59.5-47.9175.7-690000111.4R525 Y526 A528 H573 L574 R580 D581R525-C577 PolarHBondContact O-SG 2.76Å; R525-C577 VanDerWaalsContact O-SG 3.34Å; Y526-C577 VanDerWaalsContact CA-SG 3.59Å; A528-C577 HydrophobicContact CB-CB 4.43Å; H573-C577 PolarHBondContact O-N 2.84Å; H573-C577 PolarHBondContact O-SG 2.98Å; L574-C577 WeakPolarHBondContact O-CB 3.48Å; L574-C577 PolarHBondContact O-N 2.98Å; L574-C577 VanDerWaalsContact O-N 3.12Å; C577-R580 WeakPolarHBondContact O-CB 3.35Å; C577-R580 PolarHBondContact O-N 3.36Å; C577-D581 PolarHBondContact O-N 2.95Å; C577-D581 VanDerWaalsContact O-N 3.08Å
578L98.2Very high98.1Very high7 Ų741.6 Ų41.64%0.03723%0.227CC..Hα-helixtrans-69.8-38-176.9-61.8-174.2000112.3A528 L574 A575 A576 R580 D581 L582 V610 L627 L631A528-L578 HydrophobicContact CB-CD2 4.28Å; L574-L578 HydrophobicContact CD1-CD1 4.1Å; L574-L578 HydrophobicContact CD1-CD2 4.25Å; L574-L578 HydrophobicContact CD1-CG 3.99Å; L574-L578 HydrophobicContact CG-CD1 4.05Å; L574-L578 HydrophobicContact CG-CG 4.28Å; L574-L578 VanDerWaalsContact O-CG 3.28Å; L574-L578 WeakPolarHBondContact O-CG 3.4Å; L574-L578 PolarHBondContact O-N 3.4Å; A575-L578 PolarHBondContact O-N 3.04Å; A576-L578 PolarHBondContact O-N 3.44Å; L578-R580 VanDerWaalsContact C-N 3.31Å; L578-R580 PolarHBondContact O-N 2.77Å; L578-D581 PolarHBondContact O-N 3.1Å; L578-L582 WeakPolarHBondContact O-CB 3.37Å; L578-L582 PolarHBondContact O-N 3.03Å; L578-V610 HydrophobicContact CB-CG2 4.48Å; L578-V610 HydrophobicContact CD1-CB 4.39Å; L578-V610 HydrophobicContact CD1-CG1 3.62Å; L578-V610 HydrophobicContact CD1-CG2 3.81Å; L578-V610 HydrophobicContact CD2-CG2 3.64Å; L578-V610 HydrophobicContact CG-CG2 4.16Å; L578-L627 HydrophobicContact CD1-CD1 4.43Å; L578-L627 HydrophobicContact CD1-CD2 3.59Å; L578-L627 HydrophobicContact CD1-CG 4.09Å; L578-L631 HydrophobicContact CB-CD1 4.48Å; L578-L631 HydrophobicContact CB-CD2 3.81Å; L578-L631 HydrophobicContact CD1-CD1 4.32Å
579K98Very high98.1Very high27 Ų2737.8 Ų37.812%0.11721%0.21CC..Hα-helixtrans-61.2-39.2172.7-76.3177.7-176.3-178.80111.4A575 L582 H583 L631 Y634 D768A575-K579 WeakPolarHBondContact O-CB 3.48Å; A575-K579 VanDerWaalsContact O-CG 3.26Å; A575-K579 WeakPolarHBondContact O-CG 3.29Å; A575-K579 PolarHBondContact O-N 3.14Å; K579-L582 PolarHBondContact O-N 3.31Å; K579-H583 WeakPolarHBondContact O-CB 3.2Å; K579-H583 PolarHBondContact O-N 2.84Å; K579-L631 HydrophobicContact CG-CD2 4.18Å; K579-Y634 HydrophobicContact CB-CD2 4.26Å; K579-Y634 HydrophobicContact CB-CE2 4.39Å; K579-Y634 HydrophobicContact CD-CD2 3.99Å; K579-Y634 HydrophobicContact CG-CD2 3.97Å; K579-Y634 HydrophobicContact CG-CG 4.16Å; K579-D768 IonicContact NZ-OD1 2.73Å
580R97.6Very high98.1Very high133 Ų13334.9 Ų34.950%0.50220%0.198SC..Hα-helixtrans-63.3-46.8175.5-178.1-162.666.9-164-5.1111.8A576 C577 L578 L582 H583 A584A576-R580 PolarHBondContact O-N 3.33Å; A576-R580 VanDerWaalsContact O-N 3.07Å; C577-R580 WeakPolarHBondContact O-CB 3.35Å; C577-R580 PolarHBondContact O-N 3.36Å; L578-R580 VanDerWaalsContact C-N 3.31Å; L578-R580 PolarHBondContact O-N 2.77Å; R580-L582 VanDerWaalsContact C-N 3.32Å; R580-H583 WeakPolarHBondContact O-CB 3.4Å; R580-H583 PolarHBondContact O-N 2.92Å; R580-A584 PolarHBondContact O-N 3.16Å
581D97.1Very high98Very high59 Ų5938 Ų3832%0.31621%0.214SC..Hα-helixtrans-68-37.6-179.6-61.1-9.3000110.8C577 L578 A584 A585C577-D581 PolarHBondContact O-N 2.95Å; C577-D581 VanDerWaalsContact O-N 3.08Å; L578-D581 PolarHBondContact O-N 3.1Å; D581-A584 PolarHBondContact O-N 3.45Å; D581-A585 PolarHBondContact O-N 2.89Å
582L98.1Very high97.8Very high1 Ų139.2 Ų39.21%0.00522%0.223CC..Hα-helixtrans-63.7-44173-177.359.7000111.9L578 K579 R580 A584 A585 M586 I606 L631 Y634 I635L578-L582 WeakPolarHBondContact O-CB 3.37Å; L578-L582 PolarHBondContact O-N 3.03Å; K579-L582 PolarHBondContact O-N 3.31Å; R580-L582 VanDerWaalsContact C-N 3.32Å; L582-A584 VanDerWaalsContact C-N 3.27Å; L582-A584 PolarHBondContact O-N 3.33Å; L582-A585 CarbonylContact O-C 3.52Å; L582-A585 WeakPolarHBondContact O-CA 3.5Å; L582-A585 WeakPolarHBondContact O-CB 3.25Å; L582-A585 PolarHBondContact O-N 2.93Å; L582-M586 HydrophobicContact CD1-SD 3.98Å; L582-M586 HydrophobicContact CG-SD 4.13Å; L582-M586 WeakPolarHBondContact O-CG 3.16Å; L582-M586 PolarHBondContact O-N 3.09Å; L582-M586 VanDerWaalsContact O-N 3.11Å; L582-I606 HydrophobicContact CB-CG2 4.36Å; L582-I606 HydrophobicContact CD1-CG2 4.44Å; L582-L631 HydrophobicContact CD2-CB 4.17Å; L582-L631 HydrophobicContact CD2-CD2 4.13Å; L582-Y634 HydrophobicContact CD2-CD1 3.84Å; L582-Y634 HydrophobicContact CD2-CG 4.48Å; L582-Y634 HydrophobicContact CG-CD1 4.17Å; L582-I635 HydrophobicContact CD1-CD1 4.42Å; L582-I635 HydrophobicContact CD1-CG1 4.36Å; L582-I635 HydrophobicContact CD2-CD1 4.34Å; L582-I635 HydrophobicContact CD2-CG1 3.92Å; L582-I635 HydrophobicContact CG-CG1 4.49Å
583H98.2Very high97.7Very high90 Ų9043.6 Ų43.642%0.41724%0.241SC..Hα-helixtrans-53.8-43.4176.7-176.479.6000112.2K579 R580 A585 M586 P587 Y634 Y638K579-H583 WeakPolarHBondContact O-CB 3.2Å; K579-H583 PolarHBondContact O-N 2.84Å; R580-H583 WeakPolarHBondContact O-CB 3.4Å; R580-H583 PolarHBondContact O-N 2.92Å; H583-A585 PolarHBondContact O-N 2.84Å; H583-M586 PolarHBondContact O-N 3.49Å; H583-P587 WeakPolarHBondContact O-CD 3.49Å; H583-Y634 HydrophobicContact CB-CE1 4.11Å; H583-Y634 WeakPolarHBondContact CB-OH 3.29Å; H583-Y634 AromaticContact ND1-CZ 3.95Å; H583-Y634 PolarHBondContact ND1-OH 3.33Å; H583-Y638 AromaticContact CE1-CE2 3.78Å; H583-Y638 AromaticContact ND1-CD2 3.99Å; H583-Y638 AromaticContact ND1-CE2 3.7Å
584A97.8Very high97.6Very high80 Ų8042.1 Ų42.166%0.66124%0.237SC*.Hα-helixtrans-64.2-24.2176.900000113.2R580 D581 L582R580-A584 PolarHBondContact O-N 3.16Å; D581-A584 PolarHBondContact O-N 3.45Å; L582-A584 VanDerWaalsContact C-N 3.27Å; L582-A584 PolarHBondContact O-N 3.33Å
585A98.1Very high97.4Very high8 Ų845.4 Ų45.47%0.06626%0.26CS..Hα-helixtrans-94.4-5.8179.400000114.2D581 L582 H583 P602 I606D581-A585 PolarHBondContact O-N 2.89Å; L582-A585 CarbonylContact O-C 3.52Å; L582-A585 WeakPolarHBondContact O-CA 3.5Å; L582-A585 WeakPolarHBondContact O-CB 3.25Å; L582-A585 PolarHBondContact O-N 2.93Å; H583-A585 PolarHBondContact O-N 2.84Å; A585-P602 HydrophobicContact CB-CB 4.01Å; A585-I606 HydrophobicContact CB-CG1 3.7Å
586M98.3Very high97.3Very high0 Ų047.5 Ų47.50%027%0.27CS..SBendtrans-75.8-41.2-177.6-68.8-51.2-65.700115.5L582 H583 P588 L589 Y634 I635 Y638 L639L582-M586 HydrophobicContact CD1-SD 3.98Å; L582-M586 HydrophobicContact CG-SD 4.13Å; L582-M586 WeakPolarHBondContact O-CG 3.16Å; L582-M586 PolarHBondContact O-N 3.09Å; L582-M586 VanDerWaalsContact O-N 3.11Å; H583-M586 PolarHBondContact O-N 3.49Å; M586-P588 VanDerWaalsContact C-CD 3.44Å; M586-L589 HydrophobicContact CE-CD1 3.51Å; M586-L589 WeakPolarHBondContact O-CB 3.04Å; M586-L589 PolarHBondContact O-N 2.95Å; M586-L589 HydrophobicContact SD-CD1 3.96Å; M586-Y634 HydrophobicContact CG-CE1 4.46Å; M586-I635 HydrophobicContact CE-CB 4.4Å; M586-I635 HydrophobicContact CE-CG1 4.34Å; M586-I635 HydrophobicContact CE-CG2 4.1Å; M586-I635 HydrophobicContact SD-CG1 4.11Å; M586-Y638 HydrophobicContact CB-CD1 3.73Å; M586-Y638 HydrophobicContact CB-CD2 4.12Å; M586-Y638 HydrophobicContact CB-CE1 3.42Å; M586-Y638 VanDerWaalsContact CB-CE1 3.42Å; M586-Y638 HydrophobicContact CB-CE2 3.84Å; M586-Y638 HydrophobicContact CB-CG 4.08Å; M586-Y638 VanDerWaalsContact CB-CZ 3.48Å; M586-Y638 HydrophobicContact CE-CD1 3.66Å; M586-Y638 HydrophobicContact CE-CE1 4.36Å; M586-Y638 HydrophobicContact CE-CG 4.07Å; M586-Y638 HydrophobicContact CG-CD1 4.04Å; M586-Y638 HydrophobicContact CG-CD2 4.12Å; M586-Y638 HydrophobicContact CG-CE1 4.23Å; M586-Y638 HydrophobicContact CG-CE2 4.3Å; M586-Y638 HydrophobicContact CG-CG 3.99Å; M586-L639 HydrophobicContact CE-CD1 4.41Å; M586-L639 HydrophobicContact CE-CD2 3.94Å; M586-L639 HydrophobicContact CE-CG 3.9Å
587P98.1Very high97.1Very high65 Ų6547.8 Ų47.842%0.42227%0.272SS..G310 helixtrans-53.4-39.5-172.7-26.332.3000115.6H583 L589 L590 D591H583-P587 WeakPolarHBondContact O-CD 3.49Å; P587-L589 PolarHBondContact O-N 3.32Å; P587-L590 PolarHBondContact O-N 3.35Å; P587-D591 PolarHBondContact O-N 3.5Å
588P98Very high97.1Very high42 Ų4252 Ų5227%0.27330%0.298SS..G310 helixtrans-58.7-27.8176.7-27.938.4000114.8M586 L590 D591 A599 P602M586-P588 VanDerWaalsContact C-CD 3.44Å; P588-L590 PolarHBondContact O-N 3.06Å; P588-D591 PolarHBondContact O-N 2.9Å; P588-A599 CarbonylContact C-O 3.6Å; P588-A599 VanDerWaalsContact O-CB 3.28Å; P588-A599 WeakPolarHBondContact O-CB 3.46Å; P588-P602 HydrophobicContact CB-CG 4.16Å; P588-P602 HydrophobicContact CG-CG 4.07Å
589L97.9Very high97Very high2 Ų251.7 Ų51.71%0.0130%0.296CS..G310 helixtrans-63.2-22175.5-78.1168.5000112.9M586 P587 A599 V600 C603 L639 R663M586-L589 HydrophobicContact CE-CD1 3.51Å; M586-L589 WeakPolarHBondContact O-CB 3.04Å; M586-L589 PolarHBondContact O-N 2.95Å; M586-L589 HydrophobicContact SD-CD1 3.96Å; P587-L589 PolarHBondContact O-N 3.32Å; L589-A599 PolarHBondContact N-O 2.87Å; L589-V600 HydrophobicContact CD2-CB 4.22Å; L589-V600 HydrophobicContact CD2-CG2 3.74Å; L589-C603 HydrophobicContact CD1-CB 3.78Å; L589-C603 HydrophobicContact CG-CB 4.29Å; L589-L639 HydrophobicContact CB-CD2 4.27Å; L589-R663 HydrophobicContact CD2-CB 4.49Å; L589-R663 PolarHBondContact O-NH1 3.43Å
590L97.9Very high97Very high16 Ų1650.5 Ų50.58%0.08429%0.291CS..G310 helixtrans-102.6-3.7-179-61.1175.6000112.9P587 P588 P592 Y638 L639 W642 W656P587-L590 PolarHBondContact O-N 3.35Å; P588-L590 PolarHBondContact O-N 3.06Å; L590-P592 VanDerWaalsContact O-CD 3.27Å; L590-P592 WeakPolarHBondContact O-CD 3.46Å; L590-Y638 HydrophobicContact CD1-CD1 4.36Å; L590-Y638 HydrophobicContact CD1-CE1 3.6Å; L590-Y638 HydrophobicContact CG-CE1 4.47Å; L590-L639 HydrophobicContact CD2-CD2 3.6Å; L590-L639 HydrophobicContact CG-CD2 4.08Å; L590-W642 HydrophobicContact CB-CZ2 4.35Å; L590-W642 HydrophobicContact CD1-CB 3.94Å; L590-W642 HydrophobicContact CD1-CD2 3.59Å; L590-W642 HydrophobicContact CD1-CE3 4.28Å; L590-W642 HydrophobicContact CD1-CG 3.41Å; L590-W642 VanDerWaalsContact CD1-CG 3.41Å; L590-W642 HydrophobicContact CD2-CD2 3.7Å; L590-W642 HydrophobicContact CD2-CE3 3.49Å; L590-W642 VanDerWaalsContact CD2-CE3 3.49Å; L590-W642 HydrophobicContact CD2-CG 4.3Å; L590-W642 HydrophobicContact CD2-CH2 4.18Å; L590-W642 HydrophobicContact CD2-CZ2 4.37Å; L590-W642 HydrophobicContact CD2-CZ3 3.77Å; L590-W642 HydrophobicContact CG-CD2 4.18Å; L590-W642 HydrophobicContact CG-CE3 4.45Å; L590-W642 HydrophobicContact CG-CG 4.45Å; L590-W656 HydrophobicContact CD2-CZ2 4.49Å; L590-W656 WeakPolarHBondContact O-CH2 3.33Å
591D96.9Very high97.1Very high66 Ų6648.1 Ų48.135%0.35329%0.286SS..  trans-69.7117.9178.8-179.2-3.6000110.5P587 P588 Q593 A594 R663P587-D591 PolarHBondContact O-N 3.5Å; P588-D591 PolarHBondContact O-N 2.9Å; D591-Q593 VanDerWaalsContact C-N 3.3Å; D591-Q593 PolarHBondContact O-N 2.95Å; D591-Q593 WeakPolarHBondContact OD1-CB 3.48Å; D591-Q593 PolarHBondContact OD1-N 3.13Å; D591-A594 HydrophobicContact CB-CB 3.94Å; D591-R663 PolarHBondContact O-NH1 3.34Å; D591-R663 PolarHBondContact O-NH2 3.06Å
592P94.8Very high97.1Very high34 Ų3447.5 Ų47.522%0.22129%0.285CS..SBendtrans-75-14.9179.232.9-37.9000114.3L590 Y651 W656 R659L590-P592 VanDerWaalsContact O-CD 3.27Å; L590-P592 WeakPolarHBondContact O-CD 3.46Å; P592-Y651 HydrophobicContact CB-CE1 3.85Å; P592-Y651 HydrophobicContact CG-CE1 3.91Å; P592-W656 HydrophobicContact CB-CH2 4.43Å; P592-W656 HydrophobicContact CB-CZ3 3.94Å; P592-R659 PolarHBondContact O-NH1 2.72Å
593Q95.6Very high97.1Very high169 Ų16947.5 Ų47.579%0.7929%0.285SS*.SBendtrans-91.5-20.6178.5-55.8-54.2-40.800112.4D591D591-Q593 VanDerWaalsContact C-N 3.3Å; D591-Q593 PolarHBondContact O-N 2.95Å; D591-Q593 WeakPolarHBondContact OD1-CB 3.48Å; D591-Q593 PolarHBondContact OD1-N 3.13Å
594A95.7Very high97.1Very high15 Ų1547.3 Ų47.312%0.12428%0.281CS..SBendtrans-69.6140.3176.700000112.1D591 A599 R663D591-A594 HydrophobicContact CB-CB 3.94Å; A594-A599 HydrophobicContact CB-CB 3.96Å; A594-R663 PolarHBondContact O-NH2 3.48Å
595S96.1Very high97.1Very high69 Ų6948.3 Ų48.348%0.48327%0.271SS..  trans-65.1153.6164.772.50000110.5A597 V598 A599S595-A597 VanDerWaalsContact C-N 3.3Å; S595-A597 PolarHBondContact O-N 3.48Å; S595-V598 PolarHBondContact O-N 2.99Å; S595-V598 VanDerWaalsContact O-N 3.1Å; S595-V598 VanDerWaalsContact OG-CG2 3.26Å; S595-V598 WeakPolarHBondContact OG-CG2 3.35Å; S595-V598 PolarHBondContact OG-N 3.29Å; S595-A599 WeakPolarHBondContact O-CB 3.38Å; S595-A599 PolarHBondContact O-N 2.95Å
596D95.5Very high97.1Very high50 Ų5049.7 Ų49.727%0.26728%0.277SS..Hα-helixtrans-60-39-174.3-64-27.2000113.1V600 R659 R663D596-V600 VanDerWaalsContact O-CG2 3.23Å; D596-V600 WeakPolarHBondContact O-CG2 3.38Å; D596-V600 PolarHBondContact O-N 3.46Å; D596-R659 WeakPolarHBondContact OD1-CG 3.27Å; D596-R663 HydrophobicContact CB-CG 3.94Å; D596-R663 IonicContact OD1-CZ 3.17Å; D596-R663 IonicContact OD1-NE 3.66Å; D596-R663 PolarHBondContact OD1-NE 3.08Å; D596-R663 IonicContact OD1-NH2 3.71Å
597A93.4Very high97.2Very high65 Ų6549.7 Ų49.754%0.53728%0.277SS..Hα-helixtrans-63.2-44.4175.600000112.3S595 E601S595-A597 VanDerWaalsContact C-N 3.3Å; S595-A597 PolarHBondContact O-N 3.48Å; A597-E601 PolarHBondContact O-N 3.22Å
598V97.1Very high97.1Very high94 Ų9449.1 Ų49.157%0.5727%0.27SS*.Hα-helixtrans-69.9-38.8-179.2173.40000111.4S595 V600 E601 P602S595-V598 PolarHBondContact O-N 2.99Å; S595-V598 VanDerWaalsContact O-N 3.1Å; S595-V598 VanDerWaalsContact OG-CG2 3.26Å; S595-V598 WeakPolarHBondContact OG-CG2 3.35Å; S595-V598 PolarHBondContact OG-N 3.29Å; V598-V600 VanDerWaalsContact C-N 3.32Å; V598-V600 PolarHBondContact O-N 3.32Å; V598-E601 PolarHBondContact O-N 3.47Å; V598-P602 WeakPolarHBondContact O-CD 3.31Å
599A97.9Very high97.1Very high0 Ų049.7 Ų49.70%028%0.275CS..Hα-helixtrans-62.9-37.9178.900000112.5P588 L589 A594 S595P588-A599 CarbonylContact C-O 3.6Å; P588-A599 VanDerWaalsContact O-CB 3.28Å; P588-A599 WeakPolarHBondContact O-CB 3.46Å; L589-A599 PolarHBondContact N-O 2.87Å; A594-A599 HydrophobicContact CB-CB 3.96Å; S595-A599 WeakPolarHBondContact O-CB 3.38Å; S595-A599 PolarHBondContact O-N 2.95Å
600V98.2Very high97.1Very high3 Ų349.8 Ų49.82%0.01828%0.276CS..Hα-helixtrans-82.5-27.2-177.2177.10000112.8L589 D596 V598 C603 R604 R663 H666 L667L589-V600 HydrophobicContact CD2-CB 4.22Å; L589-V600 HydrophobicContact CD2-CG2 3.74Å; D596-V600 VanDerWaalsContact O-CG2 3.23Å; D596-V600 WeakPolarHBondContact O-CG2 3.38Å; D596-V600 PolarHBondContact O-N 3.46Å; V598-V600 VanDerWaalsContact C-N 3.32Å; V598-V600 PolarHBondContact O-N 3.32Å; V600-C603 PolarHBondContact O-N 3.12Å; V600-R604 HydrophobicContact CG1-CB 4.16Å; V600-R604 WeakPolarHBondContact O-CB 3.42Å; V600-R604 PolarHBondContact O-N 3.43Å; V600-R663 HydrophobicContact CG2-CB 3.64Å; V600-R663 HydrophobicContact CG2-CG 3.92Å; V600-R663 WeakPolarHBondContact CG2-O 3.16Å; V600-H666 HydrophobicContact CB-CB 4.49Å; V600-H666 HydrophobicContact CG1-CB 3.85Å; V600-H666 HydrophobicContact CG2-CB 4.34Å; V600-L667 HydrophobicContact CG1-CD2 3.64Å; V600-L667 HydrophobicContact CG1-CG 4.1Å
601E98Very high97.1Very high83 Ų8349.3 Ų49.339%0.38827%0.273SS..Hα-helixtrans-53.7-46-169.9-171.961.1-165.800114.7A597 V598 C603 R604 H605A597-E601 PolarHBondContact O-N 3.22Å; V598-E601 PolarHBondContact O-N 3.47Å; E601-C603 PolarHBondContact O-N 3.3Å; E601-R604 PolarHBondContact O-N 3.46Å; E601-R604 IonicContact OE1-CZ 3.21Å; E601-R604 IonicContact OE1-NH2 3.97Å; E601-R604 PolarHBondContact OE1-NH2 3.13Å; E601-R604 IonicContact OE2-CZ 3.04Å; E601-R604 VanDerWaalsContact OE2-CZ 3.25Å; E601-R604 IonicContact OE2-NE 2.64Å; E601-R604 PolarHBondContact OE2-NE 2.9Å; E601-R604 IonicContact OE2-NH2 3.05Å; E601-R604 PolarHBondContact OE2-NH2 2.96Å; E601-H605 VanDerWaalsContact O-CB 3.23Å; E601-H605 WeakPolarHBondContact O-CB 3.32Å; E601-H605 PolarHBondContact O-N 3.27Å
602P98.2Very high97Very high46 Ų4649.4 Ų49.430%0.29927%0.274SS..Hα-helixtrans-62.5-46.2-179.8-24.337000112.5A585 P588 V598 H605 I606A585-P602 HydrophobicContact CB-CB 4.01Å; P588-P602 HydrophobicContact CB-CG 4.16Å; P588-P602 HydrophobicContact CG-CG 4.07Å; V598-P602 WeakPolarHBondContact O-CD 3.31Å; P602-H605 PolarHBondContact O-N 3.42Å; P602-I606 WeakPolarHBondContact O-CG1 3.44Å; P602-I606 PolarHBondContact O-N 2.93Å; P602-I606 VanDerWaalsContact O-N 3.1Å
603C98.4Very high97.2Very high0 Ų049.5 Ų49.50%027%0.272CS..Hα-helixtrans-62.6-48.2178.6-178.50000110.8L589 V600 E601 H605 I606 L607L589-C603 HydrophobicContact CD1-CB 3.78Å; L589-C603 HydrophobicContact CG-CB 4.29Å; V600-C603 PolarHBondContact O-N 3.12Å; E601-C603 PolarHBondContact O-N 3.3Å; C603-H605 VanDerWaalsContact C-N 3.31Å; C603-H605 PolarHBondContact O-N 3.4Å; C603-I606 PolarHBondContact O-N 3.22Å; C603-L607 WeakPolarHBondContact O-CG 3.5Å; C603-L607 PolarHBondContact O-N 3.05Å
604R98.1Very high97.2Very high87 Ų8741.5 Ų41.533%0.32824%0.235SC..Hα-helixtrans-60.4-39.5177.2-170.6-178.872.885.1-2.3112.2V600 E601 L607 N608 L667 W670V600-R604 HydrophobicContact CG1-CB 4.16Å; V600-R604 WeakPolarHBondContact O-CB 3.42Å; V600-R604 PolarHBondContact O-N 3.43Å; E601-R604 PolarHBondContact O-N 3.46Å; E601-R604 IonicContact OE1-CZ 3.21Å; E601-R604 IonicContact OE1-NH2 3.97Å; E601-R604 PolarHBondContact OE1-NH2 3.13Å; E601-R604 IonicContact OE2-CZ 3.04Å; E601-R604 VanDerWaalsContact OE2-CZ 3.25Å; E601-R604 IonicContact OE2-NE 2.64Å; E601-R604 PolarHBondContact OE2-NE 2.9Å; E601-R604 IonicContact OE2-NH2 3.05Å; E601-R604 PolarHBondContact OE2-NH2 2.96Å; R604-L607 PolarHBondContact O-N 3.07Å; R604-N608 WeakPolarHBondContact O-CB 3.32Å; R604-N608 PolarHBondContact O-N 3.35Å; R604-L667 HydrophobicContact CB-CD2 4.23Å; R604-W670 HydrophobicContact CG-CG 4.28Å
605H97.9Very high97.1Very high100 Ų10046.7 Ų46.746%0.46325%0.251SS..Hα-helixtrans-61.4-46.8176.317876.5000111.6E601 P602 C603 N608 C609E601-H605 VanDerWaalsContact O-CB 3.23Å; E601-H605 WeakPolarHBondContact O-CB 3.32Å; E601-H605 PolarHBondContact O-N 3.27Å; P602-H605 PolarHBondContact O-N 3.42Å; C603-H605 VanDerWaalsContact C-N 3.31Å; C603-H605 PolarHBondContact O-N 3.4Å; H605-N608 WeakPolarHBondContact O-CB 3.23Å; H605-N608 PolarHBondContact O-N 3.48Å; H605-C609 PolarHBondContact NE2-SG 3.38Å; H605-C609 PolarHBondContact O-N 3.23Å; H605-C609 PolarHBondContact O-SG 2.93Å; H605-C609 VanDerWaalsContact O-SG 3.37Å
606I98.4Very high97Very high37 Ų3749.1 Ų49.119%0.1926%0.258CS..Hα-helixtrans-60.1-47.8176.1-65.1-58.2000111L582 A585 P602 C603 N608 C609 V610L582-I606 HydrophobicContact CB-CG2 4.36Å; L582-I606 HydrophobicContact CD1-CG2 4.44Å; A585-I606 HydrophobicContact CB-CG1 3.7Å; P602-I606 WeakPolarHBondContact O-CG1 3.44Å; P602-I606 PolarHBondContact O-N 2.93Å; P602-I606 VanDerWaalsContact O-N 3.1Å; C603-I606 PolarHBondContact O-N 3.22Å; I606-N608 VanDerWaalsContact C-N 3.27Å; I606-N608 PolarHBondContact O-N 3.36Å; I606-C609 WeakPolarHBondContact O-CB 3.27Å; I606-C609 PolarHBondContact O-N 2.87Å; I606-C609 VanDerWaalsContact O-N 3.14Å; I606-V610 HydrophobicContact CG2-CG2 4.46Å; I606-V610 WeakPolarHBondContact O-CG2 3.2Å; I606-V610 PolarHBondContact O-N 2.88Å
607L98.5Very high96.9Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-58.6-39.3177.6-64.9176.5000112.2C603 R604 V610 M611 F628 L631 F632 I635 L667 W670C603-L607 WeakPolarHBondContact O-CG 3.5Å; C603-L607 PolarHBondContact O-N 3.05Å; R604-L607 PolarHBondContact O-N 3.07Å; L607-V610 PolarHBondContact O-N 2.93Å; L607-M611 WeakPolarHBondContact O-CB 3.07Å; L607-M611 PolarHBondContact O-N 3.38Å; L607-F628 HydrophobicContact CB-CE1 4.45Å; L607-F628 HydrophobicContact CD2-CD1 4.42Å; L607-F628 HydrophobicContact CD2-CE1 4Å; L607-L631 HydrophobicContact CD2-CB 4.47Å; L607-L631 HydrophobicContact CD2-CD1 4.35Å; L607-F632 HydrophobicContact CD1-CE1 4.38Å; L607-I635 HydrophobicContact CD1-CD1 4.22Å; L607-I635 HydrophobicContact CD2-CD1 4.41Å; L607-L667 HydrophobicContact CD1-CD2 4.09Å; L607-W670 HydrophobicContact CB-CD2 4.48Å; L607-W670 HydrophobicContact CB-CE3 4.2Å; L607-W670 HydrophobicContact CB-CH2 3.6Å; L607-W670 HydrophobicContact CB-CZ2 3.86Å; L607-W670 HydrophobicContact CB-CZ3 3.76Å; L607-W670 HydrophobicContact CD1-CE3 4.06Å; L607-W670 HydrophobicContact CD1-CZ3 4.03Å; L607-W670 HydrophobicContact CG-CZ3 4.39Å; L607-W670 WeakPolarHBondContact O-CZ2 3.35Å
608N97.6Very high97Very high53 Ų5352.3 Ų52.328%0.28325%0.254SS..Hα-helixtrans-66.6-42.4175.5-169.573.5000112.6R604 H605 I606 V610 M611 N612R604-N608 WeakPolarHBondContact O-CB 3.32Å; R604-N608 PolarHBondContact O-N 3.35Å; H605-N608 WeakPolarHBondContact O-CB 3.23Å; H605-N608 PolarHBondContact O-N 3.48Å; I606-N608 VanDerWaalsContact C-N 3.27Å; I606-N608 PolarHBondContact O-N 3.36Å; N608-V610 VanDerWaalsContact C-N 3.33Å; N608-V610 PolarHBondContact O-N 3.38Å; N608-M611 PolarHBondContact O-N 3.09Å; N608-N612 PolarHBondContact ND2-ND2 3.02Å; N608-N612 WeakPolarHBondContact O-CB 3.37Å; N608-N612 VanDerWaalsContact O-CG 3.25Å; N608-N612 PolarHBondContact O-N 2.67Å; N608-N612 PolarHBondContact O-ND2 2.94Å
609C97.4Very high96.9Very high55 Ų5548.6 Ų48.637%0.37223%0.231SC..Hα-helixtrans-60.7-42.4174.4-73.50000111.7H605 I606 N612 L613H605-C609 PolarHBondContact NE2-SG 3.38Å; H605-C609 PolarHBondContact O-N 3.23Å; H605-C609 PolarHBondContact O-SG 2.93Å; H605-C609 VanDerWaalsContact O-SG 3.37Å; I606-C609 WeakPolarHBondContact O-CB 3.27Å; I606-C609 PolarHBondContact O-N 2.87Å; I606-C609 VanDerWaalsContact O-N 3.14Å; C609-N612 PolarHBondContact O-N 3.44Å; C609-L613 WeakPolarHBondContact O-CB 3.39Å; C609-L613 PolarHBondContact O-N 3.4Å
610V98.4Very high96.8Very high4 Ų449.4 Ų49.42%0.02424%0.235CC..Hα-helixtrans-61.1-51174.1173.20000111.1L578 I606 L607 N608 N612 L613 L614 F628 L631L578-V610 HydrophobicContact CB-CG2 4.48Å; L578-V610 HydrophobicContact CD1-CB 4.39Å; L578-V610 HydrophobicContact CD1-CG1 3.62Å; L578-V610 HydrophobicContact CD1-CG2 3.81Å; L578-V610 HydrophobicContact CD2-CG2 3.64Å; L578-V610 HydrophobicContact CG-CG2 4.16Å; I606-V610 HydrophobicContact CG2-CG2 4.46Å; I606-V610 WeakPolarHBondContact O-CG2 3.2Å; I606-V610 PolarHBondContact O-N 2.88Å; L607-V610 PolarHBondContact O-N 2.93Å; N608-V610 VanDerWaalsContact C-N 3.33Å; N608-V610 PolarHBondContact O-N 3.38Å; V610-N612 VanDerWaalsContact C-N 3.28Å; V610-N612 PolarHBondContact O-N 2.68Å; V610-L613 WeakPolarHBondContact O-CB 3.33Å; V610-L613 PolarHBondContact O-N 2.9Å; V610-L613 VanDerWaalsContact O-N 3.13Å; V610-L614 HydrophobicContact CG1-CD1 3.93Å; V610-L614 HydrophobicContact CG1-CG 4.27Å; V610-L614 WeakPolarHBondContact O-CG 3.25Å; V610-L614 PolarHBondContact O-N 3.01Å; V610-F628 HydrophobicContact CB-CZ 4.07Å; V610-F628 HydrophobicContact CG1-CE1 4.32Å; V610-F628 HydrophobicContact CG1-CE2 3.92Å; V610-F628 HydrophobicContact CG1-CZ 3.64Å; V610-L631 HydrophobicContact CG1-CD1 4.05Å; V610-L631 HydrophobicContact CG2-CD1 4.35Å
611M97.8Very high96.5Very high5 Ų552.5 Ų52.53%0.02526%0.261CS..Hα-helixtrans-56.6-44.5179.8178.656.966.600111.5L607 N608 L614 R615 F628 W670 Q674 L676L607-M611 WeakPolarHBondContact O-CB 3.07Å; L607-M611 PolarHBondContact O-N 3.38Å; N608-M611 PolarHBondContact O-N 3.09Å; M611-L614 PolarHBondContact O-N 3.26Å; M611-R615 WeakPolarHBondContact O-CB 3.23Å; M611-R615 WeakPolarHBondContact O-CG 3.35Å; M611-R615 PolarHBondContact O-N 3.4Å; M611-R615 HydrophobicContact SD-CG 4.04Å; M611-R615 VanDerWaalsContact SD-CZ 3.59Å; M611-R615 PolarHBondContact SD-NE 2.82Å; M611-R615 VanDerWaalsContact SD-NE 3.43Å; M611-F628 HydrophobicContact CB-CE2 4.49Å; M611-F628 HydrophobicContact CB-CZ 4.05Å; M611-F628 HydrophobicContact CE-CD2 4.23Å; M611-F628 HydrophobicContact CE-CE2 3.54Å; M611-F628 HydrophobicContact CE-CZ 3.83Å; M611-F628 HydrophobicContact SD-CE2 4.49Å; M611-W670 HydrophobicContact CB-CH2 4.37Å; M611-W670 HydrophobicContact CB-CZ2 4.08Å; M611-W670 HydrophobicContact CE-CH2 4.45Å; M611-Q674 HydrophobicContact CE-CB 3.7Å; M611-Q674 HydrophobicContact CE-CG 4.1Å; M611-Q674 HydrophobicContact CG-CG 4.32Å; M611-L676 HydrophobicContact CE-CD1 3.36Å; M611-L676 HydrophobicContact CE-CG 4.14Å
612N95.1Very high96.4Very high68 Ų6850.3 Ų50.336%0.36426%0.257SS..Hα-helixtrans-63.6-44177.2-70.8-26.1000111.9N608 C609 V610 L614 R615 L616N608-N612 PolarHBondContact ND2-ND2 3.02Å; N608-N612 WeakPolarHBondContact O-CB 3.37Å; N608-N612 VanDerWaalsContact O-CG 3.25Å; N608-N612 PolarHBondContact O-N 2.67Å; N608-N612 PolarHBondContact O-ND2 2.94Å; C609-N612 PolarHBondContact O-N 3.44Å; V610-N612 VanDerWaalsContact C-N 3.28Å; V610-N612 PolarHBondContact O-N 2.68Å; N612-L614 PolarHBondContact O-N 3.18Å; N612-R615 PolarHBondContact O-N 2.93Å; N612-L616 VanDerWaalsContact O-CB 3.27Å; N612-L616 WeakPolarHBondContact O-CB 3.33Å; N612-L616 WeakPolarHBondContact O-CG 3.43Å; N612-L616 PolarHBondContact O-N 3.29Å
613L97Very high96.3Very high36 Ų3648.1 Ų48.119%0.18824%0.243CC..Hα-helixtrans-58.1-48.5176.7171.161.9000111.8A528 A532 C609 V610 L616 S617A528-L613 HydrophobicContact CB-CD2 4Å; A532-L613 HydrophobicContact CB-CD1 4.13Å; A532-L613 HydrophobicContact CB-CD2 4.21Å; A532-L613 HydrophobicContact CB-CG 4.01Å; C609-L613 WeakPolarHBondContact O-CB 3.39Å; C609-L613 PolarHBondContact O-N 3.4Å; V610-L613 WeakPolarHBondContact O-CB 3.33Å; V610-L613 PolarHBondContact O-N 2.9Å; V610-L613 VanDerWaalsContact O-N 3.13Å; L613-L616 PolarHBondContact O-N 3.42Å; L613-S617 VanDerWaalsContact O-CB 3.23Å; L613-S617 WeakPolarHBondContact O-CB 3.45Å; L613-S617 PolarHBondContact O-N 2.87Å; L613-S617 PolarHBondContact O-OG 3.29Å
614L97.3Very high96.3Very high1 Ų148.9 Ų48.91%0.00525%0.248CC..Hα-helixtrans-66.5-42.4-177.8-61.9177.1000111.9A532 M535 L574 V610 M611 N612 S617 R618 V619 T624 L627 F628A532-L614 HydrophobicContact CB-CD2 4.44Å; M535-L614 HydrophobicContact CE-CD2 4.2Å; L574-L614 HydrophobicContact CD2-CD2 4.1Å; V610-L614 HydrophobicContact CG1-CD1 3.93Å; V610-L614 HydrophobicContact CG1-CG 4.27Å; V610-L614 WeakPolarHBondContact O-CG 3.25Å; V610-L614 PolarHBondContact O-N 3.01Å; M611-L614 PolarHBondContact O-N 3.26Å; N612-L614 PolarHBondContact O-N 3.18Å; L614-S617 CarbonylContact O-C 3.58Å; L614-S617 PolarHBondContact O-N 3.34Å; L614-R618 PolarHBondContact O-N 3.47Å; L614-R618 VanDerWaalsContact O-N 3.1Å; L614-V619 HydrophobicContact CB-CB 4.21Å; L614-V619 HydrophobicContact CB-CG2 4.36Å; L614-V619 HydrophobicContact CD2-CB 4.25Å; L614-V619 HydrophobicContact CD2-CG1 4.37Å; L614-V619 HydrophobicContact CD2-CG2 3.85Å; L614-V619 PolarHBondContact O-N 3.28Å; L614-T624 HydrophobicContact CD1-CG2 3.79Å; L614-L627 HydrophobicContact CD1-CD2 3.91Å; L614-L627 HydrophobicContact CD2-CD2 3.79Å; L614-L627 HydrophobicContact CG-CD2 4.42Å; L614-F628 HydrophobicContact CD1-CD2 4.22Å; L614-F628 HydrophobicContact CD1-CE2 3.75Å
615R93.3Very high96.2Very high125 Ų12548.5 Ų48.547%0.47225%0.251SS..Hα-helixtrans-62.5-47.4175.5-76179.2173.2157.24.8111.8M611 N612 S617 R618M611-R615 WeakPolarHBondContact O-CB 3.23Å; M611-R615 WeakPolarHBondContact O-CG 3.35Å; M611-R615 PolarHBondContact O-N 3.4Å; M611-R615 HydrophobicContact SD-CG 4.04Å; M611-R615 VanDerWaalsContact SD-CZ 3.59Å; M611-R615 PolarHBondContact SD-NE 2.82Å; M611-R615 VanDerWaalsContact SD-NE 3.43Å; N612-R615 PolarHBondContact O-N 2.93Å; R615-S617 VanDerWaalsContact C-N 3.31Å; R615-S617 PolarHBondContact O-N 3.24Å; R615-R618 PolarHBondContact O-N 2.95Å; R615-R618 VanDerWaalsContact O-N 3.16Å
616L92.6Very high96.1Very high119 Ų11945.7 Ų45.762%0.62324%0.239SC*.Hα-helixtrans-62.4-41.6178.2-73.7172.8000110.9K483 N612 L613 R618K483-L616 WeakPolarHBondContact CG-O 3.33Å; N612-L616 VanDerWaalsContact O-CB 3.27Å; N612-L616 WeakPolarHBondContact O-CB 3.33Å; N612-L616 WeakPolarHBondContact O-CG 3.43Å; N612-L616 PolarHBondContact O-N 3.29Å; L613-L616 PolarHBondContact O-N 3.42Å; L616-R618 PolarHBondContact O-N 2.79Å
617S94.9Very high96.1Very high7 Ų744 Ų445%0.04923%0.23CC..THydrogen-bonded Turntrans-75.9-0.5178.7-52.80000113.8S536 L613 L614 R615 V619S536-S617 WeakPolarHBondContact CB-O 3.42Å; S536-S617 PolarHBondContact OG-O 2.75Å; S536-S617 VanDerWaalsContact OG-O 3.05Å; L613-S617 VanDerWaalsContact O-CB 3.23Å; L613-S617 WeakPolarHBondContact O-CB 3.45Å; L613-S617 PolarHBondContact O-N 2.87Å; L613-S617 PolarHBondContact O-OG 3.29Å; L614-S617 CarbonylContact O-C 3.58Å; L614-S617 PolarHBondContact O-N 3.34Å; R615-S617 VanDerWaalsContact C-N 3.31Å; R615-S617 PolarHBondContact O-N 3.24Å; S617-V619 VanDerWaalsContact C-N 3.27Å; S617-V619 PolarHBondContact O-N 3.08Å
618R94.2Very high96.1Very high176 Ų17644 Ų4466%0.66423%0.23SC*.THydrogen-bonded Turntrans56.538.7-178.9-55.8-63.2-173.8167.80.3113.3K483 L484 L614 R615 L616K483-R618 HydrophobicContact CB-CG 4.38Å; L484-R618 HydrophobicContact CD1-CB 4.03Å; L484-R618 HydrophobicContact CD2-CB 4.25Å; L484-R618 HydrophobicContact CG-CB 4.05Å; L614-R618 PolarHBondContact O-N 3.47Å; L614-R618 VanDerWaalsContact O-N 3.1Å; R615-R618 PolarHBondContact O-N 2.95Å; R615-R618 VanDerWaalsContact O-N 3.16Å; L616-R618 PolarHBondContact O-N 2.79Å
619V96.5Very high96.1Very high15 Ų1542 Ų429%0.09122%0.22CC..  trans-67.5135.9174176.40000109.6A532 M535 L614 S617 L623A532-V619 HydrophobicContact CB-CG2 4.47Å; M535-V619 HydrophobicContact CE-CB 4.25Å; M535-V619 HydrophobicContact CE-CG1 3.47Å; M535-V619 VanDerWaalsContact CE-CG1 3.47Å; M535-V619 HydrophobicContact CE-CG2 3.68Å; L614-V619 HydrophobicContact CB-CB 4.21Å; L614-V619 HydrophobicContact CB-CG2 4.36Å; L614-V619 HydrophobicContact CD2-CB 4.25Å; L614-V619 HydrophobicContact CD2-CG1 4.37Å; L614-V619 HydrophobicContact CD2-CG2 3.85Å; L614-V619 PolarHBondContact O-N 3.28Å; S617-V619 VanDerWaalsContact C-N 3.27Å; S617-V619 PolarHBondContact O-N 3.08Å; V619-L623 HydrophobicContact CG1-CB 3.79Å
620N95.3Very high96.2Very high17 Ų1740.6 Ų40.69%0.09121%0.208CC..  trans-55.7142.7176.7-177.1-67.4000111.3A622 L623 T624 P776 D778 G779N620-A622 VanDerWaalsContact C-N 3.31Å; N620-A622 PolarHBondContact O-N 2.82Å; N620-A622 WeakPolarHBondContact OD1-CB 3.15Å; N620-A622 PolarHBondContact OD1-N 2.73Å; N620-L623 HydrophobicContact CB-CD1 4.25Å; N620-L623 HydrophobicContact CB-CG 4.4Å; N620-L623 PolarHBondContact O-N 3.39Å; N620-T624 PolarHBondContact O-N 3.2Å; N620-T624 PolarHBondContact O-OG1 3.07Å; N620-T624 VanDerWaalsContact O-OG1 3.05Å; N620-P776 HydrophobicContact CB-CG 4.09Å; N620-P776 WeakPolarHBondContact OD1-CG 3.45Å; N620-D778 PolarHBondContact ND2-O 3.47Å; N620-G779 PolarHBondContact ND2-O 2.85Å
621A92.6Very high96.2Very high69 Ų6940.5 Ų40.557%0.5721%0.207SC*.Hα-helixtrans-58.7-39.2-177.400000112.9T624 I625A621-T624 WeakPolarHBondContact O-CB 3.41Å; A621-T624 PolarHBondContact O-N 3.33Å; A621-I625 WeakPolarHBondContact O-CG1 3.46Å; A621-I625 PolarHBondContact O-N 3.04Å
622A94Very high96.2Very high37 Ų3740.2 Ų40.231%0.30621%0.206SC..Hα-helixtrans-68.8-35.7178.600000112.6N620 T624 Q626 P776N620-A622 VanDerWaalsContact C-N 3.31Å; N620-A622 PolarHBondContact O-N 2.82Å; N620-A622 WeakPolarHBondContact OD1-CB 3.15Å; N620-A622 PolarHBondContact OD1-N 2.73Å; A622-T624 VanDerWaalsContact C-N 3.35Å; A622-Q626 WeakPolarHBondContact O-CG 3.41Å; A622-Q626 PolarHBondContact O-N 3.02Å; A622-Q626 PolarHBondContact O-NE2 3.17Å; A622-P776 HydrophobicContact CB-CB 4.13Å; A622-P776 HydrophobicContact CB-CG 3.85Å
623L97.3Very high96.4Very high0 Ų037.7 Ų37.70%019%0.192CC..Hα-helixtrans-67.7-37.8170.7-70174.3000111.3M535 A539 V567 V619 N620 Q626 L627 F773 P776M535-L623 HydrophobicContact CG-CD1 4.11Å; M535-L623 HydrophobicContact SD-CD1 4.5Å; A539-L623 HydrophobicContact CB-CD1 4.16Å; V567-L623 HydrophobicContact CG1-CD1 4.47Å; V619-L623 HydrophobicContact CG1-CB 3.79Å; N620-L623 HydrophobicContact CB-CD1 4.25Å; N620-L623 HydrophobicContact CB-CG 4.4Å; N620-L623 PolarHBondContact O-N 3.39Å; L623-Q626 PolarHBondContact O-N 2.94Å; L623-L627 WeakPolarHBondContact O-CB 3.38Å; L623-L627 PolarHBondContact O-N 3.29Å; L623-F773 HydrophobicContact CD2-CE2 3.61Å; L623-F773 HydrophobicContact CD2-CZ 3.56Å; L623-P776 HydrophobicContact CD1-CG 4.3Å; L623-P776 HydrophobicContact CD2-CG 4.26Å; L623-P776 HydrophobicContact CG-CG 3.7Å
624T97.3Very high96.4Very high15 Ų1537.4 Ų37.49%0.09219%0.189CC..Hα-helixtrans-60.6-47.8174.9-61.90000111.1L614 N620 A621 A622 Q626 L627 F628L614-T624 HydrophobicContact CD1-CG2 3.79Å; N620-T624 PolarHBondContact O-N 3.2Å; N620-T624 PolarHBondContact O-OG1 3.07Å; N620-T624 VanDerWaalsContact O-OG1 3.05Å; A621-T624 WeakPolarHBondContact O-CB 3.41Å; A621-T624 PolarHBondContact O-N 3.33Å; A622-T624 VanDerWaalsContact C-N 3.35Å; T624-Q626 VanDerWaalsContact C-N 3.35Å; T624-Q626 PolarHBondContact O-N 3.39Å; T624-L627 PolarHBondContact O-N 3.48Å; T624-F628 HydrophobicContact CG2-CD2 3.82Å; T624-F628 HydrophobicContact CG2-CE2 4.05Å; T624-F628 WeakPolarHBondContact O-CD2 3.26Å; T624-F628 PolarHBondContact O-N 2.92Å
625I96Very high96.5Very high79 Ų7937.4 Ų37.441%0.40519%0.189SC..Hα-helixtrans-62.6-40.9177.3-68.4163.4000111.3A621 S629 L676 A679A621-I625 WeakPolarHBondContact O-CG1 3.46Å; A621-I625 PolarHBondContact O-N 3.04Å; I625-S629 WeakPolarHBondContact O-CB 3.44Å; I625-S629 PolarHBondContact O-N 2.97Å; I625-S629 PolarHBondContact O-OG 2.86Å; I625-L676 HydrophobicContact CG1-CD2 3.91Å; I625-A679 HydrophobicContact CG2-CB 4.27Å
626Q97.2Very high96.8Very high42 Ų4231.5 Ų31.520%0.19617%0.167CC..Hα-helixtrans-62.4-42.5175.4-77.4178.484.800111.9F571 A622 L623 T624 S629 Q630 L774F571-Q626 HydrophobicContact CE2-CB 3.85Å; F571-Q626 HydrophobicContact CZ-CB 4Å; A622-Q626 WeakPolarHBondContact O-CG 3.41Å; A622-Q626 PolarHBondContact O-N 3.02Å; A622-Q626 PolarHBondContact O-NE2 3.17Å; L623-Q626 PolarHBondContact O-N 2.94Å; T624-Q626 VanDerWaalsContact C-N 3.35Å; T624-Q626 PolarHBondContact O-N 3.39Å; Q626-S629 WeakPolarHBondContact O-CB 3.25Å; Q626-S629 PolarHBondContact O-N 2.92Å; Q626-Q630 PolarHBondContact O-N 3.46Å; Q626-L774 PolarHBondContact NE2-O 2.91Å; Q626-L774 PolarHBondContact OE1-O 2.98Å
627L98.2Very high97Very high0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-68.1-45.7179-167.264.2000111.4F571 L574 A575 L578 L614 L623 T624 S629 Q630 L631F571-L627 HydrophobicContact CD2-CD1 4.29Å; F571-L627 HydrophobicContact CE2-CB 3.82Å; F571-L627 HydrophobicContact CE2-CD1 3.91Å; F571-L627 HydrophobicContact CE2-CG 4.47Å; F571-L627 HydrophobicContact CZ-CB 4.39Å; F571-L627 HydrophobicContact CZ-CD1 4.12Å; L574-L627 HydrophobicContact CD2-CD2 3.66Å; L574-L627 HydrophobicContact CG-CD2 4.01Å; A575-L627 HydrophobicContact CB-CD1 3.68Å; L578-L627 HydrophobicContact CD1-CD1 4.43Å; L578-L627 HydrophobicContact CD1-CD2 3.59Å; L578-L627 HydrophobicContact CD1-CG 4.09Å; L614-L627 HydrophobicContact CD1-CD2 3.91Å; L614-L627 HydrophobicContact CD2-CD2 3.79Å; L614-L627 HydrophobicContact CG-CD2 4.42Å; L623-L627 WeakPolarHBondContact O-CB 3.38Å; L623-L627 PolarHBondContact O-N 3.29Å; T624-L627 PolarHBondContact O-N 3.48Å; L627-S629 VanDerWaalsContact C-N 3.27Å; L627-S629 PolarHBondContact O-N 2.91Å; L627-Q630 WeakPolarHBondContact O-CB 3.45Å; L627-Q630 PolarHBondContact O-N 2.66Å; L627-Q630 VanDerWaalsContact O-N 3.09Å; L627-L631 WeakPolarHBondContact O-CG 3.49Å; L627-L631 PolarHBondContact O-N 2.92Å; L627-L631 VanDerWaalsContact O-N 3.13Å
628F98.5Very high97.2Very high0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-65-31175.1-88.5-78.4000112.7L607 V610 M611 L614 T624 Q630 L631 F632 W670 L676L607-F628 HydrophobicContact CB-CE1 4.45Å; L607-F628 HydrophobicContact CD2-CD1 4.42Å; L607-F628 HydrophobicContact CD2-CE1 4Å; V610-F628 HydrophobicContact CB-CZ 4.07Å; V610-F628 HydrophobicContact CG1-CE1 4.32Å; V610-F628 HydrophobicContact CG1-CE2 3.92Å; V610-F628 HydrophobicContact CG1-CZ 3.64Å; M611-F628 HydrophobicContact CB-CE2 4.49Å; M611-F628 HydrophobicContact CB-CZ 4.05Å; M611-F628 HydrophobicContact CE-CD2 4.23Å; M611-F628 HydrophobicContact CE-CE2 3.54Å; M611-F628 HydrophobicContact CE-CZ 3.83Å; M611-F628 HydrophobicContact SD-CE2 4.49Å; L614-F628 HydrophobicContact CD1-CD2 4.22Å; L614-F628 HydrophobicContact CD1-CE2 3.75Å; T624-F628 HydrophobicContact CG2-CD2 3.82Å; T624-F628 HydrophobicContact CG2-CE2 4.05Å; T624-F628 WeakPolarHBondContact O-CD2 3.26Å; T624-F628 PolarHBondContact O-N 2.92Å; F628-Q630 VanDerWaalsContact C-N 3.29Å; F628-Q630 PolarHBondContact O-N 3.32Å; F628-L631 HydrophobicContact CD1-CD1 4.19Å; F628-L631 HydrophobicContact CE1-CD1 4.25Å; F628-L631 PolarHBondContact O-N 3.27Å; F628-L631 VanDerWaalsContact O-N 3.14Å; F628-F632 HydrophobicContact CB-CD2 4.23Å; F628-F632 HydrophobicContact CB-CE2 3.85Å; F628-F632 HydrophobicContact CD1-CE2 4.14Å; F628-F632 AromaticContact CD1-CZ 3.97Å; F628-F632 HydrophobicContact CD1-CZ 3.97Å; F628-F632 HydrophobicContact CG-CE2 4.4Å; F628-F632 WeakPolarHBondContact O-CD2 3.36Å; F628-F632 WeakPolarHBondContact O-CG 3.22Å; F628-F632 PolarHBondContact O-N 2.94Å; F628-W670 HydrophobicContact CD1-CH2 4.44Å; F628-W670 HydrophobicContact CD1-CZ3 4.47Å; F628-W670 AromaticContact CE1-CH2 3.55Å; F628-W670 HydrophobicContact CE1-CH2 3.55Å; F628-W670 AromaticContact CE1-CZ3 3.94Å; F628-W670 HydrophobicContact CE1-CZ3 3.94Å; F628-W670 AromaticContact CZ-CH2 3.85Å; F628-W670 HydrophobicContact CZ-CH2 3.85Å; F628-L676 HydrophobicContact CB-CD1 3.93Å; F628-L676 HydrophobicContact CB-CD2 4.35Å; F628-L676 HydrophobicContact CD1-CD1 3.72Å; F628-L676 HydrophobicContact CD2-CD1 3.53Å; F628-L676 HydrophobicContact CE1-CD1 4.09Å; F628-L676 HydrophobicContact CE2-CD1 3.91Å; F628-L676 HydrophobicContact CG-CD1 3.42Å; F628-L676 VanDerWaalsContact CG-CD1 3.42Å; F628-L676 HydrophobicContact CZ-CD1 4.18Å
629S98.1Very high97.4Very high13 Ų1320.1 Ų20.19%0.09112%0.115CC..Hα-helixtrans-59.9-40.3171.2-650000111.9I625 Q626 L627 L631 H633I625-S629 WeakPolarHBondContact O-CB 3.44Å; I625-S629 PolarHBondContact O-N 2.97Å; I625-S629 PolarHBondContact O-OG 2.86Å; Q626-S629 WeakPolarHBondContact O-CB 3.25Å; Q626-S629 PolarHBondContact O-N 2.92Å; L627-S629 VanDerWaalsContact C-N 3.27Å; L627-S629 PolarHBondContact O-N 2.91Å; S629-L631 VanDerWaalsContact C-N 3.34Å; S629-H633 VanDerWaalsContact O-CB 3.27Å; S629-H633 WeakPolarHBondContact O-CB 3.49Å; S629-H633 PolarHBondContact O-N 3.16Å
630Q98.1Very high97.5Very high25 Ų2519.4 Ų19.412%0.11711%0.111CC..Hα-helixtrans-65.2-37.2174.3-67.9-70.5-28.300112.1F571 Q626 L627 F628 Y634 L769F571-Q630 HydrophobicContact CE1-CG 4.32Å; F571-Q630 HydrophobicContact CZ-CG 4.14Å; Q626-Q630 PolarHBondContact O-N 3.46Å; L627-Q630 WeakPolarHBondContact O-CB 3.45Å; L627-Q630 PolarHBondContact O-N 2.66Å; L627-Q630 VanDerWaalsContact O-N 3.09Å; F628-Q630 VanDerWaalsContact C-N 3.29Å; F628-Q630 PolarHBondContact O-N 3.32Å; Q630-Y634 WeakPolarHBondContact O-CB 3.41Å; Q630-Y634 PolarHBondContact O-N 2.8Å; Q630-L769 PolarHBondContact NE2-O 3.04Å
631L98.5Very high97.7Very high1 Ų119.6 Ų19.61%0.00511%0.112CC..Hα-helixtrans-73.3-44.2178.8-60.4-179000112.4L578 K579 L582 L607 V610 L627 F628 S629 H633 Y634 I635L578-L631 HydrophobicContact CB-CD1 4.48Å; L578-L631 HydrophobicContact CB-CD2 3.81Å; L578-L631 HydrophobicContact CD1-CD1 4.32Å; K579-L631 HydrophobicContact CG-CD2 4.18Å; L582-L631 HydrophobicContact CD2-CB 4.17Å; L582-L631 HydrophobicContact CD2-CD2 4.13Å; L607-L631 HydrophobicContact CD2-CB 4.47Å; L607-L631 HydrophobicContact CD2-CD1 4.35Å; V610-L631 HydrophobicContact CG1-CD1 4.05Å; V610-L631 HydrophobicContact CG2-CD1 4.35Å; L627-L631 WeakPolarHBondContact O-CG 3.49Å; L627-L631 PolarHBondContact O-N 2.92Å; L627-L631 VanDerWaalsContact O-N 3.13Å; F628-L631 HydrophobicContact CD1-CD1 4.19Å; F628-L631 HydrophobicContact CE1-CD1 4.25Å; F628-L631 PolarHBondContact O-N 3.27Å; F628-L631 VanDerWaalsContact O-N 3.14Å; S629-L631 VanDerWaalsContact C-N 3.34Å; L631-H633 VanDerWaalsContact C-N 3.34Å; L631-Y634 WeakPolarHBondContact O-CB 3.49Å; L631-Y634 PolarHBondContact O-N 3.5Å; L631-Y634 VanDerWaalsContact O-N 3.14Å; L631-I635 WeakPolarHBondContact O-CG1 3.46Å; L631-I635 PolarHBondContact O-N 2.9Å
632F98.7Very high97.9Very high0 Ų017.7 Ų17.70%09%0.09CC..Hα-helixtrans-66-37.8176.1-64.3-48.5000111.8L607 F628 Y634 I635 N636 W670 A671 L676 A679 A680 R683 L684L607-F632 HydrophobicContact CD1-CE1 4.38Å; F628-F632 HydrophobicContact CB-CD2 4.23Å; F628-F632 HydrophobicContact CB-CE2 3.85Å; F628-F632 HydrophobicContact CD1-CE2 4.14Å; F628-F632 AromaticContact CD1-CZ 3.97Å; F628-F632 HydrophobicContact CD1-CZ 3.97Å; F628-F632 HydrophobicContact CG-CE2 4.4Å; F628-F632 WeakPolarHBondContact O-CD2 3.36Å; F628-F632 WeakPolarHBondContact O-CG 3.22Å; F628-F632 PolarHBondContact O-N 2.94Å; F632-Y634 VanDerWaalsContact C-N 3.29Å; F632-Y634 PolarHBondContact O-N 3.46Å; F632-I635 HydrophobicContact CD1-CD1 4.27Å; F632-I635 PolarHBondContact O-N 2.92Å; F632-N636 WeakPolarHBondContact O-CB 3.24Å; F632-N636 PolarHBondContact O-N 3.26Å; F632-W670 HydrophobicContact CE1-CZ3 4.48Å; F632-W670 HydrophobicContact CZ-CZ3 4.2Å; F632-A671 HydrophobicContact CE1-CB 4.44Å; F632-A671 HydrophobicContact CZ-CB 3.85Å; F632-L676 HydrophobicContact CE2-CB 4.23Å; F632-L676 HydrophobicContact CE2-CD1 4.46Å; F632-L676 HydrophobicContact CZ-CB 4.43Å; F632-L676 HydrophobicContact CZ-CD1 4.45Å; F632-A679 HydrophobicContact CD2-CB 4.43Å; F632-A679 HydrophobicContact CE2-CB 4.41Å; F632-A680 HydrophobicContact CD1-CB 4.21Å; F632-A680 HydrophobicContact CD2-CB 3.93Å; F632-A680 HydrophobicContact CE1-CB 4Å; F632-A680 HydrophobicContact CE2-CB 3.68Å; F632-A680 HydrophobicContact CG-CB 4.19Å; F632-A680 HydrophobicContact CZ-CB 3.73Å; F632-R683 HydrophobicContact CB-CB 3.56Å; F632-R683 HydrophobicContact CB-CG 4.2Å; F632-L684 HydrophobicContact CB-CD2 4.48Å; F632-L684 HydrophobicContact CB-CG 4.38Å; F632-L684 HydrophobicContact CD1-CD1 4.44Å; F632-L684 WeakPolarHBondContact O-CD2 3.43Å
633H98.4Very high98.1Very high15 Ų1516 Ų167%0.0698%0.076CC..Hα-helixtrans-59-43170.1-17978.5000111.4S629 L631 I635 N636 M637 E766 L769S629-H633 VanDerWaalsContact O-CB 3.27Å; S629-H633 WeakPolarHBondContact O-CB 3.49Å; S629-H633 PolarHBondContact O-N 3.16Å; L631-H633 VanDerWaalsContact C-N 3.34Å; H633-I635 PolarHBondContact O-N 3.39Å; H633-N636 WeakPolarHBondContact O-CB 3.33Å; H633-N636 PolarHBondContact O-N 2.83Å; H633-M637 VanDerWaalsContact O-CB 3.3Å; H633-M637 WeakPolarHBondContact O-CB 3.35Å; H633-M637 PolarHBondContact O-N 3.02Å; H633-E766 PolarHBondContact NE2-O 2.69Å; H633-L769 HydrophobicContact CB-CB 4.09Å; H633-L769 HydrophobicContact CB-CD2 4.09Å
634Y98.5Very high98.2Very high30 Ų3016.3 Ų16.312%0.1188%0.078CC..Hα-helixtrans-62-42177.3-169.7-91.7000112.4K579 L582 H583 M586 Q630 L631 F632 M637 Y638K579-Y634 HydrophobicContact CB-CD2 4.26Å; K579-Y634 HydrophobicContact CB-CE2 4.39Å; K579-Y634 HydrophobicContact CD-CD2 3.99Å; K579-Y634 HydrophobicContact CG-CD2 3.97Å; K579-Y634 HydrophobicContact CG-CG 4.16Å; L582-Y634 HydrophobicContact CD2-CD1 3.84Å; L582-Y634 HydrophobicContact CD2-CG 4.48Å; L582-Y634 HydrophobicContact CG-CD1 4.17Å; H583-Y634 HydrophobicContact CB-CE1 4.11Å; H583-Y634 WeakPolarHBondContact CB-OH 3.29Å; H583-Y634 AromaticContact ND1-CZ 3.95Å; H583-Y634 PolarHBondContact ND1-OH 3.33Å; M586-Y634 HydrophobicContact CG-CE1 4.46Å; Q630-Y634 WeakPolarHBondContact O-CB 3.41Å; Q630-Y634 PolarHBondContact O-N 2.8Å; L631-Y634 WeakPolarHBondContact O-CB 3.49Å; L631-Y634 PolarHBondContact O-N 3.5Å; L631-Y634 VanDerWaalsContact O-N 3.14Å; F632-Y634 VanDerWaalsContact C-N 3.29Å; F632-Y634 PolarHBondContact O-N 3.46Å; Y634-M637 HydrophobicContact CD2-CE 3.66Å; Y634-M637 HydrophobicContact CE2-CE 3.63Å; Y634-M637 HydrophobicContact CG-CE 4.38Å; Y634-Y638 HydrophobicContact CE1-CD2 4.44Å; Y634-Y638 VanDerWaalsContact O-CB 3.23Å; Y634-Y638 WeakPolarHBondContact O-CB 3.24Å; Y634-Y638 PolarHBondContact O-N 2.85Å
635I98.7Very high98.2Very high0 Ų017.3 Ų17.30%09%0.085CC..Hα-helixtrans-61.5-48.6174.5-65.9170.3000110.4L582 M586 L607 L631 F632 H633 Y638 L639 L667 L684L582-I635 HydrophobicContact CD1-CD1 4.42Å; L582-I635 HydrophobicContact CD1-CG1 4.36Å; L582-I635 HydrophobicContact CD2-CD1 4.34Å; L582-I635 HydrophobicContact CD2-CG1 3.92Å; L582-I635 HydrophobicContact CG-CG1 4.49Å; M586-I635 HydrophobicContact CE-CB 4.4Å; M586-I635 HydrophobicContact CE-CG1 4.34Å; M586-I635 HydrophobicContact CE-CG2 4.1Å; M586-I635 HydrophobicContact SD-CG1 4.11Å; L607-I635 HydrophobicContact CD1-CD1 4.22Å; L607-I635 HydrophobicContact CD2-CD1 4.41Å; L631-I635 WeakPolarHBondContact O-CG1 3.46Å; L631-I635 PolarHBondContact O-N 2.9Å; F632-I635 HydrophobicContact CD1-CD1 4.27Å; F632-I635 PolarHBondContact O-N 2.92Å; H633-I635 PolarHBondContact O-N 3.39Å; I635-Y638 PolarHBondContact O-N 3.2Å; I635-L639 HydrophobicContact CG2-CD1 3.72Å; I635-L639 HydrophobicContact CG2-CG 4.39Å; I635-L639 WeakPolarHBondContact O-CB 3.29Å; I635-L639 VanDerWaalsContact O-CG 3.29Å; I635-L639 WeakPolarHBondContact O-CG 3.44Å; I635-L639 PolarHBondContact O-N 3.32Å; I635-L667 HydrophobicContact CD1-CD1 4.41Å; I635-L667 HydrophobicContact CG2-CD1 4.35Å; I635-L684 HydrophobicContact CB-CD2 3.91Å; I635-L684 HydrophobicContact CG2-CD2 3.68Å
636N98.6Very high98.2Very high2 Ų225 Ų251%0.01111%0.109CC..Hα-helixtrans-55.2-54.7177.1176.969000111.2F632 H633 Y638 L639 F640 R683 L684 R686 V687 E765F632-N636 WeakPolarHBondContact O-CB 3.24Å; F632-N636 PolarHBondContact O-N 3.26Å; H633-N636 WeakPolarHBondContact O-CB 3.33Å; H633-N636 PolarHBondContact O-N 2.83Å; N636-Y638 PolarHBondContact O-N 3.43Å; N636-L639 PolarHBondContact O-N 3.49Å; N636-F640 WeakPolarHBondContact O-CB 3.45Å; N636-F640 PolarHBondContact O-N 3Å; N636-R683 WeakPolarHBondContact CB-O 3.25Å; N636-R683 VanDerWaalsContact CG-O 3.22Å; N636-L684 HydrophobicContact CB-CD2 4.1Å; N636-R686 WeakPolarHBondContact OD1-CB 2.98Å; N636-V687 HydrophobicContact CB-CG1 4.46Å; N636-V687 WeakPolarHBondContact OD1-CB 3.19Å; N636-V687 WeakPolarHBondContact OD1-CG1 3.3Å; N636-V687 PolarHBondContact OD1-N 2.87Å; N636-E765 PolarHBondContact ND2-OE2 2.71Å
637M98Very high98.2Very high16 Ų1629 Ų298%0.07913%0.128CC..Hα-helixtrans-59.2-48-179.5177.2-82.5-6400111.3H633 Y634 L639 N641 E765 I767H633-M637 VanDerWaalsContact O-CB 3.3Å; H633-M637 WeakPolarHBondContact O-CB 3.35Å; H633-M637 PolarHBondContact O-N 3.02Å; Y634-M637 HydrophobicContact CD2-CE 3.66Å; Y634-M637 HydrophobicContact CE2-CE 3.63Å; Y634-M637 HydrophobicContact CG-CE 4.38Å; M637-L639 PolarHBondContact O-N 3.46Å; M637-N641 WeakPolarHBondContact CG-ND2 3.29Å; M637-N641 WeakPolarHBondContact O-CB 3.45Å; M637-N641 PolarHBondContact O-N 3.31Å; M637-N641 PolarHBondContact SD-ND2 3.49Å; M637-E765 HydrophobicContact CB-CB 4.19Å; M637-E765 HydrophobicContact CG-CB 4.13Å; M637-I767 HydrophobicContact CE-CB 4.47Å; M637-I767 HydrophobicContact CE-CG2 4.17Å; M637-I767 HydrophobicContact SD-CG1 4.38Å
638Y98.6Very high98.1Very high47 Ų4729 Ų2918%0.18413%0.128CC..Hα-helixtrans-60.1-49.3-179.1-175.9-80.6000111.8H583 M586 L590 Y634 I635 N636 W642H583-Y638 AromaticContact CE1-CE2 3.78Å; H583-Y638 AromaticContact ND1-CD2 3.99Å; H583-Y638 AromaticContact ND1-CE2 3.7Å; M586-Y638 HydrophobicContact CB-CD1 3.73Å; M586-Y638 HydrophobicContact CB-CD2 4.12Å; M586-Y638 HydrophobicContact CB-CE1 3.42Å; M586-Y638 VanDerWaalsContact CB-CE1 3.42Å; M586-Y638 HydrophobicContact CB-CE2 3.84Å; M586-Y638 HydrophobicContact CB-CG 4.08Å; M586-Y638 VanDerWaalsContact CB-CZ 3.48Å; M586-Y638 HydrophobicContact CE-CD1 3.66Å; M586-Y638 HydrophobicContact CE-CE1 4.36Å; M586-Y638 HydrophobicContact CE-CG 4.07Å; M586-Y638 HydrophobicContact CG-CD1 4.04Å; M586-Y638 HydrophobicContact CG-CD2 4.12Å; M586-Y638 HydrophobicContact CG-CE1 4.23Å; M586-Y638 HydrophobicContact CG-CE2 4.3Å; M586-Y638 HydrophobicContact CG-CG 3.99Å; L590-Y638 HydrophobicContact CD1-CD1 4.36Å; L590-Y638 HydrophobicContact CD1-CE1 3.6Å; L590-Y638 HydrophobicContact CG-CE1 4.47Å; Y634-Y638 HydrophobicContact CE1-CD2 4.44Å; Y634-Y638 VanDerWaalsContact O-CB 3.23Å; Y634-Y638 WeakPolarHBondContact O-CB 3.24Å; Y634-Y638 PolarHBondContact O-N 2.85Å; I635-Y638 PolarHBondContact O-N 3.2Å; N636-Y638 PolarHBondContact O-N 3.43Å; Y638-W642 VanDerWaalsContact O-CB 3.3Å; Y638-W642 WeakPolarHBondContact O-CB 3.48Å; Y638-W642 PolarHBondContact O-N 2.73Å
639L98.7Very high98Very high0 Ų029.8 Ų29.80%014%0.135CC..Hα-helixtrans-71.4-42.2-177-65.9175.6000111.9M586 L589 L590 I635 N636 M637 L643 L664 V687M586-L639 HydrophobicContact CE-CD1 4.41Å; M586-L639 HydrophobicContact CE-CD2 3.94Å; M586-L639 HydrophobicContact CE-CG 3.9Å; L589-L639 HydrophobicContact CB-CD2 4.27Å; L590-L639 HydrophobicContact CD2-CD2 3.6Å; L590-L639 HydrophobicContact CG-CD2 4.08Å; I635-L639 HydrophobicContact CG2-CD1 3.72Å; I635-L639 HydrophobicContact CG2-CG 4.39Å; I635-L639 WeakPolarHBondContact O-CB 3.29Å; I635-L639 VanDerWaalsContact O-CG 3.29Å; I635-L639 WeakPolarHBondContact O-CG 3.44Å; I635-L639 PolarHBondContact O-N 3.32Å; N636-L639 PolarHBondContact O-N 3.49Å; M637-L639 PolarHBondContact O-N 3.46Å; L639-L643 WeakPolarHBondContact O-CB 3.38Å; L639-L643 PolarHBondContact O-N 2.94Å; L639-L664 HydrophobicContact CD1-CD2 3.73Å; L639-L664 HydrophobicContact CD1-CG 4.49Å; L639-V687 HydrophobicContact CB-CG2 3.83Å
640F98.6Very high97.9Very high0 Ų032.6 Ų32.60%015%0.151CC..Hα-helixtrans-68.4-46.5180-174.2-90.6000111.6N636 W642 L643 V644 R686 V687 A690 L713 Q717 L721 L763 E765N636-F640 WeakPolarHBondContact O-CB 3.45Å; N636-F640 PolarHBondContact O-N 3Å; F640-W642 VanDerWaalsContact C-N 3.3Å; F640-W642 PolarHBondContact O-N 3.18Å; F640-L643 WeakPolarHBondContact O-CB 3.29Å; F640-L643 PolarHBondContact O-N 3Å; F640-V644 HydrophobicContact CE1-CG1 3.9Å; F640-V644 HydrophobicContact CE1-CG2 4.44Å; F640-V644 HydrophobicContact CZ-CG1 3.91Å; F640-V644 PolarHBondContact O-N 2.99Å; F640-V644 VanDerWaalsContact O-N 3.09Å; F640-R686 HydrophobicContact CD2-CG 3.9Å; F640-R686 HydrophobicContact CE2-CG 3.97Å; F640-R686 HydrophobicContact CG-CG 4.25Å; F640-R686 HydrophobicContact CZ-CG 4.38Å; F640-V687 HydrophobicContact CB-CB 4.4Å; F640-A690 HydrophobicContact CD2-CB 3.94Å; F640-A690 HydrophobicContact CE2-CB 3.84Å; F640-L713 HydrophobicContact CE2-CD2 3.5Å; F640-L713 VanDerWaalsContact CE2-CD2 3.5Å; F640-L713 HydrophobicContact CZ-CD2 3.97Å; F640-Q717 HydrophobicContact CE1-CG 4.03Å; F640-Q717 VanDerWaalsContact CE1-NE2 3.25Å; F640-Q717 HydrophobicContact CZ-CB 3.98Å; F640-Q717 VanDerWaalsContact CZ-CD 3.45Å; F640-Q717 HydrophobicContact CZ-CG 3.66Å; F640-L721 HydrophobicContact CE2-CD1 4.45Å; F640-L763 WeakPolarHBondContact CE1-O 3.24Å; F640-E765 HydrophobicContact CB-CG 4.4Å; F640-E765 HydrophobicContact CD1-CB 4.45Å; F640-E765 HydrophobicContact CD1-CG 3.71Å; F640-E765 HydrophobicContact CE1-CG 4.35Å; F640-E765 HydrophobicContact CG-CG 4.19Å
641N98.6Very high97.9Very high21 Ų2134.3 Ų34.311%0.11216%0.157CC..Hα-helixtrans-65.1-35.7178.4-67.9-0.5000111.4M637 S645 E764 E765M637-N641 WeakPolarHBondContact CG-ND2 3.29Å; M637-N641 WeakPolarHBondContact O-CB 3.45Å; M637-N641 PolarHBondContact O-N 3.31Å; M637-N641 PolarHBondContact SD-ND2 3.49Å; N641-S645 WeakPolarHBondContact O-CB 3.02Å; N641-S645 PolarHBondContact O-N 3.1Å; N641-S645 VanDerWaalsContact O-N 3.11Å; N641-E764 WeakPolarHBondContact OD1-CA 3.41Å; N641-E765 PolarHBondContact ND2-O 2.82Å; N641-E765 PolarHBondContact OD1-N 3.36Å
642W98.4Very high97.8Very high29 Ų2934.3 Ų34.311%0.1116%0.157CC..Hα-helixtrans-61.4-44.9169.417686.7000111.4L590 Y638 F640 V644 S645 G648 Y651 W656L590-W642 HydrophobicContact CB-CZ2 4.35Å; L590-W642 HydrophobicContact CD1-CB 3.94Å; L590-W642 HydrophobicContact CD1-CD2 3.59Å; L590-W642 HydrophobicContact CD1-CE3 4.28Å; L590-W642 HydrophobicContact CD1-CG 3.41Å; L590-W642 VanDerWaalsContact CD1-CG 3.41Å; L590-W642 HydrophobicContact CD2-CD2 3.7Å; L590-W642 HydrophobicContact CD2-CE3 3.49Å; L590-W642 VanDerWaalsContact CD2-CE3 3.49Å; L590-W642 HydrophobicContact CD2-CG 4.3Å; L590-W642 HydrophobicContact CD2-CH2 4.18Å; L590-W642 HydrophobicContact CD2-CZ2 4.37Å; L590-W642 HydrophobicContact CD2-CZ3 3.77Å; L590-W642 HydrophobicContact CG-CD2 4.18Å; L590-W642 HydrophobicContact CG-CE3 4.45Å; L590-W642 HydrophobicContact CG-CG 4.45Å; Y638-W642 VanDerWaalsContact O-CB 3.3Å; Y638-W642 WeakPolarHBondContact O-CB 3.48Å; Y638-W642 PolarHBondContact O-N 2.73Å; F640-W642 VanDerWaalsContact C-N 3.3Å; F640-W642 PolarHBondContact O-N 3.18Å; W642-V644 VanDerWaalsContact C-N 3.3Å; W642-V644 PolarHBondContact O-N 3.4Å; W642-S645 VanDerWaalsContact O-CB 3.24Å; W642-S645 WeakPolarHBondContact O-CB 3.38Å; W642-S645 PolarHBondContact O-N 3.49Å; W642-S645 PolarHBondContact O-OG 2.89Å; W642-G648 VanDerWaalsContact O-CA 3.23Å; W642-G648 WeakPolarHBondContact O-CA 3.43Å; W642-G648 PolarHBondContact O-N 2.78Å; W642-Y651 AromaticContact CH2-CD2 3.48Å; W642-Y651 HydrophobicContact CH2-CD2 3.48Å; W642-Y651 VanDerWaalsContact CH2-CD2 3.48Å; W642-Y651 HydrophobicContact CH2-CE2 4.2Å; W642-Y651 AromaticContact CH2-CG 3.68Å; W642-Y651 HydrophobicContact CH2-CG 3.68Å; W642-Y651 AromaticContact CZ2-CD2 3.56Å; W642-Y651 HydrophobicContact CZ2-CD2 3.56Å; W642-Y651 AromaticContact CZ2-CE2 3.89Å; W642-Y651 HydrophobicContact CZ2-CE2 3.89Å; W642-Y651 HydrophobicContact CZ2-CG 4.22Å; W642-W656 AromaticContact CH2-CE2 3.95Å; W642-W656 AromaticContact CH2-CZ2 3.88Å; W642-W656 HydrophobicContact CH2-CZ2 3.88Å; W642-W656 AromaticContact CH2-NE1 3.73Å; W642-W656 HydrophobicContact CZ3-CZ2 4.22Å; W642-W656 AromaticContact CZ3-NE1 3.49Å
643L98Very high97.7Very high0 Ų038.2 Ų38.20%017%0.172CC..Hα-helixtrans-61.5-36.8-176.8-171.764.4000112.8L639 F640 S645 G648 A649 A690 L694 L721L639-L643 WeakPolarHBondContact O-CB 3.38Å; L639-L643 PolarHBondContact O-N 2.94Å; F640-L643 WeakPolarHBondContact O-CB 3.29Å; F640-L643 PolarHBondContact O-N 3Å; L643-S645 VanDerWaalsContact C-N 3.34Å; L643-G648 CarbonylContact O-C 3.56Å; L643-A649 PolarHBondContact O-N 3.34Å; L643-A690 HydrophobicContact CD2-CB 3.91Å; L643-L694 HydrophobicContact CD1-CD1 3.95Å; L643-L694 HydrophobicContact CD2-CD1 3.98Å; L643-L694 HydrophobicContact CG-CD1 4.5Å; L643-L721 HydrophobicContact CD2-CD2 3.69Å; L643-L721 HydrophobicContact CG-CD2 3.82Å
644V97.8Very high97.7Very high8 Ų838.1 Ų38.15%0.04817%0.171CC..THydrogen-bonded Turntrans-88.81.6175.6-55.30000113.6F640 W642 H720 L721 L763 E764F640-V644 HydrophobicContact CE1-CG1 3.9Å; F640-V644 HydrophobicContact CE1-CG2 4.44Å; F640-V644 HydrophobicContact CZ-CG1 3.91Å; F640-V644 PolarHBondContact O-N 2.99Å; F640-V644 VanDerWaalsContact O-N 3.09Å; W642-V644 VanDerWaalsContact C-N 3.3Å; W642-V644 PolarHBondContact O-N 3.4Å; V644-H720 PolarHBondContact O-NE2 2.83Å; V644-H720 VanDerWaalsContact O-NE2 3.1Å; V644-L721 HydrophobicContact CG1-CD2 4.24Å; V644-L763 HydrophobicContact CB-CD1 4.09Å; V644-L763 HydrophobicContact CB-CD2 4.5Å; V644-L763 HydrophobicContact CB-CG 4.2Å; V644-L763 HydrophobicContact CG1-CD1 4.12Å; V644-L763 HydrophobicContact CG2-CD1 4.48Å; V644-L763 HydrophobicContact CG2-CG 4.14Å; V644-E764 HydrophobicContact CG2-CG 4.18Å
645S98Very high97.6Very high35 Ų3539.5 Ų39.525%0.24519%0.186CC..SBendtrans-78166.1173.5800000111.3N641 W642 L643 E647 G648 A649N641-S645 WeakPolarHBondContact O-CB 3.02Å; N641-S645 PolarHBondContact O-N 3.1Å; N641-S645 VanDerWaalsContact O-N 3.11Å; W642-S645 VanDerWaalsContact O-CB 3.24Å; W642-S645 WeakPolarHBondContact O-CB 3.38Å; W642-S645 PolarHBondContact O-N 3.49Å; W642-S645 PolarHBondContact O-OG 2.89Å; L643-S645 VanDerWaalsContact C-N 3.34Å; S645-E647 PolarHBondContact O-N 2.71Å; S645-E647 PolarHBondContact OG-N 3.41Å; S645-G648 PolarHBondContact O-N 3.49Å; S645-G648 PolarHBondContact OG-N 3.39Å; S645-A649 VanDerWaalsContact O-CB 3.25Å; S645-A649 WeakPolarHBondContact O-CB 3.29Å; S645-A649 PolarHBondContact O-N 3.18Å
646R96.7Very high97.5Very high241 Ų24140 Ų4091%0.90919%0.187SC*.THydrogen-bonded Turntrans-57.7-33.1175.1-67.1-176.3179.7-175.60113.5
647E96.4Very high97.5Very high126 Ų12639.9 Ų39.959%0.58919%0.187SC*.THydrogen-bonded Turntrans-76.4-51.4179.3-173.4179.4170.700110.7S645 A649 T650S645-E647 PolarHBondContact O-N 2.71Å; S645-E647 PolarHBondContact OG-N 3.41Å; E647-A649 VanDerWaalsContact C-N 3.3Å; E647-A649 PolarHBondContact O-N 2.85Å; E647-T650 WeakPolarHBondContact O-CB 3.48Å; E647-T650 PolarHBondContact O-N 2.88Å; E647-T650 VanDerWaalsContact O-N 3.15Å; E647-T650 PolarHBondContact O-OG1 2.9Å
648G97Very high97.5Very high0 Ų043.5 Ų43.50%020%0.202CC..G310 helixtrans-66.3-28.1179.600000114W642 L643 S645 T650 Y651 C652W642-G648 VanDerWaalsContact O-CA 3.23Å; W642-G648 WeakPolarHBondContact O-CA 3.43Å; W642-G648 PolarHBondContact O-N 2.78Å; L643-G648 CarbonylContact O-C 3.56Å; S645-G648 PolarHBondContact O-N 3.49Å; S645-G648 PolarHBondContact OG-N 3.39Å; G648-T650 PolarHBondContact O-N 2.81Å; G648-T650 VanDerWaalsContact O-N 3.11Å; G648-Y651 WeakPolarHBondContact O-CA 3.34Å; G648-Y651 WeakPolarHBondContact O-CB 3.47Å; G648-Y651 PolarHBondContact O-N 2.94Å; G648-C652 PolarHBondContact O-N 3.37Å
649A96.1Very high97.4Very high17 Ų1745.7 Ų45.714%0.1421%0.21CC..G310 helixtrans-54.2-31.8172.600000112.4L643 S645 E647 Y651 C652 C724L643-A649 PolarHBondContact O-N 3.34Å; S645-A649 VanDerWaalsContact O-CB 3.25Å; S645-A649 WeakPolarHBondContact O-CB 3.29Å; S645-A649 PolarHBondContact O-N 3.18Å; E647-A649 VanDerWaalsContact C-N 3.3Å; E647-A649 PolarHBondContact O-N 2.85Å; A649-Y651 PolarHBondContact O-N 3.48Å; A649-C652 PolarHBondContact O-N 3.47Å; A649-C724 HydrophobicContact CB-CB 3.93Å
650T96.1Very high97.4Very high72 Ų7245.7 Ų45.744%0.44221%0.21SC..G310 helixtrans-70-8.5176.271.70000113.7E647 G648 R653E647-T650 WeakPolarHBondContact O-CB 3.48Å; E647-T650 PolarHBondContact O-N 2.88Å; E647-T650 VanDerWaalsContact O-N 3.15Å; E647-T650 PolarHBondContact O-OG1 2.9Å; G648-T650 PolarHBondContact O-N 2.81Å; G648-T650 VanDerWaalsContact O-N 3.11Å; T650-R653 PolarHBondContact O-NH1 2.95Å; T650-R653 PolarHBondContact O-NH2 2.89Å
651Y96.8Very high97.4Very high61 Ų6149.5 Ų49.524%0.23923%0.226CC..G310 helixtrans-112.23.6178.6-64.8-88.8000113.2P592 W642 G648 A649 R653 W656P592-Y651 HydrophobicContact CB-CE1 3.85Å; P592-Y651 HydrophobicContact CG-CE1 3.91Å; W642-Y651 AromaticContact CH2-CD2 3.48Å; W642-Y651 HydrophobicContact CH2-CD2 3.48Å; W642-Y651 VanDerWaalsContact CH2-CD2 3.48Å; W642-Y651 HydrophobicContact CH2-CE2 4.2Å; W642-Y651 AromaticContact CH2-CG 3.68Å; W642-Y651 HydrophobicContact CH2-CG 3.68Å; W642-Y651 AromaticContact CZ2-CD2 3.56Å; W642-Y651 HydrophobicContact CZ2-CD2 3.56Å; W642-Y651 AromaticContact CZ2-CE2 3.89Å; W642-Y651 HydrophobicContact CZ2-CE2 3.89Å; W642-Y651 HydrophobicContact CZ2-CG 4.22Å; G648-Y651 WeakPolarHBondContact O-CA 3.34Å; G648-Y651 WeakPolarHBondContact O-CB 3.47Å; G648-Y651 PolarHBondContact O-N 2.94Å; A649-Y651 PolarHBondContact O-N 3.48Å; Y651-R653 VanDerWaalsContact C-N 3.26Å; Y651-R653 PolarHBondContact O-N 2.86Å; Y651-W656 HydrophobicContact CD1-CD2 4.18Å; Y651-W656 HydrophobicContact CD1-CE3 4.27Å; Y651-W656 WeakPolarHBondContact O-CB 3.27Å; Y651-W656 VanDerWaalsContact O-CD1 3.29Å
652C97.4Very high97.3Very high0 Ų050.1 Ų50.10%024%0.235CC..  trans-6881.3173-70.70000110.9G648 A649 L694 C724 Y725 S726G648-C652 PolarHBondContact O-N 3.37Å; A649-C652 PolarHBondContact O-N 3.47Å; C652-L694 HydrophobicContact CB-CD2 4.05Å; C652-C724 HydrophobicContact CB-CB 4.4Å; C652-Y725 CarbonylContact O-C 3.6Å; C652-Y725 WeakPolarHBondContact O-CA 3.4Å; C652-Y725 WeakPolarHBondContact O-CD2 3.43Å; C652-S726 PolarHBondContact O-N 3.17Å
653R97Very high97.3Very high82 Ų8248.8 Ų48.831%0.30923%0.23SC..SBendtrans-145.5163.7-179-55.1-161.8-177.278.419.8111.1T650 Y651 S655 W656 G657 S726 E728T650-R653 PolarHBondContact O-NH1 2.95Å; T650-R653 PolarHBondContact O-NH2 2.89Å; Y651-R653 VanDerWaalsContact C-N 3.26Å; Y651-R653 PolarHBondContact O-N 2.86Å; R653-S655 PolarHBondContact O-N 3.23Å; R653-W656 PolarHBondContact O-N 3.31Å; R653-G657 PolarHBondContact O-N 3.31Å; R653-S726 WeakPolarHBondContact CG-O 3.24Å; R653-S726 PolarHBondContact NH2-OG 2.94Å; R653-E728 HydrophobicContact CB-CG 4.15Å
654Q97.5Very high97.4Very high14 Ų1448.9 Ų48.97%0.06523%0.23CC..Hα-helixtrans-62.4-47.3-178.4-153.8-173.452.100112.7W656 G657 K658 L694 E695 Y725Q654-W656 VanDerWaalsContact C-N 3.27Å; Q654-W656 PolarHBondContact O-N 2.96Å; Q654-G657 PolarHBondContact O-N 3.09Å; Q654-K658 VanDerWaalsContact CD-NZ 3.35Å; Q654-K658 WeakPolarHBondContact O-CG 3.34Å; Q654-K658 PolarHBondContact O-N 2.93Å; Q654-L694 WeakPolarHBondContact CA-O 3.45Å; Q654-E695 VanDerWaalsContact CG-O 3.27Å; Q654-E695 WeakPolarHBondContact CG-O 3.35Å; Q654-E695 PolarHBondContact NE2-O 3.15Å; Q654-Y725 WeakPolarHBondContact CA-OH 3.46Å; Q654-Y725 VanDerWaalsContact CB-OH 3.28Å; Q654-Y725 WeakPolarHBondContact CB-OH 3.43Å; Q654-Y725 PolarHBondContact N-OH 2.87Å
655S96.5Very high97.3Very high59 Ų5950.6 Ų50.641%0.41324%0.242SC..Hα-helixtrans-57-40.4179.362.80000112.7R653 R659 E728R653-S655 PolarHBondContact O-N 3.23Å; S655-R659 WeakPolarHBondContact O-CB 3.45Å; S655-R659 PolarHBondContact O-N 3.38Å; S655-R659 VanDerWaalsContact O-N 3.07Å; S655-E728 WeakPolarHBondContact CB-OE1 3.27Å; S655-E728 WeakPolarHBondContact CB-OE2 3.27Å; S655-E728 PolarHBondContact N-OE2 2.97Å; S655-E728 PolarHBondContact OG-OE1 3.37Å
656W97.6Very high97.3Very high9 Ų952.8 Ų52.83%0.03425%0.249CC..Hα-helixtrans-72.3-41.3177.4-171-110.8000112.4L590 P592 W642 Y651 R653 Q654 K658 R659 L660L590-W656 HydrophobicContact CD2-CZ2 4.49Å; L590-W656 WeakPolarHBondContact O-CH2 3.33Å; P592-W656 HydrophobicContact CB-CH2 4.43Å; P592-W656 HydrophobicContact CB-CZ3 3.94Å; W642-W656 AromaticContact CH2-CE2 3.95Å; W642-W656 AromaticContact CH2-CZ2 3.88Å; W642-W656 HydrophobicContact CH2-CZ2 3.88Å; W642-W656 AromaticContact CH2-NE1 3.73Å; W642-W656 HydrophobicContact CZ3-CZ2 4.22Å; W642-W656 AromaticContact CZ3-NE1 3.49Å; Y651-W656 HydrophobicContact CD1-CD2 4.18Å; Y651-W656 HydrophobicContact CD1-CE3 4.27Å; Y651-W656 WeakPolarHBondContact O-CB 3.27Å; Y651-W656 VanDerWaalsContact O-CD1 3.29Å; R653-W656 PolarHBondContact O-N 3.31Å; Q654-W656 VanDerWaalsContact C-N 3.27Å; Q654-W656 PolarHBondContact O-N 2.96Å; W656-K658 VanDerWaalsContact C-N 3.33Å; W656-K658 PolarHBondContact O-N 3.5Å; W656-R659 HydrophobicContact CE3-CB 4.46Å; W656-R659 PolarHBondContact O-N 3.4Å; W656-R659 VanDerWaalsContact O-N 3.14Å; W656-L660 WeakPolarHBondContact O-CB 3.4Å; W656-L660 PolarHBondContact O-N 3.44Å
657G97.7Very high97.3Very high0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-54.4-48.8173.300000111.9R653 Q654 R659 K661R653-G657 PolarHBondContact O-N 3.31Å; Q654-G657 PolarHBondContact O-N 3.09Å; G657-R659 PolarHBondContact O-N 3.19Å; G657-K661 VanDerWaalsContact O-CB 3.24Å; G657-K661 WeakPolarHBondContact O-CB 3.48Å; G657-K661 PolarHBondContact O-N 3.24Å
658K97.5Very high97.4Very high92 Ų9236.9 Ų36.940%0.419%0.186SC..Hα-helixtrans-57.7-46.5174.6-72.5170.21781650112Q654 W656 A662 E695Q654-K658 VanDerWaalsContact CD-NZ 3.35Å; Q654-K658 WeakPolarHBondContact O-CG 3.34Å; Q654-K658 PolarHBondContact O-N 2.93Å; W656-K658 VanDerWaalsContact C-N 3.33Å; W656-K658 PolarHBondContact O-N 3.5Å; K658-A662 WeakPolarHBondContact O-CB 3.24Å; K658-A662 PolarHBondContact O-N 3.09Å; K658-E695 HydrophobicContact CG-CB 4.22Å; K658-E695 HydrophobicContact CG-CG 3.68Å
659R97.7Very high97.4Very high93 Ų9340.7 Ų40.735%0.35121%0.206SC..Hα-helixtrans-65.6-49.9-178.6-175.2176.7-76.2179.6-7.1112.4P592 D596 S655 W656 G657 K661 A662 R663P592-R659 PolarHBondContact O-NH1 2.72Å; D596-R659 WeakPolarHBondContact OD1-CG 3.27Å; S655-R659 WeakPolarHBondContact O-CB 3.45Å; S655-R659 PolarHBondContact O-N 3.38Å; S655-R659 VanDerWaalsContact O-N 3.07Å; W656-R659 HydrophobicContact CE3-CB 4.46Å; W656-R659 PolarHBondContact O-N 3.4Å; W656-R659 VanDerWaalsContact O-N 3.14Å; G657-R659 PolarHBondContact O-N 3.19Å; R659-K661 VanDerWaalsContact C-N 3.3Å; R659-K661 PolarHBondContact O-N 2.91Å; R659-A662 WeakPolarHBondContact O-CB 3.39Å; R659-A662 PolarHBondContact O-N 3.08Å; R659-R663 WeakPolarHBondContact O-CG 3.24Å; R659-R663 PolarHBondContact O-N 3.06Å
660L98.1Very high97.4Very high0 Ų040.3 Ų40.30%020%0.201CC..Hα-helixtrans-66-35.9-179.2-173.256.3000111.1W656 R663 L664 V691W656-L660 WeakPolarHBondContact O-CB 3.4Å; W656-L660 PolarHBondContact O-N 3.44Å; L660-R663 PolarHBondContact O-N 3.46Å; L660-L664 HydrophobicContact CG-CD1 4.29Å; L660-L664 WeakPolarHBondContact O-CB 3.4Å; L660-L664 WeakPolarHBondContact O-CG 3.24Å; L660-L664 PolarHBondContact O-N 3.09Å; L660-V691 HydrophobicContact CB-CG1 3.87Å; L660-V691 HydrophobicContact CD2-CG1 3.61Å; L660-V691 HydrophobicContact CG-CG1 3.72Å
661K98.1Very high97.4Very high80 Ų8036.9 Ų36.935%0.34818%0.18SC..Hα-helixtrans-60.8-45.6170.7-172.7-178.5-176.2-171.90112.3G657 R659 R663 L664 S665 V691 E695G657-K661 VanDerWaalsContact O-CB 3.24Å; G657-K661 WeakPolarHBondContact O-CB 3.48Å; G657-K661 PolarHBondContact O-N 3.24Å; R659-K661 VanDerWaalsContact C-N 3.3Å; R659-K661 PolarHBondContact O-N 2.91Å; K661-R663 VanDerWaalsContact C-N 3.35Å; K661-R663 PolarHBondContact O-N 2.9Å; K661-L664 PolarHBondContact O-N 3.36Å; K661-S665 PolarHBondContact O-N 3.07Å; K661-V691 HydrophobicContact CB-CB 4.3Å; K661-V691 HydrophobicContact CB-CG2 3.82Å; K661-V691 HydrophobicContact CG-CG2 4.21Å; K661-E695 WeakPolarHBondContact CD-OE2 3.35Å; K661-E695 WeakPolarHBondContact CE-OE2 3.46Å; K661-E695 IonicContact NZ-OE1 2.66Å; K661-E695 IonicContact NZ-OE2 2.66Å; K661-E695 PolarHBondContact NZ-OE2 3.4Å
662A98Very high97.2Very high35 Ų3539 Ų3929%0.28919%0.192SC..Hα-helixtrans-59.9-44.9175.300000111.3K658 R659 L664 S665 H666K658-A662 WeakPolarHBondContact O-CB 3.24Å; K658-A662 PolarHBondContact O-N 3.09Å; R659-A662 WeakPolarHBondContact O-CB 3.39Å; R659-A662 PolarHBondContact O-N 3.08Å; A662-L664 PolarHBondContact O-N 3.23Å; A662-S665 WeakPolarHBondContact O-CB 3.16Å; A662-S665 PolarHBondContact O-N 3.46Å; A662-S665 PolarHBondContact O-OG 3.23Å; A662-H666 PolarHBondContact O-CD2 2.82Å
663R98.2Very high97Very high0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-60.4-45.5175.5-69.6176.7-177.5-169.7-5.1112.6L589 D591 A594 D596 V600 R659 L660 K661 S665 H666L589-R663 HydrophobicContact CD2-CB 4.49Å; L589-R663 PolarHBondContact O-NH1 3.43Å; D591-R663 PolarHBondContact O-NH1 3.34Å; D591-R663 PolarHBondContact O-NH2 3.06Å; A594-R663 PolarHBondContact O-NH2 3.48Å; D596-R663 HydrophobicContact CB-CG 3.94Å; D596-R663 IonicContact OD1-CZ 3.17Å; D596-R663 IonicContact OD1-NE 3.66Å; D596-R663 PolarHBondContact OD1-NE 3.08Å; D596-R663 IonicContact OD1-NH2 3.71Å; V600-R663 HydrophobicContact CG2-CB 3.64Å; V600-R663 HydrophobicContact CG2-CG 3.92Å; V600-R663 WeakPolarHBondContact CG2-O 3.16Å; R659-R663 WeakPolarHBondContact O-CG 3.24Å; R659-R663 PolarHBondContact O-N 3.06Å; L660-R663 PolarHBondContact O-N 3.46Å; K661-R663 VanDerWaalsContact C-N 3.35Å; K661-R663 PolarHBondContact O-N 2.9Å; R663-S665 VanDerWaalsContact C-N 3.31Å; R663-S665 PolarHBondContact O-N 3.24Å; R663-H666 WeakPolarHBondContact O-CB 3.39Å; R663-H666 PolarHBondContact O-N 3.24Å
664L98.4Very high96.7Very high2 Ų244 Ų441%0.0122%0.219CC..Hα-helixtrans-63.3-34.7176.4-76.2168.1000112.6L639 L660 K661 A662 H666 L667 L668 V687 L688 V691L639-L664 HydrophobicContact CD1-CD2 3.73Å; L639-L664 HydrophobicContact CD1-CG 4.49Å; L660-L664 HydrophobicContact CG-CD1 4.29Å; L660-L664 WeakPolarHBondContact O-CB 3.4Å; L660-L664 WeakPolarHBondContact O-CG 3.24Å; L660-L664 PolarHBondContact O-N 3.09Å; K661-L664 PolarHBondContact O-N 3.36Å; A662-L664 PolarHBondContact O-N 3.23Å; L664-H666 PolarHBondContact O-N 3.44Å; L664-L667 WeakPolarHBondContact O-CB 3.19Å; L664-L667 PolarHBondContact O-N 3.12Å; L664-L668 PolarHBondContact O-N 2.83Å; L664-V687 HydrophobicContact CD1-CG1 3.98Å; L664-V687 HydrophobicContact CD1-CG2 4.12Å; L664-V687 HydrophobicContact CD2-CG1 4.35Å; L664-L688 HydrophobicContact CB-CD2 4.03Å; L664-L688 HydrophobicContact CD1-CD2 3.94Å; L664-V691 HydrophobicContact CD1-CG1 4.37Å; L664-V691 HydrophobicContact CD1-CG2 4.29Å
665S97.6Very high96.4Very high44 Ų4446.5 Ų46.531%0.30825%0.248SC..Hα-helixtrans-60.7-33.2177.778.70000112.9K661 A662 R663 L667 L668 N669K661-S665 PolarHBondContact O-N 3.07Å; A662-S665 WeakPolarHBondContact O-CB 3.16Å; A662-S665 PolarHBondContact O-N 3.46Å; A662-S665 PolarHBondContact O-OG 3.23Å; R663-S665 VanDerWaalsContact C-N 3.31Å; R663-S665 PolarHBondContact O-N 3.24Å; S665-L667 VanDerWaalsContact C-N 3.32Å; S665-L667 PolarHBondContact O-N 3.22Å; S665-L668 PolarHBondContact O-N 3.44Å; S665-N669 WeakPolarHBondContact O-CB 3.28Å; S665-N669 PolarHBondContact O-N 3.25Å; S665-N669 PolarHBondContact O-ND2 2.98Å; S665-N669 PolarHBondContact O-OD1 2.86Å
666H97.2Very high96.1Very high81 Ų8144 Ų4438%0.37523%0.231SC..Hα-helixtrans-65.1-35.7174.3-71.9-76.7000112.4V600 A662 R663 L664 W670V600-H666 HydrophobicContact CB-CB 4.49Å; V600-H666 HydrophobicContact CG1-CB 3.85Å; V600-H666 HydrophobicContact CG2-CB 4.34Å; A662-H666 PolarHBondContact O-CD2 2.82Å; R663-H666 WeakPolarHBondContact O-CB 3.39Å; R663-H666 PolarHBondContact O-N 3.24Å; L664-H666 PolarHBondContact O-N 3.44Å; H666-W670 WeakPolarHBondContact O-CB 3.41Å; H666-W670 PolarHBondContact O-N 3.31Å; H666-W670 VanDerWaalsContact O-N 3.12Å
667L97.6Very high96Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-72.7-39.9176.2-61.6-177.9000111.5V600 R604 L607 I635 L664 S665 W670 A671V600-L667 HydrophobicContact CG1-CD2 3.64Å; V600-L667 HydrophobicContact CG1-CG 4.1Å; R604-L667 HydrophobicContact CB-CD2 4.23Å; L607-L667 HydrophobicContact CD1-CD2 4.09Å; I635-L667 HydrophobicContact CD1-CD1 4.41Å; I635-L667 HydrophobicContact CG2-CD1 4.35Å; L664-L667 WeakPolarHBondContact O-CB 3.19Å; L664-L667 PolarHBondContact O-N 3.12Å; S665-L667 VanDerWaalsContact C-N 3.32Å; S665-L667 PolarHBondContact O-N 3.22Å; L667-W670 PolarHBondContact O-N 3.43Å; L667-A671 PolarHBondContact O-N 2.83Å
668L97.9Very high95.7Very high34 Ų3454 Ų5418%0.17828%0.281CS..Hα-helixtrans-63-49.2174.8-69.6171.5000111.6L664 S665 W670 A671 E672 A680 E681 L684 L688L664-L668 PolarHBondContact O-N 2.83Å; S665-L668 PolarHBondContact O-N 3.44Å; L668-W670 VanDerWaalsContact C-N 3.25Å; L668-W670 PolarHBondContact O-N 3.43Å; L668-A671 WeakPolarHBondContact O-CA 3.23Å; L668-A671 WeakPolarHBondContact O-CB 3.19Å; L668-A671 PolarHBondContact O-N 2.92Å; L668-E672 PolarHBondContact O-N 2.9Å; L668-A680 HydrophobicContact CD2-CB 3.97Å; L668-E681 HydrophobicContact CD2-CG 4.14Å; L668-L684 HydrophobicContact CD2-CD1 3.92Å; L668-L684 HydrophobicContact CG-CD1 4.49Å; L668-L688 HydrophobicContact CD1-CD1 3.98Å; L668-L688 HydrophobicContact CD1-CD2 3.99Å; L668-L688 HydrophobicContact CD2-CD1 4.42Å
669N96.3Very high95.4Very high79 Ų7950.2 Ų50.242%0.42227%0.267SS..Hα-helixtrans-59.9-37.3176.7-66.6-14.4000111.7S665 Q673S665-N669 WeakPolarHBondContact O-CB 3.28Å; S665-N669 PolarHBondContact O-N 3.25Å; S665-N669 PolarHBondContact O-ND2 2.98Å; S665-N669 PolarHBondContact O-OD1 2.86Å; N669-Q673 VanDerWaalsContact O-CG 3.29Å; N669-Q673 WeakPolarHBondContact O-CG 3.23Å; N669-Q673 PolarHBondContact O-N 3.49Å; N669-Q673 VanDerWaalsContact O-N 3.16Å
670W96.7Very high95.4Very high9 Ų945.8 Ų45.83%0.03425%0.25CS..Hα-helixtrans-65-44.3173.3174.185.1000111.4R604 L607 M611 F628 F632 H666 L667 L668 E672 Q673 Q674 L676R604-W670 HydrophobicContact CG-CG 4.28Å; L607-W670 HydrophobicContact CB-CD2 4.48Å; L607-W670 HydrophobicContact CB-CE3 4.2Å; L607-W670 HydrophobicContact CB-CH2 3.6Å; L607-W670 HydrophobicContact CB-CZ2 3.86Å; L607-W670 HydrophobicContact CB-CZ3 3.76Å; L607-W670 HydrophobicContact CD1-CE3 4.06Å; L607-W670 HydrophobicContact CD1-CZ3 4.03Å; L607-W670 HydrophobicContact CG-CZ3 4.39Å; L607-W670 WeakPolarHBondContact O-CZ2 3.35Å; M611-W670 HydrophobicContact CB-CH2 4.37Å; M611-W670 HydrophobicContact CB-CZ2 4.08Å; M611-W670 HydrophobicContact CE-CH2 4.45Å; F628-W670 HydrophobicContact CD1-CH2 4.44Å; F628-W670 HydrophobicContact CD1-CZ3 4.47Å; F628-W670 AromaticContact CE1-CH2 3.55Å; F628-W670 HydrophobicContact CE1-CH2 3.55Å; F628-W670 AromaticContact CE1-CZ3 3.94Å; F628-W670 HydrophobicContact CE1-CZ3 3.94Å; F628-W670 AromaticContact CZ-CH2 3.85Å; F628-W670 HydrophobicContact CZ-CH2 3.85Å; F632-W670 HydrophobicContact CE1-CZ3 4.48Å; F632-W670 HydrophobicContact CZ-CZ3 4.2Å; H666-W670 WeakPolarHBondContact O-CB 3.41Å; H666-W670 PolarHBondContact O-N 3.31Å; H666-W670 VanDerWaalsContact O-N 3.12Å; L667-W670 PolarHBondContact O-N 3.43Å; L668-W670 VanDerWaalsContact C-N 3.25Å; L668-W670 PolarHBondContact O-N 3.43Å; W670-E672 VanDerWaalsContact C-N 3.35Å; W670-E672 PolarHBondContact O-N 3.37Å; W670-Q673 PolarHBondContact O-N 2.96Å; W670-Q674 HydrophobicContact CD2-CG 4.17Å; W670-Q674 HydrophobicContact CH2-CG 3.95Å; W670-Q674 HydrophobicContact CZ2-CG 3.58Å; W670-Q674 HydrophobicContact CZ3-CG 4.42Å; W670-Q674 WeakPolarHBondContact O-CG 3.32Å; W670-Q674 PolarHBondContact O-N 3.03Å; W670-L676 HydrophobicContact CZ3-CD1 4.5Å
671A95.6Very high95.1Very high0 Ų050 Ų500%027%0.27CS..Hα-helixtrans-62.6-42178.900000111.6F632 L667 L668 Q673 Q674 G675 L676 A680F632-A671 HydrophobicContact CE1-CB 4.44Å; F632-A671 HydrophobicContact CZ-CB 3.85Å; L667-A671 PolarHBondContact O-N 2.83Å; L668-A671 WeakPolarHBondContact O-CA 3.23Å; L668-A671 WeakPolarHBondContact O-CB 3.19Å; L668-A671 PolarHBondContact O-N 2.92Å; A671-Q673 PolarHBondContact O-N 3.43Å; A671-Q674 CarbonylContact O-C 3.57Å; A671-Q674 PolarHBondContact O-N 3.45Å; A671-G675 PolarHBondContact O-N 3.02Å; A671-G675 VanDerWaalsContact O-N 3.15Å; A671-L676 HydrophobicContact CB-CB 4.13Å; A671-L676 WeakPolarHBondContact O-CA 3.47Å; A671-L676 PolarHBondContact O-N 3.46Å; A671-A680 HydrophobicContact CB-CB 3.56Å
672E93.3Very high95Very high106 Ų10649.5 Ų49.550%0.49528%0.276SS..Hα-helixtrans-55.1-50.2172.8-172.3-169.6169.700111.6L668 W670 Q674 G675 E677L668-E672 PolarHBondContact O-N 2.9Å; W670-E672 VanDerWaalsContact C-N 3.35Å; W670-E672 PolarHBondContact O-N 3.37Å; E672-Q674 PolarHBondContact O-N 2.92Å; E672-Q674 VanDerWaalsContact O-N 3.08Å; E672-G675 PolarHBondContact O-N 3.41Å; E672-E677 HydrophobicContact CB-CB 4.3Å; E672-E677 HydrophobicContact CB-CG 4.42Å; E672-E677 HydrophobicContact CG-CB 4.48Å; E672-E677 HydrophobicContact CG-CG 4.45Å
673Q92.4Very high94.9Very high149 Ų14950.6 Ų50.670%0.69627%0.273SS*.Hα-helixtrans-60.1-23.3176.9-70.9171.87.400113.8N669 W670 A671N669-Q673 VanDerWaalsContact O-CG 3.29Å; N669-Q673 WeakPolarHBondContact O-CG 3.23Å; N669-Q673 PolarHBondContact O-N 3.49Å; N669-Q673 VanDerWaalsContact O-N 3.16Å; W670-Q673 PolarHBondContact O-N 2.96Å; A671-Q673 PolarHBondContact O-N 3.43Å
674Q91.4Very high94.9Very high38 Ų3850.6 Ų50.618%0.17827%0.273CS..THydrogen-bonded Turntrans-95.4-1176.2-56.1-44.3-54.500114.1M611 W670 A671 E672 L676M611-Q674 HydrophobicContact CE-CB 3.7Å; M611-Q674 HydrophobicContact CE-CG 4.1Å; M611-Q674 HydrophobicContact CG-CG 4.32Å; W670-Q674 HydrophobicContact CD2-CG 4.17Å; W670-Q674 HydrophobicContact CH2-CG 3.95Å; W670-Q674 HydrophobicContact CZ2-CG 3.58Å; W670-Q674 HydrophobicContact CZ3-CG 4.42Å; W670-Q674 WeakPolarHBondContact O-CG 3.32Å; W670-Q674 PolarHBondContact O-N 3.03Å; A671-Q674 CarbonylContact O-C 3.57Å; A671-Q674 PolarHBondContact O-N 3.45Å; E672-Q674 PolarHBondContact O-N 2.92Å; E672-Q674 VanDerWaalsContact O-N 3.08Å; Q674-L676 HydrophobicContact CB-CD1 4.36Å; Q674-L676 HydrophobicContact CB-CG 4.41Å
675G90.3Very high94.8Very high66 Ų6653.2 Ų53.268%0.6829%0.285SS*.THydrogen-bonded Turntrans75.626.1-174.100000114A671 E672A671-G675 PolarHBondContact O-N 3.02Å; A671-G675 VanDerWaalsContact O-N 3.15Å; E672-G675 PolarHBondContact O-N 3.41Å
676L91.8Very high94.8Very high8 Ų852.7 Ų52.74%0.04228%0.276CS..  trans-113.812-178.6-67.4176.5000113.5M611 I625 F628 F632 W670 A671 Q674 L678 A679 A680M611-L676 HydrophobicContact CE-CD1 3.36Å; M611-L676 HydrophobicContact CE-CG 4.14Å; I625-L676 HydrophobicContact CG1-CD2 3.91Å; F628-L676 HydrophobicContact CB-CD1 3.93Å; F628-L676 HydrophobicContact CB-CD2 4.35Å; F628-L676 HydrophobicContact CD1-CD1 3.72Å; F628-L676 HydrophobicContact CD2-CD1 3.53Å; F628-L676 HydrophobicContact CE1-CD1 4.09Å; F628-L676 HydrophobicContact CE2-CD1 3.91Å; F628-L676 HydrophobicContact CG-CD1 3.42Å; F628-L676 VanDerWaalsContact CG-CD1 3.42Å; F628-L676 HydrophobicContact CZ-CD1 4.18Å; F632-L676 HydrophobicContact CE2-CB 4.23Å; F632-L676 HydrophobicContact CE2-CD1 4.46Å; F632-L676 HydrophobicContact CZ-CB 4.43Å; F632-L676 HydrophobicContact CZ-CD1 4.45Å; W670-L676 HydrophobicContact CZ3-CD1 4.5Å; A671-L676 HydrophobicContact CB-CB 4.13Å; A671-L676 WeakPolarHBondContact O-CA 3.47Å; A671-L676 PolarHBondContact O-N 3.46Å; Q674-L676 HydrophobicContact CB-CD1 4.36Å; Q674-L676 HydrophobicContact CB-CG 4.41Å; L676-L678 PolarHBondContact O-N 2.94Å; L676-A679 PolarHBondContact O-N 3.11Å; L676-A679 VanDerWaalsContact O-N 3.15Å; L676-A680 PolarHBondContact O-N 3.41Å
677E93.6Very high94.9Very high82 Ų8248.8 Ų48.838%0.38326%0.258SS..Hα-helixtrans-46.8-60.3-177.5-173.1-178.4-175.200112.3E672 A679 A680 E681E672-E677 HydrophobicContact CB-CB 4.3Å; E672-E677 HydrophobicContact CB-CG 4.42Å; E672-E677 HydrophobicContact CG-CB 4.48Å; E672-E677 HydrophobicContact CG-CG 4.45Å; E677-A679 VanDerWaalsContact C-N 3.25Å; E677-A679 PolarHBondContact O-N 2.83Å; E677-A680 PolarHBondContact O-N 3.26Å; E677-E681 HydrophobicContact CG-CG 4.43Å; E677-E681 WeakPolarHBondContact O-CG 3.28Å; E677-E681 PolarHBondContact O-N 2.94Å
678L91.9Very high94.9Very high135 Ų13550.8 Ų50.871%0.70727%0.268SS*.Hα-helixtrans-58.6-36.3-177.2-61.4178000113L676 C682L676-L678 PolarHBondContact O-N 2.94Å; L678-C682 WeakPolarHBondContact O-CB 3.46Å; L678-C682 PolarHBondContact O-N 3.5Å; L678-C682 VanDerWaalsContact O-N 3.09Å
679A92.1Very high94.9Very high13 Ų1349.9 Ų49.911%0.10726%0.263CS..Hα-helixtrans-71.4-39.6178.300000111.3I625 F632 L676 E677 R683I625-A679 HydrophobicContact CG2-CB 4.27Å; F632-A679 HydrophobicContact CD2-CB 4.43Å; F632-A679 HydrophobicContact CE2-CB 4.41Å; L676-A679 PolarHBondContact O-N 3.11Å; L676-A679 VanDerWaalsContact O-N 3.15Å; E677-A679 VanDerWaalsContact C-N 3.25Å; E677-A679 PolarHBondContact O-N 2.83Å; A679-R683 WeakPolarHBondContact O-CB 3.48Å; A679-R683 WeakPolarHBondContact O-CG 3.5Å; A679-R683 PolarHBondContact O-N 3.41Å
680A96.4Very high95Very high0 Ų046.1 Ų46.10%024%0.243CC..Hα-helixtrans-67.8-50.4177.200000111.3F632 L668 A671 L676 E677 C682 R683 L684F632-A680 HydrophobicContact CD1-CB 4.21Å; F632-A680 HydrophobicContact CD2-CB 3.93Å; F632-A680 HydrophobicContact CE1-CB 4Å; F632-A680 HydrophobicContact CE2-CB 3.68Å; F632-A680 HydrophobicContact CG-CB 4.19Å; F632-A680 HydrophobicContact CZ-CB 3.73Å; L668-A680 HydrophobicContact CD2-CB 3.97Å; A671-A680 HydrophobicContact CB-CB 3.56Å; L676-A680 PolarHBondContact O-N 3.41Å; E677-A680 PolarHBondContact O-N 3.26Å; A680-C682 PolarHBondContact O-N 3.06Å; A680-R683 PolarHBondContact O-N 3.37Å; A680-L684 HydrophobicContact CB-CD1 4.38Å; A680-L684 VanDerWaalsContact O-CB 3.25Å; A680-L684 WeakPolarHBondContact O-CB 3.46Å; A680-L684 VanDerWaalsContact O-CG 3.27Å; A680-L684 WeakPolarHBondContact O-CG 3.35Å; A680-L684 PolarHBondContact O-N 2.9Å
681E93.6Very high95.1Very high88 Ų8845.7 Ų45.741%0.41124%0.242SC..Hα-helixtrans-58.5-48.3178.7-69.3-174.4151.700111.7L668 E677 R683 E685L668-E681 HydrophobicContact CD2-CG 4.14Å; E677-E681 HydrophobicContact CG-CG 4.43Å; E677-E681 WeakPolarHBondContact O-CG 3.28Å; E677-E681 PolarHBondContact O-N 2.94Å; E681-R683 VanDerWaalsContact C-N 3.26Å; E681-R683 PolarHBondContact O-N 3.12Å; E681-E685 WeakPolarHBondContact O-CB 3.46Å; E681-E685 PolarHBondContact O-N 2.79Å
682C94.2Very high95.2Very high70 Ų7047.9 Ų47.947%0.47325%0.251SS..Hα-helixtrans-60.9-34-180178.30000112.9L678 A680L678-C682 WeakPolarHBondContact O-CB 3.46Å; L678-C682 PolarHBondContact O-N 3.5Å; L678-C682 VanDerWaalsContact O-N 3.09Å; A680-C682 PolarHBondContact O-N 3.06Å
683R97.2Very high95.4Very high59 Ų5942.9 Ų42.922%0.22323%0.228CC..Hα-helixtrans-92.8-29.2-175.4-64.1-66.5169.6-149.1-12.3113.5F632 N636 A679 A680 E681 L769F632-R683 HydrophobicContact CB-CB 3.56Å; F632-R683 HydrophobicContact CB-CG 4.2Å; N636-R683 WeakPolarHBondContact CB-O 3.25Å; N636-R683 VanDerWaalsContact CG-O 3.22Å; A679-R683 WeakPolarHBondContact O-CB 3.48Å; A679-R683 WeakPolarHBondContact O-CG 3.5Å; A679-R683 PolarHBondContact O-N 3.41Å; A680-R683 PolarHBondContact O-N 3.37Å; E681-R683 VanDerWaalsContact C-N 3.26Å; E681-R683 PolarHBondContact O-N 3.12Å; R683-L769 VanDerWaalsContact NH1-CD1 3.32Å
684L98Very high95.6Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-89-3.6177.3-61.3173.8000112.6F632 I635 N636 L668 A680 R686 V687 L688F632-L684 HydrophobicContact CB-CD2 4.48Å; F632-L684 HydrophobicContact CB-CG 4.38Å; F632-L684 HydrophobicContact CD1-CD1 4.44Å; F632-L684 WeakPolarHBondContact O-CD2 3.43Å; I635-L684 HydrophobicContact CB-CD2 3.91Å; I635-L684 HydrophobicContact CG2-CD2 3.68Å; N636-L684 HydrophobicContact CB-CD2 4.1Å; L668-L684 HydrophobicContact CD2-CD1 3.92Å; L668-L684 HydrophobicContact CG-CD1 4.49Å; A680-L684 HydrophobicContact CB-CD1 4.38Å; A680-L684 VanDerWaalsContact O-CB 3.25Å; A680-L684 WeakPolarHBondContact O-CB 3.46Å; A680-L684 VanDerWaalsContact O-CG 3.27Å; A680-L684 WeakPolarHBondContact O-CG 3.35Å; A680-L684 PolarHBondContact O-N 2.9Å; L684-R686 VanDerWaalsContact C-N 3.26Å; L684-R686 PolarHBondContact O-N 2.84Å; L684-R686 VanDerWaalsContact O-N 3.13Å; L684-V687 HydrophobicContact CB-CG1 4.32Å; L684-V687 HydrophobicContact CD2-CG1 4.4Å; L684-V687 VanDerWaalsContact O-CG1 3.24Å; L684-V687 WeakPolarHBondContact O-CG1 3.39Å; L684-V687 PolarHBondContact O-N 2.75Å; L684-L688 HydrophobicContact CB-CD1 3.84Å; L684-L688 HydrophobicContact CB-CG 4.21Å; L684-L688 WeakPolarHBondContact O-CB 3.35Å; L684-L688 VanDerWaalsContact O-CG 3.27Å; L684-L688 WeakPolarHBondContact O-CG 3.32Å; L684-L688 PolarHBondContact O-N 2.8Å
685E96.4Very high95.9Very high56 Ų5636.4 Ų36.426%0.26220%0.198SC..Hα-helixtrans-50.6-41.4-173.8-161.8-179.5175.200113.3E681 L688 Q689 T711 K712E681-E685 WeakPolarHBondContact O-CB 3.46Å; E681-E685 PolarHBondContact O-N 2.79Å; E685-L688 PolarHBondContact O-N 3Å; E685-Q689 WeakPolarHBondContact O-CG 3.48Å; E685-Q689 PolarHBondContact O-N 3.27Å; E685-Q689 PolarHBondContact OE1-NE2 2.91Å; E685-T711 PolarHBondContact OE1-OG1 2.95Å; E685-K712 HydrophobicContact CB-CG 4.18Å; E685-K712 HydrophobicContact CG-CG 3.77Å; E685-K712 WeakPolarHBondContact OE2-CE 3.43Å; E685-K712 WeakPolarHBondContact OE2-CG 3.39Å
686R97.3Very high96.1Very high33 Ų3333.9 Ų33.913%0.12517%0.171CC..Hα-helixtrans-64.4-53.4-178.8-171.474.760.699.514.1112N636 F640 L684 L688 Q689 A690 K712 L713 Q717 E765N636-R686 WeakPolarHBondContact OD1-CB 2.98Å; F640-R686 HydrophobicContact CD2-CG 3.9Å; F640-R686 HydrophobicContact CE2-CG 3.97Å; F640-R686 HydrophobicContact CG-CG 4.25Å; F640-R686 HydrophobicContact CZ-CG 4.38Å; L684-R686 VanDerWaalsContact C-N 3.26Å; L684-R686 PolarHBondContact O-N 2.84Å; L684-R686 VanDerWaalsContact O-N 3.13Å; R686-L688 VanDerWaalsContact C-N 3.27Å; R686-L688 PolarHBondContact O-N 3.4Å; R686-Q689 PolarHBondContact O-N 3.04Å; R686-A690 PolarHBondContact O-N 2.84Å; R686-K712 WeakPolarHBondContact CD-O 3.41Å; R686-K712 PolarHBondContact NE-O 2.73Å; R686-K712 PolarHBondContact NH1-O 3.45Å; R686-L713 HydrophobicContact CG-CD2 4.05Å; R686-Q717 VanDerWaalsContact NH1-CD 3.33Å; R686-Q717 VanDerWaalsContact NH1-NE2 3.11Å; R686-E765 HydrophobicContact CG-CG 4.23Å; R686-E765 IonicContact CZ-OE1 2.82Å; R686-E765 IonicContact NE-OE1 3.25Å; R686-E765 IonicContact NH1-OE1 2.69Å; R686-E765 PolarHBondContact NH1-OE1 3.38Å; R686-E765 IonicContact NH2-OE1 3.81Å; R686-E765 PolarHBondContact NH2-OE1 2.66Å; R686-E765 IonicContact NH2-OE2 3.98Å
687V98.3Very high96.3Very high0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-64.6-34.7177.669.10000111.2N636 L639 F640 L664 L684 A690 V691N636-V687 HydrophobicContact CB-CG1 4.46Å; N636-V687 WeakPolarHBondContact OD1-CB 3.19Å; N636-V687 WeakPolarHBondContact OD1-CG1 3.3Å; N636-V687 PolarHBondContact OD1-N 2.87Å; L639-V687 HydrophobicContact CB-CG2 3.83Å; F640-V687 HydrophobicContact CB-CB 4.4Å; L664-V687 HydrophobicContact CD1-CG1 3.98Å; L664-V687 HydrophobicContact CD1-CG2 4.12Å; L664-V687 HydrophobicContact CD2-CG1 4.35Å; L684-V687 HydrophobicContact CB-CG1 4.32Å; L684-V687 HydrophobicContact CD2-CG1 4.4Å; L684-V687 VanDerWaalsContact O-CG1 3.24Å; L684-V687 WeakPolarHBondContact O-CG1 3.39Å; L684-V687 PolarHBondContact O-N 2.75Å; V687-A690 WeakPolarHBondContact O-CB 3.24Å; V687-A690 PolarHBondContact O-N 2.88Å; V687-V691 WeakPolarHBondContact O-CG1 3.26Å; V687-V691 WeakPolarHBondContact O-CG2 3.29Å; V687-V691 PolarHBondContact O-N 3.07Å
688L98.3Very high96.4Very high41 Ų4133.2 Ų33.222%0.21517%0.172CC..Hα-helixtrans-63.6-41.6175.2-72.1168.6000112.3L664 L668 L684 E685 R686 V691 H692L664-L688 HydrophobicContact CB-CD2 4.03Å; L664-L688 HydrophobicContact CD1-CD2 3.94Å; L668-L688 HydrophobicContact CD1-CD1 3.98Å; L668-L688 HydrophobicContact CD1-CD2 3.99Å; L668-L688 HydrophobicContact CD2-CD1 4.42Å; L684-L688 HydrophobicContact CB-CD1 3.84Å; L684-L688 HydrophobicContact CB-CG 4.21Å; L684-L688 WeakPolarHBondContact O-CB 3.35Å; L684-L688 VanDerWaalsContact O-CG 3.27Å; L684-L688 WeakPolarHBondContact O-CG 3.32Å; L684-L688 PolarHBondContact O-N 2.8Å; E685-L688 PolarHBondContact O-N 3Å; R686-L688 VanDerWaalsContact C-N 3.27Å; R686-L688 PolarHBondContact O-N 3.4Å; L688-V691 WeakPolarHBondContact O-CG2 3.43Å; L688-H692 VanDerWaalsContact O-CB 3.31Å; L688-H692 WeakPolarHBondContact O-CB 3.46Å; L688-H692 PolarHBondContact O-N 2.9Å
689Q97.9Very high96.5Very high15 Ų1527.8 Ų27.87%0.0714%0.144CC..Hα-helixtrans-66.3-39172.9-74.2178.72800112.1E685 R686 H692 L693 H709 T711 L713E685-Q689 WeakPolarHBondContact O-CG 3.48Å; E685-Q689 PolarHBondContact O-N 3.27Å; E685-Q689 PolarHBondContact OE1-NE2 2.91Å; R686-Q689 PolarHBondContact O-N 3.04Å; Q689-H692 PolarHBondContact O-N 3.09Å; Q689-L693 WeakPolarHBondContact O-CB 3.23Å; Q689-L693 PolarHBondContact O-N 3Å; Q689-H709 WeakPolarHBondContact CG-O 3.37Å; Q689-H709 PolarHBondContact NE2-O 3.04Å; Q689-H709 PolarHBondContact OE1-O 2.9Å; Q689-T711 PolarHBondContact NE2-OG1 2.9Å; Q689-T711 VanDerWaalsContact OE1-N 3.16Å; Q689-L713 HydrophobicContact CB-CD1 3.74Å; Q689-L713 HydrophobicContact CB-CG 3.89Å
690A98.4Very high96.6Very high0 Ų030.2 Ų30.20%016%0.155CC..Hα-helixtrans-62.2-47.5177.800000111.5F640 L643 R686 V687 H692 L693 L694 L713 L721F640-A690 HydrophobicContact CD2-CB 3.94Å; F640-A690 HydrophobicContact CE2-CB 3.84Å; L643-A690 HydrophobicContact CD2-CB 3.91Å; R686-A690 PolarHBondContact O-N 2.84Å; V687-A690 WeakPolarHBondContact O-CB 3.24Å; V687-A690 PolarHBondContact O-N 2.88Å; A690-H692 VanDerWaalsContact C-N 3.32Å; A690-H692 PolarHBondContact O-N 3.4Å; A690-L693 WeakPolarHBondContact O-CB 3.42Å; A690-L693 PolarHBondContact O-N 2.93Å; A690-L694 WeakPolarHBondContact O-CG 3.48Å; A690-L694 PolarHBondContact O-N 3.43Å; A690-L713 HydrophobicContact CB-CD1 4.49Å; A690-L713 HydrophobicContact CB-CD2 4.25Å; A690-L721 HydrophobicContact CB-CD1 3.9Å
691V98.1Very high96.5Very high1 Ų137.5 Ų37.51%0.00619%0.194CC..Hα-helixtrans-69-31.8177.7-59.50000112.4L660 K661 L664 V687 L688 L694 E695L660-V691 HydrophobicContact CB-CG1 3.87Å; L660-V691 HydrophobicContact CD2-CG1 3.61Å; L660-V691 HydrophobicContact CG-CG1 3.72Å; K661-V691 HydrophobicContact CB-CB 4.3Å; K661-V691 HydrophobicContact CB-CG2 3.82Å; K661-V691 HydrophobicContact CG-CG2 4.21Å; L664-V691 HydrophobicContact CD1-CG1 4.37Å; L664-V691 HydrophobicContact CD1-CG2 4.29Å; V687-V691 WeakPolarHBondContact O-CG1 3.26Å; V687-V691 WeakPolarHBondContact O-CG2 3.29Å; V687-V691 PolarHBondContact O-N 3.07Å; L688-V691 WeakPolarHBondContact O-CG2 3.43Å; V691-L694 PolarHBondContact O-N 3.39Å; V691-E695 WeakPolarHBondContact O-CB 3.32Å; V691-E695 PolarHBondContact O-N 3.07Å
692H97.6Very high96.6Very high45 Ų4537.1 Ų37.121%0.20819%0.192CC..Hα-helixtrans-63.7-44.2172.4-178.859.5000111.5L688 Q689 A690 L694 E695 A696 H709L688-H692 VanDerWaalsContact O-CB 3.31Å; L688-H692 WeakPolarHBondContact O-CB 3.46Å; L688-H692 PolarHBondContact O-N 2.9Å; Q689-H692 PolarHBondContact O-N 3.09Å; A690-H692 VanDerWaalsContact C-N 3.32Å; A690-H692 PolarHBondContact O-N 3.4Å; H692-L694 VanDerWaalsContact C-N 3.33Å; H692-L694 PolarHBondContact O-N 3.05Å; H692-E695 PolarHBondContact O-N 2.86Å; H692-A696 VanDerWaalsContact O-CB 3.28Å; H692-A696 WeakPolarHBondContact O-CB 3.19Å; H692-A696 PolarHBondContact O-N 3.05Å; H692-H709 AromaticContact CD2-CG 3.87Å; H692-H709 AromaticContact NE2-CD2 3.96Å; H692-H709 AromaticContact NE2-CG 3.66Å; H692-H709 AromaticContact NE2-ND1 3.71Å
693L98Very high96.6Very high1 Ų134.6 Ų34.61%0.00517%0.174CC..Hα-helixtrans-60.5-42.1174.7177.761000111.8Q689 A690 K698 I706 L713 V718 L721 L722 L742Q689-L693 WeakPolarHBondContact O-CB 3.23Å; Q689-L693 PolarHBondContact O-N 3Å; A690-L693 WeakPolarHBondContact O-CB 3.42Å; A690-L693 PolarHBondContact O-N 2.93Å; L693-K698 WeakPolarHBondContact O-CE 3.3Å; L693-K698 PolarHBondContact O-NZ 3.45Å; L693-I706 HydrophobicContact CD1-CG2 3.69Å; L693-L713 HydrophobicContact CD2-CD1 4.44Å; L693-V718 HydrophobicContact CD2-CG1 4.48Å; L693-L721 HydrophobicContact CD2-CB 4.32Å; L693-L721 HydrophobicContact CD2-CD1 4.22Å; L693-L722 HydrophobicContact CD1-CD2 4.28Å; L693-L722 HydrophobicContact CD2-CG 4.46Å; L693-L722 HydrophobicContact CG-CD2 4.46Å; L693-L742 HydrophobicContact CD1-CD2 3.71Å
694L97.7Very high96.4Very high1 Ų138 Ų381%0.00520%0.196CC..Hα-helixtrans-64.8-43.3176-66.8-177.9000112L643 C652 Q654 A690 V691 H692 K698 Y725L643-L694 HydrophobicContact CD1-CD1 3.95Å; L643-L694 HydrophobicContact CD2-CD1 3.98Å; L643-L694 HydrophobicContact CG-CD1 4.5Å; C652-L694 HydrophobicContact CB-CD2 4.05Å; Q654-L694 WeakPolarHBondContact CA-O 3.45Å; A690-L694 WeakPolarHBondContact O-CG 3.48Å; A690-L694 PolarHBondContact O-N 3.43Å; V691-L694 PolarHBondContact O-N 3.39Å; H692-L694 VanDerWaalsContact C-N 3.33Å; H692-L694 PolarHBondContact O-N 3.05Å; L694-K698 PolarHBondContact O-NZ 3.4Å; L694-Y725 HydrophobicContact CB-CE2 4.48Å; L694-Y725 HydrophobicContact CD2-CD2 3.57Å; L694-Y725 HydrophobicContact CD2-CE2 3.81Å; L694-Y725 PolarHBondContact O-OH 2.72Å
695E96.5Very high96.2Very high50 Ų5040.7 Ų40.723%0.23422%0.219CC..Hα-helixtrans-67.6-36.2178.7172.4-178.8-144.800113.2Q654 K658 K661 V691 H692Q654-E695 VanDerWaalsContact CG-O 3.27Å; Q654-E695 WeakPolarHBondContact CG-O 3.35Å; Q654-E695 PolarHBondContact NE2-O 3.15Å; K658-E695 HydrophobicContact CG-CB 4.22Å; K658-E695 HydrophobicContact CG-CG 3.68Å; K661-E695 WeakPolarHBondContact CD-OE2 3.35Å; K661-E695 WeakPolarHBondContact CE-OE2 3.46Å; K661-E695 IonicContact NZ-OE1 2.66Å; K661-E695 IonicContact NZ-OE2 2.66Å; K661-E695 PolarHBondContact NZ-OE2 3.4Å; V691-E695 WeakPolarHBondContact O-CB 3.32Å; V691-E695 PolarHBondContact O-N 3.07Å; H692-E695 PolarHBondContact O-N 2.86Å
696A95.7Very high96.1Very high14 Ų1438.2 Ų38.212%0.11621%0.208CC..SBendtrans-65.9151.4-171.700000113.2H692 K698 I706H692-A696 VanDerWaalsContact O-CB 3.28Å; H692-A696 WeakPolarHBondContact O-CB 3.19Å; H692-A696 PolarHBondContact O-N 3.05Å; A696-K698 PolarHBondContact O-N 3.28Å; A696-K698 PolarHBondContact O-NZ 3.42Å; A696-I706 HydrophobicContact CB-CD1 3.64Å; A696-I706 HydrophobicContact CB-CG1 3.77Å
697T95.3Very high96Very high65 Ų6536.8 Ų36.840%0.39920%0.203SC..  trans-73.7118172-57.10000109.7T699 H702 I706T697-T699 HydrophobicContact CG2-CG2 4.02Å; T697-T699 PolarHBondContact O-N 3.35Å; T697-T699 VanDerWaalsContact O-N 3.15Å; T697-H702 VanDerWaalsContact O-CB 3.29Å; T697-H702 WeakPolarHBondContact O-CB 3.43Å; T697-I706 WeakPolarHBondContact O-CD1 3.24Å
698K95.5Very high95.7Very high10 Ų1040.1 Ų40.14%0.04323%0.23CC..  trans-9358.9-169-64.5162.5-162.167.30112.4L693 L694 A696 L722 Y725 I734 F738L693-K698 WeakPolarHBondContact O-CE 3.3Å; L693-K698 PolarHBondContact O-NZ 3.45Å; L694-K698 PolarHBondContact O-NZ 3.4Å; A696-K698 PolarHBondContact O-N 3.28Å; A696-K698 PolarHBondContact O-NZ 3.42Å; K698-L722 HydrophobicContact CD-CD2 3.98Å; K698-Y725 HydrophobicContact CD-CD1 4.4Å; K698-Y725 HydrophobicContact CD-CD2 4.45Å; K698-Y725 HydrophobicContact CD-CE1 4.22Å; K698-Y725 HydrophobicContact CD-CE2 4.32Å; K698-Y725 HydrophobicContact CD-CG 4.48Å; K698-Y725 VanDerWaalsContact CE-CZ 3.44Å; K698-Y725 VanDerWaalsContact NZ-CE2 3.27Å; K698-Y725 PolarHBondContact NZ-OH 3.42Å; K698-I734 HydrophobicContact CB-CD1 4.46Å; K698-I734 HydrophobicContact CB-CG1 4.05Å; K698-I734 HydrophobicContact CB-CG2 4.34Å; K698-I734 HydrophobicContact CD-CD1 3.51Å; K698-I734 HydrophobicContact CD-CG1 3.98Å; K698-F738 HydrophobicContact CB-CD1 4.13Å; K698-F738 HydrophobicContact CB-CE1 3.63Å; K698-F738 HydrophobicContact CB-CZ 3.88Å; K698-F738 HydrophobicContact CG-CE1 3.96Å; K698-F738 HydrophobicContact CG-CZ 4.14Å
699T94.3Very high95.3Very high21 Ų2143 Ų4313%0.12924%0.243CC..SBendtrans-117.9158.5176.667.90000110.9T697 N701 H702 L703 E732 F738T697-T699 HydrophobicContact CG2-CG2 4.02Å; T697-T699 PolarHBondContact O-N 3.35Å; T697-T699 VanDerWaalsContact O-N 3.15Å; T699-N701 PolarHBondContact O-N 3.17Å; T699-N701 VanDerWaalsContact O-N 3.11Å; T699-H702 PolarHBondContact O-N 3.03Å; T699-H702 PolarHBondContact OG1-ND1 3.34Å; T699-L703 PolarHBondContact O-N 3.11Å; T699-E732 HydrophobicContact CG2-CB 4.49Å; T699-E732 WeakPolarHBondContact CG2-OE2 3.38Å; T699-F738 WeakPolarHBondContact O-CD2 3.37Å; T699-F738 WeakPolarHBondContact O-CE2 3.32Å
700L94.4Very high95.1Very high65 Ų6542.5 Ų42.534%0.3424%0.24SC..G310 helixtrans-55.6-31.1-178.7-69.7171.9000113.2H702 L703 Q737 F738 L741L700-H702 PolarHBondContact O-N 3.02Å; L700-L703 VanDerWaalsContact O-CB 3.26Å; L700-L703 WeakPolarHBondContact O-CB 3.46Å; L700-L703 PolarHBondContact O-N 3.36Å; L700-Q737 HydrophobicContact CD2-CG 4.3Å; L700-F738 HydrophobicContact CD2-CB 4.08Å; L700-L741 HydrophobicContact CD2-CD1 3.99Å
701N94.1Very high94.8Very high153 Ų15346 Ų4682%0.81826%0.261SS*.G310 helixtrans-66.5-20.7176.9-65.2-19.9000113.7T699T699-N701 PolarHBondContact O-N 3.17Å; T699-N701 VanDerWaalsContact O-N 3.11Å
702H94.5Very high94.6Very high79 Ų7950.1 Ų50.137%0.36628%0.28SS..G310 helixtrans-105.31.2179.3-57.691.5000112.3T697 T699 L700 D704 A705 I706T697-H702 VanDerWaalsContact O-CB 3.29Å; T697-H702 WeakPolarHBondContact O-CB 3.43Å; T699-H702 PolarHBondContact O-N 3.03Å; T699-H702 PolarHBondContact OG1-ND1 3.34Å; L700-H702 PolarHBondContact O-N 3.02Å; H702-D704 PolarHBondContact O-N 2.77Å; H702-A705 PolarHBondContact O-N 2.94Å; H702-I706 HydrophobicContact CB-CD1 4.17Å; H702-I706 WeakPolarHBondContact O-CG1 3.49Å; H702-I706 PolarHBondContact O-N 3.25Å
703L95.4Very high94.6Very high17 Ų1748 Ų489%0.08927%0.27CS..Hα-helixtrans-56.7-48.7-175.8-179.971.4000111.9T699 L700 A705 I706 G707 F738 L741 L742 I745T699-L703 PolarHBondContact O-N 3.11Å; L700-L703 VanDerWaalsContact O-CB 3.26Å; L700-L703 WeakPolarHBondContact O-CB 3.46Å; L700-L703 PolarHBondContact O-N 3.36Å; L703-A705 VanDerWaalsContact C-N 3.35Å; L703-A705 PolarHBondContact O-N 3.06Å; L703-I706 PolarHBondContact O-N 2.94Å; L703-G707 PolarHBondContact O-N 3.16Å; L703-F738 HydrophobicContact CB-CD2 4.3Å; L703-F738 HydrophobicContact CB-CE2 4.33Å; L703-F738 HydrophobicContact CD1-CD2 3.89Å; L703-F738 HydrophobicContact CD1-CE2 3.98Å; L703-L741 HydrophobicContact CD1-CB 4.11Å; L703-L741 HydrophobicContact CD2-CB 3.7Å; L703-L741 HydrophobicContact CD2-CD1 3.72Å; L703-L741 HydrophobicContact CD2-CG 4.34Å; L703-L742 HydrophobicContact CD1-CB 3.88Å; L703-L742 HydrophobicContact CD1-CD1 4.06Å; L703-I745 HydrophobicContact CD1-CD1 4.13Å; L703-I745 HydrophobicContact CG-CD1 4.04Å
704D93.2Very high94.6Very high130 Ų13048.1 Ų48.170%0.69527%0.27SS*.Hα-helixtrans-64.9-40.3-178.3-63.9-34.8000111.9H702 A708H702-D704 PolarHBondContact O-N 2.77Å; D704-A708 VanDerWaalsContact O-CB 3.3Å; D704-A708 WeakPolarHBondContact O-CB 3.44Å; D704-A708 PolarHBondContact O-N 3.31Å
705A93Very high94.6Very high57 Ų5748.6 Ų48.647%0.47127%0.274SS..Hα-helixtrans-65.1-46.4178.200000111.2H702 L703 H709H702-A705 PolarHBondContact O-N 2.94Å; L703-A705 VanDerWaalsContact C-N 3.35Å; L703-A705 PolarHBondContact O-N 3.06Å; A705-H709 PolarHBondContact O-ND1 2.98Å
706I95.1Very high94.7Very high5 Ų549.6 Ų49.63%0.02628%0.28CS..Hα-helixtrans-66.6-46.2177.7-63.8169000109.9L693 A696 T697 H702 L703 A708 H709 L710 F738 L742L693-I706 HydrophobicContact CD1-CG2 3.69Å; A696-I706 HydrophobicContact CB-CD1 3.64Å; A696-I706 HydrophobicContact CB-CG1 3.77Å; T697-I706 WeakPolarHBondContact O-CD1 3.24Å; H702-I706 HydrophobicContact CB-CD1 4.17Å; H702-I706 WeakPolarHBondContact O-CG1 3.49Å; H702-I706 PolarHBondContact O-N 3.25Å; L703-I706 PolarHBondContact O-N 2.94Å; I706-A708 VanDerWaalsContact C-N 3.3Å; I706-A708 PolarHBondContact O-N 3.28Å; I706-H709 PolarHBondContact O-N 3.04Å; I706-L710 PolarHBondContact O-N 3.18Å; I706-F738 HydrophobicContact CD1-CE2 3.98Å; I706-F738 HydrophobicContact CD1-CZ 3.69Å; I706-L742 HydrophobicContact CB-CD1 4.5Å; I706-L742 HydrophobicContact CG2-CD1 4.03Å; I706-L742 HydrophobicContact CG2-CD2 3.8Å
707G94.1Very high94.8Very high2 Ų249 Ų492%0.02128%0.275CS..Hα-helixtrans-58-39.117900000113.1L703 H709 L710 Q749L703-G707 PolarHBondContact O-N 3.16Å; G707-H709 PolarHBondContact O-N 3.19Å; G707-L710 PolarHBondContact O-N 2.69Å; G707-L710 VanDerWaalsContact O-N 3.13Å; G707-Q749 PolarHBondContact O-OE1 3.37Å
708A91.8Very high95Very high70 Ų7045.9 Ų45.958%0.57926%0.256SS*.Hα-helixtrans-64-24.2176.200000113.8D704 I706D704-A708 VanDerWaalsContact O-CB 3.3Å; D704-A708 WeakPolarHBondContact O-CB 3.44Å; D704-A708 PolarHBondContact O-N 3.31Å; I706-A708 VanDerWaalsContact C-N 3.3Å; I706-A708 PolarHBondContact O-N 3.28Å
709H91.7Very high95.1Very high103 Ų10346.8 Ų46.848%0.47727%0.265SS..Hα-helixtrans-87.1-10.4176.7-68.983.7000113.2Q689 H692 A705 I706 G707 T711Q689-H709 WeakPolarHBondContact CG-O 3.37Å; Q689-H709 PolarHBondContact NE2-O 3.04Å; Q689-H709 PolarHBondContact OE1-O 2.9Å; H692-H709 AromaticContact CD2-CG 3.87Å; H692-H709 AromaticContact NE2-CD2 3.96Å; H692-H709 AromaticContact NE2-CG 3.66Å; H692-H709 AromaticContact NE2-ND1 3.71Å; A705-H709 PolarHBondContact O-ND1 2.98Å; I706-H709 PolarHBondContact O-N 3.04Å; G707-H709 PolarHBondContact O-N 3.19Å; H709-T711 VanDerWaalsContact C-N 3.33Å; H709-T711 PolarHBondContact O-N 3.41Å
710L92.2Very high95.3Very high3 Ų347.7 Ų47.72%0.01627%0.268CS..  trans-81.872.8-179.4-63.7-174.2000111.9I706 G707 L713 V718 L742 A746 Q749 V750I706-L710 PolarHBondContact O-N 3.18Å; G707-L710 PolarHBondContact O-N 2.69Å; G707-L710 VanDerWaalsContact O-N 3.13Å; L710-L713 HydrophobicContact CD2-CB 4.22Å; L710-L713 HydrophobicContact CD2-CD1 3.74Å; L710-L713 HydrophobicContact CD2-CG 4.47Å; L710-V718 HydrophobicContact CD1-CG2 4.01Å; L710-V718 HydrophobicContact CD2-CG2 4.41Å; L710-L742 HydrophobicContact CD1-CD1 3.48Å; L710-L742 VanDerWaalsContact CD1-CD1 3.48Å; L710-L742 HydrophobicContact CD1-CD2 4.32Å; L710-L742 HydrophobicContact CD1-CG 3.75Å; L710-L742 HydrophobicContact CG-CD1 4.46Å; L710-A746 HydrophobicContact CD1-CB 4.43Å; L710-Q749 PolarHBondContact O-OE1 2.92Å; L710-V750 VanDerWaalsContact O-CG2 3.25Å; L710-V750 WeakPolarHBondContact O-CG2 3.41Å
711T93.2Very high95.5Very high73 Ų7344.6 Ų44.645%0.44825%0.252SS..SBendtrans-96.1-9.7177.1600000113.5E685 Q689 H709E685-T711 PolarHBondContact OE1-OG1 2.95Å; Q689-T711 PolarHBondContact NE2-OG1 2.9Å; Q689-T711 VanDerWaalsContact OE1-N 3.16Å; H709-T711 VanDerWaalsContact C-N 3.33Å; H709-T711 PolarHBondContact O-N 3.41Å
712K94.1Very high95.6Very high89 Ų8937.8 Ų37.839%0.38722%0.215SC..SBendtrans-134.6-30.7-175-66.3-63.1-179.1-167.70115.2E685 R686 N714 V750E685-K712 HydrophobicContact CB-CG 4.18Å; E685-K712 HydrophobicContact CG-CG 3.77Å; E685-K712 WeakPolarHBondContact OE2-CE 3.43Å; E685-K712 WeakPolarHBondContact OE2-CG 3.39Å; R686-K712 WeakPolarHBondContact CD-O 3.41Å; R686-K712 PolarHBondContact NE-O 2.73Å; R686-K712 PolarHBondContact NH1-O 3.45Å; K712-N714 PolarHBondContact O-N 3.23Å; K712-V750 WeakPolarHBondContact O-CG1 3.37Å
713L97.6Very high95.7Very high0 Ų041.7 Ų41.70%023%0.234CC..  trans-71.2120177.4-67.6171000110.7F640 R686 Q689 A690 L693 L710 Q717 V718 L721 V750F640-L713 HydrophobicContact CE2-CD2 3.5Å; F640-L713 VanDerWaalsContact CE2-CD2 3.5Å; F640-L713 HydrophobicContact CZ-CD2 3.97Å; R686-L713 HydrophobicContact CG-CD2 4.05Å; Q689-L713 HydrophobicContact CB-CD1 3.74Å; Q689-L713 HydrophobicContact CB-CG 3.89Å; A690-L713 HydrophobicContact CB-CD1 4.49Å; A690-L713 HydrophobicContact CB-CD2 4.25Å; L693-L713 HydrophobicContact CD2-CD1 4.44Å; L710-L713 HydrophobicContact CD2-CB 4.22Å; L710-L713 HydrophobicContact CD2-CD1 3.74Å; L710-L713 HydrophobicContact CD2-CG 4.47Å; L713-Q717 HydrophobicContact CD2-CB 4.29Å; L713-V718 HydrophobicContact CB-CG2 3.81Å; L713-L721 HydrophobicContact CD1-CD1 4.44Å; L713-L721 HydrophobicContact CD2-CD1 4.4Å; L713-V750 WeakPolarHBondContact O-CG2 3.44Å
714N97.1Very high95.8Very high3 Ų342.6 Ų42.62%0.01624%0.241CC..  trans-75.4166.9175.469.546.3000111.5K712 I716 Q717 V718 V750 D751 L754 L761 Q762K712-N714 PolarHBondContact O-N 3.23Å; N714-I716 VanDerWaalsContact C-N 3.3Å; N714-I716 PolarHBondContact O-N 3.14Å; N714-I716 WeakPolarHBondContact OD1-CB 3.36Å; N714-I716 PolarHBondContact OD1-N 2.84Å; N714-I716 VanDerWaalsContact OD1-N 3.16Å; N714-Q717 PolarHBondContact ND2-OE1 3.29Å; N714-Q717 WeakPolarHBondContact O-CB 3.09Å; N714-Q717 PolarHBondContact O-N 3.43Å; N714-Q717 VanDerWaalsContact O-N 3.17Å; N714-Q717 WeakPolarHBondContact OD1-CB 3.41Å; N714-Q717 VanDerWaalsContact OD1-CG 3.26Å; N714-Q717 WeakPolarHBondContact OD1-CG 3.42Å; N714-Q717 PolarHBondContact OD1-N 3.37Å; N714-V718 WeakPolarHBondContact O-CG2 3.34Å; N714-V718 PolarHBondContact O-N 2.93Å; N714-V750 HydrophobicContact CB-CG1 4.22Å; N714-D751 WeakPolarHBondContact CA-OD1 3.43Å; N714-D751 VanDerWaalsContact CB-OD1 3.26Å; N714-D751 WeakPolarHBondContact CB-OD1 3.28Å; N714-L754 HydrophobicContact CB-CD1 4.03Å; N714-L761 HydrophobicContact CB-CD2 4.22Å; N714-Q762 PolarHBondContact ND2-O 2.69Å
715S98.2Very high96Very high11 Ų1137.2 Ų37.28%0.07721%0.211CC..Hα-helixtrans-57.2-39.3-176.364.70000113.8V718 A719 E747 D751S715-V718 PolarHBondContact O-N 2.9Å; S715-A719 VanDerWaalsContact O-CB 3.3Å; S715-A719 WeakPolarHBondContact O-CB 3.3Å; S715-A719 PolarHBondContact O-N 3.23Å; S715-E747 VanDerWaalsContact CB-CG 3.48Å; S715-D751 WeakPolarHBondContact CB-OD2 3.26Å; S715-D751 PolarHBondContact N-OD1 3.1Å; S715-D751 PolarHBondContact OG-OD2 3.2Å
716I98.2Very high96.1Very high72 Ų7236.7 Ų36.737%0.36920%0.204SC..Hα-helixtrans-64.9-42.9179.9-56.7175.8000110.2N714 H720 L761 L763N714-I716 VanDerWaalsContact C-N 3.3Å; N714-I716 PolarHBondContact O-N 3.14Å; N714-I716 WeakPolarHBondContact OD1-CB 3.36Å; N714-I716 PolarHBondContact OD1-N 2.84Å; N714-I716 VanDerWaalsContact OD1-N 3.16Å; I716-H720 VanDerWaalsContact O-CB 3.3Å; I716-H720 WeakPolarHBondContact O-CB 3.35Å; I716-H720 PolarHBondContact O-N 3.34Å; I716-L761 HydrophobicContact CD1-CB 3.79Å; I716-L763 HydrophobicContact CG2-CB 4.25Å; I716-L763 HydrophobicContact CG2-CD1 4.33Å
717Q98.2Very high96.1Very high0 Ų039 Ų390%022%0.218CC..Hα-helixtrans-66.6-44.8178.3-71.7173.2-20.100111.8F640 R686 L713 N714 H720 L721 L763F640-Q717 HydrophobicContact CE1-CG 4.03Å; F640-Q717 VanDerWaalsContact CE1-NE2 3.25Å; F640-Q717 HydrophobicContact CZ-CB 3.98Å; F640-Q717 VanDerWaalsContact CZ-CD 3.45Å; F640-Q717 HydrophobicContact CZ-CG 3.66Å; R686-Q717 VanDerWaalsContact NH1-CD 3.33Å; R686-Q717 VanDerWaalsContact NH1-NE2 3.11Å; L713-Q717 HydrophobicContact CD2-CB 4.29Å; N714-Q717 PolarHBondContact ND2-OE1 3.29Å; N714-Q717 WeakPolarHBondContact O-CB 3.09Å; N714-Q717 PolarHBondContact O-N 3.43Å; N714-Q717 VanDerWaalsContact O-N 3.17Å; N714-Q717 WeakPolarHBondContact OD1-CB 3.41Å; N714-Q717 VanDerWaalsContact OD1-CG 3.26Å; N714-Q717 WeakPolarHBondContact OD1-CG 3.42Å; N714-Q717 PolarHBondContact OD1-N 3.37Å; Q717-H720 PolarHBondContact O-N 2.93Å; Q717-L721 WeakPolarHBondContact O-CB 3.44Å; Q717-L721 VanDerWaalsContact O-CG 3.28Å; Q717-L721 WeakPolarHBondContact O-CG 3.29Å; Q717-L721 PolarHBondContact O-N 2.85Å; Q717-L763 HydrophobicContact CG-CD1 4.37Å; Q717-L763 WeakPolarHBondContact CG-O 3.11Å; Q717-L763 PolarHBondContact NE2-O 3.22Å
718V98.3Very high96.1Very high0 Ų041 Ų410%023%0.227CC..Hα-helixtrans-60.9-47.9175.7173.90000110.6L693 L710 L713 N714 S715 H720 L721 L722 L742 I743 A746L693-V718 HydrophobicContact CD2-CG1 4.48Å; L710-V718 HydrophobicContact CD1-CG2 4.01Å; L710-V718 HydrophobicContact CD2-CG2 4.41Å; L713-V718 HydrophobicContact CB-CG2 3.81Å; N714-V718 WeakPolarHBondContact O-CG2 3.34Å; N714-V718 PolarHBondContact O-N 2.93Å; S715-V718 PolarHBondContact O-N 2.9Å; V718-H720 PolarHBondContact O-N 3.04Å; V718-L721 PolarHBondContact O-N 2.81Å; V718-L722 HydrophobicContact CG1-CD1 3.86Å; V718-L722 WeakPolarHBondContact O-CG 3.29Å; V718-L722 PolarHBondContact O-N 3.36Å; V718-L722 VanDerWaalsContact O-N 3.12Å; V718-L742 HydrophobicContact CG1-CD2 4.21Å; V718-L742 HydrophobicContact CG1-CG 4.11Å; V718-I743 HydrophobicContact CG1-CG1 4.28Å; V718-A746 HydrophobicContact CG2-CB 3.98Å
719A98.2Very high96.1Very high30 Ų3044 Ų4425%0.24824%0.244CC..Hα-helixtrans-57.9-48.7178.200000111.5S715 L722 E723 I743S715-A719 VanDerWaalsContact O-CB 3.3Å; S715-A719 WeakPolarHBondContact O-CB 3.3Å; S715-A719 PolarHBondContact O-N 3.23Å; A719-L722 PolarHBondContact O-N 3.06Å; A719-E723 VanDerWaalsContact O-CB 3.31Å; A719-E723 WeakPolarHBondContact O-CB 3.22Å; A719-E723 PolarHBondContact O-N 3.01Å; A719-I743 HydrophobicContact CB-CD1 3.66Å; A719-I743 HydrophobicContact CB-CG1 4.11Å
720H98.4Very high96.1Very high39 Ų3944.3 Ų44.318%0.18125%0.249CC..Hα-helixtrans-63.7-45.5-178.7-174.376.8000112.9V644 I716 Q717 V718 L722 E723 C724 L763V644-H720 PolarHBondContact O-NE2 2.83Å; V644-H720 VanDerWaalsContact O-NE2 3.1Å; I716-H720 VanDerWaalsContact O-CB 3.3Å; I716-H720 WeakPolarHBondContact O-CB 3.35Å; I716-H720 PolarHBondContact O-N 3.34Å; Q717-H720 PolarHBondContact O-N 2.93Å; V718-H720 PolarHBondContact O-N 3.04Å; H720-L722 VanDerWaalsContact C-N 3.29Å; H720-L722 PolarHBondContact O-N 3.28Å; H720-E723 PolarHBondContact O-N 3.44Å; H720-C724 WeakPolarHBondContact O-CB 3.5Å; H720-C724 PolarHBondContact O-N 3.15Å; H720-L763 HydrophobicContact CB-CD1 3.61Å
721L98.3Very high96.2Very high0 Ų045.9 Ų45.90%026%0.256CS..Hα-helixtrans-61.3-37.7178.5-73.1171.2000112.1F640 L643 V644 A690 L693 L713 Q717 V718 Y725F640-L721 HydrophobicContact CE2-CD1 4.45Å; L643-L721 HydrophobicContact CD2-CD2 3.69Å; L643-L721 HydrophobicContact CG-CD2 3.82Å; V644-L721 HydrophobicContact CG1-CD2 4.24Å; A690-L721 HydrophobicContact CB-CD1 3.9Å; L693-L721 HydrophobicContact CD2-CB 4.32Å; L693-L721 HydrophobicContact CD2-CD1 4.22Å; L713-L721 HydrophobicContact CD1-CD1 4.44Å; L713-L721 HydrophobicContact CD2-CD1 4.4Å; Q717-L721 WeakPolarHBondContact O-CB 3.44Å; Q717-L721 VanDerWaalsContact O-CG 3.28Å; Q717-L721 WeakPolarHBondContact O-CG 3.29Å; Q717-L721 PolarHBondContact O-N 2.85Å; V718-L721 PolarHBondContact O-N 2.81Å; L721-Y725 PolarHBondContact O-N 3.04Å
722L97.6Very high96.1Very high11 Ų1149.5 Ų49.56%0.05827%0.268CS..Hα-helixtrans-78.4-34.6178.5-67.1173.1000112.8L693 K698 V718 A719 H720 Y725 F738 V739 L742L693-L722 HydrophobicContact CD1-CD2 4.28Å; L693-L722 HydrophobicContact CD2-CG 4.46Å; L693-L722 HydrophobicContact CG-CD2 4.46Å; K698-L722 HydrophobicContact CD-CD2 3.98Å; V718-L722 HydrophobicContact CG1-CD1 3.86Å; V718-L722 WeakPolarHBondContact O-CG 3.29Å; V718-L722 PolarHBondContact O-N 3.36Å; V718-L722 VanDerWaalsContact O-N 3.12Å; A719-L722 PolarHBondContact O-N 3.06Å; H720-L722 VanDerWaalsContact C-N 3.29Å; H720-L722 PolarHBondContact O-N 3.28Å; L722-Y725 WeakPolarHBondContact O-CB 3.45Å; L722-Y725 PolarHBondContact O-N 3.05Å; L722-F738 HydrophobicContact CD2-CE1 4.46Å; L722-V739 HydrophobicContact CB-CG1 4.28Å; L722-V739 HydrophobicContact CB-CG2 4.38Å; L722-V739 HydrophobicContact CD1-CB 4.38Å; L722-V739 HydrophobicContact CD1-CG1 4Å; L722-V739 HydrophobicContact CD1-CG2 4.21Å; L722-L742 HydrophobicContact CD1-CD2 4.18Å
723E96.2Very high96Very high161 Ų16152.3 Ų52.375%0.75229%0.286SS*.Hα-helixtrans-64.9-40.1175.3-177178.2-164.900111.6A719 H720 Y725A719-E723 VanDerWaalsContact O-CB 3.31Å; A719-E723 WeakPolarHBondContact O-CB 3.22Å; A719-E723 PolarHBondContact O-N 3.01Å; H720-E723 PolarHBondContact O-N 3.44Å; E723-Y725 VanDerWaalsContact C-N 3.28Å; E723-Y725 PolarHBondContact O-N 3Å
724C96.1Very high95.8Very high35 Ų3554 Ų5424%0.23630%0.295CS..THydrogen-bonded Turntrans-81.8-4.2177-71.40000113.7A649 C652 H720 S726A649-C724 HydrophobicContact CB-CB 3.93Å; C652-C724 HydrophobicContact CB-CB 4.4Å; H720-C724 WeakPolarHBondContact O-CB 3.5Å; H720-C724 PolarHBondContact O-N 3.15Å; C724-S726 PolarHBondContact O-N 2.97Å
725Y97.5Very high95.6Very high18 Ų1857.4 Ų57.47%0.07131%0.313CS..  trans-68125.2-175.2-166.6-89.6000112.1C652 Q654 L694 K698 L721 L722 E723 V727 E731 I734C652-Y725 CarbonylContact O-C 3.6Å; C652-Y725 WeakPolarHBondContact O-CA 3.4Å; C652-Y725 WeakPolarHBondContact O-CD2 3.43Å; Q654-Y725 WeakPolarHBondContact CA-OH 3.46Å; Q654-Y725 VanDerWaalsContact CB-OH 3.28Å; Q654-Y725 WeakPolarHBondContact CB-OH 3.43Å; Q654-Y725 PolarHBondContact N-OH 2.87Å; L694-Y725 HydrophobicContact CB-CE2 4.48Å; L694-Y725 HydrophobicContact CD2-CD2 3.57Å; L694-Y725 HydrophobicContact CD2-CE2 3.81Å; L694-Y725 PolarHBondContact O-OH 2.72Å; K698-Y725 HydrophobicContact CD-CD1 4.4Å; K698-Y725 HydrophobicContact CD-CD2 4.45Å; K698-Y725 HydrophobicContact CD-CE1 4.22Å; K698-Y725 HydrophobicContact CD-CE2 4.32Å; K698-Y725 HydrophobicContact CD-CG 4.48Å; K698-Y725 VanDerWaalsContact CE-CZ 3.44Å; K698-Y725 VanDerWaalsContact NZ-CE2 3.27Å; K698-Y725 PolarHBondContact NZ-OH 3.42Å; L721-Y725 PolarHBondContact O-N 3.04Å; L722-Y725 WeakPolarHBondContact O-CB 3.45Å; L722-Y725 PolarHBondContact O-N 3.05Å; E723-Y725 VanDerWaalsContact C-N 3.28Å; E723-Y725 PolarHBondContact O-N 3Å; Y725-V727 HydrophobicContact CD1-CG2 4.18Å; Y725-V727 HydrophobicContact CE1-CG2 4.37Å; Y725-E731 VanDerWaalsContact OH-CD 3.29Å; Y725-E731 PolarHBondContact OH-OE1 3.48Å; Y725-E731 PolarHBondContact OH-OE2 2.95Å; Y725-I734 HydrophobicContact CD1-CD1 3.46Å; Y725-I734 VanDerWaalsContact CD1-CD1 3.46Å; Y725-I734 HydrophobicContact CD1-CG1 4.47Å; Y725-I734 HydrophobicContact CE1-CD1 4.14Å; Y725-I734 HydrophobicContact CG-CD1 3.89Å
726S96.1Very high95.4Very high45 Ų4566 Ų6632%0.31534%0.344SS..  trans-100.8110.6174.5-60.20000110.3C652 R653 C724 E728C652-S726 PolarHBondContact O-N 3.17Å; R653-S726 WeakPolarHBondContact CG-O 3.24Å; R653-S726 PolarHBondContact NH2-OG 2.94Å; C724-S726 PolarHBondContact O-N 2.97Å; S726-E728 PolarHBondContact O-N 3.26Å
727V95.4Very high95.3Very high55 Ų5567.4 Ų67.433%0.33335%0.349SS..  trans-64.4126.5-179.8-174.90000111.1Y725 E731 L733 I734Y725-V727 HydrophobicContact CD1-CG2 4.18Å; Y725-V727 HydrophobicContact CE1-CG2 4.37Å; V727-E731 HydrophobicContact CG1-CB 3.68Å; V727-L733 HydrophobicContact CG1-CD2 4.38Å; V727-L733 HydrophobicContact CG2-CD2 4.38Å; V727-I734 HydrophobicContact CG2-CD1 4.42Å; V727-I734 HydrophobicContact CG2-CG1 4.17Å
728E94.7Very high95.3Very high42 Ų4267.4 Ų67.420%0.19635%0.349CS..  trans-82.7160.6176.5-59.5-174.1136.900111.7R653 S655 S726 N730 E731R653-E728 HydrophobicContact CB-CG 4.15Å; S655-E728 WeakPolarHBondContact CB-OE1 3.27Å; S655-E728 WeakPolarHBondContact CB-OE2 3.27Å; S655-E728 PolarHBondContact N-OE2 2.97Å; S655-E728 PolarHBondContact OG-OE1 3.37Å; S726-E728 PolarHBondContact O-N 3.26Å; E728-N730 VanDerWaalsContact CB-OD1 3.31Å; E728-N730 WeakPolarHBondContact CB-OD1 3.27Å; E728-N730 PolarHBondContact O-N 3.23Å; E728-E731 HydrophobicContact CB-CG 4.34Å; E728-E731 WeakPolarHBondContact CB-OE1 3.23Å; E728-E731 PolarHBondContact N-OE1 3.33Å; E728-E731 WeakPolarHBondContact O-CB 3.43Å; E728-E731 PolarHBondContact O-N 3.39Å
729S91.3Very high95.2Very high134 Ų13469 Ų6994%0.93736%0.358SS*.THydrogen-bonded Turntrans-63.9-17.2-172.253.40000115
730N91.3Very high95.2Very high110 Ų11071.6 Ų71.659%0.58837%0.366SS*.THydrogen-bonded Turntrans-94.73.1176.763.4-58.4000113.3E728E728-N730 VanDerWaalsContact CB-OD1 3.31Å; E728-N730 WeakPolarHBondContact CB-OD1 3.27Å; E728-N730 PolarHBondContact O-N 3.23Å
731E93.5Very high95.2Very high35 Ų3572.2 Ų72.216%0.16437%0.37CS..SBendtrans-109.2151.7-176.8-64.3-176.5-90.300112.1Y725 V727 E728Y725-E731 VanDerWaalsContact OH-CD 3.29Å; Y725-E731 PolarHBondContact OH-OE1 3.48Å; Y725-E731 PolarHBondContact OH-OE2 2.95Å; V727-E731 HydrophobicContact CG1-CB 3.68Å; E728-E731 HydrophobicContact CB-CG 4.34Å; E728-E731 WeakPolarHBondContact CB-OE1 3.23Å; E728-E731 PolarHBondContact N-OE1 3.33Å; E728-E731 WeakPolarHBondContact O-CB 3.43Å; E728-E731 PolarHBondContact O-N 3.39Å
732E91.3Very high95.2Very high150 Ų15072.2 Ų72.270%0.70137%0.37SS*.PPolyproline II helixtrans-75.1148.5167.1-67.5176.2-161.100110.1T699 I734T699-E732 HydrophobicContact CG2-CB 4.49Å; T699-E732 WeakPolarHBondContact CG2-OE2 3.38Å; E732-I734 PolarHBondContact O-N 3.19Å
733L92.1Very high95.2Very high147 Ų14773.4 Ų73.477%0.7738%0.376SS*.PPolyproline II helixtrans-62.1137.5173.7-68.6174.1000110V727 D735V727-L733 HydrophobicContact CG1-CD2 4.38Å; V727-L733 HydrophobicContact CG2-CD2 4.38Å; L733-D735 PolarHBondContact O-N 3.11Å
734I93Very high95.3Very high37 Ų3770.9 Ų70.919%0.1936%0.364CS..PPolyproline II helixtrans-68.3120.2179.2-55.2174.6000108.9K698 Y725 V727 E732 F738 V739K698-I734 HydrophobicContact CB-CD1 4.46Å; K698-I734 HydrophobicContact CB-CG1 4.05Å; K698-I734 HydrophobicContact CB-CG2 4.34Å; K698-I734 HydrophobicContact CD-CD1 3.51Å; K698-I734 HydrophobicContact CD-CG1 3.98Å; Y725-I734 HydrophobicContact CD1-CD1 3.46Å; Y725-I734 VanDerWaalsContact CD1-CD1 3.46Å; Y725-I734 HydrophobicContact CD1-CG1 4.47Å; Y725-I734 HydrophobicContact CE1-CD1 4.14Å; Y725-I734 HydrophobicContact CG-CD1 3.89Å; V727-I734 HydrophobicContact CG2-CD1 4.42Å; V727-I734 HydrophobicContact CG2-CG1 4.17Å; E732-I734 PolarHBondContact O-N 3.19Å; I734-F738 HydrophobicContact CG2-CD1 3.88Å; I734-V739 HydrophobicContact CG2-CG2 3.56Å
735D93.3Very high95.4Very high74 Ų7470.2 Ų70.240%0.39636%0.358SS..PPolyproline II helixtrans-66.1132.8173.3-168.1-21.2000110.1L733 Q737 F738 V739L733-D735 PolarHBondContact O-N 3.11Å; D735-Q737 PolarHBondContact O-N 2.81Å; D735-Q737 WeakPolarHBondContact OD1-CB 3.43Å; D735-Q737 PolarHBondContact OD1-N 3.1Å; D735-F738 HydrophobicContact CB-CB 4.18Å; D735-F738 WeakPolarHBondContact O-CB 3.24Å; D735-F738 PolarHBondContact O-N 3.14Å; D735-V739 PolarHBondContact O-N 2.9Å
736R94.7Very high95.4Very high190 Ų19069.3 Ų69.372%0.71736%0.355SS*.Hα-helixtrans-56.9-35.9173.5-175.7178.6174.71225.2111.5F738 V739 E740R736-F738 VanDerWaalsContact C-N 3.32Å; R736-F738 PolarHBondContact O-N 3.02Å; R736-V739 PolarHBondContact O-N 2.76Å; R736-E740 HydrophobicContact CG-CG 4.47Å; R736-E740 IonicContact CZ-OE1 2.77Å; R736-E740 IonicContact NE-OE1 3.19Å; R736-E740 PolarHBondContact NE-OE1 2.84Å; R736-E740 IonicContact NH2-OE1 3.87Å; R736-E740 PolarHBondContact NH2-OE1 3.03Å; R736-E740 WeakPolarHBondContact O-CG 3.35Å; R736-E740 PolarHBondContact O-N 3.17Å
737Q96.3Very high95.5Very high103 Ų10371.6 Ų71.648%0.48136%0.36SS..Hα-helixtrans-64.3-37.1176.8-171.1177.410.600111.9L700 D735 L741L700-Q737 HydrophobicContact CD2-CG 4.3Å; D735-Q737 PolarHBondContact O-N 2.81Å; D735-Q737 WeakPolarHBondContact OD1-CB 3.43Å; D735-Q737 PolarHBondContact OD1-N 3.1Å; Q737-L741 HydrophobicContact CG-CD1 3.93Å; Q737-L741 HydrophobicContact CG-CG 4.36Å; Q737-L741 WeakPolarHBondContact O-CB 3.42Å; Q737-L741 VanDerWaalsContact O-CG 3.27Å; Q737-L741 WeakPolarHBondContact O-CG 3.37Å; Q737-L741 PolarHBondContact O-N 3.15Å
738F96.9Very high95.5Very high0 Ų077.4 Ų77.40%038%0.376CS..Hα-helixtrans-61.7-45.3174.9169.3-87.8000111.1K698 T699 L700 L703 I706 L722 I734 D735 R736 L742K698-F738 HydrophobicContact CB-CD1 4.13Å; K698-F738 HydrophobicContact CB-CE1 3.63Å; K698-F738 HydrophobicContact CB-CZ 3.88Å; K698-F738 HydrophobicContact CG-CE1 3.96Å; K698-F738 HydrophobicContact CG-CZ 4.14Å; T699-F738 WeakPolarHBondContact O-CD2 3.37Å; T699-F738 WeakPolarHBondContact O-CE2 3.32Å; L700-F738 HydrophobicContact CD2-CB 4.08Å; L703-F738 HydrophobicContact CB-CD2 4.3Å; L703-F738 HydrophobicContact CB-CE2 4.33Å; L703-F738 HydrophobicContact CD1-CD2 3.89Å; L703-F738 HydrophobicContact CD1-CE2 3.98Å; I706-F738 HydrophobicContact CD1-CE2 3.98Å; I706-F738 HydrophobicContact CD1-CZ 3.69Å; L722-F738 HydrophobicContact CD2-CE1 4.46Å; I734-F738 HydrophobicContact CG2-CD1 3.88Å; D735-F738 HydrophobicContact CB-CB 4.18Å; D735-F738 WeakPolarHBondContact O-CB 3.24Å; D735-F738 PolarHBondContact O-N 3.14Å; R736-F738 VanDerWaalsContact C-N 3.32Å; R736-F738 PolarHBondContact O-N 3.02Å; F738-L742 HydrophobicContact CE1-CD2 3.96Å; F738-L742 HydrophobicContact CZ-CD2 3.84Å; F738-L742 WeakPolarHBondContact O-CB 3.41Å; F738-L742 PolarHBondContact O-N 2.8Å
739V97.3Very high95.4Very high32 Ų3278.8 Ų78.819%0.19438%0.383CS..Hα-helixtrans-61.9-49.9178.8-179.80000110.9L722 I734 D735 R736 L741 L742 I743L722-V739 HydrophobicContact CB-CG1 4.28Å; L722-V739 HydrophobicContact CB-CG2 4.38Å; L722-V739 HydrophobicContact CD1-CB 4.38Å; L722-V739 HydrophobicContact CD1-CG1 4Å; L722-V739 HydrophobicContact CD1-CG2 4.21Å; I734-V739 HydrophobicContact CG2-CG2 3.56Å; D735-V739 PolarHBondContact O-N 2.9Å; R736-V739 PolarHBondContact O-N 2.76Å; V739-L741 PolarHBondContact O-N 3.14Å; V739-L742 PolarHBondContact O-N 3.12Å; V739-I743 HydrophobicContact CG1-CD1 3.79Å; V739-I743 HydrophobicContact CG1-CG1 4.48Å; V739-I743 VanDerWaalsContact O-CG1 3.27Å; V739-I743 WeakPolarHBondContact O-CG1 3.45Å; V739-I743 PolarHBondContact O-N 3.19Å
740E98Very high95.6Very high85 Ų8572.7 Ų72.740%0.39734%0.34SS..Hα-helixtrans-61-43.6-178.7-71.9174.8-176.900111.8R736 Q744R736-E740 HydrophobicContact CG-CG 4.47Å; R736-E740 IonicContact CZ-OE1 2.77Å; R736-E740 IonicContact NE-OE1 3.19Å; R736-E740 PolarHBondContact NE-OE1 2.84Å; R736-E740 IonicContact NH2-OE1 3.87Å; R736-E740 PolarHBondContact NH2-OE1 3.03Å; R736-E740 WeakPolarHBondContact O-CG 3.35Å; R736-E740 PolarHBondContact O-N 3.17Å; E740-Q744 WeakPolarHBondContact O-CG 3.4Å; E740-Q744 PolarHBondContact O-N 2.85Å; E740-Q744 VanDerWaalsContact O-N 3.14Å
741L98.1Very high95.9Very high53 Ų5367.6 Ų67.628%0.27731%0.313SS..Hα-helixtrans-69-38178-69.5172.6000112.6L700 L703 Q737 V739 Q744 I745L700-L741 HydrophobicContact CD2-CD1 3.99Å; L703-L741 HydrophobicContact CD1-CB 4.11Å; L703-L741 HydrophobicContact CD2-CB 3.7Å; L703-L741 HydrophobicContact CD2-CD1 3.72Å; L703-L741 HydrophobicContact CD2-CG 4.34Å; Q737-L741 HydrophobicContact CG-CD1 3.93Å; Q737-L741 HydrophobicContact CG-CG 4.36Å; Q737-L741 WeakPolarHBondContact O-CB 3.42Å; Q737-L741 VanDerWaalsContact O-CG 3.27Å; Q737-L741 WeakPolarHBondContact O-CG 3.37Å; Q737-L741 PolarHBondContact O-N 3.15Å; V739-L741 PolarHBondContact O-N 3.14Å; L741-Q744 WeakPolarHBondContact O-CB 3.45Å; L741-Q744 PolarHBondContact O-N 3.02Å; L741-I745 WeakPolarHBondContact O-CG1 3.46Å; L741-I745 PolarHBondContact O-N 2.89Å
742L98Very high95.9Very high0 Ų070.3 Ų70.30%033%0.325CS..Hα-helixtrans-69.9-35.3179.4-167.461.9000111.9L693 L703 I706 L710 V718 L722 F738 V739 I745 A746L693-L742 HydrophobicContact CD1-CD2 3.71Å; L703-L742 HydrophobicContact CD1-CB 3.88Å; L703-L742 HydrophobicContact CD1-CD1 4.06Å; I706-L742 HydrophobicContact CB-CD1 4.5Å; I706-L742 HydrophobicContact CG2-CD1 4.03Å; I706-L742 HydrophobicContact CG2-CD2 3.8Å; L710-L742 HydrophobicContact CD1-CD1 3.48Å; L710-L742 VanDerWaalsContact CD1-CD1 3.48Å; L710-L742 HydrophobicContact CD1-CD2 4.32Å; L710-L742 HydrophobicContact CD1-CG 3.75Å; L710-L742 HydrophobicContact CG-CD1 4.46Å; V718-L742 HydrophobicContact CG1-CD2 4.21Å; V718-L742 HydrophobicContact CG1-CG 4.11Å; L722-L742 HydrophobicContact CD1-CD2 4.18Å; F738-L742 HydrophobicContact CE1-CD2 3.96Å; F738-L742 HydrophobicContact CZ-CD2 3.84Å; F738-L742 WeakPolarHBondContact O-CB 3.41Å; F738-L742 PolarHBondContact O-N 2.8Å; V739-L742 PolarHBondContact O-N 3.12Å; L742-I745 HydrophobicContact CD1-CD1 4.2Å; L742-I745 WeakPolarHBondContact O-CB 3.46Å; L742-I745 PolarHBondContact O-N 3.15Å; L742-A746 PolarHBondContact O-N 3.13Å; L742-A746 VanDerWaalsContact O-N 3.07Å
743I98.3Very high95.9Very high36 Ų3666.7 Ų66.719%0.18531%0.313CS..Hα-helixtrans-60.4-46170.3-69.6168000110.1V718 A719 V739 I745 A746 E747V718-I743 HydrophobicContact CG1-CG1 4.28Å; A719-I743 HydrophobicContact CB-CD1 3.66Å; A719-I743 HydrophobicContact CB-CG1 4.11Å; V739-I743 HydrophobicContact CG1-CD1 3.79Å; V739-I743 HydrophobicContact CG1-CG1 4.48Å; V739-I743 VanDerWaalsContact O-CG1 3.27Å; V739-I743 WeakPolarHBondContact O-CG1 3.45Å; V739-I743 PolarHBondContact O-N 3.19Å; I743-I745 VanDerWaalsContact C-N 3.29Å; I743-I745 PolarHBondContact O-N 2.84Å; I743-A746 PolarHBondContact O-N 3.27Å; I743-A746 VanDerWaalsContact O-N 3.1Å; I743-E747 HydrophobicContact CG2-CG 4.3Å; I743-E747 WeakPolarHBondContact O-CG 3.26Å; I743-E747 PolarHBondContact O-N 3.22Å
744Q98Very high95.9Very high108 Ų10860.7 Ų60.751%0.50528%0.282SS..Hα-helixtrans-60.8-36.3176.7-71.2171.715.800112.7E740 L741 R748E740-Q744 WeakPolarHBondContact O-CG 3.4Å; E740-Q744 PolarHBondContact O-N 2.85Å; E740-Q744 VanDerWaalsContact O-N 3.14Å; L741-Q744 WeakPolarHBondContact O-CB 3.45Å; L741-Q744 PolarHBondContact O-N 3.02Å; Q744-R748 WeakPolarHBondContact O-CB 3.17Å; Q744-R748 PolarHBondContact O-N 2.93Å
745I97.7Very high95.8Very high20 Ų2064.5 Ų64.510%0.10330%0.297CS..Hα-helixtrans-61.6-47.6173.5-68.3169.1000110.2L703 L741 L742 I743 R748 Q749L703-I745 HydrophobicContact CD1-CD1 4.13Å; L703-I745 HydrophobicContact CG-CD1 4.04Å; L741-I745 WeakPolarHBondContact O-CG1 3.46Å; L741-I745 PolarHBondContact O-N 2.89Å; L742-I745 HydrophobicContact CD1-CD1 4.2Å; L742-I745 WeakPolarHBondContact O-CB 3.46Å; L742-I745 PolarHBondContact O-N 3.15Å; I743-I745 VanDerWaalsContact C-N 3.29Å; I743-I745 PolarHBondContact O-N 2.84Å; I745-R748 PolarHBondContact O-N 3.48Å; I745-Q749 HydrophobicContact CG2-CG 4.35Å; I745-Q749 WeakPolarHBondContact O-CB 3.5Å; I745-Q749 WeakPolarHBondContact O-CG 3.38Å; I745-Q749 PolarHBondContact O-N 2.97Å
746A97.8Very high95.7Very high0 Ų065.7 Ų65.70%030%0.304CS..Hα-helixtrans-64.7-40.9178.300000112.7L710 V718 L742 I743 R748 Q749 V750 D751L710-A746 HydrophobicContact CD1-CB 4.43Å; V718-A746 HydrophobicContact CG2-CB 3.98Å; L742-A746 PolarHBondContact O-N 3.13Å; L742-A746 VanDerWaalsContact O-N 3.07Å; I743-A746 PolarHBondContact O-N 3.27Å; I743-A746 VanDerWaalsContact O-N 3.1Å; A746-R748 VanDerWaalsContact C-N 3.31Å; A746-R748 PolarHBondContact O-N 3.13Å; A746-Q749 PolarHBondContact O-N 3.42Å; A746-V750 WeakPolarHBondContact O-CA 3.38Å; A746-V750 WeakPolarHBondContact O-CB 3.36Å; A746-V750 PolarHBondContact O-N 2.92Å; A746-D751 PolarHBondContact O-N 3.42Å; A746-D751 VanDerWaalsContact O-N 3.1Å
747E98.1Very high95.4Very high93 Ų9361.7 Ų61.744%0.43530%0.296SS..Iπ-helixtrans-58.2-44.1174.6-72.9178.8150.700111.6S715 I743 D751 Q752S715-E747 VanDerWaalsContact CB-CG 3.48Å; I743-E747 HydrophobicContact CG2-CG 4.3Å; I743-E747 WeakPolarHBondContact O-CG 3.26Å; I743-E747 PolarHBondContact O-N 3.22Å; E747-D751 WeakPolarHBondContact O-CB 3.33Å; E747-Q752 PolarHBondContact O-N 2.85Å; E747-Q752 VanDerWaalsContact O-N 3.17Å
748R96Very high95Very high177 Ų17766.1 Ų66.167%0.66831%0.314SS*.Iπ-helixtrans-72.5-40.1-178.9-175.1178.563.7168.2-0.8112.7Q744 I745 A746 Q752Q744-R748 WeakPolarHBondContact O-CB 3.17Å; Q744-R748 PolarHBondContact O-N 2.93Å; I745-R748 PolarHBondContact O-N 3.48Å; A746-R748 VanDerWaalsContact C-N 3.31Å; A746-R748 PolarHBondContact O-N 3.13Å; R748-Q752 WeakPolarHBondContact O-CB 3.35Å
749Q93.4Very high94.5Very high70 Ų7071.4 Ų71.433%0.32734%0.339SS..Iπ-helixtrans-93-40.6-170.5-67.9-178.4-3.100113.6G707 L710 I745 A746 V753G707-Q749 PolarHBondContact O-OE1 3.37Å; L710-Q749 PolarHBondContact O-OE1 2.92Å; I745-Q749 HydrophobicContact CG2-CG 4.35Å; I745-Q749 WeakPolarHBondContact O-CB 3.5Å; I745-Q749 WeakPolarHBondContact O-CG 3.38Å; I745-Q749 PolarHBondContact O-N 2.97Å; A746-Q749 PolarHBondContact O-N 3.42Å; Q749-V753 WeakPolarHBondContact O-CG2 3.27Å
750V95.4Very high94.2Very high7 Ų773.6 Ų73.64%0.04235%0.354CS..Iπ-helixtrans-105.4-52-171.9-1770000110.7L710 K712 L713 N714 A746 Q752 V753 L754L710-V750 VanDerWaalsContact O-CG2 3.25Å; L710-V750 WeakPolarHBondContact O-CG2 3.41Å; K712-V750 WeakPolarHBondContact O-CG1 3.37Å; L713-V750 WeakPolarHBondContact O-CG2 3.44Å; N714-V750 HydrophobicContact CB-CG1 4.22Å; A746-V750 WeakPolarHBondContact O-CA 3.38Å; A746-V750 WeakPolarHBondContact O-CB 3.36Å; A746-V750 PolarHBondContact O-N 2.92Å; V750-Q752 VanDerWaalsContact C-N 3.3Å; V750-Q752 PolarHBondContact O-N 3.19Å; V750-V753 PolarHBondContact O-N 3.23Å; V750-V753 VanDerWaalsContact O-N 3.1Å; V750-L754 HydrophobicContact CG1-CD1 3.99Å; V750-L754 HydrophobicContact CG1-CG 4.39Å; V750-L754 WeakPolarHBondContact O-CG 3.23Å; V750-L754 PolarHBondContact O-N 2.96Å
751D97.6Very high94Very high3 Ų372 Ų722%0.01635%0.348CS..Iπ-helixtrans-64.5-38-176.4-64.411.5000111.9N714 S715 A746 E747 V753 L754 K755 L761N714-D751 WeakPolarHBondContact CA-OD1 3.43Å; N714-D751 VanDerWaalsContact CB-OD1 3.26Å; N714-D751 WeakPolarHBondContact CB-OD1 3.28Å; S715-D751 WeakPolarHBondContact CB-OD2 3.26Å; S715-D751 PolarHBondContact N-OD1 3.1Å; S715-D751 PolarHBondContact OG-OD2 3.2Å; A746-D751 PolarHBondContact O-N 3.42Å; A746-D751 VanDerWaalsContact O-N 3.1Å; E747-D751 WeakPolarHBondContact O-CB 3.33Å; D751-V753 VanDerWaalsContact C-N 3.29Å; D751-V753 PolarHBondContact O-N 3.12Å; D751-L754 PolarHBondContact O-N 2.76Å; D751-K755 WeakPolarHBondContact O-CB 3.24Å; D751-K755 VanDerWaalsContact O-CG 3.24Å; D751-K755 WeakPolarHBondContact O-CG 3.24Å; D751-K755 PolarHBondContact O-N 3.07Å; D751-L761 HydrophobicContact CB-CD1 4.1Å; D751-L761 HydrophobicContact CB-CD2 3.78Å; D751-L761 WeakPolarHBondContact OD2-CD1 3.3Å
752Q93.3Very high93.9Very high91 Ų9173.6 Ų73.643%0.42535%0.354SS..Hα-helixtrans-61.6-39.4176.1-170.759.647.300111.7E747 R748 V750 N756E747-Q752 PolarHBondContact O-N 2.85Å; E747-Q752 VanDerWaalsContact O-N 3.17Å; R748-Q752 WeakPolarHBondContact O-CB 3.35Å; V750-Q752 VanDerWaalsContact C-N 3.3Å; V750-Q752 PolarHBondContact O-N 3.19Å; Q752-N756 PolarHBondContact NE2-OD1 3.16Å; Q752-N756 WeakPolarHBondContact O-CB 3.19Å; Q752-N756 PolarHBondContact O-N 3.21Å; Q752-N756 PolarHBondContact O-ND2 2.98Å; Q752-N756 PolarHBondContact O-OD1 3.43Å
753V91.7Very high93.9Very high75 Ų7576.1 Ų76.146%0.45537%0.367SS..Hα-helixtrans-67-46.4176.4175.50000110.3Q749 V750 D751 K755 N756 D757Q749-V753 WeakPolarHBondContact O-CG2 3.27Å; V750-V753 PolarHBondContact O-N 3.23Å; V750-V753 VanDerWaalsContact O-N 3.1Å; D751-V753 VanDerWaalsContact C-N 3.29Å; D751-V753 PolarHBondContact O-N 3.12Å; V753-K755 VanDerWaalsContact C-N 3.34Å; V753-K755 PolarHBondContact O-N 3.38Å; V753-N756 PolarHBondContact O-N 3.07Å; V753-D757 PolarHBondContact O-N 3.27Å
754L90.7Very high93.8Very high21 Ų2179.8 Ų79.811%0.1138%0.384CS..Hα-helixtrans-60.5-42.4177.3-67.9173.4000112N714 V750 D751 N756 D757 F758 Q759 L761N714-L754 HydrophobicContact CB-CD1 4.03Å; V750-L754 HydrophobicContact CG1-CD1 3.99Å; V750-L754 HydrophobicContact CG1-CG 4.39Å; V750-L754 WeakPolarHBondContact O-CG 3.23Å; V750-L754 PolarHBondContact O-N 2.96Å; D751-L754 PolarHBondContact O-N 2.76Å; L754-N756 PolarHBondContact O-N 2.99Å; L754-D757 CarbonylContact O-C 3.48Å; L754-D757 PolarHBondContact O-N 2.85Å; L754-F758 PolarHBondContact O-N 2.78Å; L754-F758 VanDerWaalsContact O-N 3.11Å; L754-Q759 HydrophobicContact CB-CB 4.3Å; L754-Q759 HydrophobicContact CD2-CB 3.94Å; L754-Q759 PolarHBondContact O-N 2.73Å; L754-L761 HydrophobicContact CB-CD2 4.12Å; L754-L761 HydrophobicContact CD1-CD2 3.7Å
755K90.9Very high93.7Very high116 Ų11676 Ų7650%0.50437%0.366SS..Hα-helixtrans-62-42.1175.2-74.8171.1-174.2169.20112D751 V753 D757 F758D751-K755 WeakPolarHBondContact O-CB 3.24Å; D751-K755 VanDerWaalsContact O-CG 3.24Å; D751-K755 WeakPolarHBondContact O-CG 3.24Å; D751-K755 PolarHBondContact O-N 3.07Å; V753-K755 VanDerWaalsContact C-N 3.34Å; V753-K755 PolarHBondContact O-N 3.38Å; K755-D757 VanDerWaalsContact C-N 3.28Å; K755-D757 PolarHBondContact O-N 3.42Å; K755-F758 PolarHBondContact O-N 2.98Å
756N91.1Very high93.5Very high100 Ų10079 Ų7954%0.53538%0.379SS..Hα-helixtrans-65-34.1176.8-67.8-10.8000111.8Q752 V753 L754 F758Q752-N756 PolarHBondContact NE2-OD1 3.16Å; Q752-N756 WeakPolarHBondContact O-CB 3.19Å; Q752-N756 PolarHBondContact O-N 3.21Å; Q752-N756 PolarHBondContact O-ND2 2.98Å; Q752-N756 PolarHBondContact O-OD1 3.43Å; V753-N756 PolarHBondContact O-N 3.07Å; L754-N756 PolarHBondContact O-N 2.99Å; N756-F758 VanDerWaalsContact C-N 3.26Å; N756-F758 PolarHBondContact O-N 2.9Å
757D88Confident93.2Very high105 Ų10584.3 Ų84.356%0.56141%0.406SS*.THydrogen-bonded Turntrans-85.57176.9-69.5-11000113.1V753 L754 K755 Q759V753-D757 PolarHBondContact O-N 3.27Å; L754-D757 CarbonylContact O-C 3.48Å; L754-D757 PolarHBondContact O-N 2.85Å; K755-D757 VanDerWaalsContact C-N 3.28Å; K755-D757 PolarHBondContact O-N 3.42Å; D757-Q759 HydrophobicContact CB-CG 4.21Å; D757-Q759 PolarHBondContact O-N 2.85Å
758F89.4Confident92.9Very high196 Ų19684.3 Ų84.386%0.8641%0.41SS*.THydrogen-bonded Turntrans55.227.6-175.8-57.4-84.5000114.4L754 K755 N756L754-F758 PolarHBondContact O-N 2.78Å; L754-F758 VanDerWaalsContact O-N 3.11Å; K755-F758 PolarHBondContact O-N 2.98Å; N756-F758 VanDerWaalsContact C-N 3.26Å; N756-F758 PolarHBondContact O-N 2.9Å
759Q86.7Confident92.7Very high111 Ų11177 Ų7752%0.51938%0.384SS..PPolyproline II helixtrans-90.4134.5175.5-64.3-161.5-33.200110.9L754 D757L754-Q759 HydrophobicContact CB-CB 4.3Å; L754-Q759 HydrophobicContact CD2-CB 3.94Å; L754-Q759 PolarHBondContact O-N 2.73Å; D757-Q759 HydrophobicContact CB-CG 4.21Å; D757-Q759 PolarHBondContact O-N 2.85Å
760P89.8Confident92.4Very high78 Ų7880 Ų8051%0.50640%0.401SS..PPolyproline II helixtrans-70.4144.3179.429.6-34.5000111.5Q762P760-Q762 HydrophobicContact CB-CG 4.22Å; P760-Q762 HydrophobicContact CG-CG 4.27Å; P760-Q762 PolarHBondContact O-N 2.82Å
761L94.3Very high91.9Very high53 Ų5383.2 Ų83.228%0.27742%0.418SS..PPolyproline II helixtrans-75.8122.3167.6-58.3177000108.8N714 I716 D751 L754N714-L761 HydrophobicContact CB-CD2 4.22Å; I716-L761 HydrophobicContact CD1-CB 3.79Å; D751-L761 HydrophobicContact CB-CD1 4.1Å; D751-L761 HydrophobicContact CB-CD2 3.78Å; D751-L761 WeakPolarHBondContact OD2-CD1 3.3Å; L754-L761 HydrophobicContact CB-CD2 4.12Å; L754-L761 HydrophobicContact CD1-CD2 3.7Å
762Q95.3Very high91.4Very high85 Ų8587.3 Ų87.340%0.39744%0.444SS..  trans-137.1151.5-178.2-63.8-174.8-7.900110.7N714 P760N714-Q762 PolarHBondContact ND2-O 2.69Å; P760-Q762 HydrophobicContact CB-CG 4.22Å; P760-Q762 HydrophobicContact CG-CG 4.27Å; P760-Q762 PolarHBondContact O-N 2.82Å
763L97.6Very high91.3Very high53 Ų5384.7 Ų84.728%0.27743%0.432SS..SBendtrans-72.1-50.5175.217860.5000110.6F640 V644 I716 Q717 H720F640-L763 WeakPolarHBondContact CE1-O 3.24Å; V644-L763 HydrophobicContact CB-CD1 4.09Å; V644-L763 HydrophobicContact CB-CD2 4.5Å; V644-L763 HydrophobicContact CB-CG 4.2Å; V644-L763 HydrophobicContact CG1-CD1 4.12Å; V644-L763 HydrophobicContact CG2-CD1 4.48Å; V644-L763 HydrophobicContact CG2-CG 4.14Å; I716-L763 HydrophobicContact CG2-CB 4.25Å; I716-L763 HydrophobicContact CG2-CD1 4.33Å; Q717-L763 HydrophobicContact CG-CD1 4.37Å; Q717-L763 WeakPolarHBondContact CG-O 3.11Å; Q717-L763 PolarHBondContact NE2-O 3.22Å; H720-L763 HydrophobicContact CB-CD1 3.61Å
764E97.5Very high91.4Very high114 Ų11484.9 Ų84.953%0.53343%0.43SS..SBendtrans-86.7151.5-178.3-66.3-179.9175.600111.8N641 V644N641-E764 WeakPolarHBondContact OD1-CA 3.41Å; V644-E764 HydrophobicContact CG2-CG 4.18Å
765E94.8Very high91.5Very high27 Ų2785.7 Ų85.713%0.12643%0.434CS..PPolyproline II helixtrans-75.7142168.3-76.1-69.1107.600110.9N636 M637 F640 N641 R686 I767N636-E765 PolarHBondContact ND2-OE2 2.71Å; M637-E765 HydrophobicContact CB-CB 4.19Å; M637-E765 HydrophobicContact CG-CB 4.13Å; F640-E765 HydrophobicContact CB-CG 4.4Å; F640-E765 HydrophobicContact CD1-CB 4.45Å; F640-E765 HydrophobicContact CD1-CG 3.71Å; F640-E765 HydrophobicContact CE1-CG 4.35Å; F640-E765 HydrophobicContact CG-CG 4.19Å; N641-E765 PolarHBondContact ND2-O 2.82Å; N641-E765 PolarHBondContact OD1-N 3.36Å; R686-E765 HydrophobicContact CG-CG 4.23Å; R686-E765 IonicContact CZ-OE1 2.82Å; R686-E765 IonicContact NE-OE1 3.25Å; R686-E765 IonicContact NH1-OE1 2.69Å; R686-E765 PolarHBondContact NH1-OE1 3.38Å; R686-E765 IonicContact NH2-OE1 3.81Å; R686-E765 PolarHBondContact NH2-OE1 2.66Å; R686-E765 IonicContact NH2-OE2 3.98Å; E765-I767 PolarHBondContact O-N 2.87Å
766E93.7Very high91.5Very high84 Ų8480.8 Ų80.839%0.39341%0.414SS..PPolyproline II helixtrans-60.1136.2176.6-68.4-171.8164.400111.6H633 D768 L770H633-E766 PolarHBondContact NE2-O 2.69Å; E766-D768 VanDerWaalsContact C-N 3.28Å; E766-D768 PolarHBondContact O-N 2.87Å; E766-L770 WeakPolarHBondContact OE2-CD1 3.43Å
767I91.6Very high91.3Very high111 Ų11181.7 Ų81.757%0.56942%0.419SS*.SBendtrans-61.8-39.9-180-63.7174.1000111.1M637 E765M637-I767 HydrophobicContact CE-CB 4.47Å; M637-I767 HydrophobicContact CE-CG2 4.17Å; M637-I767 HydrophobicContact SD-CG1 4.38Å; E765-I767 PolarHBondContact O-N 2.87Å
768D91.4Very high91.2Very high94 Ų9481.6 Ų81.650%0.50342%0.418SS..SBendtrans-104.7136.9-176.4-69.1-49.2000111.3K579 E766 L770K579-D768 IonicContact NZ-OD1 2.73Å; E766-D768 VanDerWaalsContact C-N 3.28Å; E766-D768 PolarHBondContact O-N 2.87Å; D768-L770 HydrophobicContact CB-CD2 4.44Å; D768-L770 PolarHBondContact O-N 3.09Å
769L92.3Very high91.1Very high23 Ų2374.6 Ų74.612%0.1240%0.402CS..  trans-83.9103.7172.6174.562.2000109.3Q630 H633 R683 L771Q630-L769 PolarHBondContact NE2-O 3.04Å; H633-L769 HydrophobicContact CB-CB 4.09Å; H633-L769 HydrophobicContact CB-CD2 4.09Å; R683-L769 VanDerWaalsContact NH1-CD1 3.32Å; L769-L771 VanDerWaalsContact C-N 3.27Å; L769-L771 HydrophobicContact CD1-CD1 3.93Å; L769-L771 HydrophobicContact CD1-CG 3.99Å; L769-L771 HydrophobicContact CD2-CD1 3.67Å; L769-L771 HydrophobicContact CD2-CG 4.39Å; L769-L771 HydrophobicContact CG-CD1 3.77Å; L769-L771 HydrophobicContact CG-CG 3.94Å; L769-L771 PolarHBondContact O-N 3.26Å
770L86.6Confident91.4Very high132 Ų13269.7 Ų69.769%0.69138%0.378SS*.  trans-77.567.2-177.5-58.1-179.3000112.8E766 D768E766-L770 WeakPolarHBondContact OE2-CD1 3.43Å; D768-L770 HydrophobicContact CB-CD2 4.44Å; D768-L770 PolarHBondContact O-N 3.09Å
771L84.7Confident91.4Very high75 Ų7567.3 Ų67.339%0.39336%0.363SS..  trans-109.7141171.7-69.1171.3000111.6L769 F773L769-L771 VanDerWaalsContact C-N 3.27Å; L769-L771 HydrophobicContact CD1-CD1 3.93Å; L769-L771 HydrophobicContact CD1-CG 3.99Å; L769-L771 HydrophobicContact CD2-CD1 3.67Å; L769-L771 HydrophobicContact CD2-CG 4.39Å; L769-L771 HydrophobicContact CG-CD1 3.77Å; L769-L771 HydrophobicContact CG-CG 3.94Å; L769-L771 PolarHBondContact O-N 3.26Å; L771-F773 PolarHBondContact O-N 2.57Å
772P88.1Confident91Very high89 Ų8964.8 Ų64.858%0.57835%0.35SS*.  trans-58.2129.6168.7-21.932.6000110.6
773F92.1Very high90.5Very high37 Ų3764.3 Ų64.316%0.16235%0.348CS..  trans-68.6132.2170.8177.9-108.2000110V567 Q568 F571 L623 L771 I775V567-F773 HydrophobicContact CG1-CE1 4.15Å; V567-F773 HydrophobicContact CG1-CZ 3.87Å; Q568-F773 HydrophobicContact CB-CD1 3.73Å; Q568-F773 HydrophobicContact CB-CE1 3.8Å; Q568-F773 HydrophobicContact CG-CB 4.39Å; Q568-F773 HydrophobicContact CG-CD1 3.71Å; Q568-F773 HydrophobicContact CG-CE1 4.24Å; Q568-F773 HydrophobicContact CG-CG 4.11Å; F571-F773 HydrophobicContact CB-CD2 4.42Å; F571-F773 HydrophobicContact CB-CE2 3.78Å; F571-F773 HydrophobicContact CB-CZ 4.12Å; F571-F773 AromaticContact CD1-CD2 3.88Å; F571-F773 HydrophobicContact CD1-CD2 3.88Å; F571-F773 AromaticContact CD1-CE2 3.96Å; F571-F773 HydrophobicContact CD1-CE2 3.96Å; F571-F773 HydrophobicContact CD2-CD2 4.24Å; F571-F773 AromaticContact CD2-CE2 3.6Å; F571-F773 HydrophobicContact CD2-CE2 3.6Å; F571-F773 HydrophobicContact CE1-CD2 4.17Å; F571-F773 HydrophobicContact CE1-CE2 4.48Å; F571-F773 HydrophobicContact CE2-CD2 4.49Å; F571-F773 HydrophobicContact CE2-CE2 4.14Å; F571-F773 AromaticContact CG-CD2 3.92Å; F571-F773 HydrophobicContact CG-CD2 3.92Å; F571-F773 AromaticContact CG-CE2 3.5Å; F571-F773 HydrophobicContact CG-CE2 3.5Å; F571-F773 HydrophobicContact CG-CZ 4.33Å; F571-F773 HydrophobicContact CZ-CD2 4.47Å; L623-F773 HydrophobicContact CD2-CE2 3.61Å; L623-F773 HydrophobicContact CD2-CZ 3.56Å; L771-F773 PolarHBondContact O-N 2.57Å; F773-I775 HydrophobicContact CD1-CG1 4.36Å; F773-I775 HydrophobicContact CE1-CD1 4.42Å; F773-I775 HydrophobicContact CE1-CG1 3.61Å; F773-I775 HydrophobicContact CZ-CG1 4.29Å
774L92.1Very high89.7Confident79 Ų7969.7 Ų69.741%0.41437%0.374SS..  trans-122.1122-179.5-61.8176.1000110F200 Q626F200-L774 HydrophobicContact CE2-CD1 4.49Å; Q626-L774 PolarHBondContact NE2-O 2.91Å; Q626-L774 PolarHBondContact OE1-O 2.98Å
775I93.3Very high89Confident38 Ų3866 Ų6620%0.19536%0.357CS..  trans-75.4131168.7-59.6178000107.5L542 A564 V567 F773L542-I775 HydrophobicContact CD2-CD1 3.82Å; L542-I775 HydrophobicContact CD2-CG2 4.35Å; A564-I775 HydrophobicContact CB-CD1 3.58Å; V567-I775 HydrophobicContact CB-CD1 4.28Å; V567-I775 HydrophobicContact CG1-CG1 4.35Å; F773-I775 HydrophobicContact CD1-CG1 4.36Å; F773-I775 HydrophobicContact CE1-CD1 4.42Å; F773-I775 HydrophobicContact CE1-CG1 3.61Å; F773-I775 HydrophobicContact CZ-CG1 4.29Å
776P91.5Very high88.4Confident12 Ų1271.6 Ų71.68%0.07838%0.377CS..  trans-59.9148.3177.7-20.531.9000111.9N620 A622 L623 Y780N620-P776 HydrophobicContact CB-CG 4.09Å; N620-P776 WeakPolarHBondContact OD1-CG 3.45Å; A622-P776 HydrophobicContact CB-CB 4.13Å; A622-P776 HydrophobicContact CB-CG 3.85Å; L623-P776 HydrophobicContact CD1-CG 4.3Å; L623-P776 HydrophobicContact CD2-CG 4.26Å; L623-P776 HydrophobicContact CG-CG 3.7Å; P776-Y780 HydrophobicContact CB-CE2 4.22Å; P776-Y780 WeakPolarHBondContact O-CE2 3.5Å; P776-Y780 PolarHBondContact O-OH 3.49Å; P776-Y780 VanDerWaalsContact O-OH 3.06Å
777D85.9Confident87.8Confident120 Ų12068.9 Ų68.964%0.64237%0.371SS*.SBendtrans-96.5-15.6174.1-67.6-42.3000112.1
778D86.5Confident87.5Confident102 Ų10265.1 Ų65.155%0.54535%0.353SS..SBendtrans-143.9-179.8-17264.5-5.8000112.5N620 Y780N620-D778 PolarHBondContact ND2-O 3.47Å; D778-Y780 VanDerWaalsContact C-N 3.35Å
779G86.4Confident87.2Confident50 Ų5062.2 Ų62.252%0.51534%0.34SS..  trans76.223.7176.700000113.8N620N620-G779 PolarHBondContact ND2-O 2.85Å
780Y93Very high87.1Confident8 Ų864.6 Ų64.63%0.03136%0.363CS..  trans-87.1152177.9-73.2-78.7000111.9A539 E540 N543 P776 D778 S782 E783A539-Y780 HydrophobicContact CB-CE1 3.94Å; A539-Y780 WeakPolarHBondContact O-CE1 3.48Å; E540-Y780 HydrophobicContact CB-CD1 4.3Å; N543-Y780 HydrophobicContact CB-CD1 3.93Å; N543-Y780 HydrophobicContact CB-CD2 3.82Å; N543-Y780 HydrophobicContact CB-CE1 3.97Å; N543-Y780 HydrophobicContact CB-CE2 3.86Å; N543-Y780 HydrophobicContact CB-CG 3.84Å; N543-Y780 WeakPolarHBondContact ND2-CB 3.18Å; N543-Y780 WeakPolarHBondContact OD1-CD2 3.32Å; P776-Y780 HydrophobicContact CB-CE2 4.22Å; P776-Y780 WeakPolarHBondContact O-CE2 3.5Å; P776-Y780 PolarHBondContact O-OH 3.49Å; P776-Y780 VanDerWaalsContact O-OH 3.06Å; D778-Y780 VanDerWaalsContact C-N 3.35Å; Y780-S782 PolarHBondContact O-N 3.08Å; Y780-E783 PolarHBondContact O-N 2.88Å
781S90.2Very high87.2Confident27 Ų2758.9 Ų58.919%0.18934%0.336CS..Hα-helixtrans-67.4-26.2-171.662.90000113.4L484 Y488 E540 E783 M784 M785L484-S781 WeakPolarHBondContact CD1-OG 3.36Å; Y488-S781 WeakPolarHBondContact CE2-OG 3.23Å; Y488-S781 PolarHBondContact OH-OG 2.97Å; E540-S781 PolarHBondContact OE1-N 2.9Å; E540-S781 PolarHBondContact OE1-OG 2.87Å; E540-S781 PolarHBondContact OE2-N 3.42Å; E540-S781 PolarHBondContact OE2-OG 3.33Å; S781-E783 PolarHBondContact O-N 2.82Å; S781-M784 PolarHBondContact O-N 3.23Å; S781-M785 WeakPolarHBondContact O-CB 3.3Å; S781-M785 PolarHBondContact O-N 2.75Å
782S86.6Confident87.5Confident0 Ų055.3 Ų55.30%032%0.317CS..Hα-helixtrans-58.6-25.117641.40000115.2Y488 E540 N543 F544 Y780Y488-S782 PolarHBondContact OH-N 3.37Å; E540-S782 WeakPolarHBondContact OE1-CB 3.21Å; E540-S782 PolarHBondContact OE1-N 3.36Å; E540-S782 VanDerWaalsContact OE1-N 3.16Å; E540-S782 PolarHBondContact OE1-OG 3.2Å; N543-S782 PolarHBondContact ND2-OG 3.28Å; F544-S782 VanDerWaalsContact CE1-CB 3.42Å; Y780-S782 PolarHBondContact O-N 3.08Å
783E83.8Confident87.5Confident76 Ų7653.6 Ų53.636%0.35530%0.301SS..Hα-helixtrans-73.9-40.5178.9-62.4-179.1155.800112Y780 S781 R786Y780-E783 PolarHBondContact O-N 2.88Å; S781-E783 PolarHBondContact O-N 2.82Å; E783-R786 PolarHBondContact O-NH1 2.81Å
784M81Confident87.3Confident166 Ų16657.8 Ų57.882%0.81832%0.321SS*.Hα-helixtrans-96.2-30.1-172.3-57.8168.78000112.9S781S781-M784 PolarHBondContact O-N 3.23Å
785M83.8Confident87.2Confident35 Ų3555.4 Ų55.417%0.17231%0.307CS..  trans-73.3142.5-174-167.4-179.1-56.400112F482 Y488 S781 P789F482-M785 HydrophobicContact CE2-CE 3.53Å; F482-M785 HydrophobicContact CE2-SD 4.06Å; F482-M785 HydrophobicContact CZ-CE 3.63Å; F482-M785 HydrophobicContact CZ-SD 3.97Å; Y488-M785 HydrophobicContact CE1-CE 4.41Å; Y488-M785 HydrophobicContact CE1-SD 3.73Å; Y488-M785 HydrophobicContact CE2-CE 4.38Å; Y488-M785 VanDerWaalsContact OH-CE 3.26Å; Y488-M785 WeakPolarHBondContact OH-CE 3.44Å; Y488-M785 PolarHBondContact OH-SD 3.28Å; S781-M785 WeakPolarHBondContact O-CB 3.3Å; S781-M785 PolarHBondContact O-N 2.75Å; M785-P789 HydrophobicContact CE-CG 4.34Å; M785-P789 HydrophobicContact CG-CG 4.22Å; M785-P789 HydrophobicContact SD-CG 3.37Å; M785-P789 WeakPolarHBondContact SD-CG 3.36Å
786R82.2Confident86.7Confident146 Ų14653.7 Ų53.755%0.55130%0.298SS*.BIsolated β-bridgetrans-131.9142.4173.9-63.9-65.8-176.3-90.8-0.6110E783 G815E783-R786 PolarHBondContact O-NH1 2.81Å; R786-G815 CarbonylContact C-O 3.59Å; R786-G815 VanDerWaalsContact CA-O 3.32Å; R786-G815 WeakPolarHBondContact CA-O 3.29Å
787G81.1Confident86.2Confident27 Ų2756.3 Ų56.328%0.27831%0.312SS..SBendtrans68.6-171.8-176.900000113.3G815 W817G787-G815 PolarHBondContact N-O 2.78Å; G787-W817 PolarHBondContact O-NE1 3.33Å
788V84.8Confident85.9Confident31 Ų3151.8 Ų51.819%0.18829%0.293CS..  trans-95.1116.5173.7179.60000108.2L792 Q793 L807 M809 W817 L841V788-L792 HydrophobicContact CG1-CB 4.12Å; V788-L792 HydrophobicContact CG1-CD2 4.16Å; V788-L792 HydrophobicContact CG1-CG 4.12Å; V788-Q793 HydrophobicContact CG1-CB 4.17Å; V788-L807 HydrophobicContact CG1-CD2 3.91Å; V788-L807 HydrophobicContact CG2-CD2 4.41Å; V788-M809 HydrophobicContact CB-SD 4.4Å; V788-M809 HydrophobicContact CG2-CG 4.44Å; V788-M809 HydrophobicContact CG2-SD 3.93Å; V788-W817 HydrophobicContact CG2-CZ2 4.37Å; V788-L841 HydrophobicContact CG2-CD1 3.74Å; V788-L841 HydrophobicContact CG2-CD2 3.68Å; V788-L841 HydrophobicContact CG2-CG 4.37Å
789P85.8Confident85.6Confident34 Ų3447.1 Ų47.122%0.22127%0.268CS..  trans-59.7145.6174.1-24.134.3000111.8F482 M785 G791 L792 Q793F482-P789 HydrophobicContact CD2-CB 3.98Å; F482-P789 HydrophobicContact CD2-CG 4.06Å; F482-P789 HydrophobicContact CE2-CB 4.2Å; F482-P789 HydrophobicContact CE2-CG 3.76Å; F482-P789 HydrophobicContact CZ-CG 4.25Å; M785-P789 HydrophobicContact CE-CG 4.34Å; M785-P789 HydrophobicContact CG-CG 4.22Å; M785-P789 HydrophobicContact SD-CG 3.37Å; M785-P789 WeakPolarHBondContact SD-CG 3.36Å; P789-G791 VanDerWaalsContact C-N 3.29Å; P789-G791 PolarHBondContact O-N 3.12Å; P789-L792 HydrophobicContact CB-CB 4.34Å; P789-L792 WeakPolarHBondContact O-CA 3.35Å; P789-L792 WeakPolarHBondContact O-CB 3.09Å; P789-L792 PolarHBondContact O-N 2.89Å; P789-Q793 PolarHBondContact O-N 2.86Å
790A88.6Confident85.1Confident73 Ų7350.1 Ų50.160%0.60327%0.267SS*.Hα-helixtrans-53.3-44.5179.900000112.7L792 Q793 E794A790-L792 VanDerWaalsContact C-N 3.26Å; A790-L792 PolarHBondContact O-N 2.95Å; A790-Q793 WeakPolarHBondContact O-CB 3.43Å; A790-Q793 PolarHBondContact O-N 2.81Å; A790-Q793 VanDerWaalsContact O-N 3.12Å; A790-E794 WeakPolarHBondContact O-CG 3.49Å; A790-E794 PolarHBondContact O-N 3.38Å
791G90.4Very high84.1Confident12 Ų1257.7 Ų57.712%0.12430%0.303CS..Hα-helixtrans-66.3-23.317700000114.5F482 P789 Y795F482-G791 VanDerWaalsContact CB-C 3.45Å; P789-G791 VanDerWaalsContact C-N 3.29Å; P789-G791 PolarHBondContact O-N 3.12Å; G791-Y795 WeakPolarHBondContact O-CB 3.35Å; G791-Y795 PolarHBondContact O-N 3.08Å
792L90.7Very high83.3Confident0 Ų062.6 Ų62.60%032%0.323CS..Hα-helixtrans-78.3-37.7171.9-179.359.5000110.7F482 A485 Y488 V788 P789 A790 Y795 A796 W817F482-L792 HydrophobicContact CB-CB 4.33Å; F482-L792 HydrophobicContact CD1-CB 3.74Å; F482-L792 HydrophobicContact CD1-CD1 3.93Å; F482-L792 HydrophobicContact CD1-CD2 4.48Å; F482-L792 HydrophobicContact CD1-CG 4.25Å; F482-L792 HydrophobicContact CE1-CB 4.21Å; F482-L792 HydrophobicContact CE1-CD1 4.18Å; F482-L792 HydrophobicContact CE1-CD2 4.16Å; F482-L792 HydrophobicContact CE1-CG 4.42Å; F482-L792 HydrophobicContact CG-CB 4.05Å; A485-L792 HydrophobicContact CB-CD1 4.29Å; Y488-L792 HydrophobicContact CD1-CD2 4.05Å; Y488-L792 HydrophobicContact CG-CD2 4.23Å; V788-L792 HydrophobicContact CG1-CB 4.12Å; V788-L792 HydrophobicContact CG1-CD2 4.16Å; V788-L792 HydrophobicContact CG1-CG 4.12Å; P789-L792 HydrophobicContact CB-CB 4.34Å; P789-L792 WeakPolarHBondContact O-CA 3.35Å; P789-L792 WeakPolarHBondContact O-CB 3.09Å; P789-L792 PolarHBondContact O-N 2.89Å; A790-L792 VanDerWaalsContact C-N 3.26Å; A790-L792 PolarHBondContact O-N 2.95Å; L792-Y795 PolarHBondContact O-N 2.99Å; L792-A796 WeakPolarHBondContact O-CB 3.29Å; L792-A796 PolarHBondContact O-N 2.86Å; L792-W817 HydrophobicContact CD2-CH2 4.24Å; L792-W817 HydrophobicContact CD2-CZ2 4.08Å
793Q86.8Confident82.4Confident52 Ų5264.1 Ų64.124%0.24334%0.339CS..Hα-helixtrans-62-49.1173.2-177.265.560.700111V788 P789 A790 Y795 A796 D797V788-Q793 HydrophobicContact CG1-CB 4.17Å; P789-Q793 PolarHBondContact O-N 2.86Å; A790-Q793 WeakPolarHBondContact O-CB 3.43Å; A790-Q793 PolarHBondContact O-N 2.81Å; A790-Q793 VanDerWaalsContact O-N 3.12Å; Q793-Y795 VanDerWaalsContact C-N 3.29Å; Q793-Y795 PolarHBondContact O-N 3.36Å; Q793-A796 PolarHBondContact O-N 3.15Å; Q793-A796 VanDerWaalsContact O-N 3.14Å; Q793-D797 PolarHBondContact NE2-OD1 2.85Å; Q793-D797 PolarHBondContact O-N 2.9Å
794E89.4Confident81.8Confident126 Ų12661.2 Ų61.259%0.58933%0.326SS*.Hα-helixtrans-57.5-42.1176.3-72169.3-171.800111.9A790 D797 G798A790-E794 WeakPolarHBondContact O-CG 3.49Å; A790-E794 PolarHBondContact O-N 3.38Å; E794-D797 PolarHBondContact O-N 2.92Å; E794-G798 PolarHBondContact O-N 2.96Å
795Y89.4Confident81.2Confident29 Ų2953.5 Ų53.511%0.11429%0.29CS..Hα-helixtrans-62.7-46.3175.7-179.3-108.3000111.8A470 V471 L480 A485 G791 L792 Q793 D797 G798 L799A470-Y795 PolarHBondContact O-OH 3.22Å; V471-Y795 WeakPolarHBondContact CA-OH 3.29Å; L480-Y795 HydrophobicContact CD2-CD2 3.33Å; L480-Y795 HydrophobicContact CD2-CE2 3.69Å; L480-Y795 HydrophobicContact CD2-CG 4.23Å; A485-Y795 HydrophobicContact CB-CD1 3.59Å; A485-Y795 HydrophobicContact CB-CD2 4.35Å; A485-Y795 HydrophobicContact CB-CE1 3.82Å; A485-Y795 HydrophobicContact CB-CG 3.84Å; G791-Y795 WeakPolarHBondContact O-CB 3.35Å; G791-Y795 PolarHBondContact O-N 3.08Å; L792-Y795 PolarHBondContact O-N 2.99Å; Q793-Y795 VanDerWaalsContact C-N 3.29Å; Q793-Y795 PolarHBondContact O-N 3.36Å; Y795-D797 VanDerWaalsContact C-N 3.33Å; Y795-D797 PolarHBondContact O-N 2.88Å; Y795-G798 PolarHBondContact O-N 3.07Å; Y795-L799 HydrophobicContact CD1-CD1 4.09Å; Y795-L799 HydrophobicContact CD1-CG 4.5Å; Y795-L799 HydrophobicContact CE1-CD1 3.66Å; Y795-L799 HydrophobicContact CE1-CG 4.2Å; Y795-L799 PolarHBondContact O-N 2.75Å
796A82.2Confident80.7Confident1 Ų157 Ų571%0.00830%0.304CS..Hα-helixtrans-65.4-35.3177.700000112.8L792 Q793 G798 L799 F800 L807 L843L792-A796 WeakPolarHBondContact O-CB 3.29Å; L792-A796 PolarHBondContact O-N 2.86Å; Q793-A796 PolarHBondContact O-N 3.15Å; Q793-A796 VanDerWaalsContact O-N 3.14Å; A796-G798 VanDerWaalsContact C-N 3.31Å; A796-L799 WeakPolarHBondContact O-CB 3.17Å; A796-L799 PolarHBondContact O-N 3.1Å; A796-F800 PolarHBondContact O-N 2.82Å; A796-L807 HydrophobicContact CB-CB 3.74Å; A796-L807 HydrophobicContact CB-CD2 4.02Å; A796-L807 HydrophobicContact CB-CG 4.5Å; A796-L843 HydrophobicContact CB-CD1 4.32Å
797D80.6Confident80.3Confident68 Ų6850.9 Ų50.936%0.36428%0.282SS..Hα-helixtrans-65.4-37.4173.8-66.6-19.5000111Q793 E794 Y795 F800 Q801Q793-D797 PolarHBondContact NE2-OD1 2.85Å; Q793-D797 PolarHBondContact O-N 2.9Å; E794-D797 PolarHBondContact O-N 2.92Å; Y795-D797 VanDerWaalsContact C-N 3.33Å; Y795-D797 PolarHBondContact O-N 2.88Å; D797-F800 WeakPolarHBondContact O-CB 3.33Å; D797-F800 PolarHBondContact O-N 2.85Å; D797-Q801 WeakPolarHBondContact O-CG 3.35Å; D797-Q801 PolarHBondContact O-N 3.04Å
798G81.2Confident79.8Confident24 Ų2451.3 Ų51.325%0.24728%0.279CS..Hα-helixtrans-61.6-44.2171.300000112.7E794 Y795 A796 F800 Q801 Q802E794-G798 PolarHBondContact O-N 2.96Å; Y795-G798 PolarHBondContact O-N 3.07Å; A796-G798 VanDerWaalsContact C-N 3.31Å; G798-F800 VanDerWaalsContact C-N 3.29Å; G798-F800 PolarHBondContact O-N 3.15Å; G798-Q801 PolarHBondContact O-N 3.05Å; G798-Q802 WeakPolarHBondContact O-CG 3.25Å; G798-Q802 PolarHBondContact O-N 2.82Å; G798-Q802 VanDerWaalsContact O-N 3.09Å
799L79.8Confident79Confident4 Ų455 Ų552%0.02130%0.296CS..Hα-helixtrans-61.9-37.3172.9-66.7179.9000111.8A470 V471 T489 Y795 A796 Q802 G803 V804A470-L799 HydrophobicContact CB-CD2 3.78Å; V471-L799 HydrophobicContact CG2-CD1 4.08Å; V471-L799 HydrophobicContact CG2-CD2 4.3Å; T489-L799 HydrophobicContact CG2-CD1 4.14Å; Y795-L799 HydrophobicContact CD1-CD1 4.09Å; Y795-L799 HydrophobicContact CD1-CG 4.5Å; Y795-L799 HydrophobicContact CE1-CD1 3.66Å; Y795-L799 HydrophobicContact CE1-CG 4.2Å; Y795-L799 PolarHBondContact O-N 2.75Å; A796-L799 WeakPolarHBondContact O-CB 3.17Å; A796-L799 PolarHBondContact O-N 3.1Å; L799-Q802 PolarHBondContact O-N 2.77Å; L799-G803 PolarHBondContact O-N 2.96Å; L799-V804 HydrophobicContact CB-CG2 3.7Å; L799-V804 HydrophobicContact CD2-CG2 3.67Å; L799-V804 HydrophobicContact CG-CG2 4.21Å; L799-V804 VanDerWaalsContact O-CG2 3.29Å; L799-V804 WeakPolarHBondContact O-CG2 3.4Å; L799-V804 PolarHBondContact O-N 3.41Å
800F75.1Confident77.9Confident113 Ų11356.7 Ų56.750%0.49630%0.301SS..Hα-helixtrans-65.9-41.6175.9179.6-112.1000112.6A796 D797 G798 Q802 G803 G805 K806A796-F800 PolarHBondContact O-N 2.82Å; D797-F800 WeakPolarHBondContact O-CB 3.33Å; D797-F800 PolarHBondContact O-N 2.85Å; G798-F800 VanDerWaalsContact C-N 3.29Å; G798-F800 PolarHBondContact O-N 3.15Å; F800-Q802 VanDerWaalsContact C-N 3.27Å; F800-Q802 PolarHBondContact O-N 2.91Å; F800-G803 WeakPolarHBondContact O-CA 3.21Å; F800-G803 PolarHBondContact O-N 2.78Å; F800-G805 WeakPolarHBondContact CA-O 3.34Å; F800-G805 VanDerWaalsContact CB-O 3.29Å; F800-G805 WeakPolarHBondContact CB-O 3.38Å; F800-G805 PolarHBondContact N-O 3.01Å; F800-K806 HydrophobicContact CD2-CB 3.7Å; F800-K806 HydrophobicContact CD2-CD 4.26Å; F800-K806 HydrophobicContact CD2-CG 3.87Å; F800-K806 HydrophobicContact CE2-CB 4.12Å; F800-K806 HydrophobicContact CE2-CD 3.94Å; F800-K806 HydrophobicContact CE2-CG 4.08Å
801Q72.4Confident76.4Confident168 Ų16859.2 Ų59.279%0.78531%0.311SS*.Hα-helixtrans-63.5-33.1174.8-70.8172.920.100112.5D797 G798 G803D797-Q801 WeakPolarHBondContact O-CG 3.35Å; D797-Q801 PolarHBondContact O-N 3.04Å; G798-Q801 PolarHBondContact O-N 3.05Å; Q801-G803 PolarHBondContact O-N 3.34Å
802Q73.4Confident75Confident129 Ų12963 Ų6360%0.60333%0.332SS*.THydrogen-bonded Turntrans-75.2-7.7172.8-67.7174.31300113G798 L799 F800 V804G798-Q802 WeakPolarHBondContact O-CG 3.25Å; G798-Q802 PolarHBondContact O-N 2.82Å; G798-Q802 VanDerWaalsContact O-N 3.09Å; L799-Q802 PolarHBondContact O-N 2.77Å; F800-Q802 VanDerWaalsContact C-N 3.27Å; F800-Q802 PolarHBondContact O-N 2.91Å; Q802-V804 VanDerWaalsContact C-N 3.32Å; Q802-V804 HydrophobicContact CB-CG1 4.31Å; Q802-V804 HydrophobicContact CB-CG2 4.4Å; Q802-V804 PolarHBondContact O-N 2.78Å
803G67.5Low73.9Confident33 Ų3365 Ų6534%0.3435%0.345SS..THydrogen-bonded Turntrans78.49.918000000114.9L799 F800 Q801L799-G803 PolarHBondContact O-N 2.96Å; F800-G803 WeakPolarHBondContact O-CA 3.21Å; F800-G803 PolarHBondContact O-N 2.78Å; Q801-G803 PolarHBondContact O-N 3.34Å
804V71.7Confident73.1Confident14 Ų1465.9 Ų65.99%0.08536%0.358CS..SBendtrans-92.1-20.4-172.7-57.70000114.1D466 L467 A470 L799 Q802D466-V804 HydrophobicContact CB-CG1 4.04Å; L467-V804 HydrophobicContact CD1-CG2 4.45Å; A470-V804 HydrophobicContact CB-CG2 4.33Å; L799-V804 HydrophobicContact CB-CG2 3.7Å; L799-V804 HydrophobicContact CD2-CG2 3.67Å; L799-V804 HydrophobicContact CG-CG2 4.21Å; L799-V804 VanDerWaalsContact O-CG2 3.29Å; L799-V804 WeakPolarHBondContact O-CG2 3.4Å; L799-V804 PolarHBondContact O-N 3.41Å; Q802-V804 VanDerWaalsContact C-N 3.32Å; Q802-V804 HydrophobicContact CB-CG1 4.31Å; Q802-V804 HydrophobicContact CB-CG2 4.4Å; Q802-V804 PolarHBondContact O-N 2.78Å
805G68.7Low72.2Confident5 Ų560.4 Ų60.45%0.05233%0.334CS..  trans-177.3161.2176.800000113.7F800F800-G805 WeakPolarHBondContact CA-O 3.34Å; F800-G805 VanDerWaalsContact CB-O 3.29Å; F800-G805 WeakPolarHBondContact CB-O 3.38Å; F800-G805 PolarHBondContact N-O 3.01Å
806K73.6Confident71.8Confident108 Ų10860.1 Ų60.147%0.4734%0.337SS..EExtended strand (participates in β ladder)trans-127.9124.5177.4-175.3179.9178.3179.90110.3F800 V808 L843 M844F800-K806 HydrophobicContact CD2-CB 3.7Å; F800-K806 HydrophobicContact CD2-CD 4.26Å; F800-K806 HydrophobicContact CD2-CG 3.87Å; F800-K806 HydrophobicContact CE2-CB 4.12Å; F800-K806 HydrophobicContact CE2-CD 3.94Å; F800-K806 HydrophobicContact CE2-CG 4.08Å; K806-V808 HydrophobicContact CD-CG2 4.35Å; K806-V808 HydrophobicContact CG-CG2 4.25Å; K806-V808 PolarHBondContact O-N 3.3Å; K806-L843 CarbonylContact O-C 3.52Å; K806-L843 WeakPolarHBondContact O-CA 3.37Å; K806-M844 PolarHBondContact N-O 2.96Å; K806-M844 PolarHBondContact O-N 2.9Å; K806-M844 VanDerWaalsContact O-O 3.13Å
807L73.3Confident72Confident18 Ų1860.5 Ų60.59%0.09434%0.338CS..EExtended strand (participates in β ladder)trans-70.3126.1169.8-178.361.1000110.3M492 V788 A796 L843M492-L807 HydrophobicContact CE-CD1 4.24Å; M492-L807 HydrophobicContact SD-CD1 3.51Å; M492-L807 VanDerWaalsContact SD-CD1 3.51Å; V788-L807 HydrophobicContact CG1-CD2 3.91Å; V788-L807 HydrophobicContact CG2-CD2 4.41Å; A796-L807 HydrophobicContact CB-CB 3.74Å; A796-L807 HydrophobicContact CB-CD2 4.02Å; A796-L807 HydrophobicContact CB-CG 4.5Å; L807-L843 HydrophobicContact CB-CD1 3.86Å; L807-L843 HydrophobicContact CD1-CD1 4.14Å
808V69.4Low72.2Confident35 Ų3557.8 Ų57.821%0.21233%0.325CS..EExtended strand (participates in β ladder)trans-123.9112.2176.1-177.70000109K806 Y842 M844K806-V808 HydrophobicContact CD-CG2 4.35Å; K806-V808 HydrophobicContact CG-CG2 4.25Å; K806-V808 PolarHBondContact O-N 3.3Å; V808-Y842 CarbonylContact C-O 3.53Å; V808-Y842 WeakPolarHBondContact CA-O 3.34Å; V808-Y842 PolarHBondContact N-O 2.97Å; V808-Y842 PolarHBondContact O-N 2.84Å; V808-M844 HydrophobicContact CB-CE 4.23Å; V808-M844 HydrophobicContact CB-CG 4.14Å; V808-M844 HydrophobicContact CB-SD 4.37Å; V808-M844 HydrophobicContact CG1-CE 3.88Å; V808-M844 HydrophobicContact CG1-SD 4.48Å; V808-M844 HydrophobicContact CG2-CB 3.83Å; V808-M844 HydrophobicContact CG2-CE 4.33Å; V808-M844 HydrophobicContact CG2-CG 3.78Å; V808-M844 HydrophobicContact CG2-SD 3.86Å
809M68.9Low72.3Confident110 Ų11058.2 Ų58.254%0.54232%0.322SS..  trans-86.1128.3175.9-60.8-167.3-73.900110.3V788 L841V788-M809 HydrophobicContact CB-SD 4.4Å; V788-M809 HydrophobicContact CG2-CG 4.44Å; V788-M809 HydrophobicContact CG2-SD 3.93Å; M809-L841 HydrophobicContact CB-CD2 4.06Å; M809-L841 HydrophobicContact CG-CD2 3.65Å; M809-L841 HydrophobicContact SD-CD2 4.35Å
810Q63.5Low72.6Confident69 Ų6959.4 Ų59.432%0.32233%0.327SS..  trans-74.7130.8173.6-69.8-68.2-4.600110.1T812 S813 S840 Y842Q810-T812 PolarHBondContact O-N 3.04Å; Q810-S813 WeakPolarHBondContact O-CB 3.38Å; Q810-S813 PolarHBondContact O-N 2.73Å; Q810-S840 WeakPolarHBondContact CG-O 3.36Å; Q810-Y842 HydrophobicContact CG-CD2 4Å; Q810-Y842 HydrophobicContact CG-CE2 4.06Å
811P56.5Low73.2Confident126 Ų12654.3 Ų54.382%0.81831%0.305SS*.THydrogen-bonded Turntrans-59.9-28.8-178-24.533.2000114.1S813P811-S813 PolarHBondContact O-N 2.82Å
812T60.5Low73.6Confident92 Ų9249.2 Ų49.256%0.56429%0.286SS*.THydrogen-bonded Turntrans-81.18.1179.549.90000113.1Q810 S814 V839Q810-T812 PolarHBondContact O-N 3.04Å; T812-S814 PolarHBondContact O-N 2.85Å; T812-V839 VanDerWaalsContact C-CG2 3.48Å; T812-V839 WeakPolarHBondContact O-CG2 3.29Å
813S66.8Low73.3Confident41 Ų4148 Ų4829%0.28728%0.283SS..  trans-61.6123.8-169.4-1780000115.5Q810 P811 G815 V839Q810-S813 WeakPolarHBondContact O-CB 3.38Å; Q810-S813 PolarHBondContact O-N 2.73Å; P811-S813 PolarHBondContact O-N 2.82Å; S813-G815 PolarHBondContact O-N 3.32Å; S813-G815 PolarHBondContact OG-N 2.88Å; S813-G815 VanDerWaalsContact OG-N 3.14Å; S813-V839 WeakPolarHBondContact OG-CG1 3.44Å
814S70.6Confident73Confident71 Ų7149.8 Ų49.850%0.49729%0.285SS..  trans-69.9-14.8169.969.10000112.2T812 S816 V819T812-S814 PolarHBondContact O-N 2.85Å; S814-S816 PolarHBondContact O-N 3.37Å; S814-S816 PolarHBondContact OG-N 2.92Å; S814-V819 WeakPolarHBondContact OG-CG2 3.47Å
815G71.8Confident71.8Confident10 Ų1051.9 Ų51.910%0.10330%0.3CS..  trans70.9-0.7-176.700000114.5R786 G787 S813R786-G815 CarbonylContact C-O 3.59Å; R786-G815 VanDerWaalsContact CA-O 3.32Å; R786-G815 WeakPolarHBondContact CA-O 3.29Å; G787-G815 PolarHBondContact N-O 2.78Å; S813-G815 PolarHBondContact O-N 3.32Å; S813-G815 PolarHBondContact OG-N 2.88Å; S813-G815 VanDerWaalsContact OG-N 3.14Å
816S81.1Confident70.4Confident23 Ų2357.1 Ų57.116%0.16133%0.325CS..BIsolated β-bridgetrans-80.8135.3175.7177.80000111.1S814 S818 V819S814-S816 PolarHBondContact O-N 3.37Å; S814-S816 PolarHBondContact OG-N 2.92Å; S816-S818 PolarHBondContact OG-N 3.11Å; S816-S818 PolarHBondContact OG-OG 3.14Å; S816-V819 WeakPolarHBondContact O-CG2 3.36Å
817W84.9Confident68.5Low9 Ų955.5 Ų55.53%0.03433%0.332CS..SBendtrans-84.1-16.2176.3-70.594.5000113.2Y488 Y491 M492 F544 G787 V788 L792 L841Y488-W817 AromaticContact CD1-CD2 3.77Å; Y488-W817 HydrophobicContact CD1-CD2 3.77Å; Y488-W817 AromaticContact CD1-CE2 3.69Å; Y488-W817 AromaticContact CD1-CE3 3.79Å; Y488-W817 HydrophobicContact CD1-CE3 3.79Å; Y488-W817 AromaticContact CD1-CH2 3.69Å; Y488-W817 HydrophobicContact CD1-CH2 3.69Å; Y488-W817 AromaticContact CD1-CZ2 3.65Å; Y488-W817 HydrophobicContact CD1-CZ2 3.65Å; Y488-W817 AromaticContact CD1-CZ3 3.76Å; Y488-W817 HydrophobicContact CD1-CZ3 3.76Å; Y488-W817 AromaticContact CE1-CD1 3.97Å; Y488-W817 AromaticContact CE1-CD2 3.49Å; Y488-W817 HydrophobicContact CE1-CD2 3.49Å; Y488-W817 VanDerWaalsContact CE1-CD2 3.49Å; Y488-W817 AromaticContact CE1-CE2 3.52Å; Y488-W817 AromaticContact CE1-CE3 3.93Å; Y488-W817 HydrophobicContact CE1-CE3 3.93Å; Y488-W817 AromaticContact CE1-CG 3.8Å; Y488-W817 HydrophobicContact CE1-CG 3.8Å; Y488-W817 HydrophobicContact CE1-CH2 4.37Å; Y488-W817 AromaticContact CE1-CZ2 3.97Å; Y488-W817 HydrophobicContact CE1-CZ2 3.97Å; Y488-W817 HydrophobicContact CE1-CZ3 4.35Å; Y488-W817 AromaticContact CE1-NE1 3.8Å; Y491-W817 AromaticContact CD1-CE3 3.88Å; Y491-W817 HydrophobicContact CD1-CE3 3.88Å; Y491-W817 HydrophobicContact CD1-CZ3 4.11Å; Y491-W817 AromaticContact CE1-CE3 3.94Å; Y491-W817 HydrophobicContact CE1-CE3 3.94Å; Y491-W817 HydrophobicContact CE1-CZ3 4.48Å; Y491-W817 PolarHBondContact OH-O 3.02Å; M492-W817 HydrophobicContact CG-CH2 3.93Å; M492-W817 HydrophobicContact CG-CZ3 3.74Å; M492-W817 HydrophobicContact SD-CH2 3.75Å; M492-W817 HydrophobicContact SD-CZ3 4.2Å; F544-W817 HydrophobicContact CE1-CB 4.42Å; G787-W817 PolarHBondContact O-NE1 3.33Å; V788-W817 HydrophobicContact CG2-CZ2 4.37Å; L792-W817 HydrophobicContact CD2-CH2 4.24Å; L792-W817 HydrophobicContact CD2-CZ2 4.08Å; W817-L841 HydrophobicContact CD2-CD1 4.43Å; W817-L841 HydrophobicContact CH2-CB 4.32Å; W817-L841 HydrophobicContact CH2-CD1 3.55Å; W817-L841 HydrophobicContact CZ2-CD1 3.42Å; W817-L841 VanDerWaalsContact CZ2-CD1 3.42Å; W817-L841 HydrophobicContact CZ3-CD1 4.12Å
818S86.4Confident66.6Low12 Ų1258.6 Ų58.68%0.08436%0.36CS..  trans-99.29.4-17660.90000114S816 H820 F821 N824S816-S818 PolarHBondContact OG-N 3.11Å; S816-S818 PolarHBondContact OG-OG 3.14Å; S818-H820 PolarHBondContact O-N 2.72Å; S818-F821 VanDerWaalsContact CB-CD2 3.45Å; S818-F821 VanDerWaalsContact O-CB 3.3Å; S818-F821 WeakPolarHBondContact O-CB 3.24Å; S818-F821 PolarHBondContact O-N 3.45Å; S818-N824 PolarHBondContact O-ND2 3.05Å; S818-N824 PolarHBondContact OG-ND2 3.44Å
819V83Confident64.8Low32 Ų3261.1 Ų61.119%0.19439%0.385CS..THydrogen-bonded Turntrans-57.4-37.5-175.5-176.20000112.1S814 S816 F821 V838S814-V819 WeakPolarHBondContact OG-CG2 3.47Å; S816-V819 WeakPolarHBondContact O-CG2 3.36Å; V819-F821 VanDerWaalsContact C-N 3.32Å; V819-V838 HydrophobicContact CG1-CB 4.36Å; V819-V838 HydrophobicContact CG1-CG1 3.67Å; V819-V838 HydrophobicContact CG1-CG2 4.19Å
820H85Confident62.8Low29 Ų2959 Ų5913%0.13439%0.391CS..THydrogen-bonded Turntrans-88.95.7180-63.4-72.3000113.8R495 D548 V549 S818 V838 V839 S840R495-H820 PolarHBondContact NE-CD2 3.32Å; R495-H820 PolarHBondContact NH2-CE1 3.1Å; R495-H820 PolarHBondContact NH2-ND1 3.28Å; R495-H820 PolarHBondContact NH2-NE2 3.03Å; D548-H820 WeakPolarHBondContact CA-O 3.37Å; D548-H820 VanDerWaalsContact OD2-CB 3.26Å; D548-H820 WeakPolarHBondContact OD2-CB 3.47Å; D548-H820 IonicContact OD2-CG 2.76Å; V549-H820 WeakPolarHBondContact CG2-O 3.48Å; V549-H820 PolarHBondContact N-O 2.83Å; S818-H820 PolarHBondContact O-N 2.72Å; H820-V838 WeakPolarHBondContact CE1-CG1 3.3Å; H820-V839 PolarHBondContact NE2-O 3.3Å; H820-S840 PolarHBondContact NE2-OG 3.16Å; H820-S840 VanDerWaalsContact NE2-OG 3.12Å
821F88.5Confident60.9Low7 Ų759.2 Ų59.23%0.03141%0.412CS..BIsolated β-bridgetrans-78.2147.4-176.4-69.43.2000111.9F544 L547 D548 S818 V819 N823 N824 S825F544-F821 AromaticContact CD1-CE1 3.95Å; F544-F821 HydrophobicContact CD1-CE1 3.95Å; F544-F821 AromaticContact CD1-CZ 3.59Å; F544-F821 HydrophobicContact CD1-CZ 3.59Å; F544-F821 HydrophobicContact CE1-CE1 4.49Å; F544-F821 AromaticContact CE1-CZ 3.91Å; F544-F821 HydrophobicContact CE1-CZ 3.91Å; L547-F821 HydrophobicContact CB-CB 4.14Å; L547-F821 HydrophobicContact CB-CD1 3.82Å; L547-F821 HydrophobicContact CB-CD2 3.72Å; L547-F821 HydrophobicContact CB-CE1 4.09Å; L547-F821 HydrophobicContact CB-CE2 4Å; L547-F821 HydrophobicContact CB-CG 3.64Å; L547-F821 HydrophobicContact CB-CZ 4.17Å; L547-F821 HydrophobicContact CD1-CD2 3.63Å; L547-F821 HydrophobicContact CD1-CE2 3.66Å; L547-F821 HydrophobicContact CD1-CG 4.39Å; L547-F821 HydrophobicContact CD1-CZ 4.43Å; L547-F821 HydrophobicContact CG-CD2 4.33Å; L547-F821 CarbonylContact O-C 3.48Å; L547-F821 WeakPolarHBondContact O-CA 2.95Å; D548-F821 HydrophobicContact CB-CD1 4.34Å; D548-F821 HydrophobicContact CB-CE1 4.45Å; S818-F821 VanDerWaalsContact CB-CD2 3.45Å; S818-F821 VanDerWaalsContact O-CB 3.3Å; S818-F821 WeakPolarHBondContact O-CB 3.24Å; S818-F821 PolarHBondContact O-N 3.45Å; V819-F821 VanDerWaalsContact C-N 3.32Å; F821-N823 PolarHBondContact O-N 3.1Å; F821-N824 PolarHBondContact O-N 2.86Å; F821-S825 PolarHBondContact O-N 3.23Å
822V80.6Confident59.4Low61 Ų6156.3 Ų56.337%0.3741%0.405SS..Hα-helixtrans-49.5-35.1179.5177.50000112.9L547 V549 N824 S825 I826L547-V822 WeakPolarHBondContact O-CG2 3.32Å; L547-V822 PolarHBondContact O-N 3.26Å; V549-V822 HydrophobicContact CG2-CB 4.35Å; V549-V822 HydrophobicContact CG2-CG2 3.76Å; V822-N824 PolarHBondContact O-N 2.91Å; V822-S825 PolarHBondContact O-OG 3.32Å; V822-I826 HydrophobicContact CG1-CD1 4.49Å; V822-I826 WeakPolarHBondContact O-CG1 3.23Å
823N67.8Low57.8Low104 Ų10458 Ų5856%0.55642%0.42SS*.Hα-helixtrans-71.4-29.8-178.4-66.6-16.9000113.4F821F821-N823 PolarHBondContact O-N 3.1Å
824N60.2Low55.8Low70 Ų7062.9 Ų62.937%0.37444%0.443SS..Hα-helixtrans-87.8-26.4-179.6-76-21.3000112.7S818 F821 V822 I826 A827 A828S818-N824 PolarHBondContact O-ND2 3.05Å; S818-N824 PolarHBondContact OG-ND2 3.44Å; F821-N824 PolarHBondContact O-N 2.86Å; V822-N824 PolarHBondContact O-N 2.91Å; N824-I826 VanDerWaalsContact C-N 3.27Å; N824-I826 PolarHBondContact O-N 3.11Å; N824-A827 PolarHBondContact O-N 2.85Å; N824-A828 PolarHBondContact O-N 3.05Å
825S47.4Very low53.7Low57 Ų5764.6 Ų64.640%0.39946%0.456SS..Hα-helixtrans-67.2-28.9175.259.40000112.7F821 V822F821-S825 PolarHBondContact O-N 3.23Å; V822-S825 PolarHBondContact O-OG 3.32Å
826I38.8Very low51.6Low115 Ų11572 Ų7259%0.5949%0.488SS*.Hα-helixtrans-74.5-37.9175.7-60.4169.5000111.4V822 N824 A828 A829V822-I826 HydrophobicContact CG1-CD1 4.49Å; V822-I826 WeakPolarHBondContact O-CG1 3.23Å; N824-I826 VanDerWaalsContact C-N 3.27Å; N824-I826 PolarHBondContact O-N 3.11Å; I826-A828 VanDerWaalsContact C-N 3.3Å; I826-A828 PolarHBondContact O-N 3.3Å; I826-A829 WeakPolarHBondContact O-CB 3.19Å; I826-A829 PolarHBondContact O-N 2.8Å; I826-A829 VanDerWaalsContact O-N 3.14Å
827A33.4Very low49Very low74 Ų7475.7 Ų75.761%0.61251%0.509SS*.Hα-helixtrans-63.8-35176.800000112.4N824 A829 G830N824-A827 PolarHBondContact O-N 2.85Å; A827-A829 VanDerWaalsContact C-N 3.28Å; A827-A829 PolarHBondContact O-N 2.93Å; A827-G830 PolarHBondContact O-N 2.9Å
828A33Very low46.3Very low83 Ų8379.4 Ų79.469%0.68653%0.533SS*.Hα-helixtrans-69-21.9175.200000113.8N824 I826 G830N824-A828 PolarHBondContact O-N 3.05Å; I826-A828 VanDerWaalsContact C-N 3.3Å; I826-A828 PolarHBondContact O-N 3.3Å; A828-G830 VanDerWaalsContact C-N 3.32Å
829A32Very low43.7Very low89 Ų8979.2 Ų79.274%0.73653%0.531SS*.Hα-helixtrans-77.7-19.3175.800000112.7I826 A827 G831I826-A829 WeakPolarHBondContact O-CB 3.19Å; I826-A829 PolarHBondContact O-N 2.8Å; I826-A829 VanDerWaalsContact O-N 3.14Å; A827-A829 VanDerWaalsContact C-N 3.28Å; A827-A829 PolarHBondContact O-N 2.93Å; A829-G831 PolarHBondContact O-N 2.78Å
830G26.2Very low41.6Very low64 Ų6478.2 Ų78.266%0.6653%0.526SS*.SBendtrans-95.354.8-175.900000114.7A827 A828A827-G830 PolarHBondContact O-N 2.9Å; A828-G830 VanDerWaalsContact C-N 3.32Å
831G23.7Very low39.4Very low75 Ų7577.6 Ų77.677%0.77352%0.523SS*.SBendtrans89.1108.3162.300000116.5A829A829-G831 PolarHBondContact O-N 2.78Å
832G25Very low37.5Very low65 Ų6579.2 Ų79.267%0.6753%0.529SS*.  trans147.6107168.700000110.7D834G832-D834 PolarHBondContact O-N 2.93Å
833S27.4Very low35.7Very low126 Ų12676.3 Ų76.388%0.88151%0.512SS*.  trans-73.626.6-175.756.40000115
834D25.5Very low34.5Very low144 Ų14474.7 Ų74.777%0.7750%0.502SS*.  trans-102.299.9172-73.8-22.7000107.3G832 E836G832-D834 PolarHBondContact O-N 2.93Å; D834-E836 PolarHBondContact O-N 2.88Å
835S27Very low34Very low108 Ų10871.9 Ų71.976%0.75549%0.486SS*.  trans-61.690.1166.767.40000107.5T837S835-T837 PolarHBondContact O-N 2.79Å
836E27Very low33.6Very low165 Ų16575.5 Ų75.577%0.77149%0.491SS*.  trans-50.3111.1162-79-168.716000105.5D834 V838D834-E836 PolarHBondContact O-N 2.88Å; E836-V838 WeakPolarHBondContact O-CG2 3.07Å; E836-V838 PolarHBondContact O-N 2.61Å
837T26.2Very low33.7Very low101 Ų10171.4 Ų71.462%0.6247%0.469SS*.  trans-60.1106.1-178.4-51.60000105.2S835 V839S835-T837 PolarHBondContact O-N 2.79Å; T837-V839 WeakPolarHBondContact O-CG2 3.33Å; T837-V839 PolarHBondContact O-N 2.82Å
838V29.3Very low33.6Very low86 Ų8671 Ų7152%0.52146%0.459SS..  trans-70.2127.9-171170.10000109V819 H820 E836V819-V838 HydrophobicContact CG1-CB 4.36Å; V819-V838 HydrophobicContact CG1-CG1 3.67Å; V819-V838 HydrophobicContact CG1-CG2 4.19Å; H820-V838 WeakPolarHBondContact CE1-CG1 3.3Å; E836-V838 WeakPolarHBondContact O-CG2 3.07Å; E836-V838 PolarHBondContact O-N 2.61Å
839V30.7Very low33.4Very low9 Ų971.3 Ų71.36%0.05546%0.456CS..  trans-101.7141.1-165.4151.20000110T812 S813 H820 T837T812-V839 VanDerWaalsContact C-CG2 3.48Å; T812-V839 WeakPolarHBondContact O-CG2 3.29Å; S813-V839 WeakPolarHBondContact OG-CG1 3.44Å; H820-V839 PolarHBondContact NE2-O 3.3Å; T837-V839 WeakPolarHBondContact O-CG2 3.33Å; T837-V839 PolarHBondContact O-N 2.82Å
840S38.7Very low33.3Very low11 Ų1175.3 Ų75.38%0.07748%0.478CS..  trans-131.1121.9171.1-690000109.6Q810 H820 Y842Q810-S840 WeakPolarHBondContact CG-O 3.36Å; H820-S840 PolarHBondContact NE2-OG 3.16Å; H820-S840 VanDerWaalsContact NE2-OG 3.12Å; S840-Y842 VanDerWaalsContact CB-CE1 3.45Å; S840-Y842 WeakPolarHBondContact CB-OH 3.3Å; S840-Y842 WeakPolarHBondContact O-CD2 3.12Å; S840-Y842 PolarHBondContact OG-OH 3.14Å
841L39.7Very low33.6Very low16 Ų1675.9 Ų75.98%0.08447%0.469CS..  trans-69.7125.2157.7-74162.6000106.9M492 V788 M809 W817M492-L841 HydrophobicContact SD-CB 4.4Å; V788-L841 HydrophobicContact CG2-CD1 3.74Å; V788-L841 HydrophobicContact CG2-CD2 3.68Å; V788-L841 HydrophobicContact CG2-CG 4.37Å; M809-L841 HydrophobicContact CB-CD2 4.06Å; M809-L841 HydrophobicContact CG-CD2 3.65Å; M809-L841 HydrophobicContact SD-CD2 4.35Å; W817-L841 HydrophobicContact CD2-CD1 4.43Å; W817-L841 HydrophobicContact CH2-CB 4.32Å; W817-L841 HydrophobicContact CH2-CD1 3.55Å; W817-L841 HydrophobicContact CZ2-CD1 3.42Å; W817-L841 VanDerWaalsContact CZ2-CD1 3.42Å; W817-L841 HydrophobicContact CZ3-CD1 4.12Å
842Y47.3Very low34.1Very low40 Ų4075.9 Ų75.916%0.15745%0.453CS..EExtended strand (participates in β ladder)trans-117.3131.6177.8-61.9-70.9000109.4Y496 S499 V808 Q810 S840 M844Y496-Y842 HydrophobicContact CD2-CD1 4.19Å; Y496-Y842 HydrophobicContact CD2-CG 4.44Å; S499-Y842 VanDerWaalsContact CB-CE1 3.48Å; S499-Y842 WeakPolarHBondContact CB-OH 3.44Å; S499-Y842 VanDerWaalsContact OG-CE1 3.29Å; S499-Y842 WeakPolarHBondContact OG-CE1 3.28Å; V808-Y842 CarbonylContact C-O 3.53Å; V808-Y842 WeakPolarHBondContact CA-O 3.34Å; V808-Y842 PolarHBondContact N-O 2.97Å; V808-Y842 PolarHBondContact O-N 2.84Å; Q810-Y842 HydrophobicContact CG-CD2 4Å; Q810-Y842 HydrophobicContact CG-CE2 4.06Å; S840-Y842 VanDerWaalsContact CB-CE1 3.45Å; S840-Y842 WeakPolarHBondContact CB-OH 3.3Å; S840-Y842 WeakPolarHBondContact O-CD2 3.12Å; S840-Y842 PolarHBondContact OG-OH 3.14Å; Y842-M844 PolarHBondContact O-N 3.1Å
843L44.6Very low34.6Very low0 Ų076.5 Ų76.50%044%0.441CS..EExtended strand (participates in β ladder)trans-79.6107.3153-149.491.7000105.7L467 T489 M492 A796 K806 L807 F845L467-L843 HydrophobicContact CD1-CD2 4.42Å; T489-L843 HydrophobicContact CG2-CD2 4.25Å; M492-L843 HydrophobicContact CB-CB 4.17Å; M492-L843 HydrophobicContact CE-CD1 4.21Å; A796-L843 HydrophobicContact CB-CD1 4.32Å; K806-L843 CarbonylContact O-C 3.52Å; K806-L843 WeakPolarHBondContact O-CA 3.37Å; L807-L843 HydrophobicContact CB-CD1 3.86Å; L807-L843 HydrophobicContact CD1-CD1 4.14Å; L843-F845 HydrophobicContact CD2-CD1 4.21Å; L843-F845 HydrophobicContact CD2-CE1 3.91Å; L843-F845 PolarHBondContact O-N 2.92Å
844M41.9Very low35.1Very low71 Ų7173.6 Ų73.635%0.3542%0.416SS..EExtended strand (participates in β ladder)trans-76.2122.7169.2-78.7-170.4-163.900108.2Y496 K806 V808 Y842Y496-M844 HydrophobicContact CE2-CG 4.08Å; K806-M844 PolarHBondContact N-O 2.96Å; K806-M844 PolarHBondContact O-N 2.9Å; K806-M844 VanDerWaalsContact O-O 3.13Å; V808-M844 HydrophobicContact CB-CE 4.23Å; V808-M844 HydrophobicContact CB-CG 4.14Å; V808-M844 HydrophobicContact CB-SD 4.37Å; V808-M844 HydrophobicContact CG1-CE 3.88Å; V808-M844 HydrophobicContact CG1-SD 4.48Å; V808-M844 HydrophobicContact CG2-CB 3.83Å; V808-M844 HydrophobicContact CG2-CE 4.33Å; V808-M844 HydrophobicContact CG2-CG 3.78Å; V808-M844 HydrophobicContact CG2-SD 3.86Å; Y842-M844 PolarHBondContact O-N 3.1Å
845F49Very low35.7Very low11 Ų1169.2 Ų69.25%0.04839%0.393CS..  trans-92165.7174.1-47.2-83.9000112.4L467 C493 Y496 L843 F847L467-F845 HydrophobicContact CD1-CE1 4.11Å; L467-F845 HydrophobicContact CD2-CD1 4.08Å; L467-F845 HydrophobicContact CD2-CE1 3.32Å; L467-F845 HydrophobicContact CD2-CZ 4.01Å; L467-F845 HydrophobicContact CG-CE1 4.31Å; C493-F845 HydrophobicContact CB-CE1 4.32Å; C493-F845 HydrophobicContact CB-CE2 4.25Å; C493-F845 HydrophobicContact CB-CZ 3.45Å; C493-F845 VanDerWaalsContact CB-CZ 3.45Å; C493-F845 VanDerWaalsContact SG-CE1 3.51Å; C493-F845 WeakPolarHBondContact SG-CZ 3.26Å; Y496-F845 AromaticContact CD1-CD2 3.53Å; Y496-F845 HydrophobicContact CD1-CD2 3.53Å; Y496-F845 AromaticContact CD1-CE2 3.65Å; Y496-F845 HydrophobicContact CD1-CE2 3.65Å; Y496-F845 AromaticContact CE1-CD2 3.81Å; Y496-F845 HydrophobicContact CE1-CD2 3.81Å; Y496-F845 HydrophobicContact CE1-CE2 4.37Å; Y496-F845 HydrophobicContact CG-CD2 4.16Å; Y496-F845 HydrophobicContact CG-CE2 4.12Å; L843-F845 HydrophobicContact CD2-CD1 4.21Å; L843-F845 HydrophobicContact CD2-CE1 3.91Å; L843-F845 PolarHBondContact O-N 2.92Å; F845-F847 HydrophobicContact CB-CB 4.03Å; F845-F847 HydrophobicContact CB-CD2 3.11Å; F845-F847 HydrophobicContact CB-CE2 3.76Å; F845-F847 HydrophobicContact CB-CG 3.93Å; F845-F847 HydrophobicContact CD1-CD2 4.2Å; F845-F847 AromaticContact CD1-CE2 3.96Å; F845-F847 HydrophobicContact CD1-CE2 3.96Å; F845-F847 AromaticContact CD2-CD2 3.93Å; F845-F847 HydrophobicContact CD2-CD2 3.93Å; F845-F847 HydrophobicContact CD2-CE2 4.13Å; F845-F847 HydrophobicContact CD2-CG 4.4Å; F845-F847 HydrophobicContact CE1-CE2 4.5Å; F845-F847 AromaticContact CG-CD2 3.54Å; F845-F847 HydrophobicContact CG-CD2 3.54Å; F845-F847 AromaticContact CG-CE2 3.72Å; F845-F847 HydrophobicContact CG-CE2 3.72Å; F845-F847 HydrophobicContact CG-CG 4.39Å; F845-F847 PolarHBondContact O-N 2.87Å
846R39.3Very low36.2Very low133 Ų13366.6 Ų66.650%0.50237%0.369SS..G310 helixtrans-56.2-12.7161.6-90.8-170.6176.9-164.52.1114.3E344 V848E344-R846 IonicContact OE1-NH1 3.74Å; E344-R846 PolarHBondContact OE1-NH1 3.26Å; R846-V848 PolarHBondContact O-N 2.85Å
847F40.7Very low36.9Very low28 Ų2859.6 Ų59.612%0.12334%0.341CS..G310 helixtrans-51.2-25.8179.2-75.8-117.2000113.7A460 A463 A464 T505 F845A460-F847 HydrophobicContact CB-CD1 3.65Å; A460-F847 HydrophobicContact CB-CE1 4.12Å; A460-F847 HydrophobicContact CB-CG 4.22Å; A460-F847 WeakPolarHBondContact O-CE1 3.37Å; A463-F847 HydrophobicContact CB-CD2 4.27Å; A463-F847 HydrophobicContact CB-CE2 4.16Å; A464-F847 HydrophobicContact CB-CE1 4.25Å; A464-F847 HydrophobicContact CB-CE2 4.5Å; A464-F847 HydrophobicContact CB-CZ 3.62Å; T505-F847 HydrophobicContact CG2-CE1 4.08Å; F845-F847 HydrophobicContact CB-CB 4.03Å; F845-F847 HydrophobicContact CB-CD2 3.11Å; F845-F847 HydrophobicContact CB-CE2 3.76Å; F845-F847 HydrophobicContact CB-CG 3.93Å; F845-F847 HydrophobicContact CD1-CD2 4.2Å; F845-F847 AromaticContact CD1-CE2 3.96Å; F845-F847 HydrophobicContact CD1-CE2 3.96Å; F845-F847 AromaticContact CD2-CD2 3.93Å; F845-F847 HydrophobicContact CD2-CD2 3.93Å; F845-F847 HydrophobicContact CD2-CE2 4.13Å; F845-F847 HydrophobicContact CD2-CG 4.4Å; F845-F847 HydrophobicContact CE1-CE2 4.5Å; F845-F847 AromaticContact CG-CD2 3.54Å; F845-F847 HydrophobicContact CG-CD2 3.54Å; F845-F847 AromaticContact CG-CE2 3.72Å; F845-F847 HydrophobicContact CG-CE2 3.72Å; F845-F847 HydrophobicContact CG-CG 4.39Å; F845-F847 PolarHBondContact O-N 2.87Å
848V32.4Very low37.7Very low66 Ų6656.4 Ų56.440%0.432%0.319SS..G310 helixtrans-149.140.1-172.7-158.70000111.7Y496 R846 S850Y496-V848 HydrophobicContact CE1-CG2 4.32Å; Y496-V848 WeakPolarHBondContact OH-CB 3.41Å; Y496-V848 VanDerWaalsContact OH-CG2 3.24Å; Y496-V848 WeakPolarHBondContact OH-CG2 3.4Å; R846-V848 PolarHBondContact O-N 2.85Å; V848-S850 VanDerWaalsContact C-N 3.31Å; V848-S850 PolarHBondContact O-N 3.11Å
849S29Very low38.4Very low90 Ų9053.9 Ų53.963%0.62930%0.302SS*.  trans-77.990.7166.664.80000109.5
850S27.9Very low39.1Very low172 Ų17258 Ų58100%1.20333%0.325SS*.  trans41.40157.567.30000119.4V848V848-S850 VanDerWaalsContact C-N 3.31Å; V848-S850 PolarHBondContact O-N 3.11Å

Retrieved 850 of 850 residues in 651.5 ms (Link to these results)

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