A0A3Q0KI87_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KI87, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 762 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
1M56.8Low69.8Low171 Ų171134.7 Ų134.784%0.84262%0.615SS**  0-83.10-74.6-171.97100111.6R3 D4 D5M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.1Å; M1-D4 PolarHBondContact N-OD2 2.81Å; M1-D4 PolarHBondContact O-N 2.98Å; M1-D5 PolarHBondContact O-N 3.03Å
2D63.4Low70.9Confident121 Ų121128 Ų12865%0.64760%0.601SS**Hα-helixtrans-58.5-29.5-175.9-75.1-5.1000116.1R6D2-R6 WeakPolarHBondContact O-CB 3.26Å; D2-R6 VanDerWaalsContact O-CG 3.31Å; D2-R6 WeakPolarHBondContact O-CG 3.35Å; D2-R6 PolarHBondContact O-N 2.91Å; D2-R6 PolarHBondContact O-NE 3.41Å
3R62.9Low72Confident196 Ų196126.8 Ų126.874%0.7459%0.587SS**Hα-helixtrans-75.7-38.5174.3-82.4-175.3175.9177.4-0.2112M1 N7M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.1Å; R3-N7 WeakPolarHBondContact O-CB 3.41Å; R3-N7 VanDerWaalsContact O-CG 3.25Å; R3-N7 PolarHBondContact O-N 3.24Å; R3-N7 PolarHBondContact O-ND2 3.24Å
4D63.6Low73Confident103 Ų103122.5 Ų122.555%0.55157%0.567SS**Hα-helixtrans-71.2-41-178.5-51-50.7000110.5M1 N7 L8M1-D4 PolarHBondContact N-OD2 2.81Å; M1-D4 PolarHBondContact O-N 2.98Å; D4-N7 PolarHBondContact O-N 3.48Å; D4-L8 WeakPolarHBondContact O-CB 3.29Å; D4-L8 PolarHBondContact O-N 2.77Å
5D63.4Low74.1Confident75 Ų75118.1 Ų118.140%0.40155%0.55SS..Hα-helixtrans-63.6-44.5175.2-71.3-27.9000111.5M1 N7 L8 H9M1-D5 PolarHBondContact O-N 3.03Å; D5-N7 VanDerWaalsContact C-N 3.31Å; D5-N7 PolarHBondContact O-N 2.99Å; D5-L8 PolarHBondContact O-N 2.98Å; D5-H9 WeakPolarHBondContact O-CB 3.08Å; D5-H9 PolarHBondContact O-N 3.38Å; D5-H9 PolarHBondContact O-ND1 3.12Å
6R70.9Confident75Confident160 Ų160114 Ų11460%0.60454%0.535SS*.Hα-helixtrans-61-39.7175.4-79.2-178.5-73.5-154.8-4112.3D2 K10D2-R6 WeakPolarHBondContact O-CB 3.26Å; D2-R6 VanDerWaalsContact O-CG 3.31Å; D2-R6 WeakPolarHBondContact O-CG 3.35Å; D2-R6 PolarHBondContact O-N 2.91Å; D2-R6 PolarHBondContact O-NE 3.41Å; R6-K10 WeakPolarHBondContact O-CB 3.46Å; R6-K10 PolarHBondContact O-N 3.26Å
7N73.4Confident75.9Confident94 Ų94107.9 Ų107.950%0.50351%0.506SS..Hα-helixtrans-68.3-39.6176.6-74.7-22.7000112.1R3 D4 D5 K10 R11R3-N7 WeakPolarHBondContact O-CB 3.41Å; R3-N7 VanDerWaalsContact O-CG 3.25Å; R3-N7 PolarHBondContact O-N 3.24Å; R3-N7 PolarHBondContact O-ND2 3.24Å; D4-N7 PolarHBondContact O-N 3.48Å; D5-N7 VanDerWaalsContact C-N 3.31Å; D5-N7 PolarHBondContact O-N 2.99Å; N7-K10 PolarHBondContact O-N 3.16Å; N7-R11 WeakPolarHBondContact O-CG 3.5Å; N7-R11 PolarHBondContact O-N 2.91Å
8L71.3Confident76.8Confident114 Ų114101.9 Ų101.960%0.59748%0.478SS*.Hα-helixtrans-64.2-46.5176.2-168.274.4000111.2D4 D5 K10 R11 A12D4-L8 WeakPolarHBondContact O-CB 3.29Å; D4-L8 PolarHBondContact O-N 2.77Å; D5-L8 PolarHBondContact O-N 2.98Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.21Å; L8-R11 PolarHBondContact O-N 2.91Å; L8-A12 WeakPolarHBondContact O-CB 3.29Å; L8-A12 PolarHBondContact O-N 2.73Å
9H77.8Confident77.6Confident134 Ų13497 Ų9762%0.6246%0.456SS*.Hα-helixtrans-61.7-39.7175.8-75.679.3000111.9D5 A12 R13D5-H9 WeakPolarHBondContact O-CB 3.08Å; D5-H9 PolarHBondContact O-N 3.38Å; D5-H9 PolarHBondContact O-ND1 3.12Å; H9-A12 PolarHBondContact O-N 2.76Å; H9-R13 WeakPolarHBondContact O-CB 3.44Å; H9-R13 PolarHBondContact O-N 3.2Å
10K82.7Confident78.2Confident128 Ų12892.3 Ų92.356%0.55743%0.434SS*.Hα-helixtrans-63.9-46.6175.9-172.4179.2179.5-177.20111.6R6 N7 L8 R13 Q14R6-K10 WeakPolarHBondContact O-CB 3.46Å; R6-K10 PolarHBondContact O-N 3.26Å; N7-K10 PolarHBondContact O-N 3.16Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.21Å; K10-R13 PolarHBondContact O-N 3.12Å; K10-Q14 WeakPolarHBondContact O-CG 3.42Å; K10-Q14 PolarHBondContact O-N 2.66Å
11R81.4Confident78.9Confident186 Ų18688 Ų8870%0.70241%0.414SS*.Hα-helixtrans-63-42.4176.6-76-179.4175.2-178.7-0.6112N7 L8 R13 Q14 L15N7-R11 WeakPolarHBondContact O-CG 3.5Å; N7-R11 PolarHBondContact O-N 2.91Å; L8-R11 PolarHBondContact O-N 2.91Å; R11-R13 PolarHBondContact O-N 3.48Å; R11-Q14 PolarHBondContact O-N 3.4Å; R11-L15 WeakPolarHBondContact O-CB 3.46Å; R11-L15 PolarHBondContact O-N 3.29Å
12A83.2Confident80.6Confident54 Ų5479.9 Ų79.945%0.44637%0.374SS..Hα-helixtrans-61.4-44175.700000111.7L8 H9 L15 V16L8-A12 WeakPolarHBondContact O-CB 3.29Å; L8-A12 PolarHBondContact O-N 2.73Å; H9-A12 PolarHBondContact O-N 2.76Å; A12-L15 PolarHBondContact O-N 2.84Å; A12-V16 WeakPolarHBondContact O-CG2 3.39Å; A12-V16 PolarHBondContact O-N 3.49Å
13R84.8Confident81.9Confident113 Ų11376.2 Ų76.243%0.42635%0.351SS..Hα-helixtrans-61.2-44.9175-178.2179.9175.4174-0.6112.1H9 K10 R11 L15 V16 L17 Q36 D37H9-R13 WeakPolarHBondContact O-CB 3.44Å; H9-R13 PolarHBondContact O-N 3.2Å; K10-R13 PolarHBondContact O-N 3.12Å; R11-R13 PolarHBondContact O-N 3.48Å; R13-L15 VanDerWaalsContact C-N 3.33Å; R13-V16 PolarHBondContact O-N 3.02Å; R13-L17 WeakPolarHBondContact O-CB 3.1Å; R13-L17 PolarHBondContact O-N 2.71Å; R13-Q36 PolarHBondContact NE-O 2.85Å; R13-Q36 VanDerWaalsContact NE-O 3.15Å; R13-Q36 PolarHBondContact NH2-O 3.06Å; R13-D37 IonicContact CZ-OD1 3.5Å; R13-D37 IonicContact NH2-OD1 2.77Å; R13-D37 PolarHBondContact NH2-OD1 2.69Å
14Q87.1Confident83.2Confident66 Ų6666.9 Ų66.931%0.30832%0.316SS..Hα-helixtrans-62.1-41.5176.8-73.4175-38.500111.6K10 R11 L17 A18 L304K10-Q14 WeakPolarHBondContact O-CG 3.42Å; K10-Q14 PolarHBondContact O-N 2.66Å; R11-Q14 PolarHBondContact O-N 3.4Å; Q14-L17 PolarHBondContact O-N 2.78Å; Q14-A18 WeakPolarHBondContact O-CB 3.36Å; Q14-A18 PolarHBondContact O-N 2.83Å; Q14-L304 HydrophobicContact CG-CD2 4.23Å
15L88.3Confident84.4Confident57 Ų5762 Ų6230%0.29829%0.29SS..Hα-helixtrans-65.1-45.6177.7-172.9147.8000111.6R11 A12 R13 L17 A18 T19 I327R11-L15 WeakPolarHBondContact O-CB 3.46Å; R11-L15 PolarHBondContact O-N 3.29Å; A12-L15 PolarHBondContact O-N 2.84Å; R13-L15 VanDerWaalsContact C-N 3.33Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.17Å; L15-A18 PolarHBondContact O-N 2.95Å; L15-T19 HydrophobicContact CD2-CG2 4.08Å; L15-T19 VanDerWaalsContact O-CG2 3.27Å; L15-T19 WeakPolarHBondContact O-CG2 3.39Å; L15-T19 PolarHBondContact O-N 3.39Å; L15-T19 PolarHBondContact O-OG1 3.33Å; L15-I327 HydrophobicContact CD2-CD1 4.02Å
16V89Confident85.4Confident52 Ų5259 Ų5932%0.31527%0.274SS..Hα-helixtrans-59.5-47.7175.71720000110.3A12 R13 A18 T19 T20 L38 V41A12-V16 WeakPolarHBondContact O-CG2 3.39Å; A12-V16 PolarHBondContact O-N 3.49Å; R13-V16 PolarHBondContact O-N 3.02Å; V16-A18 PolarHBondContact O-N 3.47Å; V16-T19 WeakPolarHBondContact CA-OG1 3.44Å; V16-T19 PolarHBondContact O-N 2.88Å; V16-T19 PolarHBondContact O-OG1 3.47Å; V16-T20 WeakPolarHBondContact O-CG2 3.46Å; V16-T20 PolarHBondContact O-N 2.86Å; V16-L38 HydrophobicContact CG1-CD1 4.13Å; V16-V41 HydrophobicContact CG1-CG1 3.92Å
17L90.5Very high85.9Confident10 Ų1055.2 Ų55.25%0.05226%0.264CS..Hα-helixtrans-60.6-44.4177.3-179.662.3000112.4R13 Q14 L15 T19 T20 L21 F34 Q36 V41 L304R13-L17 WeakPolarHBondContact O-CB 3.1Å; R13-L17 PolarHBondContact O-N 2.71Å; Q14-L17 PolarHBondContact O-N 2.78Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.17Å; L17-T19 VanDerWaalsContact C-N 3.35Å; L17-T19 PolarHBondContact O-N 3.46Å; L17-T20 PolarHBondContact O-N 3.49Å; L17-T20 PolarHBondContact O-OG1 3.27Å; L17-L21 HydrophobicContact CD1-CD1 4.32Å; L17-L21 HydrophobicContact CD1-CG 4.39Å; L17-L21 HydrophobicContact CG-CD1 4.08Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.39Å; L17-F34 HydrophobicContact CD1-CE2 3.5Å; L17-F34 HydrophobicContact CD1-CZ 3.88Å; L17-Q36 HydrophobicContact CD1-CG 4.33Å; L17-Q36 HydrophobicContact CD2-CB 4.17Å; L17-Q36 HydrophobicContact CD2-CG 4.03Å; L17-V41 HydrophobicContact CD1-CG2 4.45Å; L17-L304 HydrophobicContact CB-CD1 4.22Å; L17-L304 HydrophobicContact CD2-CD1 3.66Å; L17-L304 HydrophobicContact CD2-CD2 4.48Å; L17-L304 HydrophobicContact CG-CD1 3.72Å
18A91.7Very high86.3Confident0 Ų051.9 Ų51.90%025%0.247CC..Hα-helixtrans-63.8-41.3177.400000111.8Q14 L15 V16 T20 L21 I22 L304 I305Q14-A18 WeakPolarHBondContact O-CB 3.36Å; Q14-A18 PolarHBondContact O-N 2.83Å; L15-A18 PolarHBondContact O-N 2.95Å; V16-A18 PolarHBondContact O-N 3.47Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.23Å; A18-L21 PolarHBondContact O-N 3.28Å; A18-I22 WeakPolarHBondContact O-CD1 3.12Å; A18-I22 VanDerWaalsContact O-CG1 3.23Å; A18-I22 WeakPolarHBondContact O-CG1 3.2Å; A18-I22 PolarHBondContact O-N 3Å; A18-L304 HydrophobicContact CB-CB 4.05Å; A18-L304 HydrophobicContact CB-CD1 4.27Å; A18-I305 HydrophobicContact CB-CG2 3.32Å
19T91.7Very high87Confident9 Ų948 Ų486%0.05522%0.224CC..Hα-helixtrans-62.4-39.5176.858.40000112L15 V16 L17 R23 V324 I327 V328L15-T19 HydrophobicContact CD2-CG2 4.08Å; L15-T19 VanDerWaalsContact O-CG2 3.27Å; L15-T19 WeakPolarHBondContact O-CG2 3.39Å; L15-T19 PolarHBondContact O-N 3.39Å; L15-T19 PolarHBondContact O-OG1 3.33Å; V16-T19 WeakPolarHBondContact CA-OG1 3.44Å; V16-T19 PolarHBondContact O-N 2.88Å; V16-T19 PolarHBondContact O-OG1 3.47Å; L17-T19 VanDerWaalsContact C-N 3.35Å; L17-T19 PolarHBondContact O-N 3.46Å; T19-R23 WeakPolarHBondContact O-CB 3.34Å; T19-R23 PolarHBondContact O-N 3.37Å; T19-V324 HydrophobicContact CG2-CG1 3.93Å; T19-I327 HydrophobicContact CG2-CB 4.17Å; T19-I327 HydrophobicContact CG2-CD1 4.24Å; T19-I327 HydrophobicContact CG2-CG2 4.03Å; T19-V328 HydrophobicContact CG2-CG2 4.32Å; T19-V328 WeakPolarHBondContact O-CG2 3.47Å
20T90.7Very high87.2Confident3 Ų342.5 Ų42.52%0.01820%0.199CC..Hα-helixtrans-70-40177.461.10000111.9V16 L17 A18 R23 D24 V41 E45V16-T20 WeakPolarHBondContact O-CG2 3.46Å; V16-T20 PolarHBondContact O-N 2.86Å; L17-T20 PolarHBondContact O-N 3.49Å; L17-T20 PolarHBondContact O-OG1 3.27Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.23Å; T20-R23 WeakPolarHBondContact O-CB 3.22Å; T20-R23 PolarHBondContact O-N 3.23Å; T20-D24 WeakPolarHBondContact O-CB 3.31Å; T20-D24 VanDerWaalsContact O-CG 3.28Å; T20-D24 PolarHBondContact O-N 3.34Å; T20-V41 HydrophobicContact CG2-CG1 3.47Å; T20-V41 VanDerWaalsContact CG2-CG1 3.47Å; T20-E45 HydrophobicContact CG2-CG 3.9Å; T20-E45 WeakPolarHBondContact CG2-OE1 3.28Å
21L92.3Very high87.1Confident1 Ų138.8 Ų38.81%0.00518%0.184CC..Hα-helixtrans-63.5-41.5175.6-69.1170.4000112.9L17 A18 R23 D24 A25 F34 K297 E300 A301 L304L17-L21 HydrophobicContact CD1-CD1 4.32Å; L17-L21 HydrophobicContact CD1-CG 4.39Å; L17-L21 HydrophobicContact CG-CD1 4.08Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.39Å; A18-L21 PolarHBondContact O-N 3.28Å; L21-R23 VanDerWaalsContact C-N 3.35Å; L21-D24 PolarHBondContact O-N 2.81Å; L21-A25 PolarHBondContact O-N 3.37Å; L21-F34 HydrophobicContact CD2-CE1 4.47Å; L21-F34 HydrophobicContact CD2-CZ 4.12Å; L21-K297 HydrophobicContact CD2-CD 3.54Å; L21-E300 HydrophobicContact CD1-CB 4.04Å; L21-E300 HydrophobicContact CD1-CG 3.65Å; L21-A301 HydrophobicContact CB-CB 3.95Å; L21-A301 HydrophobicContact CD1-CB 4.46Å; L21-L304 HydrophobicContact CD1-CD1 3.85Å
22I92.2Very high87Confident1 Ų130.4 Ų30.41%0.00515%0.153CC..Hα-helixtrans-66.6-40.5175.9-65.6162.2000110.2A18 D24 A25 C26 L298 A301 I305 V324 M325 V328 F357 L360A18-I22 WeakPolarHBondContact O-CD1 3.12Å; A18-I22 VanDerWaalsContact O-CG1 3.23Å; A18-I22 WeakPolarHBondContact O-CG1 3.2Å; A18-I22 PolarHBondContact O-N 3Å; I22-D24 VanDerWaalsContact C-N 3.34Å; I22-A25 PolarHBondContact O-N 3.13Å; I22-C26 WeakPolarHBondContact O-CB 3.22Å; I22-C26 PolarHBondContact O-N 3.39Å; I22-C26 PolarHBondContact O-SG 3.48Å; I22-L298 HydrophobicContact CG1-CD2 4.35Å; I22-A301 HydrophobicContact CD1-CB 4.14Å; I22-A301 HydrophobicContact CG1-CB 3.59Å; I22-I305 HydrophobicContact CD1-CD1 4.14Å; I22-V324 HydrophobicContact CD1-CG1 3.39Å; I22-M325 HydrophobicContact CG2-SD 3.84Å; I22-V328 HydrophobicContact CB-CG2 4.1Å; I22-V328 HydrophobicContact CG2-CG1 4Å; I22-V328 HydrophobicContact CG2-CG2 4.02Å; I22-F357 HydrophobicContact CD1-CZ 3.85Å; I22-F357 HydrophobicContact CG1-CZ 4.06Å; I22-L360 HydrophobicContact CG2-CD2 3.96Å
23R90.7Very high87Confident44 Ų4434.4 Ų34.417%0.16616%0.156CC..Hα-helixtrans-61-44.9174.7-173.2175.5-72.21541.3110.9T19 T20 L21 A25 C26 E27 E45 I327 V328T19-R23 WeakPolarHBondContact O-CB 3.34Å; T19-R23 PolarHBondContact O-N 3.37Å; T20-R23 WeakPolarHBondContact O-CB 3.22Å; T20-R23 PolarHBondContact O-N 3.23Å; L21-R23 VanDerWaalsContact C-N 3.35Å; R23-A25 VanDerWaalsContact C-N 3.34Å; R23-A25 PolarHBondContact O-N 3.48Å; R23-C26 PolarHBondContact O-N 3.24Å; R23-E27 HydrophobicContact CG-CG 4.24Å; R23-E27 WeakPolarHBondContact O-CB 3.42Å; R23-E27 PolarHBondContact O-N 3.28Å; R23-E45 IonicContact CZ-OE2 2.68Å; R23-E45 VanDerWaalsContact NH1-CD 3.32Å; R23-E45 IonicContact NH1-OE1 3.38Å; R23-E45 PolarHBondContact NH1-OE1 2.85Å; R23-E45 IonicContact NH1-OE2 2.69Å; R23-E45 PolarHBondContact NH1-OE2 3.09Å; R23-I327 PolarHBondContact NH2-O 3.21Å; R23-V328 HydrophobicContact CB-CG1 3.77Å; R23-V328 HydrophobicContact CG-CG1 4.33Å; R23-V328 PolarHBondContact NE-O 2.74Å; R23-V328 PolarHBondContact NH2-O 2.95Å
24D90.3Very high87Confident0 Ų029.6 Ų29.60%014%0.138CC..Hα-helixtrans-60.6-41.6177.3-76.9-13.5000112.4T20 L21 I22 T28 R29 F34 Y44T20-D24 WeakPolarHBondContact O-CB 3.31Å; T20-D24 VanDerWaalsContact O-CG 3.28Å; T20-D24 PolarHBondContact O-N 3.34Å; L21-D24 PolarHBondContact O-N 2.81Å; I22-D24 VanDerWaalsContact C-N 3.34Å; D24-T28 CarbonylContact O-C 3.51Å; D24-T28 VanDerWaalsContact O-CA 3.26Å; D24-T28 WeakPolarHBondContact O-CA 3.38Å; D24-T28 PolarHBondContact O-N 3.45Å; D24-R29 HydrophobicContact CB-CB 4.21Å; D24-R29 WeakPolarHBondContact CB-O 3.46Å; D24-R29 PolarHBondContact O-N 2.98Å; D24-R29 WeakPolarHBondContact OD1-CB 3.39Å; D24-R29 WeakPolarHBondContact OD1-CD 3.15Å; D24-F34 WeakPolarHBondContact OD2-CE1 3.38Å; D24-Y44 VanDerWaalsContact OD1-CE1 3.29Å; D24-Y44 WeakPolarHBondContact OD1-CE1 3.37Å; D24-Y44 PolarHBondContact OD1-OH 3.17Å; D24-Y44 PolarHBondContact OD2-OH 3.38Å; D24-Y44 VanDerWaalsContact OD2-OH 3.08Å
25A89Confident87Confident0 Ų029.4 Ų29.40%014%0.137CC..Hα-helixtrans-65.8-43.2177.100000112.3L21 I22 R23 K297 L298L21-A25 PolarHBondContact O-N 3.37Å; I22-A25 PolarHBondContact O-N 3.13Å; R23-A25 VanDerWaalsContact C-N 3.34Å; R23-A25 PolarHBondContact O-N 3.48Å; A25-K297 HydrophobicContact CB-CB 4.18Å; A25-L298 HydrophobicContact CB-CD1 4.32Å; A25-L298 HydrophobicContact CB-CD2 3.76Å; A25-L298 HydrophobicContact CB-CG 3.68Å
26C85.4Confident86.7Confident12 Ų1231.1 Ų31.18%0.08114%0.143CC..Hα-helixtrans-76.3-43.6-177.4-650000113.2I22 R23 T28 H329I22-C26 WeakPolarHBondContact O-CB 3.22Å; I22-C26 PolarHBondContact O-N 3.39Å; I22-C26 PolarHBondContact O-SG 3.48Å; R23-C26 PolarHBondContact O-N 3.24Å; C26-T28 VanDerWaalsContact C-N 3.26Å; C26-T28 PolarHBondContact O-N 3.31Å; C26-H329 WeakPolarHBondContact CB-CE1 3.41Å
27E81.1Confident86.5Confident82 Ų8232.4 Ų32.438%0.38315%0.148SC..Hα-helixtrans-85.10.9177-67.1-163.9-168.100113R23 R29R23-E27 HydrophobicContact CG-CG 4.24Å; R23-E27 WeakPolarHBondContact O-CB 3.42Å; R23-E27 PolarHBondContact O-N 3.28Å; E27-R29 HydrophobicContact CB-CG 4.17Å; E27-R29 PolarHBondContact O-N 3Å; E27-R29 IonicContact OE1-NH2 2.97Å; E27-R29 IonicContact OE2-CZ 3.17Å; E27-R29 IonicContact OE2-NE 3.2Å; E27-R29 PolarHBondContact OE2-NE 3.32Å; E27-R29 IonicContact OE2-NH2 3.21Å; E27-R29 PolarHBondContact OE2-NH2 3.37Å
28T81.4Confident86.3Confident23 Ų2335.8 Ų35.814%0.14117%0.166CC..THydrogen-bonded Turntrans65.829.9176.6780000115.4D24 C26 L30 R167 E726D24-T28 CarbonylContact O-C 3.51Å; D24-T28 VanDerWaalsContact O-CA 3.26Å; D24-T28 WeakPolarHBondContact O-CA 3.38Å; D24-T28 PolarHBondContact O-N 3.45Å; C26-T28 VanDerWaalsContact C-N 3.26Å; C26-T28 PolarHBondContact O-N 3.31Å; T28-L30 VanDerWaalsContact C-N 3.32Å; T28-L30 PolarHBondContact O-N 3.22Å; T28-R167 PolarHBondContact O-NH1 2.81Å; T28-E726 VanDerWaalsContact CG2-OE2 3.31Å; T28-E726 WeakPolarHBondContact CG2-OE2 3.16Å
29R85.5Confident86.1Confident34 Ų3441.9 Ų41.913%0.12820%0.198CC..  trans-82.672.8174.9-52.3173.1-174.5-175.2-4.8110.4D24 E27 E45 Y48D24-R29 HydrophobicContact CB-CB 4.21Å; D24-R29 WeakPolarHBondContact CB-O 3.46Å; D24-R29 PolarHBondContact O-N 2.98Å; D24-R29 WeakPolarHBondContact OD1-CB 3.39Å; D24-R29 WeakPolarHBondContact OD1-CD 3.15Å; E27-R29 HydrophobicContact CB-CG 4.17Å; E27-R29 PolarHBondContact O-N 3Å; E27-R29 IonicContact OE1-NH2 2.97Å; E27-R29 IonicContact OE2-CZ 3.17Å; E27-R29 IonicContact OE2-NE 3.2Å; E27-R29 PolarHBondContact OE2-NE 3.32Å; E27-R29 IonicContact OE2-NH2 3.21Å; E27-R29 PolarHBondContact OE2-NH2 3.37Å; R29-E45 IonicContact NH1-OE2 3.76Å; R29-Y48 HydrophobicContact CG-CE1 4.32Å; R29-Y48 VanDerWaalsContact NH1-CB 3.33Å
30L82.3Confident86Confident17 Ų1742 Ų429%0.08920%0.199CC..  trans-101.42.4-168.2-55.3176.2000114.6T28 R167 T290 K293 R294 K297T28-L30 VanDerWaalsContact C-N 3.32Å; T28-L30 PolarHBondContact O-N 3.22Å; L30-R167 VanDerWaalsContact CD1-NH1 3.26Å; L30-T290 HydrophobicContact CD1-CG2 4.1Å; L30-K293 HydrophobicContact CB-CB 4.36Å; L30-K293 HydrophobicContact CB-CD 4.36Å; L30-K293 HydrophobicContact CD1-CB 3.81Å; L30-K293 HydrophobicContact CD2-CB 4.49Å; L30-K293 HydrophobicContact CG-CB 4.44Å; L30-R294 HydrophobicContact CD1-CG 3.78Å; L30-R294 HydrophobicContact CD2-CG 4.11Å; L30-K297 HydrophobicContact CD2-CG 4.24Å
31E79.9Confident85.9Confident50 Ų5042.1 Ų42.123%0.23420%0.2CC..SBendtrans-91.6-35.3-166.3-57.8-161.9165.900114.4P164 R167 R170E31-P164 HydrophobicContact CB-CB 4.3Å; E31-P164 WeakPolarHBondContact OE2-CA 3.47Å; E31-P164 WeakPolarHBondContact OE2-CB 3.26Å; E31-R167 WeakPolarHBondContact OE1-CB 3.42Å; E31-R167 WeakPolarHBondContact OE1-CG 3.43Å; E31-R170 IonicContact OE1-CZ 3.7Å; E31-R170 IonicContact OE1-NH1 2.96Å; E31-R170 PolarHBondContact OE1-NH1 3.3Å; E31-R170 IonicContact OE1-NH2 3.94Å; E31-R170 IonicContact OE2-CZ 3.6Å; E31-R170 IonicContact OE2-NH1 2.6Å; E31-R170 PolarHBondContact OE2-NH1 3.13Å; E31-R170 IonicContact OE2-NH2 3.82Å; E31-R170 PolarHBondContact OE2-NH2 3.13Å
32I80.2Confident85.7Confident11 Ų1147.4 Ų47.46%0.05622%0.224CC..  trans-100.3124.1-172.4-56.6175.3000109.2Y44 Y47 Y48 I105 M108 P164I32-Y44 HydrophobicContact CB-CE2 3.99Å; I32-Y44 HydrophobicContact CD1-CE2 4.33Å; I32-Y44 HydrophobicContact CG2-CD2 4.37Å; I32-Y44 HydrophobicContact CG2-CE2 4.1Å; I32-Y47 HydrophobicContact CD1-CE1 4.12Å; I32-Y48 HydrophobicContact CD1-CE2 4.16Å; I32-I105 HydrophobicContact CD1-CG1 4.49Å; I32-M108 HydrophobicContact CG2-SD 4.34Å; I32-P164 HydrophobicContact CD1-CB 4.41Å; I32-P164 HydrophobicContact CD1-CG 4.06Å; I32-P164 HydrophobicContact CG1-CB 4.48Å
33R83.9Confident85.6Confident138 Ų13850.7 Ų50.752%0.52124%0.241SC..  trans-9498.3166.4-70.4-174.4177.1-170.3-0.2108.7S109 E110 T113R33-S109 WeakPolarHBondContact O-CA 3.37Å; R33-S109 PolarHBondContact O-OG 3.21Å; R33-E110 PolarHBondContact O-N 3.36Å; R33-T113 HydrophobicContact CB-CG2 4.45Å
34F84.6Confident85.6Confident11 Ų1148.6 Ų48.65%0.04823%0.234CC..BIsolated β-bridgetrans-82.7152.5179.659.9-93.8000111.3L17 L21 D24 V41 Y44 M108L17-F34 HydrophobicContact CD1-CE2 3.5Å; L17-F34 HydrophobicContact CD1-CZ 3.88Å; L21-F34 HydrophobicContact CD2-CE1 4.47Å; L21-F34 HydrophobicContact CD2-CZ 4.12Å; D24-F34 WeakPolarHBondContact OD2-CE1 3.38Å; F34-V41 HydrophobicContact CD2-CG2 3.97Å; F34-V41 HydrophobicContact CE2-CG2 3.73Å; F34-Y44 HydrophobicContact CB-CD2 4.12Å; F34-Y44 HydrophobicContact CB-CG 4.47Å; F34-Y44 HydrophobicContact CD1-CD1 4.18Å; F34-Y44 AromaticContact CD1-CD2 3.88Å; F34-Y44 HydrophobicContact CD1-CD2 3.88Å; F34-Y44 HydrophobicContact CD1-CE1 4.13Å; F34-Y44 AromaticContact CD1-CE2 3.83Å; F34-Y44 HydrophobicContact CD1-CE2 3.83Å; F34-Y44 HydrophobicContact CD1-CG 4.06Å; F34-Y44 AromaticContact CD1-CZ 3.97Å; F34-Y44 HydrophobicContact CE1-CD1 4.32Å; F34-Y44 HydrophobicContact CE1-CE1 4.09Å; F34-Y44 HydrophobicContact CG-CD2 4.24Å; F34-Y44 HydrophobicContact CG-CG 4.31Å; F34-M108 CarbonylContact C-O 3.21Å; F34-M108 WeakPolarHBondContact CA-O 3.43Å
35K85.7Confident85.6Confident62 Ų6250.6 Ų50.627%0.2724%0.243SC..  trans-65.1138.1172.3-63.9168.8-174153.40109.8D37 S40 V107 M108 S109 E110K35-D37 PolarHBondContact O-N 3.2Å; K35-S40 WeakPolarHBondContact O-CB 3.14Å; K35-V107 PolarHBondContact NZ-O 2.72Å; K35-M108 PolarHBondContact N-O 3.15Å; K35-S109 VanDerWaalsContact CE-O 3.28Å; K35-S109 WeakPolarHBondContact CE-O 3.33Å; K35-E110 HydrophobicContact CG-CG 4.29Å
36Q82.7Confident85.6Confident93 Ų9356.1 Ų56.144%0.43527%0.268SS..SBendtrans-71.615.1-178.2-64.1179.9-18.100114.7R13 L17 E300R13-Q36 PolarHBondContact NE-O 2.85Å; R13-Q36 VanDerWaalsContact NE-O 3.15Å; R13-Q36 PolarHBondContact NH2-O 3.06Å; L17-Q36 HydrophobicContact CD1-CG 4.33Å; L17-Q36 HydrophobicContact CD2-CB 4.17Å; L17-Q36 HydrophobicContact CD2-CG 4.03Å; Q36-E300 PolarHBondContact NE2-OE1 3.32Å
37D85.5Confident85.9Confident80 Ų8055.8 Ų55.843%0.42827%0.266SS..SBendtrans-83.9142.3177.1-62.5-36.3000111.6R13 K35 L39 S40 V41R13-D37 IonicContact CZ-OD1 3.5Å; R13-D37 IonicContact NH2-OD1 2.77Å; R13-D37 PolarHBondContact NH2-OD1 2.69Å; K35-D37 PolarHBondContact O-N 3.2Å; D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.18Å; D37-S40 WeakPolarHBondContact O-CB 3.47Å; D37-S40 PolarHBondContact O-N 2.86Å; D37-V41 WeakPolarHBondContact O-CG2 3.43Å; D37-V41 PolarHBondContact O-N 3.5Å
38L85.3Confident86.4Confident80 Ų8053.1 Ų53.142%0.41925%0.252SS..Hα-helixtrans-56.7-40.9-173.8-171.968.6000112.8V16 S40 V41 Q42V16-L38 HydrophobicContact CG1-CD1 4.13Å; L38-S40 VanDerWaalsContact C-N 3.33Å; L38-S40 PolarHBondContact O-N 3.4Å; L38-V41 PolarHBondContact O-N 3.27Å; L38-Q42 WeakPolarHBondContact O-CG 3.41Å; L38-Q42 PolarHBondContact O-N 3.3Å
39L87.9Confident86.8Confident129 Ų12953.6 Ų53.668%0.67526%0.257SS*.Hα-helixtrans-61.6-41.2176.5-68.7172.5000112.1D37 V41 Q42 L43D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.18Å; L39-V41 VanDerWaalsContact C-N 3.34Å; L39-Q42 PolarHBondContact O-N 3.17Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 3.45Å
40S89.2Confident87Confident11 Ų1159.3 Ų59.38%0.07728%0.282CS..Hα-helixtrans-67.8-37.8178.6-57.90000111.2K35 D37 L38 L43 Y44K35-S40 WeakPolarHBondContact O-CB 3.14Å; D37-S40 WeakPolarHBondContact O-CB 3.47Å; D37-S40 PolarHBondContact O-N 2.86Å; L38-S40 VanDerWaalsContact C-N 3.33Å; L38-S40 PolarHBondContact O-N 3.4Å; S40-L43 PolarHBondContact O-N 2.85Å; S40-Y44 VanDerWaalsContact O-CB 3.24Å; S40-Y44 WeakPolarHBondContact O-CB 3.16Å; S40-Y44 PolarHBondContact O-N 3.47Å
41V88.3Confident87.5Confident5 Ų563 Ų633%0.0331%0.309CS..Hα-helixtrans-66.3-41.4174.9-179.90000111.5V16 L17 T20 F34 D37 L38 L39 Y44 E45V16-V41 HydrophobicContact CG1-CG1 3.92Å; L17-V41 HydrophobicContact CD1-CG2 4.45Å; T20-V41 HydrophobicContact CG2-CG1 3.47Å; T20-V41 VanDerWaalsContact CG2-CG1 3.47Å; F34-V41 HydrophobicContact CD2-CG2 3.97Å; F34-V41 HydrophobicContact CE2-CG2 3.73Å; D37-V41 WeakPolarHBondContact O-CG2 3.43Å; D37-V41 PolarHBondContact O-N 3.5Å; L38-V41 PolarHBondContact O-N 3.27Å; L39-V41 VanDerWaalsContact C-N 3.34Å; V41-Y44 WeakPolarHBondContact O-CB 3.49Å; V41-Y44 PolarHBondContact O-N 3.45Å; V41-E45 PolarHBondContact O-N 3.19Å
42Q88.9Confident88.1Confident112 Ų11261.7 Ų61.752%0.52331%0.306SS..Hα-helixtrans-63.7-44175.5-74.3175.7-14.900112.2L38 L39 Y44 E45 H46L38-Q42 WeakPolarHBondContact O-CG 3.41Å; L38-Q42 PolarHBondContact O-N 3.3Å; L39-Q42 PolarHBondContact O-N 3.17Å; Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 3.31Å; Q42-E45 PolarHBondContact O-N 2.68Å; Q42-H46 WeakPolarHBondContact O-CB 2.93Å; Q42-H46 PolarHBondContact O-N 2.62Å
43L90.2Very high88.7Confident70 Ų7062.8 Ų62.837%0.36631%0.313SS..Hα-helixtrans-63.2-38.2174.6-72.5172.2000111.9L39 S40 H46 Y47 V107L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 3.45Å; S40-L43 PolarHBondContact O-N 2.85Å; L43-H46 PolarHBondContact O-N 3.23Å; L43-Y47 VanDerWaalsContact O-CB 3.31Å; L43-Y47 WeakPolarHBondContact O-CB 3.39Å; L43-Y47 PolarHBondContact O-N 2.67Å; L43-V107 HydrophobicContact CD1-CG1 4.1Å
44Y91.1Very high89.1Confident0 Ų061.5 Ų61.50%032%0.315CS..Hα-helixtrans-63.7-46.4176.4-179.7-96.7000112.3D24 I32 F34 S40 V41 Q42 H46 Y47 Y48 M108D24-Y44 VanDerWaalsContact OD1-CE1 3.29Å; D24-Y44 WeakPolarHBondContact OD1-CE1 3.37Å; D24-Y44 PolarHBondContact OD1-OH 3.17Å; D24-Y44 PolarHBondContact OD2-OH 3.38Å; D24-Y44 VanDerWaalsContact OD2-OH 3.08Å; I32-Y44 HydrophobicContact CB-CE2 3.99Å; I32-Y44 HydrophobicContact CD1-CE2 4.33Å; I32-Y44 HydrophobicContact CG2-CD2 4.37Å; I32-Y44 HydrophobicContact CG2-CE2 4.1Å; F34-Y44 HydrophobicContact CB-CD2 4.12Å; F34-Y44 HydrophobicContact CB-CG 4.47Å; F34-Y44 HydrophobicContact CD1-CD1 4.18Å; F34-Y44 AromaticContact CD1-CD2 3.88Å; F34-Y44 HydrophobicContact CD1-CD2 3.88Å; F34-Y44 HydrophobicContact CD1-CE1 4.13Å; F34-Y44 AromaticContact CD1-CE2 3.83Å; F34-Y44 HydrophobicContact CD1-CE2 3.83Å; F34-Y44 HydrophobicContact CD1-CG 4.06Å; F34-Y44 AromaticContact CD1-CZ 3.97Å; F34-Y44 HydrophobicContact CE1-CD1 4.32Å; F34-Y44 HydrophobicContact CE1-CE1 4.09Å; F34-Y44 HydrophobicContact CG-CD2 4.24Å; F34-Y44 HydrophobicContact CG-CG 4.31Å; S40-Y44 VanDerWaalsContact O-CB 3.24Å; S40-Y44 WeakPolarHBondContact O-CB 3.16Å; S40-Y44 PolarHBondContact O-N 3.47Å; V41-Y44 WeakPolarHBondContact O-CB 3.49Å; V41-Y44 PolarHBondContact O-N 3.45Å; Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 3.31Å; Y44-H46 VanDerWaalsContact C-N 3.35Å; Y44-H46 PolarHBondContact O-N 2.78Å; Y44-Y47 WeakPolarHBondContact O-CB 3.46Å; Y44-Y47 PolarHBondContact O-N 3.19Å; Y44-Y48 HydrophobicContact CD1-CD2 4.42Å; Y44-Y48 HydrophobicContact CD2-CD2 4.32Å; Y44-Y48 HydrophobicContact CD2-CE2 4.13Å; Y44-Y48 HydrophobicContact CE1-CD2 4.03Å; Y44-Y48 HydrophobicContact CE1-CE2 4.2Å; Y44-Y48 AromaticContact CE2-CD2 3.91Å; Y44-Y48 HydrophobicContact CE2-CD2 3.91Å; Y44-Y48 AromaticContact CE2-CE2 3.41Å; Y44-Y48 HydrophobicContact CE2-CE2 3.41Å; Y44-Y48 VanDerWaalsContact CE2-CE2 3.41Å; Y44-Y48 AromaticContact CZ-CD2 3.74Å; Y44-Y48 AromaticContact CZ-CE2 3.44Å; Y44-Y48 VanDerWaalsContact CZ-CE2 3.44Å; Y44-Y48 PolarHBondContact O-N 3.33Å; Y44-Y48 VanDerWaalsContact O-N 3.17Å; Y44-Y48 WeakPolarHBondContact OH-CE2 3.38Å; Y44-M108 HydrophobicContact CD2-SD 3.67Å; Y44-M108 HydrophobicContact CG-SD 4.41Å
45E89Confident89.6Confident43 Ų4364.6 Ų64.620%0.20133%0.332CS..Hα-helixtrans-66.1-36.8175.4-73.6-64.315300112.2T20 R23 R29 V41 Q42 S49T20-E45 HydrophobicContact CG2-CG 3.9Å; T20-E45 WeakPolarHBondContact CG2-OE1 3.28Å; R23-E45 IonicContact CZ-OE2 2.68Å; R23-E45 VanDerWaalsContact NH1-CD 3.32Å; R23-E45 IonicContact NH1-OE1 3.38Å; R23-E45 PolarHBondContact NH1-OE1 2.85Å; R23-E45 IonicContact NH1-OE2 2.69Å; R23-E45 PolarHBondContact NH1-OE2 3.09Å; R29-E45 IonicContact NH1-OE2 3.76Å; V41-E45 PolarHBondContact O-N 3.19Å; Q42-E45 PolarHBondContact O-N 2.68Å; E45-S49 PolarHBondContact O-N 2.89Å; E45-S49 VanDerWaalsContact O-N 3.15Å
46H90.5Very high90Very high115 Ų11561.7 Ų61.753%0.53232%0.319SS..Hα-helixtrans-65.4-41.1174-174.771.2000112Q42 L43 Y44 Y48 S49 C52Q42-H46 WeakPolarHBondContact O-CB 2.93Å; Q42-H46 PolarHBondContact O-N 2.62Å; L43-H46 PolarHBondContact O-N 3.23Å; Y44-H46 VanDerWaalsContact C-N 3.35Å; Y44-H46 PolarHBondContact O-N 2.78Å; H46-Y48 VanDerWaalsContact C-N 3.35Å; H46-Y48 PolarHBondContact O-N 3.45Å; H46-S49 WeakPolarHBondContact O-CB 3.48Å; H46-S49 PolarHBondContact O-N 3.24Å; H46-S49 PolarHBondContact O-OG 2.85Å; H46-C52 PolarHBondContact O-SG 3.14Å
47Y91.4Very high90.5Very high6 Ų661 Ų612%0.02432%0.315CS..Hα-helixtrans-58.8-44177.2174.6-89.7000112.4I32 L43 Y44 S49 C52 R101 I104 I105 M108 P164 E165I32-Y47 HydrophobicContact CD1-CE1 4.12Å; L43-Y47 VanDerWaalsContact O-CB 3.31Å; L43-Y47 WeakPolarHBondContact O-CB 3.39Å; L43-Y47 PolarHBondContact O-N 2.67Å; Y44-Y47 WeakPolarHBondContact O-CB 3.46Å; Y44-Y47 PolarHBondContact O-N 3.19Å; Y47-S49 VanDerWaalsContact C-N 3.26Å; Y47-S49 PolarHBondContact O-N 3.32Å; Y47-C52 WeakPolarHBondContact O-CB 3.27Å; Y47-R101 HydrophobicContact CE2-CG 3.64Å; Y47-I104 HydrophobicContact CD2-CG2 4.23Å; Y47-I105 HydrophobicContact CD2-CG1 4.48Å; Y47-I105 HydrophobicContact CE2-CD1 4.06Å; Y47-I105 HydrophobicContact CE2-CG1 3.72Å; Y47-I105 VanDerWaalsContact OH-CD1 3.3Å; Y47-I105 WeakPolarHBondContact OH-CD1 3.44Å; Y47-M108 HydrophobicContact CD2-CE 4.09Å; Y47-M108 HydrophobicContact CG-CE 3.95Å; Y47-P164 HydrophobicContact CE1-CG 4.26Å; Y47-P164 WeakPolarHBondContact OH-CG 3.44Å; Y47-E165 WeakPolarHBondContact CE1-OE1 3.48Å; Y47-E165 PolarHBondContact OH-OE1 3.17Å
48Y90Very high90.9Very high26 Ų2661.3 Ų61.310%0.10232%0.316CS..THydrogen-bonded Turntrans-84.58.6175.4-77.4-70.9000114.3R29 I32 Y44 H46R29-Y48 HydrophobicContact CG-CE1 4.32Å; R29-Y48 VanDerWaalsContact NH1-CB 3.33Å; I32-Y48 HydrophobicContact CD1-CE2 4.16Å; Y44-Y48 HydrophobicContact CD1-CD2 4.42Å; Y44-Y48 HydrophobicContact CD2-CD2 4.32Å; Y44-Y48 HydrophobicContact CD2-CE2 4.13Å; Y44-Y48 HydrophobicContact CE1-CD2 4.03Å; Y44-Y48 HydrophobicContact CE1-CE2 4.2Å; Y44-Y48 AromaticContact CE2-CD2 3.91Å; Y44-Y48 HydrophobicContact CE2-CD2 3.91Å; Y44-Y48 AromaticContact CE2-CE2 3.41Å; Y44-Y48 HydrophobicContact CE2-CE2 3.41Å; Y44-Y48 VanDerWaalsContact CE2-CE2 3.41Å; Y44-Y48 AromaticContact CZ-CD2 3.74Å; Y44-Y48 AromaticContact CZ-CE2 3.44Å; Y44-Y48 VanDerWaalsContact CZ-CE2 3.44Å; Y44-Y48 PolarHBondContact O-N 3.33Å; Y44-Y48 VanDerWaalsContact O-N 3.17Å; Y44-Y48 WeakPolarHBondContact OH-CE2 3.38Å; H46-Y48 VanDerWaalsContact C-N 3.35Å; H46-Y48 PolarHBondContact O-N 3.45Å
49S90.9Very high91.4Very high33 Ų3359 Ų5923%0.23130%0.304CS..SBendtrans-62.6144.4173.974.50000110.6E45 H46 Y47 S51 C52 V53E45-S49 PolarHBondContact O-N 2.89Å; E45-S49 VanDerWaalsContact O-N 3.15Å; H46-S49 WeakPolarHBondContact O-CB 3.48Å; H46-S49 PolarHBondContact O-N 3.24Å; H46-S49 PolarHBondContact O-OG 2.85Å; Y47-S49 VanDerWaalsContact C-N 3.26Å; Y47-S49 PolarHBondContact O-N 3.32Å; S49-S51 PolarHBondContact O-N 3.24Å; S49-S51 VanDerWaalsContact O-N 3.15Å; S49-C52 PolarHBondContact O-N 3.47Å; S49-C52 VanDerWaalsContact O-N 3.09Å; S49-C52 WeakPolarHBondContact OG-CB 3.22Å; S49-C52 PolarHBondContact OG-N 2.87Å; S49-C52 PolarHBondContact OG-SG 3.34Å; S49-V53 WeakPolarHBondContact O-CG2 3.45Å; S49-V53 PolarHBondContact O-N 2.89Å
50K89.6Confident91.7Very high154 Ų15453.1 Ų53.167%0.6727%0.273SS*.Hα-helixtrans-53.7-40.1-177.6-68.3-178.9-177.4171.50112.3V53 I54K50-V53 PolarHBondContact O-N 3.15Å; K50-I54 WeakPolarHBondContact O-CB 3.16Å; K50-I54 WeakPolarHBondContact O-CD1 3.4Å; K50-I54 WeakPolarHBondContact O-CG1 3.4Å; K50-I54 PolarHBondContact O-N 3.4Å
51S92.5Very high91.9Very high93 Ų9357.7 Ų57.765%0.6530%0.296SS*.Hα-helixtrans-64.3-44.7179.6-51.10000112.3S49 V53 I54 L55S49-S51 PolarHBondContact O-N 3.24Å; S49-S51 VanDerWaalsContact O-N 3.15Å; S51-V53 VanDerWaalsContact C-N 3.33Å; S51-V53 PolarHBondContact O-N 3.46Å; S51-I54 PolarHBondContact O-N 3.26Å; S51-L55 WeakPolarHBondContact O-CB 3.49Å; S51-L55 PolarHBondContact O-N 3.39Å
52C92.6Very high92.3Very high24 Ų2460.7 Ų60.716%0.16231%0.311CS..Hα-helixtrans-67.1-33.5178.1-69.20000112.8H46 Y47 S49 Y56 R101H46-C52 PolarHBondContact O-SG 3.14Å; Y47-C52 WeakPolarHBondContact O-CB 3.27Å; S49-C52 PolarHBondContact O-N 3.47Å; S49-C52 VanDerWaalsContact O-N 3.09Å; S49-C52 WeakPolarHBondContact OG-CB 3.22Å; S49-C52 PolarHBondContact OG-N 2.87Å; S49-C52 PolarHBondContact OG-SG 3.34Å; C52-Y56 PolarHBondContact O-N 3.26Å; C52-R101 PolarHBondContact O-NH1 3.18Å; C52-R101 VanDerWaalsContact O-NH1 3.08Å; C52-R101 PolarHBondContact O-NH2 3.05Å
53V91.9Very high92.5Very high33 Ų3355.4 Ų55.420%0.229%0.286CS..Hα-helixtrans-73.6-40.2174.7176.90000111.3S49 K50 S51 Y56 F57S49-V53 WeakPolarHBondContact O-CG2 3.45Å; S49-V53 PolarHBondContact O-N 2.89Å; K50-V53 PolarHBondContact O-N 3.15Å; S51-V53 VanDerWaalsContact C-N 3.33Å; S51-V53 PolarHBondContact O-N 3.46Å; V53-Y56 VanDerWaalsContact O-CB 3.3Å; V53-Y56 WeakPolarHBondContact O-CB 3.28Å; V53-Y56 PolarHBondContact O-N 3.36Å; V53-F57 HydrophobicContact CG1-CD2 3.84Å; V53-F57 HydrophobicContact CG1-CE2 3.53Å; V53-F57 WeakPolarHBondContact O-CD2 3.3Å; V53-F57 PolarHBondContact O-N 2.97Å
54I93.7Very high92.8Very high112 Ų11253.7 Ų53.757%0.57428%0.277SS*.Hα-helixtrans-63.2-44.2174.5-70.7164000110.6K50 S51 Y56 F57 L58K50-I54 WeakPolarHBondContact O-CB 3.16Å; K50-I54 WeakPolarHBondContact O-CD1 3.4Å; K50-I54 WeakPolarHBondContact O-CG1 3.4Å; K50-I54 PolarHBondContact O-N 3.4Å; S51-I54 PolarHBondContact O-N 3.26Å; I54-Y56 VanDerWaalsContact C-N 3.3Å; I54-Y56 PolarHBondContact O-N 3.24Å; I54-F57 PolarHBondContact O-N 3.28Å; I54-L58 WeakPolarHBondContact O-CB 3.33Å; I54-L58 PolarHBondContact O-N 2.9Å
55L94.2Very high92.9Very high76 Ų7656.1 Ų56.140%0.39829%0.294SS..Hα-helixtrans-60.3-39.8178.3-178.661.4000112.2S51 L58 L59 Y97S51-L55 WeakPolarHBondContact O-CB 3.49Å; S51-L55 PolarHBondContact O-N 3.39Å; L55-L58 PolarHBondContact O-N 3.11Å; L55-L59 HydrophobicContact CD1-CD1 3.99Å; L55-L59 HydrophobicContact CD1-CG 4.15Å; L55-L59 HydrophobicContact CG-CD1 4.05Å; L55-L59 WeakPolarHBondContact O-CB 3.5Å; L55-L59 WeakPolarHBondContact O-CG 3.24Å; L55-L59 PolarHBondContact O-N 3.18Å; L55-Y97 HydrophobicContact CD2-CE2 3.68Å; L55-Y97 HydrophobicContact CG-CE2 4.13Å
56Y94Very high93.1Very high0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-55.4-54.6173.3175.8-121.4000112.8C52 V53 I54 L58 L59 T60 F98 R101 F163 E165 N166C52-Y56 PolarHBondContact O-N 3.26Å; V53-Y56 VanDerWaalsContact O-CB 3.3Å; V53-Y56 WeakPolarHBondContact O-CB 3.28Å; V53-Y56 PolarHBondContact O-N 3.36Å; I54-Y56 VanDerWaalsContact C-N 3.3Å; I54-Y56 PolarHBondContact O-N 3.24Å; Y56-L58 VanDerWaalsContact C-N 3.31Å; Y56-L58 PolarHBondContact O-N 2.98Å; Y56-L59 PolarHBondContact O-N 3.1Å; Y56-T60 WeakPolarHBondContact CE2-OG1 3.45Å; Y56-T60 WeakPolarHBondContact O-CB 3.3Å; Y56-T60 PolarHBondContact O-N 3.23Å; Y56-T60 PolarHBondContact O-OG1 3.26Å; Y56-F98 HydrophobicContact CD2-CE1 4.29Å; Y56-F98 HydrophobicContact CE2-CD1 4.49Å; Y56-F98 HydrophobicContact CE2-CE1 4.13Å; Y56-R101 VanDerWaalsContact CB-CZ 3.43Å; Y56-R101 VanDerWaalsContact CB-NH1 3.3Å; Y56-F163 HydrophobicContact CE1-CB 4.46Å; Y56-F163 HydrophobicContact CE2-CB 4.15Å; Y56-F163 HydrophobicContact CE2-CD1 4.14Å; Y56-F163 AromaticContact CE2-CD2 3.55Å; Y56-F163 HydrophobicContact CE2-CD2 3.55Å; Y56-F163 HydrophobicContact CE2-CE1 4.48Å; Y56-F163 AromaticContact CE2-CE2 3.93Å; Y56-F163 HydrophobicContact CE2-CE2 3.93Å; Y56-F163 AromaticContact CE2-CG 3.68Å; Y56-F163 HydrophobicContact CE2-CG 3.68Å; Y56-F163 HydrophobicContact CE2-CZ 4.38Å; Y56-F163 AromaticContact CZ-CD2 3.77Å; Y56-F163 AromaticContact CZ-CG 3.77Å; Y56-F163 VanDerWaalsContact OH-CB 3.27Å; Y56-F163 WeakPolarHBondContact OH-CB 3.44Å; Y56-F163 VanDerWaalsContact OH-CD2 3.25Å; Y56-F163 WeakPolarHBondContact OH-CD2 3.46Å; Y56-F163 WeakPolarHBondContact OH-CG 3.44Å; Y56-E165 HydrophobicContact CD1-CB 4.33Å; Y56-E165 HydrophobicContact CD1-CG 4.37Å; Y56-E165 HydrophobicContact CE1-CB 4.18Å; Y56-N166 PolarHBondContact OH-ND2 3.02Å; Y56-N166 VanDerWaalsContact OH-ND2 3.08Å
57F93.6Very high93.2Very high78 Ų7849.1 Ų49.134%0.34226%0.262SS..Hα-helixtrans-65.2-40.4-176.5-76.6-61.3000110.5V53 I54 T60 I61 E165 N166V53-F57 HydrophobicContact CG1-CD2 3.84Å; V53-F57 HydrophobicContact CG1-CE2 3.53Å; V53-F57 WeakPolarHBondContact O-CD2 3.3Å; V53-F57 PolarHBondContact O-N 2.97Å; I54-F57 PolarHBondContact O-N 3.28Å; F57-T60 PolarHBondContact O-N 3.4Å; F57-I61 WeakPolarHBondContact O-CB 3.29Å; F57-I61 VanDerWaalsContact O-CG1 3.25Å; F57-I61 WeakPolarHBondContact O-CG1 3.35Å; F57-I61 PolarHBondContact O-N 2.99Å; F57-E165 HydrophobicContact CZ-CB 4.36Å; F57-N166 VanDerWaalsContact CE1-OD1 3.23Å; F57-N166 WeakPolarHBondContact CE1-OD1 3.32Å
58L95Very high93.2Very high88 Ų8850.6 Ų50.646%0.46127%0.27SS..Hα-helixtrans-59.7-50.8175.3-176.9147.1000111.8I54 L55 Y56 T60 I61 I62I54-L58 WeakPolarHBondContact O-CB 3.33Å; I54-L58 PolarHBondContact O-N 2.9Å; L55-L58 PolarHBondContact O-N 3.11Å; Y56-L58 VanDerWaalsContact C-N 3.31Å; Y56-L58 PolarHBondContact O-N 2.98Å; L58-T60 VanDerWaalsContact C-N 3.29Å; L58-T60 PolarHBondContact O-N 3.11Å; L58-I61 PolarHBondContact O-N 2.71Å; L58-I62 HydrophobicContact CD2-CD1 3.5Å; L58-I62 HydrophobicContact CD2-CG1 4.45Å; L58-I62 HydrophobicContact CG-CD1 4.33Å; L58-I62 WeakPolarHBondContact O-CG1 3.15Å; L58-I62 PolarHBondContact O-N 2.87Å
59L95.2Very high93.3Very high31 Ų3151.6 Ų51.616%0.16228%0.277CS..Hα-helixtrans-66.5-32.2178.6-72.3173.6000112.4L55 Y56 I62 N63 Y97L55-L59 HydrophobicContact CD1-CD1 3.99Å; L55-L59 HydrophobicContact CD1-CG 4.15Å; L55-L59 HydrophobicContact CG-CD1 4.05Å; L55-L59 WeakPolarHBondContact O-CB 3.5Å; L55-L59 WeakPolarHBondContact O-CG 3.24Å; L55-L59 PolarHBondContact O-N 3.18Å; Y56-L59 PolarHBondContact O-N 3.1Å; L59-I62 HydrophobicContact CD2-CD1 4.47Å; L59-I62 PolarHBondContact O-N 2.78Å; L59-N63 WeakPolarHBondContact O-CB 3.21Å; L59-N63 PolarHBondContact O-N 2.9Å; L59-Y97 HydrophobicContact CB-CD1 4.42Å; L59-Y97 HydrophobicContact CD1-CD1 3.31Å; L59-Y97 HydrophobicContact CD1-CD2 3.65Å; L59-Y97 HydrophobicContact CD1-CE1 3.67Å; L59-Y97 HydrophobicContact CD1-CE2 3.98Å; L59-Y97 HydrophobicContact CD1-CG 3.28Å; L59-Y97 HydrophobicContact CG-CD1 4.49Å
60T93.8Very high93.2Very high5 Ų550.3 Ų50.33%0.03127%0.267CS..Hα-helixtrans-68.2-42.7174.3-52.50000111.7Y56 F57 L58 I62 N63 L64 L160Y56-T60 WeakPolarHBondContact CE2-OG1 3.45Å; Y56-T60 WeakPolarHBondContact O-CB 3.3Å; Y56-T60 PolarHBondContact O-N 3.23Å; Y56-T60 PolarHBondContact O-OG1 3.26Å; F57-T60 PolarHBondContact O-N 3.4Å; L58-T60 VanDerWaalsContact C-N 3.29Å; L58-T60 PolarHBondContact O-N 3.11Å; T60-I62 VanDerWaalsContact C-N 3.32Å; T60-I62 PolarHBondContact O-N 3.46Å; T60-N63 PolarHBondContact O-N 3.31Å; T60-L64 HydrophobicContact CG2-CD1 4.2Å; T60-L64 VanDerWaalsContact O-CG 3.31Å; T60-L64 WeakPolarHBondContact O-CG 3.24Å; T60-L64 PolarHBondContact O-N 3.4Å; T60-L160 HydrophobicContact CG2-CD2 3.48Å; T60-L160 VanDerWaalsContact CG2-CD2 3.48Å; T60-L160 HydrophobicContact CG2-CG 3.97Å
61I94.4Very high93.1Very high108 Ų10848.5 Ų48.555%0.55426%0.257SS*.Hα-helixtrans-61-43.5173.9-70.7165.3000110.3F57 L58 L64 S65F57-I61 WeakPolarHBondContact O-CB 3.29Å; F57-I61 VanDerWaalsContact O-CG1 3.25Å; F57-I61 WeakPolarHBondContact O-CG1 3.35Å; F57-I61 PolarHBondContact O-N 2.99Å; L58-I61 PolarHBondContact O-N 2.71Å; I61-L64 PolarHBondContact O-N 3.29Å; I61-S65 VanDerWaalsContact O-CB 3.28Å; I61-S65 WeakPolarHBondContact O-CB 3.47Å; I61-S65 PolarHBondContact O-N 3.45Å; I61-S65 PolarHBondContact O-OG 3.42Å
62I95.2Very high92.9Very high67 Ų6744.4 Ų44.434%0.34423%0.228SC..Hα-helixtrans-60.2-50.1176.1-69.7172.4000110.6L58 L59 T60 L64 S65 T66 I90L58-I62 HydrophobicContact CD2-CD1 3.5Å; L58-I62 HydrophobicContact CD2-CG1 4.45Å; L58-I62 HydrophobicContact CG-CD1 4.33Å; L58-I62 WeakPolarHBondContact O-CG1 3.15Å; L58-I62 PolarHBondContact O-N 2.87Å; L59-I62 HydrophobicContact CD2-CD1 4.47Å; L59-I62 PolarHBondContact O-N 2.78Å; T60-I62 VanDerWaalsContact C-N 3.32Å; T60-I62 PolarHBondContact O-N 3.46Å; I62-L64 VanDerWaalsContact C-N 3.29Å; I62-L64 PolarHBondContact O-N 2.78Å; I62-S65 PolarHBondContact O-N 3.28Å; I62-S65 VanDerWaalsContact O-N 3.08Å; I62-T66 WeakPolarHBondContact O-CG2 3.44Å; I62-T66 PolarHBondContact O-N 2.77Å; I62-T66 VanDerWaalsContact O-N 3.13Å; I62-I90 HydrophobicContact CG2-CG2 3.48Å; I62-I90 VanDerWaalsContact CG2-CG2 3.48Å
63N94.5Very high92.5Very high1 Ų143.5 Ų43.51%0.00522%0.223CC..Hα-helixtrans-60.2-34.9179.3-17639.9000113.4L59 T60 T66 N91 C94 F98L59-N63 WeakPolarHBondContact O-CB 3.21Å; L59-N63 PolarHBondContact O-N 2.9Å; T60-N63 PolarHBondContact O-N 3.31Å; N63-T66 PolarHBondContact O-OG1 3.21Å; N63-N91 PolarHBondContact OD1-OD1 3.46Å; N63-C94 HydrophobicContact CB-CB 3.92Å; N63-F98 HydrophobicContact CB-CE2 4.21Å; N63-F98 HydrophobicContact CB-CZ 4.37Å
64L94.8Very high92.3Very high34 Ų3444 Ų4418%0.17822%0.224CC..Hα-helixtrans-76.3-34.4174.8-66.8173.9000111.9T60 I61 I62 T66 I67 R156 P157 L160 Y543T60-L64 HydrophobicContact CG2-CD1 4.2Å; T60-L64 VanDerWaalsContact O-CG 3.31Å; T60-L64 WeakPolarHBondContact O-CG 3.24Å; T60-L64 PolarHBondContact O-N 3.4Å; I61-L64 PolarHBondContact O-N 3.29Å; I62-L64 VanDerWaalsContact C-N 3.29Å; I62-L64 PolarHBondContact O-N 2.78Å; L64-T66 VanDerWaalsContact C-N 3.26Å; L64-T66 PolarHBondContact O-N 3.02Å; L64-I67 WeakPolarHBondContact O-CG2 3.25Å; L64-R156 HydrophobicContact CD2-CB 3.93Å; L64-P157 HydrophobicContact CD2-CB 4.07Å; L64-P157 HydrophobicContact CD2-CG 3.83Å; L64-L160 HydrophobicContact CD1-CD1 3.97Å; L64-Y543 HydrophobicContact CB-CE2 4.32Å; L64-Y543 HydrophobicContact CD2-CE2 4.07Å; L64-Y543 WeakPolarHBondContact O-CE2 3.36Å; L64-Y543 PolarHBondContact O-OH 2.76Å
65S93.5Very high92.1Very high52 Ų5242.4 Ų42.436%0.36422%0.216SC..Hα-helixtrans-73.5-16.1-179.1-57.50000113.2I61 I62 I67 I68I61-S65 VanDerWaalsContact O-CB 3.28Å; I61-S65 WeakPolarHBondContact O-CB 3.47Å; I61-S65 PolarHBondContact O-N 3.45Å; I61-S65 PolarHBondContact O-OG 3.42Å; I62-S65 PolarHBondContact O-N 3.28Å; I62-S65 VanDerWaalsContact O-N 3.08Å; S65-I67 PolarHBondContact O-N 3.5Å; S65-I67 VanDerWaalsContact O-N 3.17Å; S65-I68 VanDerWaalsContact O-CB 3.3Å; S65-I68 WeakPolarHBondContact O-CB 3.2Å; S65-I68 WeakPolarHBondContact O-CG1 3.45Å; S65-I68 PolarHBondContact O-N 2.94Å; S65-I68 VanDerWaalsContact O-N 3.08Å
66T93Very high91.6Very high2 Ų244 Ų441%0.01222%0.217CC..G310 helixtrans-62.8-21.3178.256.20000113.3I62 N63 L64 I68 L69 E70 I90 N91 R156I62-T66 WeakPolarHBondContact O-CG2 3.44Å; I62-T66 PolarHBondContact O-N 2.77Å; I62-T66 VanDerWaalsContact O-N 3.13Å; N63-T66 PolarHBondContact O-OG1 3.21Å; L64-T66 VanDerWaalsContact C-N 3.26Å; L64-T66 PolarHBondContact O-N 3.02Å; T66-I68 PolarHBondContact O-N 2.98Å; T66-L69 PolarHBondContact O-N 3.02Å; T66-E70 WeakPolarHBondContact O-CG 3.42Å; T66-E70 PolarHBondContact O-N 3.48Å; T66-I90 HydrophobicContact CG2-CB 4.09Å; T66-I90 HydrophobicContact CG2-CG2 3.55Å; T66-N91 VanDerWaalsContact CB-OD1 3.22Å; T66-N91 WeakPolarHBondContact CB-OD1 3.29Å; T66-N91 WeakPolarHBondContact CG2-OD1 3.22Å; T66-N91 PolarHBondContact OG1-OD1 2.71Å; T66-R156 PolarHBondContact OG1-NH1 2.96Å
67I92.6Very high91.2Very high8 Ų848.4 Ų48.44%0.04124%0.24CC..G310 helixtrans-56.8-30.6173-157.5-179.7000112.6L64 S65 L69 E70 Y543 C547 M550 P594L64-I67 WeakPolarHBondContact O-CG2 3.25Å; S65-I67 PolarHBondContact O-N 3.5Å; S65-I67 VanDerWaalsContact O-N 3.17Å; I67-L69 PolarHBondContact O-N 2.85Å; I67-E70 PolarHBondContact O-N 3.07Å; I67-Y543 HydrophobicContact CB-CE2 4.3Å; I67-Y543 HydrophobicContact CD1-CE1 4.09Å; I67-Y543 HydrophobicContact CD1-CE2 4.08Å; I67-Y543 HydrophobicContact CG2-CE2 3.93Å; I67-C547 VanDerWaalsContact CD1-SG 3.55Å; I67-M550 HydrophobicContact CD1-CE 3.62Å; I67-M550 HydrophobicContact CG1-CE 4.05Å; I67-P594 HydrophobicContact CB-CG 4.45Å; I67-P594 HydrophobicContact CD1-CB 4.44Å; I67-P594 HydrophobicContact CD1-CG 4.33Å; I67-P594 HydrophobicContact CG1-CB 4.46Å; I67-P594 HydrophobicContact CG1-CG 3.92Å; I67-P594 HydrophobicContact CG2-CB 4.09Å; I67-P594 HydrophobicContact CG2-CG 4.15Å; I67-P594 WeakPolarHBondContact O-CG 3.24Å
68I92.8Very high90.7Very high38 Ų3852.5 Ų52.520%0.19527%0.265CS..G310 helixtrans-65.2-31.8178.8-59.5170.2000111S65 T66 N74 I75 F595S65-I68 VanDerWaalsContact O-CB 3.3Å; S65-I68 WeakPolarHBondContact O-CB 3.2Å; S65-I68 WeakPolarHBondContact O-CG1 3.45Å; S65-I68 PolarHBondContact O-N 2.94Å; S65-I68 VanDerWaalsContact O-N 3.08Å; T66-I68 PolarHBondContact O-N 2.98Å; I68-N74 HydrophobicContact CG2-CB 3.95Å; I68-N74 PolarHBondContact O-N 3.26Å; I68-I75 HydrophobicContact CG2-CD1 3.95Å; I68-I75 HydrophobicContact CG2-CG1 4.17Å; I68-F595 HydrophobicContact CD1-CE1 3.92Å; I68-F595 HydrophobicContact CD1-CZ 3.67Å; I68-F595 HydrophobicContact CG1-CE1 4.17Å; I68-F595 HydrophobicContact CG1-CZ 4.07Å; I68-F595 HydrophobicContact CG2-CE2 4.45Å; I68-F595 HydrophobicContact CG2-CZ 4.35Å
69L91.6Very high90.1Very high47 Ų4751.2 Ų51.225%0.24627%0.273CS..THydrogen-bonded Turntrans-91.6-24.8-178.8-61.5172.4000112.8T66 I67 I75 V82 P87 I90T66-L69 PolarHBondContact O-N 3.02Å; I67-L69 PolarHBondContact O-N 2.85Å; L69-I75 HydrophobicContact CD2-CB 4.48Å; L69-I75 HydrophobicContact CD2-CD1 3.74Å; L69-V82 HydrophobicContact CD2-CG2 4.41Å; L69-P87 HydrophobicContact CB-CB 4.18Å; L69-I90 HydrophobicContact CD1-CD1 4.35Å
70E89.7Confident89.6Confident5 Ų557 Ų572%0.02330%0.297CS..SBendtrans-78.3142.4-178-74.3-178.5-141.900111.9T66 I67 P72 G73 P87 N91 R150 R153 R156T66-E70 WeakPolarHBondContact O-CG 3.42Å; T66-E70 PolarHBondContact O-N 3.48Å; I67-E70 PolarHBondContact O-N 3.07Å; E70-P72 CarbonylContact O-C 3.37Å; E70-P72 VanDerWaalsContact O-O 3.08Å; E70-G73 WeakPolarHBondContact O-CA 3.49Å; E70-G73 PolarHBondContact O-N 3.31Å; E70-P87 HydrophobicContact CG-CB 3.52Å; E70-P87 HydrophobicContact CG-CG 3.72Å; E70-N91 PolarHBondContact OE1-ND2 2.9Å; E70-R150 IonicContact OE1-CZ 3.92Å; E70-R150 IonicContact OE1-NH1 3.49Å; E70-R150 PolarHBondContact OE1-NH1 3.39Å; E70-R150 VanDerWaalsContact OE1-NH1 3.13Å; E70-R150 VanDerWaalsContact OE2-CD 3.27Å; E70-R150 WeakPolarHBondContact OE2-CD 3.36Å; E70-R150 IonicContact OE2-CZ 4Å; E70-R150 IonicContact OE2-NE 3.84Å; E70-R150 IonicContact OE2-NH1 2.74Å; E70-R150 PolarHBondContact OE2-NH1 2.82Å; E70-R153 IonicContact OE2-CZ 3.7Å; E70-R153 IonicContact OE2-NE 2.68Å; E70-R153 PolarHBondContact OE2-NE 3.19Å; E70-R153 IonicContact OE2-NH2 3.73Å; E70-R153 PolarHBondContact OE2-NH2 2.97Å; E70-R156 IonicContact OE1-CZ 3.06Å; E70-R156 IonicContact OE1-NH1 3.65Å; E70-R156 PolarHBondContact OE1-NH1 3.16Å; E70-R156 IonicContact OE1-NH2 2.62Å; E70-R156 PolarHBondContact OE1-NH2 3.18Å; E70-R156 IonicContact OE2-NH2 2.88Å; E70-R156 PolarHBondContact OE2-NH2 3.17Å
71Y87.3Confident89.3Confident117 Ų11759.5 Ų59.546%0.45931%0.314SS..SBendtrans-72.5132.8175.7-178.1-96.2000111.9W76 P81 R153 F555Y71-W76 HydrophobicContact CE2-CH2 4.02Å; Y71-W76 HydrophobicContact CE2-CZ2 4.26Å; Y71-P81 HydrophobicContact CD2-CB 3.84Å; Y71-P81 HydrophobicContact CD2-CG 4.25Å; Y71-R153 VanDerWaalsContact O-CZ 3.26Å; Y71-R153 PolarHBondContact O-NH1 3.19Å; Y71-R153 PolarHBondContact O-NH2 3.36Å; Y71-F555 HydrophobicContact CE2-CE2 4.08Å
72P88.1Confident89.1Confident6 Ų655 Ų554%0.03929%0.291CS..SBendcis-73.7122.4-5.131.2-34.3000111.3E70 M550 A554 F555 P594E70-P72 CarbonylContact O-C 3.37Å; E70-P72 VanDerWaalsContact O-O 3.08Å; P72-M550 HydrophobicContact CG-CB 3.77Å; P72-M550 HydrophobicContact CG-CG 4.19Å; P72-M550 HydrophobicContact CG-SD 4.06Å; P72-A554 HydrophobicContact CB-CB 4.33Å; P72-A554 HydrophobicContact CG-CB 4.05Å; P72-F555 HydrophobicContact CB-CE2 3.89Å; P72-F555 HydrophobicContact CB-CZ 4.3Å; P72-P594 WeakPolarHBondContact O-CD 3.39Å
73G84.6Confident88.8Confident5 Ų554.3 Ų54.35%0.05229%0.291CS..  trans-117.9163.1-169.600000112.3E70 W76E70-G73 WeakPolarHBondContact O-CA 3.49Å; E70-G73 PolarHBondContact O-N 3.31Å; G73-W76 PolarHBondContact O-NE1 3.44Å
74N87.4Confident88.5Confident43 Ų4356.5 Ų56.523%0.2330%0.299CS..SBendtrans-77.1-31.6175.3-76.297.9000112.4I68 S593 P594 F595I68-N74 HydrophobicContact CG2-CB 3.95Å; I68-N74 PolarHBondContact O-N 3.26Å; N74-S593 VanDerWaalsContact ND2-CB 3.25Å; N74-S593 WeakPolarHBondContact ND2-CB 3.26Å; N74-S593 PolarHBondContact ND2-OG 3.42Å; N74-P594 WeakPolarHBondContact OD1-CD 3.43Å; N74-F595 HydrophobicContact CB-CD2 4.09Å; N74-F595 HydrophobicContact CB-CE2 4.27Å; N74-F595 VanDerWaalsContact ND2-CD2 3.28Å; N74-F595 WeakPolarHBondContact ND2-CD2 3.44Å; N74-F595 PolarHBondContact OD1-N 2.63Å
75I88.1Confident88.2Confident80 Ų8061 Ų6141%0.4132%0.315SS..  trans-95.6121.7-173.4-63.8170.7000109.9I68 L69 V82I68-I75 HydrophobicContact CG2-CD1 3.95Å; I68-I75 HydrophobicContact CG2-CG1 4.17Å; L69-I75 HydrophobicContact CD2-CB 4.48Å; L69-I75 HydrophobicContact CD2-CD1 3.74Å; I75-V82 HydrophobicContact CB-CG2 4.42Å; I75-V82 HydrophobicContact CG2-CG2 4.12Å
76W84.5Confident88.2Confident109 Ų10961.6 Ų61.641%0.41331%0.313SS..EExtended strand (participates in β ladder)trans-120124.2176.4-66.868.9000109Y71 G73 K80 F555Y71-W76 HydrophobicContact CE2-CH2 4.02Å; Y71-W76 HydrophobicContact CE2-CZ2 4.26Å; G73-W76 PolarHBondContact O-NE1 3.44Å; W76-K80 CarbonylContact C-O 3.48Å; W76-K80 WeakPolarHBondContact CA-O 3.19Å; W76-F555 HydrophobicContact CH2-CZ 4.43Å; W76-F555 AromaticContact CZ2-CZ 3.91Å; W76-F555 HydrophobicContact CZ2-CZ 3.91Å
77I85.3Confident88.1Confident93 Ų9361.7 Ų61.748%0.47731%0.314SS..EExtended strand (participates in β ladder)trans-98.4115.1178.8-58.6172.6000107.2G79 K80 V82I77-G79 PolarHBondContact O-N 3.41Å; I77-K80 PolarHBondContact N-O 3.45Å; I77-K80 PolarHBondContact O-N 3.12Å; I77-V82 HydrophobicContact CD1-CG2 4.11Å; I77-V82 HydrophobicContact CG1-CG2 4.38Å
78N84.5Confident88.1Confident163 Ų16361.7 Ų61.787%0.87231%0.314SS*.THydrogen-bonded Turntrans52.939.1-177.7-59.6-17000113.5K80N78-K80 PolarHBondContact O-N 2.92Å
79G81.7Confident88.1Confident61 Ų6163.7 Ų63.763%0.62933%0.327SS*.THydrogen-bonded Turntrans72.89.1-178.700000114.8I77I77-G79 PolarHBondContact O-N 3.41Å
80K85.1Confident88.3Confident153 Ų15363.8 Ų63.867%0.66533%0.328SS*.EExtended strand (participates in β ladder)trans-113148.7173.5-64.7-174.8-179-178.40110.8W76 I77 N78W76-K80 CarbonylContact C-O 3.48Å; W76-K80 WeakPolarHBondContact CA-O 3.19Å; I77-K80 PolarHBondContact N-O 3.45Å; I77-K80 PolarHBondContact O-N 3.12Å; N78-K80 PolarHBondContact O-N 2.92Å
81P86.9Confident88.4Confident58 Ų5863.6 Ų63.638%0.37733%0.327SS..EExtended strand (participates in β ladder)trans-64.5154.517428.8-35000110.9Y71Y71-P81 HydrophobicContact CD2-CB 3.84Å; Y71-P81 HydrophobicContact CD2-CG 4.25Å
82V89.2Confident88.7Confident14 Ų1461 Ų619%0.08532%0.321CS..PPolyproline II helixtrans-59.6136.8175179.70000109.4L69 I75 I77 Y84 I86L69-V82 HydrophobicContact CD2-CG2 4.41Å; I75-V82 HydrophobicContact CB-CG2 4.42Å; I75-V82 HydrophobicContact CG2-CG2 4.12Å; I77-V82 HydrophobicContact CD1-CG2 4.11Å; I77-V82 HydrophobicContact CG1-CG2 4.38Å; V82-Y84 PolarHBondContact O-N 2.91Å; V82-I86 HydrophobicContact CG1-CB 4.18Å; V82-I86 HydrophobicContact CG1-CD1 3.91Å
83P89.4Confident89Confident51 Ų5166.3 Ų66.333%0.33135%0.348SS..PPolyproline II helixtrans-55.6132.9177-24.832.4000112.4Y85 I86 P87P83-Y85 HydrophobicContact CB-CD1 3.75Å; P83-Y85 HydrophobicContact CB-CE1 3.18Å; P83-Y85 HydrophobicContact CB-CE2 4.29Å; P83-Y85 HydrophobicContact CB-CG 4.5Å; P83-Y85 VanDerWaalsContact CB-CZ 3.48Å; P83-Y85 HydrophobicContact CG-CE1 4.14Å; P83-Y85 PolarHBondContact O-N 3.26Å; P83-Y85 VanDerWaalsContact O-N 3.11Å; P83-I86 HydrophobicContact CB-CD1 4.46Å; P83-I86 HydrophobicContact CG-CD1 4.36Å; P83-I86 PolarHBondContact O-N 2.98Å; P83-I86 VanDerWaalsContact O-N 3.13Å; P83-P87 WeakPolarHBondContact O-CD 3.15Å
84Y88.1Confident89.5Confident48 Ų4866.2 Ų66.219%0.18835%0.346CS..THydrogen-bonded Turntrans-58.4-30.1-169.976-82.9000114.6V82 I86 P87 L88 Y137 H141 E142V82-Y84 PolarHBondContact O-N 2.91Å; Y84-I86 VanDerWaalsContact C-N 3.26Å; Y84-I86 PolarHBondContact O-N 3.28Å; Y84-P87 WeakPolarHBondContact O-CD 3.42Å; Y84-P87 WeakPolarHBondContact O-CG 3.15Å; Y84-L88 HydrophobicContact CD2-CD2 4.29Å; Y84-L88 HydrophobicContact CE2-CD2 4.35Å; Y84-L88 VanDerWaalsContact O-CB 3.26Å; Y84-L88 WeakPolarHBondContact O-CB 3.38Å; Y84-L88 PolarHBondContact O-N 3.27Å; Y84-Y137 HydrophobicContact CD2-CD1 4.42Å; Y84-Y137 AromaticContact CD2-CE1 3.88Å; Y84-Y137 HydrophobicContact CD2-CE1 3.88Å; Y84-Y137 HydrophobicContact CG-CE1 4.26Å; Y84-H141 AromaticContact CD1-CD2 3.39Å; Y84-H141 WeakPolarHBondContact CD1-CD2 3.31Å; Y84-H141 AromaticContact CD1-CE1 3.52Å; Y84-H141 AromaticContact CD1-CG 3.79Å; Y84-H141 AromaticContact CD1-ND1 3.85Å; Y84-H141 AromaticContact CD1-NE2 3.2Å; Y84-H141 WeakPolarHBondContact CD1-NE2 3.25Å; Y84-H141 HydrophobicContact CE1-CB 4.45Å; Y84-H141 AromaticContact CE1-CD2 3.66Å; Y84-H141 AromaticContact CE1-CE1 3.26Å; Y84-H141 WeakPolarHBondContact CE1-CE1 3.4Å; Y84-H141 AromaticContact CE1-CG 3.54Å; Y84-H141 AromaticContact CE1-ND1 3.29Å; Y84-H141 VanDerWaalsContact CE1-ND1 3.29Å; Y84-H141 WeakPolarHBondContact CE1-ND1 3.48Å; Y84-H141 AromaticContact CE1-NE2 3.49Å; Y84-H141 WeakPolarHBondContact CE1-NE2 3.25Å; Y84-H141 HydrophobicContact CE2-CB 4.26Å; Y84-H141 AromaticContact CG-CD2 3.74Å; Y84-H141 AromaticContact CG-NE2 3.98Å; Y84-H141 AromaticContact CZ-CG 3.71Å; Y84-H141 AromaticContact CZ-ND1 3.67Å; Y84-E142 PolarHBondContact OH-OE1 2.91Å
85Y89.7Confident89.8Confident128 Ų12864.3 Ų64.350%0.50234%0.336SS..Hα-helixtrans-66.2-27-178.158.3-99.2000112.7P83 V89P83-Y85 HydrophobicContact CB-CD1 3.75Å; P83-Y85 HydrophobicContact CB-CE1 3.18Å; P83-Y85 HydrophobicContact CB-CE2 4.29Å; P83-Y85 HydrophobicContact CB-CG 4.5Å; P83-Y85 VanDerWaalsContact CB-CZ 3.48Å; P83-Y85 HydrophobicContact CG-CE1 4.14Å; P83-Y85 PolarHBondContact O-N 3.26Å; P83-Y85 VanDerWaalsContact O-N 3.11Å; Y85-V89 WeakPolarHBondContact O-CB 3.32Å; Y85-V89 VanDerWaalsContact O-CG2 3.24Å; Y85-V89 WeakPolarHBondContact O-CG2 3.41Å; Y85-V89 PolarHBondContact O-N 3.27Å
86I91.8Very high90.1Very high65 Ų6564.5 Ų64.533%0.33334%0.344SS..Hα-helixtrans-65.1-60.7-179.1-59.3177.9000111.2V82 P83 Y84 L88 V89 I90V82-I86 HydrophobicContact CG1-CB 4.18Å; V82-I86 HydrophobicContact CG1-CD1 3.91Å; P83-I86 HydrophobicContact CB-CD1 4.46Å; P83-I86 HydrophobicContact CG-CD1 4.36Å; P83-I86 PolarHBondContact O-N 2.98Å; P83-I86 VanDerWaalsContact O-N 3.13Å; Y84-I86 VanDerWaalsContact C-N 3.26Å; Y84-I86 PolarHBondContact O-N 3.28Å; I86-L88 PolarHBondContact O-N 3.47Å; I86-V89 PolarHBondContact O-N 2.89Å; I86-I90 HydrophobicContact CG2-CD1 4.31Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 3.42Å
87P92.3Very high90.6Very high3 Ų361.1 Ų61.12%0.01933%0.331CS..Hα-helixtrans-63.9-31177.124.5-33.3000112.3L69 E70 P83 Y84 I90 N91L69-P87 HydrophobicContact CB-CB 4.18Å; E70-P87 HydrophobicContact CG-CB 3.52Å; E70-P87 HydrophobicContact CG-CG 3.72Å; P83-P87 WeakPolarHBondContact O-CD 3.15Å; Y84-P87 WeakPolarHBondContact O-CD 3.42Å; Y84-P87 WeakPolarHBondContact O-CG 3.15Å; P87-I90 PolarHBondContact O-N 3.44Å; P87-N91 WeakPolarHBondContact O-CB 3.27Å; P87-N91 PolarHBondContact O-N 2.93Å; P87-N91 PolarHBondContact O-ND2 3.49Å
88L92Very high91.1Very high8 Ų856.7 Ų56.74%0.04231%0.309CS..Hα-helixtrans-62.4-47.7177.3-178.667.8000112.5Y84 I86 I90 N91 L92 A134 I138 R150Y84-L88 HydrophobicContact CD2-CD2 4.29Å; Y84-L88 HydrophobicContact CE2-CD2 4.35Å; Y84-L88 VanDerWaalsContact O-CB 3.26Å; Y84-L88 WeakPolarHBondContact O-CB 3.38Å; Y84-L88 PolarHBondContact O-N 3.27Å; I86-L88 PolarHBondContact O-N 3.47Å; L88-I90 VanDerWaalsContact C-N 3.33Å; L88-I90 PolarHBondContact O-N 3.46Å; L88-N91 PolarHBondContact O-N 2.93Å; L88-L92 HydrophobicContact CG-CD1 4.26Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.34Å; L88-A134 HydrophobicContact CD1-CB 3.96Å; L88-I138 HydrophobicContact CD2-CD1 3.86Å; L88-I138 HydrophobicContact CD2-CG1 3.52Å; L88-R150 VanDerWaalsContact CD1-NH2 3.32Å
89V93.6Very high91.5Very high80 Ų8052.8 Ų52.849%0.48528%0.282SS..Hα-helixtrans-62.3-42.2177.6169.20000110.8Y85 I86 N91 L92 L93Y85-V89 WeakPolarHBondContact O-CB 3.32Å; Y85-V89 VanDerWaalsContact O-CG2 3.24Å; Y85-V89 WeakPolarHBondContact O-CG2 3.41Å; Y85-V89 PolarHBondContact O-N 3.27Å; I86-V89 PolarHBondContact O-N 2.89Å; V89-N91 VanDerWaalsContact C-N 3.34Å; V89-N91 PolarHBondContact O-N 2.87Å; V89-L92 PolarHBondContact O-N 2.87Å; V89-L93 HydrophobicContact CG1-CD1 4.2Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 2.92Å
90I94.5Very high92.1Very high50 Ų5056.1 Ų56.126%0.25628%0.277SS..Hα-helixtrans-60.9-45176.9-63.7168.8000110.6I62 T66 L69 I86 P87 L88 L93 C94I62-I90 HydrophobicContact CG2-CG2 3.48Å; I62-I90 VanDerWaalsContact CG2-CG2 3.48Å; T66-I90 HydrophobicContact CG2-CB 4.09Å; T66-I90 HydrophobicContact CG2-CG2 3.55Å; L69-I90 HydrophobicContact CD1-CD1 4.35Å; I86-I90 HydrophobicContact CG2-CD1 4.31Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 3.42Å; P87-I90 PolarHBondContact O-N 3.44Å; L88-I90 VanDerWaalsContact C-N 3.33Å; L88-I90 PolarHBondContact O-N 3.46Å; I90-L93 PolarHBondContact O-N 2.81Å; I90-C94 PolarHBondContact O-N 3.47Å; I90-C94 VanDerWaalsContact O-N 3.1Å; I90-C94 PolarHBondContact O-SG 3.28Å
91N93.2Very high92.4Very high0 Ų049.1 Ų49.10%025%0.246CC..Hα-helixtrans-62.7-45.8177.7-69.9-21.7000111.8N63 T66 E70 P87 L88 V89 L93 C94 E95 R150 R156N63-N91 PolarHBondContact OD1-OD1 3.46Å; T66-N91 VanDerWaalsContact CB-OD1 3.22Å; T66-N91 WeakPolarHBondContact CB-OD1 3.29Å; T66-N91 WeakPolarHBondContact CG2-OD1 3.22Å; T66-N91 PolarHBondContact OG1-OD1 2.71Å; E70-N91 PolarHBondContact OE1-ND2 2.9Å; P87-N91 WeakPolarHBondContact O-CB 3.27Å; P87-N91 PolarHBondContact O-N 2.93Å; P87-N91 PolarHBondContact O-ND2 3.49Å; L88-N91 PolarHBondContact O-N 2.93Å; V89-N91 VanDerWaalsContact C-N 3.34Å; V89-N91 PolarHBondContact O-N 2.87Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-L93 PolarHBondContact O-N 3.23Å; N91-C94 WeakPolarHBondContact O-CB 3.29Å; N91-C94 PolarHBondContact O-N 3.32Å; N91-C94 VanDerWaalsContact O-N 3.13Å; N91-E95 WeakPolarHBondContact O-CG 3.32Å; N91-E95 PolarHBondContact O-N 3.06Å; N91-R150 PolarHBondContact ND2-NH1 3.48Å; N91-R150 PolarHBondContact ND2-NH2 3.25Å; N91-R156 PolarHBondContact ND2-NH2 3.23Å
92L92.5Very high92.5Very high63 Ų6346.7 Ų46.733%0.3323%0.229SC..Hα-helixtrans-61.1-41.2178.8-72.8172.1000111.9L88 V89 C94 E95 C96 A134L88-L92 HydrophobicContact CG-CD1 4.26Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.34Å; V89-L92 PolarHBondContact O-N 2.87Å; L92-C94 VanDerWaalsContact C-N 3.33Å; L92-C94 PolarHBondContact O-N 3.48Å; L92-E95 PolarHBondContact O-N 2.96Å; L92-C96 WeakPolarHBondContact O-CB 3.43Å; L92-C96 PolarHBondContact O-N 3.47Å; L92-C96 PolarHBondContact O-SG 3.34Å; L92-A134 HydrophobicContact CD2-CB 4.42Å
93L95Very high92.6Very high118 Ų11852.8 Ų52.862%0.61825%0.252SS*.Hα-helixtrans-61.5-41.2174.7-71.4173.8000112V89 I90 N91 Y97V89-L93 HydrophobicContact CG1-CD1 4.2Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 2.92Å; I90-L93 PolarHBondContact O-N 2.81Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-L93 PolarHBondContact O-N 3.23Å; L93-Y97 PolarHBondContact O-N 3.18Å
94C95.2Very high92.7Very high2 Ų251.6 Ų51.61%0.01424%0.242CC..Hα-helixtrans-66.6-44175.8-63.50000111.7N63 I90 N91 L92 Y97 F98N63-C94 HydrophobicContact CB-CB 3.92Å; I90-C94 PolarHBondContact O-N 3.47Å; I90-C94 VanDerWaalsContact O-N 3.1Å; I90-C94 PolarHBondContact O-SG 3.28Å; N91-C94 WeakPolarHBondContact O-CB 3.29Å; N91-C94 PolarHBondContact O-N 3.32Å; N91-C94 VanDerWaalsContact O-N 3.13Å; L92-C94 VanDerWaalsContact C-N 3.33Å; L92-C94 PolarHBondContact O-N 3.48Å; C94-Y97 WeakPolarHBondContact O-CB 3.36Å; C94-Y97 PolarHBondContact O-N 2.85Å; C94-F98 HydrophobicContact CB-CE2 4.03Å; C94-F98 HydrophobicContact CB-CZ 4.47Å; C94-F98 WeakPolarHBondContact O-CD2 3.31Å; C94-F98 WeakPolarHBondContact O-CG 3.36Å; C94-F98 PolarHBondContact O-N 3.35Å
95E93.6Very high92.7Very high4 Ų449.5 Ų49.52%0.01923%0.234CC..Hα-helixtrans-60.5-45.2176.6-74.1173.4-159.500111.7N91 L92 Y97 F98 Y99 L127 M130 T131N91-E95 WeakPolarHBondContact O-CG 3.32Å; N91-E95 PolarHBondContact O-N 3.06Å; L92-E95 PolarHBondContact O-N 2.96Å; E95-Y97 VanDerWaalsContact C-N 3.26Å; E95-Y97 PolarHBondContact O-N 2.74Å; E95-F98 PolarHBondContact O-N 3.04Å; E95-Y99 VanDerWaalsContact O-CD2 3.22Å; E95-Y99 WeakPolarHBondContact O-CD2 3.33Å; E95-Y99 PolarHBondContact O-N 3.45Å; E95-L127 HydrophobicContact CG-CD2 4.46Å; E95-M130 HydrophobicContact CG-CE 4Å; E95-M130 VanDerWaalsContact OE1-CE 3.24Å; E95-M130 WeakPolarHBondContact OE1-CE 3.31Å; E95-T131 VanDerWaalsContact OE2-CG2 3.24Å; E95-T131 WeakPolarHBondContact OE2-CG2 3.47Å
96C94.6Very high92.7Very high84 Ų8448 Ų4857%0.56823%0.229SC*.Hα-helixtrans-55.9-41.8174.1-730000111.8L92 Y99 Y100L92-C96 WeakPolarHBondContact O-CB 3.43Å; L92-C96 PolarHBondContact O-N 3.47Å; L92-C96 PolarHBondContact O-SG 3.34Å; C96-Y99 PolarHBondContact O-N 3.38Å; C96-Y100 WeakPolarHBondContact O-CB 3.41Å; C96-Y100 PolarHBondContact O-N 3.28Å
97Y95Very high92.6Very high38 Ų3847.3 Ų47.315%0.14923%0.227CC..Hα-helixtrans-66.2-39.9175.2-179.6-96.7000112.6L55 L59 L93 C94 E95 Y100 R101L55-Y97 HydrophobicContact CD2-CE2 3.68Å; L55-Y97 HydrophobicContact CG-CE2 4.13Å; L59-Y97 HydrophobicContact CB-CD1 4.42Å; L59-Y97 HydrophobicContact CD1-CD1 3.31Å; L59-Y97 HydrophobicContact CD1-CD2 3.65Å; L59-Y97 HydrophobicContact CD1-CE1 3.67Å; L59-Y97 HydrophobicContact CD1-CE2 3.98Å; L59-Y97 HydrophobicContact CD1-CG 3.28Å; L59-Y97 HydrophobicContact CG-CD1 4.49Å; L93-Y97 PolarHBondContact O-N 3.18Å; C94-Y97 WeakPolarHBondContact O-CB 3.36Å; C94-Y97 PolarHBondContact O-N 2.85Å; E95-Y97 VanDerWaalsContact C-N 3.26Å; E95-Y97 PolarHBondContact O-N 2.74Å; Y97-Y100 HydrophobicContact CD2-CD1 4.48Å; Y97-Y100 WeakPolarHBondContact O-CB 3.34Å; Y97-Y100 PolarHBondContact O-N 3.45Å; Y97-R101 WeakPolarHBondContact O-CB 3.34Å; Y97-R101 PolarHBondContact O-N 2.75Å; Y97-R101 PolarHBondContact OH-NH1 3.11Å
98F94.4Very high92.4Very high0 Ų047.1 Ų47.10%023%0.226CC..Hα-helixtrans-64.9-40176.4-63.5-39.3000112.5Y56 N63 C94 E95 R101 W102 L127 L159 F163Y56-F98 HydrophobicContact CD2-CE1 4.29Å; Y56-F98 HydrophobicContact CE2-CD1 4.49Å; Y56-F98 HydrophobicContact CE2-CE1 4.13Å; N63-F98 HydrophobicContact CB-CE2 4.21Å; N63-F98 HydrophobicContact CB-CZ 4.37Å; C94-F98 HydrophobicContact CB-CE2 4.03Å; C94-F98 HydrophobicContact CB-CZ 4.47Å; C94-F98 WeakPolarHBondContact O-CD2 3.31Å; C94-F98 WeakPolarHBondContact O-CG 3.36Å; C94-F98 PolarHBondContact O-N 3.35Å; E95-F98 PolarHBondContact O-N 3.04Å; F98-R101 PolarHBondContact O-N 3.26Å; F98-W102 PolarHBondContact O-N 2.76Å; F98-W102 VanDerWaalsContact O-N 3.11Å; F98-L127 HydrophobicContact CB-CD1 4.08Å; F98-L127 HydrophobicContact CB-CD2 3.97Å; F98-L127 HydrophobicContact CD2-CD2 4.28Å; F98-L159 HydrophobicContact CD2-CD1 4.03Å; F98-L159 HydrophobicContact CE2-CD1 4.18Å; F98-F163 HydrophobicContact CB-CE2 4.4Å; F98-F163 HydrophobicContact CB-CZ 3.9Å; F98-F163 AromaticContact CD1-CE2 3.82Å; F98-F163 HydrophobicContact CD1-CE2 3.82Å; F98-F163 AromaticContact CD1-CZ 3.75Å; F98-F163 HydrophobicContact CD1-CZ 3.75Å; F98-F163 HydrophobicContact CE1-CE2 4.41Å; F98-F163 HydrophobicContact CG-CE2 4.19Å; F98-F163 HydrophobicContact CG-CZ 4.08Å
99Y93.8Very high92.1Very high80 Ų8047 Ų4731%0.31423%0.226SC..Hα-helixtrans-59.9-47.6169.9-82.2-67.5000111.7E95 C96 R101 W102 Y103 L127 S128 T131E95-Y99 VanDerWaalsContact O-CD2 3.22Å; E95-Y99 WeakPolarHBondContact O-CD2 3.33Å; E95-Y99 PolarHBondContact O-N 3.45Å; C96-Y99 PolarHBondContact O-N 3.38Å; Y99-R101 VanDerWaalsContact C-N 3.34Å; Y99-R101 PolarHBondContact O-N 3.29Å; Y99-W102 PolarHBondContact O-N 3.17Å; Y99-Y103 WeakPolarHBondContact O-CB 3.4Å; Y99-Y103 PolarHBondContact O-N 2.94Å; Y99-L127 HydrophobicContact CD1-CD1 4.07Å; Y99-L127 HydrophobicContact CD2-CD1 4.43Å; Y99-L127 HydrophobicContact CE1-CB 3.89Å; Y99-L127 HydrophobicContact CE1-CD1 4.11Å; Y99-L127 HydrophobicContact CE2-CB 3.9Å; Y99-L127 HydrophobicContact CE2-CD1 4.46Å; Y99-L127 HydrophobicContact CG-CD1 4.24Å; Y99-L127 VanDerWaalsContact CZ-CB 3.48Å; Y99-L127 WeakPolarHBondContact OH-CB 3.33Å; Y99-L127 PolarHBondContact OH-O 3.35Å; Y99-S128 PolarHBondContact OH-N 2.95Å; Y99-T131 HydrophobicContact CE2-CG2 3.86Å
100Y93.6Very high91.7Very high132 Ų13246.9 Ų46.952%0.51822%0.22SC..Hα-helixtrans-59.6-43.1177.5172.9-106.2000112.2C96 Y97 W102 Y103 I104C96-Y100 WeakPolarHBondContact O-CB 3.41Å; C96-Y100 PolarHBondContact O-N 3.28Å; Y97-Y100 HydrophobicContact CD2-CD1 4.48Å; Y97-Y100 WeakPolarHBondContact O-CB 3.34Å; Y97-Y100 PolarHBondContact O-N 3.45Å; Y100-W102 PolarHBondContact O-N 3.14Å; Y100-Y103 WeakPolarHBondContact O-CB 3.49Å; Y100-Y103 PolarHBondContact O-N 3.26Å; Y100-Y103 VanDerWaalsContact O-N 3.16Å; Y100-I104 HydrophobicContact CD1-CD1 3.91Å; Y100-I104 HydrophobicContact CE1-CD1 3.33Å; Y100-I104 HydrophobicContact CE1-CG1 4.18Å; Y100-I104 HydrophobicContact CE2-CD1 4.22Å; Y100-I104 HydrophobicContact CE2-CG1 4.22Å; Y100-I104 WeakPolarHBondContact O-CG1 3.27Å; Y100-I104 PolarHBondContact O-N 3.22Å
101R92.6Very high91Very high5 Ų550.3 Ų50.32%0.01923%0.233CC..Hα-helixtrans-61.5-44.6178.6-167.5178.3-163.297-4111.5Y47 C52 Y56 Y97 F98 Y99 Y103 I104 I105 F163 E165Y47-R101 HydrophobicContact CE2-CG 3.64Å; C52-R101 PolarHBondContact O-NH1 3.18Å; C52-R101 VanDerWaalsContact O-NH1 3.08Å; C52-R101 PolarHBondContact O-NH2 3.05Å; Y56-R101 VanDerWaalsContact CB-CZ 3.43Å; Y56-R101 VanDerWaalsContact CB-NH1 3.3Å; Y97-R101 WeakPolarHBondContact O-CB 3.34Å; Y97-R101 PolarHBondContact O-N 2.75Å; Y97-R101 PolarHBondContact OH-NH1 3.11Å; F98-R101 PolarHBondContact O-N 3.26Å; Y99-R101 VanDerWaalsContact C-N 3.34Å; Y99-R101 PolarHBondContact O-N 3.29Å; R101-Y103 VanDerWaalsContact C-N 3.35Å; R101-I104 PolarHBondContact O-N 3.46Å; R101-I105 WeakPolarHBondContact O-CG1 3.31Å; R101-I105 PolarHBondContact O-N 2.82Å; R101-F163 HydrophobicContact CB-CE1 4.18Å; R101-F163 HydrophobicContact CG-CE1 4.07Å; R101-E165 IonicContact CZ-OE1 2.71Å; R101-E165 IonicContact NE-OE1 3.2Å; R101-E165 PolarHBondContact NE-OE1 2.98Å; R101-E165 IonicContact NH2-OE1 3.16Å; R101-E165 PolarHBondContact NH2-OE1 3.13Å
102W88.7Confident90.3Very high7 Ų759.4 Ų59.43%0.02727%0.272CS..Hα-helixtrans-68.7-32.5174.5-94.1107.5000113.4F98 Y99 Y100 I104 I105 Y106 L114 F120 T123 F163F98-W102 PolarHBondContact O-N 2.76Å; F98-W102 VanDerWaalsContact O-N 3.11Å; Y99-W102 PolarHBondContact O-N 3.17Å; Y100-W102 PolarHBondContact O-N 3.14Å; W102-I104 VanDerWaalsContact C-N 3.32Å; W102-I104 PolarHBondContact O-N 3.04Å; W102-I105 HydrophobicContact CD2-CD1 3.88Å; W102-I105 HydrophobicContact CE3-CB 3.86Å; W102-I105 HydrophobicContact CE3-CD1 3.66Å; W102-I105 HydrophobicContact CE3-CG1 4.37Å; W102-I105 HydrophobicContact CE3-CG2 3.92Å; W102-I105 HydrophobicContact CG-CD1 4.49Å; W102-I105 HydrophobicContact CH2-CD1 4.36Å; W102-I105 HydrophobicContact CZ2-CD1 4.5Å; W102-I105 HydrophobicContact CZ3-CB 4.19Å; W102-I105 HydrophobicContact CZ3-CD1 3.92Å; W102-I105 HydrophobicContact CZ3-CG2 3.71Å; W102-I105 PolarHBondContact O-N 2.97Å; W102-Y106 WeakPolarHBondContact O-CB 3.3Å; W102-Y106 PolarHBondContact O-N 3.28Å; W102-L114 HydrophobicContact CZ3-CD1 3.95Å; W102-F120 AromaticContact CD2-CD2 3.97Å; W102-F120 HydrophobicContact CD2-CD2 3.97Å; W102-F120 HydrophobicContact CE3-CB 4.45Å; W102-F120 AromaticContact CE3-CD2 3.33Å; W102-F120 HydrophobicContact CE3-CD2 3.33Å; W102-F120 AromaticContact CE3-CE2 3.99Å; W102-F120 HydrophobicContact CE3-CE2 3.99Å; W102-F120 HydrophobicContact CE3-CG 4.32Å; W102-F120 HydrophobicContact CH2-CB 3.7Å; W102-F120 HydrophobicContact CH2-CD2 4.12Å; W102-F120 HydrophobicContact CH2-CG 4.42Å; W102-F120 HydrophobicContact CZ2-CB 4.5Å; W102-F120 HydrophobicContact CZ3-CB 3.69Å; W102-F120 AromaticContact CZ3-CD2 3.43Å; W102-F120 HydrophobicContact CZ3-CD2 3.43Å; W102-F120 VanDerWaalsContact CZ3-CD2 3.43Å; W102-F120 HydrophobicContact CZ3-CE2 4.43Å; W102-F120 AromaticContact CZ3-CG 3.98Å; W102-F120 HydrophobicContact CZ3-CG 3.98Å; W102-T123 HydrophobicContact CZ2-CG2 3.77Å; W102-T123 PolarHBondContact NE1-OG1 3.34Å; W102-F163 AromaticContact CD1-CE1 3.39Å; W102-F163 AromaticContact CD1-CZ 3.65Å; W102-F163 HydrophobicContact CG-CE1 4.34Å; W102-F163 AromaticContact NE1-CD1 3.76Å; W102-F163 AromaticContact NE1-CE1 3.36Å; W102-F163 AromaticContact NE1-CZ 3.75Å
103Y91Very high89.5Confident143 Ų14358.2 Ų58.256%0.56127%0.268SS*.Hα-helixtrans-59.9-42.9172174.1-97.8000111.4Y99 Y100 R101 I105 Y106 V107Y99-Y103 WeakPolarHBondContact O-CB 3.4Å; Y99-Y103 PolarHBondContact O-N 2.94Å; Y100-Y103 WeakPolarHBondContact O-CB 3.49Å; Y100-Y103 PolarHBondContact O-N 3.26Å; Y100-Y103 VanDerWaalsContact O-N 3.16Å; R101-Y103 VanDerWaalsContact C-N 3.35Å; Y103-I105 PolarHBondContact O-N 3.15Å; Y103-Y106 WeakPolarHBondContact O-CB 3.45Å; Y103-Y106 PolarHBondContact O-N 3.39Å; Y103-V107 HydrophobicContact CD1-CG2 4.34Å; Y103-V107 HydrophobicContact CE1-CG2 3.89Å; Y103-V107 HydrophobicContact CE2-CG2 4.15Å; Y103-V107 WeakPolarHBondContact O-CG2 3.01Å; Y103-V107 PolarHBondContact O-N 2.7Å
104I91.2Very high88.7Confident25 Ų2552.9 Ų52.913%0.12824%0.24CC..Hα-helixtrans-60.8-44.6174.8-60.9165.8000110.8Y47 Y100 R101 W102 Y106 V107 M108Y47-I104 HydrophobicContact CD2-CG2 4.23Å; Y100-I104 HydrophobicContact CD1-CD1 3.91Å; Y100-I104 HydrophobicContact CE1-CD1 3.33Å; Y100-I104 HydrophobicContact CE1-CG1 4.18Å; Y100-I104 HydrophobicContact CE2-CD1 4.22Å; Y100-I104 HydrophobicContact CE2-CG1 4.22Å; Y100-I104 WeakPolarHBondContact O-CG1 3.27Å; Y100-I104 PolarHBondContact O-N 3.22Å; R101-I104 PolarHBondContact O-N 3.46Å; W102-I104 VanDerWaalsContact C-N 3.32Å; W102-I104 PolarHBondContact O-N 3.04Å; I104-Y106 VanDerWaalsContact C-N 3.31Å; I104-Y106 PolarHBondContact O-N 2.91Å; I104-V107 PolarHBondContact O-N 3.01Å; I104-M108 HydrophobicContact CB-CE 4.32Å; I104-M108 HydrophobicContact CG2-CE 3.22Å; I104-M108 WeakPolarHBondContact O-CE 3.34Å; I104-M108 WeakPolarHBondContact O-CG 3.22Å; I104-M108 PolarHBondContact O-N 3.19Å
105I88.6Confident87.7Confident4 Ų460.9 Ų60.92%0.02128%0.275CS..Hα-helixtrans-59.4-43.6175.4-60.6169.4000110.7I32 Y47 R101 W102 Y103 V107 M108 S109 L114 P164I32-I105 HydrophobicContact CD1-CG1 4.49Å; Y47-I105 HydrophobicContact CD2-CG1 4.48Å; Y47-I105 HydrophobicContact CE2-CD1 4.06Å; Y47-I105 HydrophobicContact CE2-CG1 3.72Å; Y47-I105 VanDerWaalsContact OH-CD1 3.3Å; Y47-I105 WeakPolarHBondContact OH-CD1 3.44Å; R101-I105 WeakPolarHBondContact O-CG1 3.31Å; R101-I105 PolarHBondContact O-N 2.82Å; W102-I105 HydrophobicContact CD2-CD1 3.88Å; W102-I105 HydrophobicContact CE3-CB 3.86Å; W102-I105 HydrophobicContact CE3-CD1 3.66Å; W102-I105 HydrophobicContact CE3-CG1 4.37Å; W102-I105 HydrophobicContact CE3-CG2 3.92Å; W102-I105 HydrophobicContact CG-CD1 4.49Å; W102-I105 HydrophobicContact CH2-CD1 4.36Å; W102-I105 HydrophobicContact CZ2-CD1 4.5Å; W102-I105 HydrophobicContact CZ3-CB 4.19Å; W102-I105 HydrophobicContact CZ3-CD1 3.92Å; W102-I105 HydrophobicContact CZ3-CG2 3.71Å; W102-I105 PolarHBondContact O-N 2.97Å; Y103-I105 PolarHBondContact O-N 3.15Å; I105-V107 VanDerWaalsContact C-N 3.34Å; I105-V107 PolarHBondContact O-N 2.96Å; I105-M108 VanDerWaalsContact O-CG 3.31Å; I105-M108 WeakPolarHBondContact O-CG 3.33Å; I105-M108 PolarHBondContact O-N 3.4Å; I105-S109 WeakPolarHBondContact O-CB 3.37Å; I105-S109 PolarHBondContact O-N 3.21Å; I105-L114 HydrophobicContact CG2-CD1 4.47Å; I105-P164 HydrophobicContact CD1-CG 4.31Å
106Y88.7Confident87Confident98 Ų9865.1 Ų65.138%0.38431%0.305SS..Hα-helixtrans-61.1-40.4177.9174.3-94.3000112.7W102 Y103 I104 L114W102-Y106 WeakPolarHBondContact O-CB 3.3Å; W102-Y106 PolarHBondContact O-N 3.28Å; Y103-Y106 WeakPolarHBondContact O-CB 3.45Å; Y103-Y106 PolarHBondContact O-N 3.39Å; I104-Y106 VanDerWaalsContact C-N 3.31Å; I104-Y106 PolarHBondContact O-N 2.91Å; Y106-L114 HydrophobicContact CD2-CD2 3.51Å; Y106-L114 HydrophobicContact CE2-CD2 4.4Å; Y106-L114 HydrophobicContact CG-CD2 4.2Å
107V89.9Confident86.5Confident49 Ų4963.8 Ų63.830%0.29729%0.292SS..Hα-helixtrans-67.2-44.8178.4171.80000111.3K35 L43 Y103 I104 I105K35-V107 PolarHBondContact NZ-O 2.72Å; L43-V107 HydrophobicContact CD1-CG1 4.1Å; Y103-V107 HydrophobicContact CD1-CG2 4.34Å; Y103-V107 HydrophobicContact CE1-CG2 3.89Å; Y103-V107 HydrophobicContact CE2-CG2 4.15Å; Y103-V107 WeakPolarHBondContact O-CG2 3.01Å; Y103-V107 PolarHBondContact O-N 2.7Å; I104-V107 PolarHBondContact O-N 3.01Å; I105-V107 VanDerWaalsContact C-N 3.34Å; I105-V107 PolarHBondContact O-N 2.96Å
108M88.6Confident86Confident0 Ų068.6 Ų68.60%032%0.319CS..Hα-helixtrans-79-29.1-176.771176.174.500114.2I32 F34 K35 Y44 Y47 I104 I105I32-M108 HydrophobicContact CG2-SD 4.34Å; F34-M108 CarbonylContact C-O 3.21Å; F34-M108 WeakPolarHBondContact CA-O 3.43Å; K35-M108 PolarHBondContact N-O 3.15Å; Y44-M108 HydrophobicContact CD2-SD 3.67Å; Y44-M108 HydrophobicContact CG-SD 4.41Å; Y47-M108 HydrophobicContact CD2-CE 4.09Å; Y47-M108 HydrophobicContact CG-CE 3.95Å; I104-M108 HydrophobicContact CB-CE 4.32Å; I104-M108 HydrophobicContact CG2-CE 3.22Å; I104-M108 WeakPolarHBondContact O-CE 3.34Å; I104-M108 WeakPolarHBondContact O-CG 3.22Å; I104-M108 PolarHBondContact O-N 3.19Å; I105-M108 VanDerWaalsContact O-CG 3.31Å; I105-M108 WeakPolarHBondContact O-CG 3.33Å; I105-M108 PolarHBondContact O-N 3.4Å
109S86.4Confident85.5Confident6 Ų669.2 Ų69.24%0.04232%0.323CS..BIsolated β-bridgetrans-79.8152.8-172.1-172.90000112.7R33 K35 I105 K111R33-S109 WeakPolarHBondContact O-CA 3.37Å; R33-S109 PolarHBondContact O-OG 3.21Å; K35-S109 VanDerWaalsContact CE-O 3.28Å; K35-S109 WeakPolarHBondContact CE-O 3.33Å; I105-S109 WeakPolarHBondContact O-CB 3.37Å; I105-S109 PolarHBondContact O-N 3.21Å; S109-K111 PolarHBondContact O-N 2.85Å
110E84.3Confident85.1Confident77 Ų7767.4 Ų67.436%0.3632%0.317SS..  trans-65.3127.6166.7-65.6-176.1164.900110.7R33 K35 K112 T113 L114R33-E110 PolarHBondContact O-N 3.36Å; K35-E110 HydrophobicContact CG-CG 4.29Å; E110-K112 VanDerWaalsContact C-N 3.26Å; E110-K112 PolarHBondContact O-N 2.8Å; E110-T113 HydrophobicContact CB-CG2 4.4Å; E110-T113 PolarHBondContact O-N 2.88Å; E110-T113 PolarHBondContact O-OG1 3.03Å; E110-L114 PolarHBondContact O-N 3.4Å; E110-L114 VanDerWaalsContact O-N 3.16Å
111K79.9Confident84.9Confident121 Ų12165.2 Ų65.253%0.52631%0.313SS..Hα-helixtrans-62.2-32.4-174.2-68.6-175.3177.8179.90113.2S109 K115S109-K111 PolarHBondContact O-N 2.85Å; K111-K115 WeakPolarHBondContact O-CG 3.42Å; K111-K115 PolarHBondContact O-N 2.83Å
112K78.5Confident84.7Confident191 Ų19166.3 Ų66.383%0.8332%0.323SS*.Hα-helixtrans-66.7-41.6-179.1-71-175.7178.4-179.50111.7E110E110-K112 VanDerWaalsContact C-N 3.26Å; E110-K112 PolarHBondContact O-N 2.8Å
113T75.9Confident84.8Confident39 Ų3966 Ų6624%0.23932%0.322CS..Hα-helixtrans-78.3-30.8-17857.80000111.8R33 E110 S116R33-T113 HydrophobicContact CB-CG2 4.45Å; E110-T113 HydrophobicContact CB-CG2 4.4Å; E110-T113 PolarHBondContact O-N 2.88Å; E110-T113 PolarHBondContact O-OG1 3.03Å; T113-S116 PolarHBondContact O-OG 3.28Å
114L77.9Confident84.8Confident6 Ų662 Ų623%0.03131%0.31CS..Hα-helixtrans-72.5-39179.9-172.964.6000113.1W102 I105 Y106 E110 S116 N117 F120W102-L114 HydrophobicContact CZ3-CD1 3.95Å; I105-L114 HydrophobicContact CG2-CD1 4.47Å; Y106-L114 HydrophobicContact CD2-CD2 3.51Å; Y106-L114 HydrophobicContact CE2-CD2 4.4Å; Y106-L114 HydrophobicContact CG-CD2 4.2Å; E110-L114 PolarHBondContact O-N 3.4Å; E110-L114 VanDerWaalsContact O-N 3.16Å; L114-S116 PolarHBondContact O-N 3.31Å; L114-N117 WeakPolarHBondContact O-CB 3.44Å; L114-N117 PolarHBondContact O-N 3.44Å; L114-F120 HydrophobicContact CD1-CB 3.87Å; L114-F120 HydrophobicContact CD1-CD1 4.25Å; L114-F120 HydrophobicContact CD1-CD2 4.12Å; L114-F120 HydrophobicContact CD1-CG 3.81Å; L114-F120 HydrophobicContact CG-CD1 4.04Å; L114-F120 HydrophobicContact CG-CD2 4.48Å; L114-F120 HydrophobicContact CG-CE1 4.36Å; L114-F120 HydrophobicContact CG-CG 4.09Å
115K75.1Confident84.9Confident170 Ų17063.9 Ų63.974%0.73932%0.323SS*.Hα-helixtrans-62.8-27.3-179.3-78.9-173.7176.9-169.70113.6K111K111-K115 WeakPolarHBondContact O-CG 3.42Å; K111-K115 PolarHBondContact O-N 2.83Å
116S79.3Confident85.1Confident93 Ų9364.3 Ų64.365%0.6533%0.325SS*.THydrogen-bonded Turntrans-91.9-3.8176.357.40000113.3T113 L114 I118T113-S116 PolarHBondContact O-OG 3.28Å; L114-S116 PolarHBondContact O-N 3.31Å; S116-I118 PolarHBondContact O-N 3.47Å
117N82.6Confident85.4Confident55 Ų5559.7 Ų59.729%0.29431%0.307SS..  trans-79.1112.9-176.3-168.5-6.2000111.2L114 S119 F120 I121L114-N117 WeakPolarHBondContact O-CB 3.44Å; L114-N117 PolarHBondContact O-N 3.44Å; N117-S119 PolarHBondContact ND2-OG 3.47Å; N117-S119 PolarHBondContact O-N 3.44Å; N117-S119 PolarHBondContact OD1-N 3.43Å; N117-S119 VanDerWaalsContact OD1-N 3.13Å; N117-S119 PolarHBondContact OD1-OG 3.39Å; N117-S119 VanDerWaalsContact OD1-OG 3.08Å; N117-F120 HydrophobicContact CB-CB 4.25Å; N117-F120 WeakPolarHBondContact O-CB 3.42Å; N117-F120 PolarHBondContact O-N 3.47Å; N117-I121 PolarHBondContact O-N 3.45Å
118I85.6Confident85.6Confident139 Ų13959.3 Ų59.371%0.71331%0.307SS*.Hα-helixtrans-57.4-36.6179.1-62167.6000111.4S116 F120 I121 A122S116-I118 PolarHBondContact O-N 3.47Å; I118-F120 VanDerWaalsContact C-N 3.35Å; I118-F120 PolarHBondContact O-N 3.19Å; I118-I121 PolarHBondContact O-N 2.83Å; I118-A122 VanDerWaalsContact O-CB 3.27Å; I118-A122 WeakPolarHBondContact O-CB 3.42Å; I118-A122 PolarHBondContact O-N 3.32Å
119S83.9Confident85.9Confident14 Ų1462.7 Ų62.710%0.09832%0.324CS..Hα-helixtrans-68-37-17870.80000112.2N117 T123 T162N117-S119 PolarHBondContact ND2-OG 3.47Å; N117-S119 PolarHBondContact O-N 3.44Å; N117-S119 PolarHBondContact OD1-N 3.43Å; N117-S119 VanDerWaalsContact OD1-N 3.13Å; N117-S119 PolarHBondContact OD1-OG 3.39Å; N117-S119 VanDerWaalsContact OD1-OG 3.08Å; S119-T123 VanDerWaalsContact O-CG2 3.32Å; S119-T123 WeakPolarHBondContact O-CG2 3.31Å; S119-T123 PolarHBondContact O-N 2.93Å; S119-T123 PolarHBondContact O-OG1 2.62Å; S119-T162 WeakPolarHBondContact CB-O 3.13Å
120F85.3Confident86.2Confident42 Ų4262.4 Ų62.418%0.18432%0.322CS..Hα-helixtrans-63.4-51.7174.5174.1-115.8000110.8W102 L114 N117 I118 A122 T123 I124W102-F120 AromaticContact CD2-CD2 3.97Å; W102-F120 HydrophobicContact CD2-CD2 3.97Å; W102-F120 HydrophobicContact CE3-CB 4.45Å; W102-F120 AromaticContact CE3-CD2 3.33Å; W102-F120 HydrophobicContact CE3-CD2 3.33Å; W102-F120 AromaticContact CE3-CE2 3.99Å; W102-F120 HydrophobicContact CE3-CE2 3.99Å; W102-F120 HydrophobicContact CE3-CG 4.32Å; W102-F120 HydrophobicContact CH2-CB 3.7Å; W102-F120 HydrophobicContact CH2-CD2 4.12Å; W102-F120 HydrophobicContact CH2-CG 4.42Å; W102-F120 HydrophobicContact CZ2-CB 4.5Å; W102-F120 HydrophobicContact CZ3-CB 3.69Å; W102-F120 AromaticContact CZ3-CD2 3.43Å; W102-F120 HydrophobicContact CZ3-CD2 3.43Å; W102-F120 VanDerWaalsContact CZ3-CD2 3.43Å; W102-F120 HydrophobicContact CZ3-CE2 4.43Å; W102-F120 AromaticContact CZ3-CG 3.98Å; W102-F120 HydrophobicContact CZ3-CG 3.98Å; L114-F120 HydrophobicContact CD1-CB 3.87Å; L114-F120 HydrophobicContact CD1-CD1 4.25Å; L114-F120 HydrophobicContact CD1-CD2 4.12Å; L114-F120 HydrophobicContact CD1-CG 3.81Å; L114-F120 HydrophobicContact CG-CD1 4.04Å; L114-F120 HydrophobicContact CG-CD2 4.48Å; L114-F120 HydrophobicContact CG-CE1 4.36Å; L114-F120 HydrophobicContact CG-CG 4.09Å; N117-F120 HydrophobicContact CB-CB 4.25Å; N117-F120 WeakPolarHBondContact O-CB 3.42Å; N117-F120 PolarHBondContact O-N 3.47Å; I118-F120 VanDerWaalsContact C-N 3.35Å; I118-F120 PolarHBondContact O-N 3.19Å; F120-A122 VanDerWaalsContact C-N 3.3Å; F120-A122 PolarHBondContact O-N 3.11Å; F120-T123 PolarHBondContact O-N 2.86Å; F120-T123 VanDerWaalsContact O-N 3.15Å; F120-T123 PolarHBondContact O-OG1 3.21Å; F120-I124 HydrophobicContact CD2-CG1 4.05Å; F120-I124 HydrophobicContact CE2-CD1 4.03Å; F120-I124 HydrophobicContact CE2-CG1 3.64Å; F120-I124 HydrophobicContact CZ-CG1 3.91Å; F120-I124 PolarHBondContact O-N 3.5Å; F120-I124 VanDerWaalsContact O-N 3.09Å
121I88.4Confident86.6Confident85 Ų8560.4 Ų60.444%0.43632%0.315SS..Hα-helixtrans-57.3-47.6178.8-62170.6000109.9N117 I118 T123 I124 T125N117-I121 PolarHBondContact O-N 3.45Å; I118-I121 PolarHBondContact O-N 2.83Å; I121-T123 VanDerWaalsContact C-N 3.35Å; I121-T123 PolarHBondContact O-N 2.72Å; I121-I124 PolarHBondContact O-N 3.07Å; I121-T125 HydrophobicContact CG2-CG2 4.33Å; I121-T125 VanDerWaalsContact O-CG2 3.27Å; I121-T125 WeakPolarHBondContact O-CG2 3.33Å; I121-T125 PolarHBondContact O-N 3.04Å; I121-T125 PolarHBondContact O-OG1 2.95Å; I121-T125 VanDerWaalsContact O-OG1 3.09Å
122A89.8Confident87.3Confident28 Ų2858.6 Ų58.623%0.23131%0.311CS..Hα-helixtrans-60.5-38.4178.400000113.2I118 F120 T125 I126 T162I118-A122 VanDerWaalsContact O-CB 3.27Å; I118-A122 WeakPolarHBondContact O-CB 3.42Å; I118-A122 PolarHBondContact O-N 3.32Å; F120-A122 VanDerWaalsContact C-N 3.3Å; F120-A122 PolarHBondContact O-N 3.11Å; A122-T125 WeakPolarHBondContact CA-OG1 3.26Å; A122-T125 PolarHBondContact O-OG1 3.42Å; A122-I126 WeakPolarHBondContact O-CB 3.3Å; A122-I126 WeakPolarHBondContact O-CD1 3.03Å; A122-I126 WeakPolarHBondContact O-CG1 3.37Å; A122-I126 PolarHBondContact O-N 3.35Å; A122-T162 HydrophobicContact CB-CG2 4.03Å
123T89.7Confident88.1Confident0 Ų049.6 Ų49.60%027%0.272CS..Hα-helixtrans-67.1-47.3177.150.40000113.5W102 S119 F120 I121 T125 I126 L127 T162W102-T123 HydrophobicContact CZ2-CG2 3.77Å; W102-T123 PolarHBondContact NE1-OG1 3.34Å; S119-T123 VanDerWaalsContact O-CG2 3.32Å; S119-T123 WeakPolarHBondContact O-CG2 3.31Å; S119-T123 PolarHBondContact O-N 2.93Å; S119-T123 PolarHBondContact O-OG1 2.62Å; F120-T123 PolarHBondContact O-N 2.86Å; F120-T123 VanDerWaalsContact O-N 3.15Å; F120-T123 PolarHBondContact O-OG1 3.21Å; I121-T123 VanDerWaalsContact C-N 3.35Å; I121-T123 PolarHBondContact O-N 2.72Å; T123-T125 VanDerWaalsContact C-N 3.28Å; T123-T125 PolarHBondContact O-N 2.97Å; T123-I126 PolarHBondContact O-N 2.74Å; T123-L127 WeakPolarHBondContact O-CB 3.29Å; T123-L127 VanDerWaalsContact O-CG 3.29Å; T123-L127 WeakPolarHBondContact O-CG 3.46Å; T123-L127 PolarHBondContact O-N 2.85Å; T123-T162 HydrophobicContact CG2-CG2 3.9Å; T123-T162 WeakPolarHBondContact CG2-OG1 3.33Å
124I91Very high88.8Confident60 Ų6047.8 Ų47.831%0.30826%0.261SS..Hα-helixtrans-64.7-40.4-178.8-63.2-53.8000109.7F120 I121 S128F120-I124 HydrophobicContact CD2-CG1 4.05Å; F120-I124 HydrophobicContact CE2-CD1 4.03Å; F120-I124 HydrophobicContact CE2-CG1 3.64Å; F120-I124 HydrophobicContact CZ-CG1 3.91Å; F120-I124 PolarHBondContact O-N 3.5Å; F120-I124 VanDerWaalsContact O-N 3.09Å; I121-I124 PolarHBondContact O-N 3.07Å; I124-S128 WeakPolarHBondContact O-CB 3.37Å; I124-S128 PolarHBondContact O-N 3.24Å; I124-S128 PolarHBondContact O-OG 3.46Å; I124-S128 VanDerWaalsContact O-OG 3.14Å
125T93.3Very high89.5Confident64 Ų6452.2 Ų52.239%0.39328%0.283SS..Hα-helixtrans-63.8-48.6175.257.70000111.4I121 A122 T123 L127 S128 L129I121-T125 HydrophobicContact CG2-CG2 4.33Å; I121-T125 VanDerWaalsContact O-CG2 3.27Å; I121-T125 WeakPolarHBondContact O-CG2 3.33Å; I121-T125 PolarHBondContact O-N 3.04Å; I121-T125 PolarHBondContact O-OG1 2.95Å; I121-T125 VanDerWaalsContact O-OG1 3.09Å; A122-T125 WeakPolarHBondContact CA-OG1 3.26Å; A122-T125 PolarHBondContact O-OG1 3.42Å; T123-T125 VanDerWaalsContact C-N 3.28Å; T123-T125 PolarHBondContact O-N 2.97Å; T125-L127 PolarHBondContact O-N 3Å; T125-S128 WeakPolarHBondContact CA-OG 3.3Å; T125-S128 PolarHBondContact O-N 3.24Å; T125-S128 PolarHBondContact O-OG 3.44Å; T125-L129 WeakPolarHBondContact O-CB 3.26Å; T125-L129 VanDerWaalsContact O-CG 3.27Å; T125-L129 WeakPolarHBondContact O-CG 3.34Å; T125-L129 PolarHBondContact O-N 3.44Å
126I94Very high90.3Very high14 Ų1447 Ų477%0.07226%0.263CS..Hα-helixtrans-61.4-48.4179.6-69.9164.4000111.7A122 T123 S128 L129 M130 L155 V158 L159 T162A122-I126 WeakPolarHBondContact O-CB 3.3Å; A122-I126 WeakPolarHBondContact O-CD1 3.03Å; A122-I126 WeakPolarHBondContact O-CG1 3.37Å; A122-I126 PolarHBondContact O-N 3.35Å; T123-I126 PolarHBondContact O-N 2.74Å; I126-S128 VanDerWaalsContact C-N 3.31Å; I126-S128 PolarHBondContact O-N 2.88Å; I126-L129 PolarHBondContact O-N 2.87Å; I126-M130 HydrophobicContact CG2-CG 4.35Å; I126-M130 HydrophobicContact CG2-SD 3.84Å; I126-M130 VanDerWaalsContact O-CG 3.32Å; I126-M130 WeakPolarHBondContact O-CG 3.25Å; I126-M130 PolarHBondContact O-N 2.91Å; I126-L155 HydrophobicContact CG2-CB 3.94Å; I126-V158 HydrophobicContact CD1-CB 4.09Å; I126-V158 HydrophobicContact CD1-CG1 3.6Å; I126-L159 HydrophobicContact CB-CD2 4.18Å; I126-L159 HydrophobicContact CG2-CD2 3.66Å; I126-L159 HydrophobicContact CG2-CG 4.05Å; I126-T162 HydrophobicContact CD1-CG2 4.47Å
127L93.9Very high90.9Very high0 Ų043.6 Ų43.60%024%0.236CC..Hα-helixtrans-63-39.6178.6-68.2172.7000111.2E95 F98 Y99 T123 T125 L129 M130 T131 L159E95-L127 HydrophobicContact CG-CD2 4.46Å; F98-L127 HydrophobicContact CB-CD1 4.08Å; F98-L127 HydrophobicContact CB-CD2 3.97Å; F98-L127 HydrophobicContact CD2-CD2 4.28Å; Y99-L127 HydrophobicContact CD1-CD1 4.07Å; Y99-L127 HydrophobicContact CD2-CD1 4.43Å; Y99-L127 HydrophobicContact CE1-CB 3.89Å; Y99-L127 HydrophobicContact CE1-CD1 4.11Å; Y99-L127 HydrophobicContact CE2-CB 3.9Å; Y99-L127 HydrophobicContact CE2-CD1 4.46Å; Y99-L127 HydrophobicContact CG-CD1 4.24Å; Y99-L127 VanDerWaalsContact CZ-CB 3.48Å; Y99-L127 WeakPolarHBondContact OH-CB 3.33Å; Y99-L127 PolarHBondContact OH-O 3.35Å; T123-L127 WeakPolarHBondContact O-CB 3.29Å; T123-L127 VanDerWaalsContact O-CG 3.29Å; T123-L127 WeakPolarHBondContact O-CG 3.46Å; T123-L127 PolarHBondContact O-N 2.85Å; T125-L127 PolarHBondContact O-N 3Å; L127-L129 PolarHBondContact O-N 3.48Å; L127-M130 PolarHBondContact O-N 3.5Å; L127-T131 WeakPolarHBondContact O-CG2 3.4Å; L127-T131 PolarHBondContact O-N 3.19Å; L127-T131 PolarHBondContact O-OG1 3.45Å; L127-L159 HydrophobicContact CD2-CD1 4Å; L127-L159 HydrophobicContact CD2-CD2 3.99Å; L127-L159 HydrophobicContact CG-CD2 4.11Å
128S94Very high91.2Very high42 Ų4243.8 Ų43.829%0.29424%0.236SC..Hα-helixtrans-63.9-39.7175.372.90000112.4Y99 I124 T125 I126 T131 I132Y99-S128 PolarHBondContact OH-N 2.95Å; I124-S128 WeakPolarHBondContact O-CB 3.37Å; I124-S128 PolarHBondContact O-N 3.24Å; I124-S128 PolarHBondContact O-OG 3.46Å; I124-S128 VanDerWaalsContact O-OG 3.14Å; T125-S128 WeakPolarHBondContact CA-OG 3.3Å; T125-S128 PolarHBondContact O-N 3.24Å; T125-S128 PolarHBondContact O-OG 3.44Å; I126-S128 VanDerWaalsContact C-N 3.31Å; I126-S128 PolarHBondContact O-N 2.88Å; S128-T131 WeakPolarHBondContact CA-OG1 3.42Å; S128-T131 PolarHBondContact O-OG1 3.38Å; S128-I132 WeakPolarHBondContact O-CB 3.15Å; S128-I132 WeakPolarHBondContact O-CD1 3.15Å; S128-I132 WeakPolarHBondContact O-CG1 3.31Å; S128-I132 PolarHBondContact O-N 2.97Å
129L95Very high91.5Very high70 Ų7041.2 Ų41.237%0.36622%0.223SC..Hα-helixtrans-66.7-40.5175.8-71.9170.5000111.5T125 I126 L127 I132 D133 W151 L155T125-L129 WeakPolarHBondContact O-CB 3.26Å; T125-L129 VanDerWaalsContact O-CG 3.27Å; T125-L129 WeakPolarHBondContact O-CG 3.34Å; T125-L129 PolarHBondContact O-N 3.44Å; I126-L129 PolarHBondContact O-N 2.87Å; L127-L129 PolarHBondContact O-N 3.48Å; L129-I132 PolarHBondContact O-N 2.75Å; L129-D133 WeakPolarHBondContact O-CB 3.38Å; L129-D133 PolarHBondContact O-N 2.92Å; L129-W151 HydrophobicContact CB-CH2 3.88Å; L129-W151 HydrophobicContact CB-CZ3 4.26Å; L129-W151 HydrophobicContact CD2-CH2 3.95Å; L129-W151 HydrophobicContact CG-CH2 4.41Å; L129-L155 HydrophobicContact CB-CD1 4.18Å; L129-L155 HydrophobicContact CD1-CD1 4.32Å
130M94Very high91.8Very high0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-64.3-45.1177.1-72.9176.656.100112.3E95 I126 L127 D133 A134 L155 R156 L159E95-M130 HydrophobicContact CG-CE 4Å; E95-M130 VanDerWaalsContact OE1-CE 3.24Å; E95-M130 WeakPolarHBondContact OE1-CE 3.31Å; I126-M130 HydrophobicContact CG2-CG 4.35Å; I126-M130 HydrophobicContact CG2-SD 3.84Å; I126-M130 VanDerWaalsContact O-CG 3.32Å; I126-M130 WeakPolarHBondContact O-CG 3.25Å; I126-M130 PolarHBondContact O-N 2.91Å; L127-M130 PolarHBondContact O-N 3.5Å; M130-D133 PolarHBondContact O-N 3.27Å; M130-A134 WeakPolarHBondContact O-CB 3.36Å; M130-A134 PolarHBondContact O-N 2.86Å; M130-L155 HydrophobicContact CG-CB 4.49Å; M130-R156 HydrophobicContact CE-CG 3.72Å; M130-R156 HydrophobicContact SD-CG 4.34Å; M130-L159 HydrophobicContact CE-CD1 4.36Å; M130-L159 HydrophobicContact SD-CD1 3.93Å
131T92.8Very high91.9Very high35 Ų3545.4 Ų45.422%0.21524%0.241CC..Hα-helixtrans-64.6-41.8176.347.70000112.4E95 Y99 L127 S128 A134 I135E95-T131 VanDerWaalsContact OE2-CG2 3.24Å; E95-T131 WeakPolarHBondContact OE2-CG2 3.47Å; Y99-T131 HydrophobicContact CE2-CG2 3.86Å; L127-T131 WeakPolarHBondContact O-CG2 3.4Å; L127-T131 PolarHBondContact O-N 3.19Å; L127-T131 PolarHBondContact O-OG1 3.45Å; S128-T131 WeakPolarHBondContact CA-OG1 3.42Å; S128-T131 PolarHBondContact O-OG1 3.38Å; T131-A134 PolarHBondContact O-N 3.49Å; T131-I135 VanDerWaalsContact O-CG1 3.32Å; T131-I135 WeakPolarHBondContact O-CG1 3.45Å; T131-I135 PolarHBondContact O-N 3.4Å
132I94Very high91.9Very high84 Ų8447.3 Ų47.343%0.43125%0.248SC..Hα-helixtrans-61.2-46.9175-70.4165.2000110.5S128 L129 A134 I135 I136S128-I132 WeakPolarHBondContact O-CB 3.15Å; S128-I132 WeakPolarHBondContact O-CD1 3.15Å; S128-I132 WeakPolarHBondContact O-CG1 3.31Å; S128-I132 PolarHBondContact O-N 2.97Å; L129-I132 PolarHBondContact O-N 2.75Å; I132-A134 VanDerWaalsContact C-N 3.33Å; I132-A134 PolarHBondContact O-N 3.02Å; I132-I135 PolarHBondContact O-N 3.47Å; I132-I136 HydrophobicContact CG2-CD1 3.71Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 VanDerWaalsContact O-CG1 3.32Å; I132-I136 WeakPolarHBondContact O-CG1 3.46Å; I132-I136 PolarHBondContact O-N 3.18Å
133D93.8Very high91.9Very high2 Ų251.4 Ų51.41%0.01127%0.265CS..Hα-helixtrans-61.7-40.8176.9-174.950.8000111.8L129 M130 I135 I136 Y137 R150 W151 S152L129-D133 WeakPolarHBondContact O-CB 3.38Å; L129-D133 PolarHBondContact O-N 2.92Å; M130-D133 PolarHBondContact O-N 3.27Å; D133-I135 VanDerWaalsContact C-N 3.33Å; D133-I135 PolarHBondContact O-N 3.44Å; D133-I136 PolarHBondContact O-N 3.43Å; D133-Y137 WeakPolarHBondContact O-CB 3.41Å; D133-Y137 PolarHBondContact O-N 3.16Å; D133-R150 WeakPolarHBondContact OD2-CG 3.48Å; D133-W151 HydrophobicContact CB-CZ2 3.88Å; D133-W151 VanDerWaalsContact OD1-CD1 3.25Å; D133-W151 PolarHBondContact OD1-NE1 3.41Å; D133-S152 WeakPolarHBondContact OD2-CB 3.36Å; D133-S152 PolarHBondContact OD2-N 3.16Å; D133-S152 VanDerWaalsContact OD2-N 3.12Å; D133-S152 PolarHBondContact OD2-OG 3.08Å
134A91.8Very high91.6Very high1 Ų158.3 Ų58.31%0.00830%0.302CS..Hα-helixtrans-59.8-42.1175.100000112.2L88 L92 M130 T131 I132 Y137 I138L88-A134 HydrophobicContact CD1-CB 3.96Å; L92-A134 HydrophobicContact CD2-CB 4.42Å; M130-A134 WeakPolarHBondContact O-CB 3.36Å; M130-A134 PolarHBondContact O-N 2.86Å; T131-A134 PolarHBondContact O-N 3.49Å; I132-A134 VanDerWaalsContact C-N 3.33Å; I132-A134 PolarHBondContact O-N 3.02Å; A134-Y137 PolarHBondContact O-N 3.43Å; A134-I138 WeakPolarHBondContact O-CD1 3.39Å; A134-I138 VanDerWaalsContact O-CG1 3.26Å; A134-I138 WeakPolarHBondContact O-CG1 3.36Å; A134-I138 PolarHBondContact O-N 2.99Å; A134-I138 VanDerWaalsContact O-N 3.09Å
135I92.1Very high91.2Very high99 Ų9961.1 Ų61.151%0.50831%0.312SS..Hα-helixtrans-65.8-47.3176.7-66.4163.5000110.8T131 I132 D133 Y137 I138 I139T131-I135 VanDerWaalsContact O-CG1 3.32Å; T131-I135 WeakPolarHBondContact O-CG1 3.45Å; T131-I135 PolarHBondContact O-N 3.4Å; I132-I135 PolarHBondContact O-N 3.47Å; D133-I135 VanDerWaalsContact C-N 3.33Å; D133-I135 PolarHBondContact O-N 3.44Å; I135-Y137 VanDerWaalsContact C-N 3.28Å; I135-Y137 PolarHBondContact O-N 3.45Å; I135-I138 PolarHBondContact O-N 2.94Å; I135-I139 HydrophobicContact CG2-CD1 3.89Å; I135-I139 WeakPolarHBondContact O-CG1 3.3Å; I135-I139 PolarHBondContact O-N 3.03Å
136I92.5Very high90.4Very high61 Ų6163.9 Ų63.931%0.31333%0.334SS..Hα-helixtrans-59.7-42.3177.8-67.5168.2000110.5I132 D133 I138 I139 F140I132-I136 HydrophobicContact CG2-CD1 3.71Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 VanDerWaalsContact O-CG1 3.32Å; I132-I136 WeakPolarHBondContact O-CG1 3.46Å; I132-I136 PolarHBondContact O-N 3.18Å; D133-I136 PolarHBondContact O-N 3.43Å; I136-I138 PolarHBondContact O-N 3.28Å; I136-I139 PolarHBondContact O-N 3.44Å; I136-F140 HydrophobicContact CG2-CD2 3.85Å; I136-F140 HydrophobicContact CG2-CE1 4.26Å; I136-F140 HydrophobicContact CG2-CE2 3.5Å; I136-F140 VanDerWaalsContact CG2-CE2 3.5Å; I136-F140 HydrophobicContact CG2-CG 4.38Å; I136-F140 HydrophobicContact CG2-CZ 3.73Å; I136-F140 WeakPolarHBondContact O-CG 3.28Å; I136-F140 PolarHBondContact O-N 2.84Å
137Y90.6Very high89.4Confident20 Ų2067.5 Ų67.58%0.07836%0.361CS..Hα-helixtrans-62.6-41.3179.1-174.8-98.1000112.3Y84 D133 A134 I135 F140 H141 P148 R150Y84-Y137 HydrophobicContact CD2-CD1 4.42Å; Y84-Y137 AromaticContact CD2-CE1 3.88Å; Y84-Y137 HydrophobicContact CD2-CE1 3.88Å; Y84-Y137 HydrophobicContact CG-CE1 4.26Å; D133-Y137 WeakPolarHBondContact O-CB 3.41Å; D133-Y137 PolarHBondContact O-N 3.16Å; A134-Y137 PolarHBondContact O-N 3.43Å; I135-Y137 VanDerWaalsContact C-N 3.28Å; I135-Y137 PolarHBondContact O-N 3.45Å; Y137-F140 PolarHBondContact O-N 2.98Å; Y137-H141 PolarHBondContact O-N 3.07Å; Y137-H141 VanDerWaalsContact O-N 3.09Å; Y137-P148 HydrophobicContact CD2-CB 3.85Å; Y137-P148 HydrophobicContact CD2-CG 4.39Å; Y137-P148 HydrophobicContact CE2-CB 3.71Å; Y137-P148 HydrophobicContact CE2-CG 3.78Å; Y137-R150 HydrophobicContact CD2-CB 4.1Å; Y137-R150 HydrophobicContact CD2-CG 4.37Å; Y137-R150 HydrophobicContact CE2-CB 4.27Å
138I90.3Very high88.8Confident59 Ų5969 Ų6930%0.30337%0.37SS..Hα-helixtrans-60.2-50.6172.4-65.4161.2000109.9L88 A134 I135 I136 F140 H141 E142L88-I138 HydrophobicContact CD2-CD1 3.86Å; L88-I138 HydrophobicContact CD2-CG1 3.52Å; A134-I138 WeakPolarHBondContact O-CD1 3.39Å; A134-I138 VanDerWaalsContact O-CG1 3.26Å; A134-I138 WeakPolarHBondContact O-CG1 3.36Å; A134-I138 PolarHBondContact O-N 2.99Å; A134-I138 VanDerWaalsContact O-N 3.09Å; I135-I138 PolarHBondContact O-N 2.94Å; I136-I138 PolarHBondContact O-N 3.28Å; I138-F140 VanDerWaalsContact C-N 3.31Å; I138-F140 PolarHBondContact O-N 3.14Å; I138-H141 PolarHBondContact O-N 2.63Å; I138-H141 VanDerWaalsContact O-N 3.12Å; I138-E142 HydrophobicContact CG2-CG 4.3Å; I138-E142 WeakPolarHBondContact O-CG 3.41Å; I138-E142 PolarHBondContact O-N 3.48Å
139I91Very high88.4Confident85 Ų8570.6 Ų70.644%0.43638%0.378SS..Hα-helixtrans-58-44.3-178.6-67.1166.3000111I135 I136 H141 E142 L143I135-I139 HydrophobicContact CG2-CD1 3.89Å; I135-I139 WeakPolarHBondContact O-CG1 3.3Å; I135-I139 PolarHBondContact O-N 3.03Å; I136-I139 PolarHBondContact O-N 3.44Å; I139-H141 VanDerWaalsContact C-N 3.33Å; I139-H141 PolarHBondContact O-N 2.63Å; I139-E142 PolarHBondContact O-N 2.89Å; I139-L143 HydrophobicContact CG2-CD1 3.74Å; I139-L143 HydrophobicContact CG2-CG 4.34Å; I139-L143 WeakPolarHBondContact O-CB 3.44Å; I139-L143 VanDerWaalsContact O-CG 3.27Å; I139-L143 WeakPolarHBondContact O-CG 3.25Å; I139-L143 PolarHBondContact O-N 3.35Å
140F91Very high87.9Confident76 Ų7667.5 Ų67.533%0.33336%0.362SS..Hα-helixtrans-65.6-35178.4-73.1-15.1000113.3I136 Y137 I138 L143 N144 F145 P148I136-F140 HydrophobicContact CG2-CD2 3.85Å; I136-F140 HydrophobicContact CG2-CE1 4.26Å; I136-F140 HydrophobicContact CG2-CE2 3.5Å; I136-F140 VanDerWaalsContact CG2-CE2 3.5Å; I136-F140 HydrophobicContact CG2-CG 4.38Å; I136-F140 HydrophobicContact CG2-CZ 3.73Å; I136-F140 WeakPolarHBondContact O-CG 3.28Å; I136-F140 PolarHBondContact O-N 2.84Å; Y137-F140 PolarHBondContact O-N 2.98Å; I138-F140 VanDerWaalsContact C-N 3.31Å; I138-F140 PolarHBondContact O-N 3.14Å; F140-L143 PolarHBondContact O-N 3.46Å; F140-N144 PolarHBondContact O-N 3.01Å; F140-F145 HydrophobicContact CB-CB 4.28Å; F140-F145 HydrophobicContact CB-CD2 4.27Å; F140-F145 AromaticContact CD1-CD2 3.81Å; F140-F145 HydrophobicContact CD1-CD2 3.81Å; F140-F145 HydrophobicContact CD1-CE2 4.02Å; F140-F145 HydrophobicContact CE1-CD2 4.49Å; F140-F145 HydrophobicContact CE1-CE2 4.33Å; F140-F145 HydrophobicContact CG-CD2 4.24Å; F140-F145 PolarHBondContact O-N 3.17Å; F140-P148 HydrophobicContact CB-CB 3.93Å; F140-P148 HydrophobicContact CD2-CB 4.42Å
141H86.7Confident87.6Confident69 Ų6973.3 Ų73.332%0.31938%0.384SS..Hα-helixtrans-70.8-38.7176-160.2-66.3000111.9Y84 Y137 I138 I139 L143 N144Y84-H141 AromaticContact CD1-CD2 3.39Å; Y84-H141 WeakPolarHBondContact CD1-CD2 3.31Å; Y84-H141 AromaticContact CD1-CE1 3.52Å; Y84-H141 AromaticContact CD1-CG 3.79Å; Y84-H141 AromaticContact CD1-ND1 3.85Å; Y84-H141 AromaticContact CD1-NE2 3.2Å; Y84-H141 WeakPolarHBondContact CD1-NE2 3.25Å; Y84-H141 HydrophobicContact CE1-CB 4.45Å; Y84-H141 AromaticContact CE1-CD2 3.66Å; Y84-H141 AromaticContact CE1-CE1 3.26Å; Y84-H141 WeakPolarHBondContact CE1-CE1 3.4Å; Y84-H141 AromaticContact CE1-CG 3.54Å; Y84-H141 AromaticContact CE1-ND1 3.29Å; Y84-H141 VanDerWaalsContact CE1-ND1 3.29Å; Y84-H141 WeakPolarHBondContact CE1-ND1 3.48Å; Y84-H141 AromaticContact CE1-NE2 3.49Å; Y84-H141 WeakPolarHBondContact CE1-NE2 3.25Å; Y84-H141 HydrophobicContact CE2-CB 4.26Å; Y84-H141 AromaticContact CG-CD2 3.74Å; Y84-H141 AromaticContact CG-NE2 3.98Å; Y84-H141 AromaticContact CZ-CG 3.71Å; Y84-H141 AromaticContact CZ-ND1 3.67Å; Y137-H141 PolarHBondContact O-N 3.07Å; Y137-H141 VanDerWaalsContact O-N 3.09Å; I138-H141 PolarHBondContact O-N 2.63Å; I138-H141 VanDerWaalsContact O-N 3.12Å; I139-H141 VanDerWaalsContact C-N 3.33Å; I139-H141 PolarHBondContact O-N 2.63Å; H141-L143 VanDerWaalsContact C-N 3.32Å; H141-L143 PolarHBondContact O-N 3.5Å; H141-N144 PolarHBondContact O-N 2.84Å
142E88.4Confident87.5Confident125 Ų12571.7 Ų71.758%0.58437%0.374SS*.Hα-helixtrans-67.7-31.8174.6-65.1-56.214400112.4Y84 I138 I139 N144Y84-E142 PolarHBondContact OH-OE1 2.91Å; I138-E142 HydrophobicContact CG2-CG 4.3Å; I138-E142 WeakPolarHBondContact O-CG 3.41Å; I138-E142 PolarHBondContact O-N 3.48Å; I139-E142 PolarHBondContact O-N 2.89Å; E142-N144 PolarHBondContact O-N 3.35Å
143L90.1Very high87.5Confident113 Ų11368 Ų6859%0.59235%0.354SS*.THydrogen-bonded Turntrans-81.74.7175.3-68175.5000113.7I139 F140 H141 F145I139-L143 HydrophobicContact CG2-CD1 3.74Å; I139-L143 HydrophobicContact CG2-CG 4.34Å; I139-L143 WeakPolarHBondContact O-CB 3.44Å; I139-L143 VanDerWaalsContact O-CG 3.27Å; I139-L143 WeakPolarHBondContact O-CG 3.25Å; I139-L143 PolarHBondContact O-N 3.35Å; F140-L143 PolarHBondContact O-N 3.46Å; H141-L143 VanDerWaalsContact C-N 3.32Å; H141-L143 PolarHBondContact O-N 3.5Å; L143-F145 VanDerWaalsContact C-N 3.29Å; L143-F145 HydrophobicContact CB-CD2 3.87Å; L143-F145 HydrophobicContact CB-CE2 4.07Å; L143-F145 HydrophobicContact CD1-CE2 4.12Å; L143-F145 PolarHBondContact O-N 3.2Å
144N83.8Confident87.4Confident146 Ų14668.8 Ų68.878%0.78136%0.361SS*.THydrogen-bonded Turntrans54.237.4-178.5-65.3-47.5000114.3F140 H141 E142F140-N144 PolarHBondContact O-N 3.01Å; H141-N144 PolarHBondContact O-N 2.84Å; E142-N144 PolarHBondContact O-N 3.35Å
145F83.1Confident87.5Confident118 Ų11870.9 Ų70.952%0.51837%0.372SS..  trans-63.6137.7169.7-88.2-84000110.5F140 L143 S147F140-F145 HydrophobicContact CB-CB 4.28Å; F140-F145 HydrophobicContact CB-CD2 4.27Å; F140-F145 AromaticContact CD1-CD2 3.81Å; F140-F145 HydrophobicContact CD1-CD2 3.81Å; F140-F145 HydrophobicContact CD1-CE2 4.02Å; F140-F145 HydrophobicContact CE1-CD2 4.49Å; F140-F145 HydrophobicContact CE1-CE2 4.33Å; F140-F145 HydrophobicContact CG-CD2 4.24Å; F140-F145 PolarHBondContact O-N 3.17Å; L143-F145 VanDerWaalsContact C-N 3.29Å; L143-F145 HydrophobicContact CB-CD2 3.87Å; L143-F145 HydrophobicContact CB-CE2 4.07Å; L143-F145 HydrophobicContact CD1-CE2 4.12Å; L143-F145 PolarHBondContact O-N 3.2Å; F145-S147 VanDerWaalsContact C-N 3.28Å; F145-S147 PolarHBondContact O-N 3.45Å
146S74.9Confident87.6Confident123 Ų12366.2 Ų66.286%0.8635%0.348SS*.SBendtrans-66.9-22.5-171.246.10000114.8
147S73.9Confident87.6Confident89 Ų8963.4 Ų63.462%0.62233%0.334SS*.  trans-157.177-175.953.90000111.6F145 V149F145-S147 VanDerWaalsContact C-N 3.28Å; F145-S147 PolarHBondContact O-N 3.45Å; S147-V149 PolarHBondContact O-N 3.38Å
148P81.7Confident87.6Confident32 Ų3264.2 Ų64.221%0.20834%0.34CS..  trans-68.7116.8176.128.6-33.3000110Y137 F140Y137-P148 HydrophobicContact CD2-CB 3.85Å; Y137-P148 HydrophobicContact CD2-CG 4.39Å; Y137-P148 HydrophobicContact CE2-CB 3.71Å; Y137-P148 HydrophobicContact CE2-CG 3.78Å; F140-P148 HydrophobicContact CB-CB 3.93Å; F140-P148 HydrophobicContact CD2-CB 4.42Å
149V84.1Confident87.7Confident76 Ų7661.4 Ų61.446%0.46133%0.326SS..  trans-84.6136177.8175.90000109.6S147 E551S147-V149 PolarHBondContact O-N 3.38Å; V149-E551 HydrophobicContact CG1-CG 4.39Å
150R85.9Confident87.7Confident5 Ų558.4 Ų58.42%0.01931%0.311CS..  trans-115.882.9178.6-163.2-175.1-172.9167.110.3111E70 L88 N91 D133 Y137 S152 R153E70-R150 IonicContact OE1-CZ 3.92Å; E70-R150 IonicContact OE1-NH1 3.49Å; E70-R150 PolarHBondContact OE1-NH1 3.39Å; E70-R150 VanDerWaalsContact OE1-NH1 3.13Å; E70-R150 VanDerWaalsContact OE2-CD 3.27Å; E70-R150 WeakPolarHBondContact OE2-CD 3.36Å; E70-R150 IonicContact OE2-CZ 4Å; E70-R150 IonicContact OE2-NE 3.84Å; E70-R150 IonicContact OE2-NH1 2.74Å; E70-R150 PolarHBondContact OE2-NH1 2.82Å; L88-R150 VanDerWaalsContact CD1-NH2 3.32Å; N91-R150 PolarHBondContact ND2-NH1 3.48Å; N91-R150 PolarHBondContact ND2-NH2 3.25Å; D133-R150 WeakPolarHBondContact OD2-CG 3.48Å; Y137-R150 HydrophobicContact CD2-CB 4.1Å; Y137-R150 HydrophobicContact CD2-CG 4.37Å; Y137-R150 HydrophobicContact CE2-CB 4.27Å; R150-S152 VanDerWaalsContact C-N 3.29Å; R150-S152 PolarHBondContact O-N 3.01Å; R150-R153 HydrophobicContact CB-CG 4.32Å; R150-R153 HydrophobicContact CG-CG 4.18Å; R150-R153 WeakPolarHBondContact O-CD 3.46Å; R150-R153 VanDerWaalsContact O-CG 3.31Å; R150-R153 WeakPolarHBondContact O-CG 3.37Å
151W87.2Confident87.6Confident122 Ų12255.5 Ų55.546%0.46230%0.299SS..G310 helixtrans-71.3-22-174.557.7-87.6000113.2L129 D133 R153 L155L129-W151 HydrophobicContact CB-CH2 3.88Å; L129-W151 HydrophobicContact CB-CZ3 4.26Å; L129-W151 HydrophobicContact CD2-CH2 3.95Å; L129-W151 HydrophobicContact CG-CH2 4.41Å; D133-W151 HydrophobicContact CB-CZ2 3.88Å; D133-W151 VanDerWaalsContact OD1-CD1 3.25Å; D133-W151 PolarHBondContact OD1-NE1 3.41Å; W151-R153 PolarHBondContact O-N 3.28Å; W151-R153 VanDerWaalsContact O-N 3.16Å; W151-L155 HydrophobicContact CZ3-CD1 3.91Å
152S91.6Very high87.7Confident0 Ų052.7 Ų52.70%029%0.286CS..G310 helixtrans-67.1-15.2-178.968.60000114.4D133 R150 A154 L155D133-S152 WeakPolarHBondContact OD2-CB 3.36Å; D133-S152 PolarHBondContact OD2-N 3.16Å; D133-S152 VanDerWaalsContact OD2-N 3.12Å; D133-S152 PolarHBondContact OD2-OG 3.08Å; R150-S152 VanDerWaalsContact C-N 3.29Å; R150-S152 PolarHBondContact O-N 3.01Å; S152-A154 PolarHBondContact O-N 2.91Å; S152-L155 WeakPolarHBondContact O-CB 3.3Å; S152-L155 PolarHBondContact O-N 2.96Å
153R92.3Very high87.7Confident7 Ų746.7 Ų46.73%0.02626%0.259CS..G310 helixtrans-51.6-45177.6-67.9169.9177.6166.2-0.1111.5E70 Y71 R150 W151 L155 R156 Y543 C547 E551E70-R153 IonicContact OE2-CZ 3.7Å; E70-R153 IonicContact OE2-NE 2.68Å; E70-R153 PolarHBondContact OE2-NE 3.19Å; E70-R153 IonicContact OE2-NH2 3.73Å; E70-R153 PolarHBondContact OE2-NH2 2.97Å; Y71-R153 VanDerWaalsContact O-CZ 3.26Å; Y71-R153 PolarHBondContact O-NH1 3.19Å; Y71-R153 PolarHBondContact O-NH2 3.36Å; R150-R153 HydrophobicContact CB-CG 4.32Å; R150-R153 HydrophobicContact CG-CG 4.18Å; R150-R153 WeakPolarHBondContact O-CD 3.46Å; R150-R153 VanDerWaalsContact O-CG 3.31Å; R150-R153 WeakPolarHBondContact O-CG 3.37Å; W151-R153 PolarHBondContact O-N 3.28Å; W151-R153 VanDerWaalsContact O-N 3.16Å; R153-L155 PolarHBondContact O-N 3.16Å; R153-L155 VanDerWaalsContact O-N 3.15Å; R153-R156 WeakPolarHBondContact O-CG 3.42Å; R153-R156 PolarHBondContact O-N 2.95Å; R153-Y543 WeakPolarHBondContact O-CE1 3.44Å; R153-C547 HydrophobicContact CB-CB 4.35Å; R153-E551 IonicContact CZ-OE1 3.5Å; R153-E551 IonicContact NH1-OE1 2.79Å; R153-E551 PolarHBondContact NH1-OE1 3.14Å
154A92.9Very high87.5Confident19 Ų1941.8 Ų41.816%0.15723%0.233CC..G310 helixtrans-62.7-21.2-179.100000113.4S152 P157 I544 C547S152-A154 PolarHBondContact O-N 2.91Å; A154-P157 WeakPolarHBondContact O-CD 3.49Å; A154-I544 HydrophobicContact CB-CG2 4.36Å; A154-I544 WeakPolarHBondContact O-CG1 3.44Å; A154-C547 HydrophobicContact CB-CB 4.05Å
155L92.9Very high87.6Confident44 Ų4436.6 Ų36.623%0.2320%0.204CC..G310 helixtrans-83.8-17.6-179.4-60.9178.3000113.6I126 L129 M130 W151 S152 R153 V158I126-L155 HydrophobicContact CG2-CB 3.94Å; L129-L155 HydrophobicContact CB-CD1 4.18Å; L129-L155 HydrophobicContact CD1-CD1 4.32Å; M130-L155 HydrophobicContact CG-CB 4.49Å; W151-L155 HydrophobicContact CZ3-CD1 3.91Å; S152-L155 WeakPolarHBondContact O-CB 3.3Å; S152-L155 PolarHBondContact O-N 2.96Å; R153-L155 PolarHBondContact O-N 3.16Å; R153-L155 VanDerWaalsContact O-N 3.15Å; L155-V158 VanDerWaalsContact O-CB 3.28Å; L155-V158 WeakPolarHBondContact O-CB 3.31Å; L155-V158 PolarHBondContact O-N 2.93Å; L155-V158 VanDerWaalsContact O-N 3.08Å
156R93.7Very high87.8Confident2 Ų231.9 Ų31.91%0.00818%0.184CC..G310 helixtrans-57.1-47.1-176.4-59.5-177.3-169.8158.78.6113.8L64 T66 E70 N91 M130 R153 V158 L159L64-R156 HydrophobicContact CD2-CB 3.93Å; T66-R156 PolarHBondContact OG1-NH1 2.96Å; E70-R156 IonicContact OE1-CZ 3.06Å; E70-R156 IonicContact OE1-NH1 3.65Å; E70-R156 PolarHBondContact OE1-NH1 3.16Å; E70-R156 IonicContact OE1-NH2 2.62Å; E70-R156 PolarHBondContact OE1-NH2 3.18Å; E70-R156 IonicContact OE2-NH2 2.88Å; E70-R156 PolarHBondContact OE2-NH2 3.17Å; N91-R156 PolarHBondContact ND2-NH2 3.23Å; M130-R156 HydrophobicContact CE-CG 3.72Å; M130-R156 HydrophobicContact SD-CG 4.34Å; R153-R156 WeakPolarHBondContact O-CG 3.42Å; R153-R156 PolarHBondContact O-N 2.95Å; R156-V158 PolarHBondContact O-N 3.02Å; R156-L159 VanDerWaalsContact O-CB 3.31Å; R156-L159 WeakPolarHBondContact O-CB 3.41Å; R156-L159 PolarHBondContact O-N 3.44Å
157P92.9Very high88.2Confident2 Ų227.7 Ų27.71%0.01315%0.15CC..G310 helixtrans-68.4-23.4179.7-12.827.4000112.5L64 A154 L159 L160 I540 Y543L64-P157 HydrophobicContact CD2-CB 4.07Å; L64-P157 HydrophobicContact CD2-CG 3.83Å; A154-P157 WeakPolarHBondContact O-CD 3.49Å; P157-L159 PolarHBondContact O-N 3.49Å; P157-L160 VanDerWaalsContact O-CB 3.29Å; P157-L160 WeakPolarHBondContact O-CB 3.48Å; P157-L160 PolarHBondContact O-N 2.82Å; P157-I540 HydrophobicContact CB-CB 4.28Å; P157-I540 HydrophobicContact CB-CG1 3.9Å; P157-I540 HydrophobicContact CB-CG2 3.99Å; P157-Y543 HydrophobicContact CG-CD1 3.1Å; P157-Y543 HydrophobicContact CG-CD2 4.13Å; P157-Y543 HydrophobicContact CG-CE1 3.59Å; P157-Y543 HydrophobicContact CG-CG 3.4Å; P157-Y543 VanDerWaalsContact CG-CG 3.4Å
158V91.4Very high88.6Confident36 Ų3629.8 Ų29.822%0.21814%0.144CC..G310 helixtrans-64.7-26.4177.2-171.70000110.8I126 L155 R156 L160 L161 I544I126-V158 HydrophobicContact CD1-CB 4.09Å; I126-V158 HydrophobicContact CD1-CG1 3.6Å; L155-V158 VanDerWaalsContact O-CB 3.28Å; L155-V158 WeakPolarHBondContact O-CB 3.31Å; L155-V158 PolarHBondContact O-N 2.93Å; L155-V158 VanDerWaalsContact O-N 3.08Å; R156-V158 PolarHBondContact O-N 3.02Å; V158-L160 PolarHBondContact O-N 2.98Å; V158-L161 HydrophobicContact CG1-CD1 4.44Å; V158-L161 WeakPolarHBondContact O-CB 3.48Å; V158-L161 PolarHBondContact O-N 3.1Å; V158-I544 HydrophobicContact CG2-CD1 4.34Å
159L91.3Very high89Confident1 Ų128.9 Ų28.91%0.00514%0.137CC..Hα-helixtrans-59.1-29.9172-65.6173.2000112.5F98 I126 L127 M130 R156 P157 L161 T162 F163F98-L159 HydrophobicContact CD2-CD1 4.03Å; F98-L159 HydrophobicContact CE2-CD1 4.18Å; I126-L159 HydrophobicContact CB-CD2 4.18Å; I126-L159 HydrophobicContact CG2-CD2 3.66Å; I126-L159 HydrophobicContact CG2-CG 4.05Å; L127-L159 HydrophobicContact CD2-CD1 4Å; L127-L159 HydrophobicContact CD2-CD2 3.99Å; L127-L159 HydrophobicContact CG-CD2 4.11Å; M130-L159 HydrophobicContact CE-CD1 4.36Å; M130-L159 HydrophobicContact SD-CD1 3.93Å; R156-L159 VanDerWaalsContact O-CB 3.31Å; R156-L159 WeakPolarHBondContact O-CB 3.41Å; R156-L159 PolarHBondContact O-N 3.44Å; P157-L159 PolarHBondContact O-N 3.49Å; L159-L161 PolarHBondContact O-N 2.88Å; L159-T162 PolarHBondContact O-N 3.17Å; L159-T162 PolarHBondContact O-OG1 3.18Å; L159-F163 HydrophobicContact CB-CE2 4.44Å; L159-F163 VanDerWaalsContact O-CD2 3.24Å; L159-F163 WeakPolarHBondContact O-CD2 3.46Å
160L91.7Very high89.2Confident22 Ų2227.7 Ų27.712%0.11513%0.125CC..Hα-helixtrans-61.3-30.9174.5-73.1167.3000111.9T60 L64 P157 V158 T162 N166 L169 I540T60-L160 HydrophobicContact CG2-CD2 3.48Å; T60-L160 VanDerWaalsContact CG2-CD2 3.48Å; T60-L160 HydrophobicContact CG2-CG 3.97Å; L64-L160 HydrophobicContact CD1-CD1 3.97Å; P157-L160 VanDerWaalsContact O-CB 3.29Å; P157-L160 WeakPolarHBondContact O-CB 3.48Å; P157-L160 PolarHBondContact O-N 2.82Å; V158-L160 PolarHBondContact O-N 2.98Å; L160-T162 VanDerWaalsContact C-N 3.31Å; L160-T162 PolarHBondContact O-N 3.34Å; L160-N166 VanDerWaalsContact CD2-ND2 3.32Å; L160-N166 WeakPolarHBondContact CD2-ND2 3.24Å; L160-N166 WeakPolarHBondContact O-CB 3.32Å; L160-N166 PolarHBondContact O-ND2 3.25Å; L160-L169 HydrophobicContact CB-CD2 3.77Å; L160-I540 HydrophobicContact CB-CD1 4.48Å; L160-I540 HydrophobicContact CD1-CD1 4.24Å; L160-I540 HydrophobicContact CD1-CG1 4.45Å
161L88.9Confident89.1Confident15 Ų1528 Ų288%0.07913%0.128CC..Hα-helixtrans-76.6-19.2-176.9-58.2179.6000113.2V158 L159 L169 R170 F173 I540V158-L161 HydrophobicContact CG1-CD1 4.44Å; V158-L161 WeakPolarHBondContact O-CB 3.48Å; V158-L161 PolarHBondContact O-N 3.1Å; L159-L161 PolarHBondContact O-N 2.88Å; L161-L169 HydrophobicContact CD2-CD1 4.49Å; L161-L169 HydrophobicContact CD2-CD2 3.78Å; L161-L169 HydrophobicContact CD2-CG 3.65Å; L161-R170 WeakPolarHBondContact O-CG 3.45Å; L161-R170 PolarHBondContact O-NE 3.4Å; L161-F173 HydrophobicContact CD1-CB 4.49Å; L161-F173 HydrophobicContact CD1-CD1 4.14Å; L161-F173 HydrophobicContact CD1-CD2 3.72Å; L161-F173 HydrophobicContact CD1-CE1 4.3Å; L161-F173 HydrophobicContact CD1-CE2 3.9Å; L161-F173 HydrophobicContact CD1-CG 3.85Å; L161-F173 HydrophobicContact CD1-CZ 4.18Å; L161-F173 HydrophobicContact CD2-CB 3.99Å; L161-F173 HydrophobicContact CD2-CG 4.25Å; L161-I540 HydrophobicContact CD2-CD1 4.23Å
162T88.5Confident89.2Confident9 Ų922.3 Ų22.36%0.05511%0.107CC..Hα-helixtrans-102.1-25-168.157.20000113.7S119 A122 T123 I126 L159 L160 R170S119-T162 WeakPolarHBondContact CB-O 3.13Å; A122-T162 HydrophobicContact CB-CG2 4.03Å; T123-T162 HydrophobicContact CG2-CG2 3.9Å; T123-T162 WeakPolarHBondContact CG2-OG1 3.33Å; I126-T162 HydrophobicContact CD1-CG2 4.47Å; L159-T162 PolarHBondContact O-N 3.17Å; L159-T162 PolarHBondContact O-OG1 3.18Å; L160-T162 VanDerWaalsContact C-N 3.31Å; L160-T162 PolarHBondContact O-N 3.34Å; T162-R170 PolarHBondContact O-NH2 3.35Å
163F89.5Confident89.2Confident0 Ų026.2 Ų26.20%012%0.124CC..SBendtrans-75.2141.5174.7-80.4-71.6000112.5Y56 F98 R101 W102 L159 E165 N166 R170Y56-F163 HydrophobicContact CE1-CB 4.46Å; Y56-F163 HydrophobicContact CE2-CB 4.15Å; Y56-F163 HydrophobicContact CE2-CD1 4.14Å; Y56-F163 AromaticContact CE2-CD2 3.55Å; Y56-F163 HydrophobicContact CE2-CD2 3.55Å; Y56-F163 HydrophobicContact CE2-CE1 4.48Å; Y56-F163 AromaticContact CE2-CE2 3.93Å; Y56-F163 HydrophobicContact CE2-CE2 3.93Å; Y56-F163 AromaticContact CE2-CG 3.68Å; Y56-F163 HydrophobicContact CE2-CG 3.68Å; Y56-F163 HydrophobicContact CE2-CZ 4.38Å; Y56-F163 AromaticContact CZ-CD2 3.77Å; Y56-F163 AromaticContact CZ-CG 3.77Å; Y56-F163 VanDerWaalsContact OH-CB 3.27Å; Y56-F163 WeakPolarHBondContact OH-CB 3.44Å; Y56-F163 VanDerWaalsContact OH-CD2 3.25Å; Y56-F163 WeakPolarHBondContact OH-CD2 3.46Å; Y56-F163 WeakPolarHBondContact OH-CG 3.44Å; F98-F163 HydrophobicContact CB-CE2 4.4Å; F98-F163 HydrophobicContact CB-CZ 3.9Å; F98-F163 AromaticContact CD1-CE2 3.82Å; F98-F163 HydrophobicContact CD1-CE2 3.82Å; F98-F163 AromaticContact CD1-CZ 3.75Å; F98-F163 HydrophobicContact CD1-CZ 3.75Å; F98-F163 HydrophobicContact CE1-CE2 4.41Å; F98-F163 HydrophobicContact CG-CE2 4.19Å; F98-F163 HydrophobicContact CG-CZ 4.08Å; R101-F163 HydrophobicContact CB-CE1 4.18Å; R101-F163 HydrophobicContact CG-CE1 4.07Å; W102-F163 AromaticContact CD1-CE1 3.39Å; W102-F163 AromaticContact CD1-CZ 3.65Å; W102-F163 HydrophobicContact CG-CE1 4.34Å; W102-F163 AromaticContact NE1-CD1 3.76Å; W102-F163 AromaticContact NE1-CE1 3.36Å; W102-F163 AromaticContact NE1-CZ 3.75Å; L159-F163 HydrophobicContact CB-CE2 4.44Å; L159-F163 VanDerWaalsContact O-CD2 3.24Å; L159-F163 WeakPolarHBondContact O-CD2 3.46Å; F163-E165 VanDerWaalsContact C-N 3.33Å; F163-E165 WeakPolarHBondContact CB-OE2 3.46Å; F163-E165 PolarHBondContact O-N 3.3Å; F163-N166 PolarHBondContact O-N 3.47Å; F163-R170 PolarHBondContact O-NH2 3.25Å
164P85.4Confident89Confident10 Ų1029.5 Ų29.57%0.06514%0.139CC..G310 helixtrans-69.4-21.6-172.427.8-35.4000115.8E31 I32 Y47 I105 N166 R167 R170E31-P164 HydrophobicContact CB-CB 4.3Å; E31-P164 WeakPolarHBondContact OE2-CA 3.47Å; E31-P164 WeakPolarHBondContact OE2-CB 3.26Å; I32-P164 HydrophobicContact CD1-CB 4.41Å; I32-P164 HydrophobicContact CD1-CG 4.06Å; I32-P164 HydrophobicContact CG1-CB 4.48Å; Y47-P164 HydrophobicContact CE1-CG 4.26Å; Y47-P164 WeakPolarHBondContact OH-CG 3.44Å; I105-P164 HydrophobicContact CD1-CG 4.31Å; P164-N166 PolarHBondContact O-N 3.01Å; P164-R167 PolarHBondContact O-N 3.39Å; P164-R170 VanDerWaalsContact CA-NH2 3.34Å
165E85.8Confident88.7Confident36 Ų3628.7 Ų28.717%0.16813%0.132CC..G310 helixtrans-65.5-30.1178.3-61.684.916600111.9Y47 Y56 F57 R101 F163 R167Y47-E165 WeakPolarHBondContact CE1-OE1 3.48Å; Y47-E165 PolarHBondContact OH-OE1 3.17Å; Y56-E165 HydrophobicContact CD1-CB 4.33Å; Y56-E165 HydrophobicContact CD1-CG 4.37Å; Y56-E165 HydrophobicContact CE1-CB 4.18Å; F57-E165 HydrophobicContact CZ-CB 4.36Å; R101-E165 IonicContact CZ-OE1 2.71Å; R101-E165 IonicContact NE-OE1 3.2Å; R101-E165 PolarHBondContact NE-OE1 2.98Å; R101-E165 IonicContact NH2-OE1 3.16Å; R101-E165 PolarHBondContact NH2-OE1 3.13Å; F163-E165 VanDerWaalsContact C-N 3.33Å; F163-E165 WeakPolarHBondContact CB-OE2 3.46Å; F163-E165 PolarHBondContact O-N 3.3Å; E165-R167 VanDerWaalsContact C-N 3.26Å; E165-R167 PolarHBondContact O-N 3.4Å
166N87.1Confident88.6Confident19 Ų1927.2 Ų27.210%0.10212%0.124CC..G310 helixtrans-92.235.4-177.9-66.9-31.5000112.8Y56 F57 L160 F163 P164 R168 L169 R170Y56-N166 PolarHBondContact OH-ND2 3.02Å; Y56-N166 VanDerWaalsContact OH-ND2 3.08Å; F57-N166 VanDerWaalsContact CE1-OD1 3.23Å; F57-N166 WeakPolarHBondContact CE1-OD1 3.32Å; L160-N166 VanDerWaalsContact CD2-ND2 3.32Å; L160-N166 WeakPolarHBondContact CD2-ND2 3.24Å; L160-N166 WeakPolarHBondContact O-CB 3.32Å; L160-N166 PolarHBondContact O-ND2 3.25Å; F163-N166 PolarHBondContact O-N 3.47Å; P164-N166 PolarHBondContact O-N 3.01Å; N166-R168 VanDerWaalsContact C-N 3.27Å; N166-R168 PolarHBondContact O-N 3.13Å; N166-L169 HydrophobicContact CB-CB 4.21Å; N166-L169 HydrophobicContact CB-CD2 4.4Å; N166-L169 WeakPolarHBondContact O-CB 3.39Å; N166-L169 PolarHBondContact O-N 3.27Å; N166-R170 PolarHBondContact O-N 2.98Å
167R84Confident88.6Confident35 Ų3533.5 Ų33.513%0.13215%0.148CC..Hα-helixtrans-50.3-44.8-178.4176.7-180170.8-177.20.6113.3T28 L30 E31 P164 E165 L169 R170 A171 T290T28-R167 PolarHBondContact O-NH1 2.81Å; L30-R167 VanDerWaalsContact CD1-NH1 3.26Å; E31-R167 WeakPolarHBondContact OE1-CB 3.42Å; E31-R167 WeakPolarHBondContact OE1-CG 3.43Å; P164-R167 PolarHBondContact O-N 3.39Å; E165-R167 VanDerWaalsContact C-N 3.26Å; E165-R167 PolarHBondContact O-N 3.4Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 3Å; R167-R170 PolarHBondContact O-N 2.95Å; R167-A171 WeakPolarHBondContact O-CB 3.18Å; R167-A171 PolarHBondContact O-N 3.02Å; R167-T290 PolarHBondContact NH2-OG1 3.44Å
168R82.7Confident88.5Confident133 Ų13336.8 Ų36.850%0.50216%0.16SC..Hα-helixtrans-62.1-42.4-179.2-67.8-175.9179.11700.1111.7N166 A171 A172 E726N166-R168 VanDerWaalsContact C-N 3.27Å; N166-R168 PolarHBondContact O-N 3.13Å; R168-A171 PolarHBondContact O-N 3.17Å; R168-A172 WeakPolarHBondContact O-CB 3.43Å; R168-A172 PolarHBondContact O-N 2.94Å; R168-E726 IonicContact NH2-OE1 3.95Å; R168-E726 PolarHBondContact NH2-OE1 3.34Å
169L89Confident88.5Confident13 Ų1335 Ų357%0.06815%0.15CC..Hα-helixtrans-65.1-43.9176.3-176.569.2000111.3L160 L161 N166 R167 A172 F173 A533 T536 I537 I540L160-L169 HydrophobicContact CB-CD2 3.77Å; L161-L169 HydrophobicContact CD2-CD1 4.49Å; L161-L169 HydrophobicContact CD2-CD2 3.78Å; L161-L169 HydrophobicContact CD2-CG 3.65Å; N166-L169 HydrophobicContact CB-CB 4.21Å; N166-L169 HydrophobicContact CB-CD2 4.4Å; N166-L169 WeakPolarHBondContact O-CB 3.39Å; N166-L169 PolarHBondContact O-N 3.27Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 3Å; L169-A172 PolarHBondContact O-N 3.24Å; L169-F173 WeakPolarHBondContact O-CB 3.35Å; L169-F173 PolarHBondContact O-N 2.63Å; L169-A533 WeakPolarHBondContact CD1-O 3.45Å; L169-T536 HydrophobicContact CD1-CG2 3.66Å; L169-T536 HydrophobicContact CD2-CG2 4.11Å; L169-I537 HydrophobicContact CD1-CD1 4.44Å; L169-I537 HydrophobicContact CD1-CG1 3.61Å; L169-I540 HydrophobicContact CD1-CD1 4.27Å; L169-I540 HydrophobicContact CD2-CD1 3.85Å; L169-I540 HydrophobicContact CG-CD1 4.47Å
170R87.8Confident88.5Confident52 Ų5238.2 Ų38.220%0.19617%0.166CC..Hα-helixtrans-63.6-41.6176.6-168.2-170.9-56.2155.813.1112.2E31 L161 T162 F163 P164 N166 R167 F173 F174E31-R170 IonicContact OE1-CZ 3.7Å; E31-R170 IonicContact OE1-NH1 2.96Å; E31-R170 PolarHBondContact OE1-NH1 3.3Å; E31-R170 IonicContact OE1-NH2 3.94Å; E31-R170 IonicContact OE2-CZ 3.6Å; E31-R170 IonicContact OE2-NH1 2.6Å; E31-R170 PolarHBondContact OE2-NH1 3.13Å; E31-R170 IonicContact OE2-NH2 3.82Å; E31-R170 PolarHBondContact OE2-NH2 3.13Å; L161-R170 WeakPolarHBondContact O-CG 3.45Å; L161-R170 PolarHBondContact O-NE 3.4Å; T162-R170 PolarHBondContact O-NH2 3.35Å; F163-R170 PolarHBondContact O-NH2 3.25Å; P164-R170 VanDerWaalsContact CA-NH2 3.34Å; N166-R170 PolarHBondContact O-N 2.98Å; R167-R170 PolarHBondContact O-N 2.95Å; R170-F173 PolarHBondContact O-N 3.13Å; R170-F174 WeakPolarHBondContact O-CB 3.35Å; R170-F174 PolarHBondContact O-N 2.96Å
171A85Confident88.6Confident11 Ų1141.9 Ų41.99%0.09119%0.189CC..Hα-helixtrans-60.4-48.2175.200000111R167 R168 F173 F174 N175 F286R167-A171 WeakPolarHBondContact O-CB 3.18Å; R167-A171 PolarHBondContact O-N 3.02Å; R168-A171 PolarHBondContact O-N 3.17Å; A171-F173 VanDerWaalsContact C-N 3.35Å; A171-F173 PolarHBondContact O-N 3.48Å; A171-F174 PolarHBondContact O-N 3.47Å; A171-N175 WeakPolarHBondContact O-CB 3.44Å; A171-N175 PolarHBondContact O-N 3.17Å; A171-N175 PolarHBondContact O-OD1 2.92Å; A171-F286 HydrophobicContact CB-CD2 3.92Å; A171-F286 HydrophobicContact CB-CE1 3.98Å; A171-F286 HydrophobicContact CB-CE2 3.31Å; A171-F286 HydrophobicContact CB-CG 4.49Å; A171-F286 HydrophobicContact CB-CZ 3.34Å
172A88.2Confident88.7Confident3 Ų344.7 Ų44.73%0.02520%0.204CC..Hα-helixtrans-60.2-42.2176.100000112.1R168 L169 N175 L176 A533 Y534 I537R168-A172 WeakPolarHBondContact O-CB 3.43Å; R168-A172 PolarHBondContact O-N 2.94Å; L169-A172 PolarHBondContact O-N 3.24Å; A172-N175 PolarHBondContact O-N 3Å; A172-L176 WeakPolarHBondContact O-CB 3.31Å; A172-L176 PolarHBondContact O-N 3.24Å; A172-A533 HydrophobicContact CB-CB 4.04Å; A172-Y534 HydrophobicContact CB-CD1 4.06Å; A172-Y534 HydrophobicContact CB-CE1 3.69Å; A172-I537 VanDerWaalsContact C-CD1 3.48Å; A172-I537 HydrophobicContact CB-CD1 3.48Å; A172-I537 VanDerWaalsContact CB-CD1 3.48Å
173F91.2Very high88.8Confident81 Ų8144.2 Ų44.236%0.35520%0.202SC..Hα-helixtrans-65.1-42.8176.3178.6-96.4000112.3L161 L169 R170 A171 L176 R177 I537L161-F173 HydrophobicContact CD1-CB 4.49Å; L161-F173 HydrophobicContact CD1-CD1 4.14Å; L161-F173 HydrophobicContact CD1-CD2 3.72Å; L161-F173 HydrophobicContact CD1-CE1 4.3Å; L161-F173 HydrophobicContact CD1-CE2 3.9Å; L161-F173 HydrophobicContact CD1-CG 3.85Å; L161-F173 HydrophobicContact CD1-CZ 4.18Å; L161-F173 HydrophobicContact CD2-CB 3.99Å; L161-F173 HydrophobicContact CD2-CG 4.25Å; L169-F173 WeakPolarHBondContact O-CB 3.35Å; L169-F173 PolarHBondContact O-N 2.63Å; R170-F173 PolarHBondContact O-N 3.13Å; A171-F173 VanDerWaalsContact C-N 3.35Å; A171-F173 PolarHBondContact O-N 3.48Å; F173-L176 PolarHBondContact O-N 2.96Å; F173-R177 WeakPolarHBondContact O-CB 3.39Å; F173-R177 PolarHBondContact O-N 3.25Å; F173-I537 HydrophobicContact CB-CD1 4.18Å
174F88.5Confident88.9Confident77 Ų7749 Ų4934%0.33823%0.227SC..Hα-helixtrans-63-43.6177.2-179.9-97.5000111.7R170 A171 R177 R178R170-F174 WeakPolarHBondContact O-CB 3.35Å; R170-F174 PolarHBondContact O-N 2.96Å; A171-F174 PolarHBondContact O-N 3.47Å; F174-R177 PolarHBondContact O-N 2.77Å; F174-R178 HydrophobicContact CE1-CG 4.26Å; F174-R178 VanDerWaalsContact CZ-CD 3.49Å; F174-R178 HydrophobicContact CZ-CG 4.3Å; F174-R178 WeakPolarHBondContact O-CG 3.28Å; F174-R178 PolarHBondContact O-N 3.29Å
175N87.7Confident89.3Confident2 Ų252.9 Ų52.91%0.01125%0.252CS..Hα-helixtrans-62.6-43.5176.1-68.1-6.4000111A171 A172 R178 T179 H282A171-N175 WeakPolarHBondContact O-CB 3.44Å; A171-N175 PolarHBondContact O-N 3.17Å; A171-N175 PolarHBondContact O-OD1 2.92Å; A172-N175 PolarHBondContact O-N 3Å; N175-R178 PolarHBondContact O-N 2.82Å; N175-T179 WeakPolarHBondContact O-CB 3.11Å; N175-T179 PolarHBondContact O-N 3.18Å; N175-T179 PolarHBondContact O-OG1 3.37Å; N175-H282 HydrophobicContact CB-CB 4.45Å
176L91Very high89.6Confident13 Ų1352.4 Ų52.47%0.06825%0.251CS..Hα-helixtrans-62.9-44.6177-175.8141.8000112A172 F173 R178 T179 L180 I537 L639 V640A172-L176 WeakPolarHBondContact O-CB 3.31Å; A172-L176 PolarHBondContact O-N 3.24Å; F173-L176 PolarHBondContact O-N 2.96Å; L176-R178 VanDerWaalsContact C-N 3.35Å; L176-R178 PolarHBondContact O-N 3.47Å; L176-T179 PolarHBondContact O-N 3.04Å; L176-L180 WeakPolarHBondContact O-CB 3.22Å; L176-L180 PolarHBondContact O-N 2.53Å; L176-I537 HydrophobicContact CD1-CG2 4.38Å; L176-L639 HydrophobicContact CD1-CD2 4.34Å; L176-L639 HydrophobicContact CD1-CG 4.44Å; L176-L639 HydrophobicContact CD2-CD2 3.5Å; L176-L639 VanDerWaalsContact CD2-CD2 3.5Å; L176-L639 HydrophobicContact CD2-CG 4.37Å; L176-L639 HydrophobicContact CG-CD2 3.82Å; L176-L639 HydrophobicContact CG-CG 4.16Å; L176-V640 HydrophobicContact CD1-CB 4.25Å; L176-V640 HydrophobicContact CD1-CG2 3.53Å
177R92.2Very high89.6Confident133 Ų13351.7 Ų51.750%0.50225%0.247SC..Hα-helixtrans-61.4-41.7177.2-174.7-175.968.5168.22.7112F173 F174 L180 V181F173-R177 WeakPolarHBondContact O-CB 3.39Å; F173-R177 PolarHBondContact O-N 3.25Å; F174-R177 PolarHBondContact O-N 2.77Å; R177-L180 PolarHBondContact O-N 3.1Å; R177-V181 PolarHBondContact O-N 2.97Å
178R91.4Very high90Very high71 Ų7152.2 Ų52.227%0.26826%0.263SS..Hα-helixtrans-68.4-43.9177.2-71.7-178.572-173.15.9111.7F174 N175 L176 L180 V181 D182 H282 E285F174-R178 HydrophobicContact CE1-CG 4.26Å; F174-R178 VanDerWaalsContact CZ-CD 3.49Å; F174-R178 HydrophobicContact CZ-CG 4.3Å; F174-R178 WeakPolarHBondContact O-CG 3.28Å; F174-R178 PolarHBondContact O-N 3.29Å; N175-R178 PolarHBondContact O-N 2.82Å; L176-R178 VanDerWaalsContact C-N 3.35Å; L176-R178 PolarHBondContact O-N 3.47Å; R178-L180 VanDerWaalsContact C-N 3.26Å; R178-L180 PolarHBondContact O-N 3.42Å; R178-V181 PolarHBondContact O-N 3.33Å; R178-D182 PolarHBondContact O-N 3.43Å; R178-D182 VanDerWaalsContact O-N 3.11Å; R178-H282 PolarHBondContact NE-CE1 2.88Å; R178-H282 PolarHBondContact NE-ND1 3.37Å; R178-H282 PolarHBondContact NH1-ND1 2.97Å; R178-H282 PolarHBondContact NH2-ND1 3.27Å; R178-E285 IonicContact CZ-OE2 3.13Å; R178-E285 IonicContact NH1-OE1 2.91Å; R178-E285 IonicContact NH1-OE2 3.36Å; R178-E285 PolarHBondContact NH1-OE2 3.17Å; R178-E285 IonicContact NH2-OE1 3.34Å; R178-E285 IonicContact NH2-OE2 3.76Å; R178-E285 PolarHBondContact NH2-OE2 3.33Å
179T92Very high90.4Very high0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-57.3-40.8174.9-54.70000111.3N175 L176 V181 D182 V183 V275 L639 V643N175-T179 WeakPolarHBondContact O-CB 3.11Å; N175-T179 PolarHBondContact O-N 3.18Å; N175-T179 PolarHBondContact O-OG1 3.37Å; L176-T179 PolarHBondContact O-N 3.04Å; T179-V181 VanDerWaalsContact C-N 3.33Å; T179-V181 PolarHBondContact O-N 3.46Å; T179-D182 PolarHBondContact O-N 2.95Å; T179-V183 HydrophobicContact CG2-CG2 4.11Å; T179-V183 WeakPolarHBondContact O-CB 3.33Å; T179-V183 WeakPolarHBondContact O-CG2 3.45Å; T179-V183 PolarHBondContact O-N 2.97Å; T179-V275 HydrophobicContact CG2-CG1 4.11Å; T179-L639 HydrophobicContact CG2-CD1 4.43Å; T179-V643 HydrophobicContact CG2-CG2 4.28Å
180L91.6Very high90.6Very high68 Ų6850.6 Ų50.636%0.35626%0.264SS..Hα-helixtrans-59.1-42.4175.4175.760.2000112.5L176 R177 R178 L184 L639L176-L180 WeakPolarHBondContact O-CB 3.22Å; L176-L180 PolarHBondContact O-N 2.53Å; R177-L180 PolarHBondContact O-N 3.1Å; R178-L180 VanDerWaalsContact C-N 3.26Å; R178-L180 PolarHBondContact O-N 3.42Å; L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 PolarHBondContact O-N 2.87Å; L180-L639 HydrophobicContact CB-CD1 4.04Å; L180-L639 HydrophobicContact CB-CD2 3.96Å; L180-L639 HydrophobicContact CD1-CD1 4.35Å; L180-L639 HydrophobicContact CD1-CD2 4.1Å; L180-L639 HydrophobicContact CD2-CD2 4.32Å; L180-L639 HydrophobicContact CG-CD2 4.34Å
181V93Very high90.7Very high98 Ų9849.1 Ų49.159%0.59427%0.265SS*.Hα-helixtrans-64.8-42.2178.7175.40000110.9R177 R178 T179R177-V181 PolarHBondContact O-N 2.97Å; R178-V181 PolarHBondContact O-N 3.33Å; T179-V181 VanDerWaalsContact C-N 3.33Å; T179-V181 PolarHBondContact O-N 3.46Å
182D90.7Very high91.1Very high74 Ų7451.3 Ų51.340%0.39628%0.283SS..Hα-helixtrans-70.5-32-178.5-64.1-13.5000113R178 T179 P185 S278 H282R178-D182 PolarHBondContact O-N 3.43Å; R178-D182 VanDerWaalsContact O-N 3.11Å; T179-D182 PolarHBondContact O-N 2.95Å; D182-P185 VanDerWaalsContact O-CD 3.31Å; D182-P185 WeakPolarHBondContact O-CD 3.45Å; D182-S278 WeakPolarHBondContact CB-OG 3.32Å; D182-H282 IonicContact OD2-CD2 2.72Å; D182-H282 IonicContact OD2-CE1 3.62Å; D182-H282 PolarHBondContact OD2-CE1 3.35Å; D182-H282 IonicContact OD2-NE2 2.81Å; D182-H282 PolarHBondContact OD2-NE2 3.08Å
183V91.3Very high91.4Very high0 Ų052.5 Ų52.50%029%0.291CS..Hα-helixtrans-89.1-14.2-178.1-175.60000111.8T179 P185 V186 F187 L271 V275T179-V183 HydrophobicContact CG2-CG2 4.11Å; T179-V183 WeakPolarHBondContact O-CB 3.33Å; T179-V183 WeakPolarHBondContact O-CG2 3.45Å; T179-V183 PolarHBondContact O-N 2.97Å; V183-P185 VanDerWaalsContact C-CD 3.41Å; V183-P185 VanDerWaalsContact C-N 3.33Å; V183-V186 HydrophobicContact CG1-CB 4.28Å; V183-V186 WeakPolarHBondContact O-CA 3.36Å; V183-V186 WeakPolarHBondContact O-CB 3.18Å; V183-V186 PolarHBondContact O-N 3.21Å; V183-F187 HydrophobicContact CB-CD2 4.32Å; V183-F187 HydrophobicContact CB-CE2 4.06Å; V183-F187 HydrophobicContact CG1-CD2 3.76Å; V183-F187 HydrophobicContact CG1-CE2 3.44Å; V183-F187 VanDerWaalsContact CG1-CE2 3.44Å; V183-F187 HydrophobicContact CG1-CZ 4.21Å; V183-F187 WeakPolarHBondContact O-CD2 3.42Å; V183-F187 PolarHBondContact O-N 3.14Å; V183-F187 VanDerWaalsContact O-N 3.1Å; V183-L271 HydrophobicContact CG1-CG 4.49Å; V183-V275 HydrophobicContact CB-CG2 4.47Å; V183-V275 HydrophobicContact CG1-CG2 4Å; V183-V275 HydrophobicContact CG2-CG2 3.83Å
184L92Very high91.4Very high100 Ų10048.9 Ų48.952%0.52428%0.275SS..Hα-helixtrans-52.1-40.1179.1-167.465.4000114.2L180 V186 F187 G188L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 PolarHBondContact O-N 2.87Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 3.19Å; L184-F187 WeakPolarHBondContact O-CB 3.26Å; L184-F187 PolarHBondContact O-N 3.34Å; L184-G188 PolarHBondContact O-N 3.24Å
185P92.9Very high91.7Very high91 Ų9148.7 Ų48.759%0.59128%0.277SS*.Hα-helixtrans-62.2-36.2174.2-2335.2000113.5D182 V183 G188 L189D182-P185 VanDerWaalsContact O-CD 3.31Å; D182-P185 WeakPolarHBondContact O-CD 3.45Å; V183-P185 VanDerWaalsContact C-CD 3.41Å; V183-P185 VanDerWaalsContact C-N 3.33Å; P185-G188 PolarHBondContact O-N 2.98Å; P185-L189 PolarHBondContact O-N 3.11Å
186V91.5Very high92Very high26 Ų2654.8 Ų54.816%0.15830%0.304CS..Hα-helixtrans-67.1-42.9176.9-177.20000110.1V183 L184 G188 L189 F190 I270 L271V183-V186 HydrophobicContact CG1-CB 4.28Å; V183-V186 WeakPolarHBondContact O-CA 3.36Å; V183-V186 WeakPolarHBondContact O-CB 3.18Å; V183-V186 PolarHBondContact O-N 3.21Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 3.19Å; V186-G188 VanDerWaalsContact C-N 3.31Å; V186-G188 PolarHBondContact O-N 3.35Å; V186-L189 PolarHBondContact O-N 3.2Å; V186-F190 WeakPolarHBondContact O-CB 3.44Å; V186-F190 PolarHBondContact O-N 3.47Å; V186-I270 HydrophobicContact CG1-CG2 4.02Å; V186-L271 HydrophobicContact CG1-CB 4.5Å
187F88.8Confident92.1Very high4 Ų454.5 Ų54.52%0.01830%0.302CS..Hα-helixtrans-60.1-40.9171.3-74.1-68.5000112.2V183 L184 F190 G191 L271 L638V183-F187 HydrophobicContact CB-CD2 4.32Å; V183-F187 HydrophobicContact CB-CE2 4.06Å; V183-F187 HydrophobicContact CG1-CD2 3.76Å; V183-F187 HydrophobicContact CG1-CE2 3.44Å; V183-F187 VanDerWaalsContact CG1-CE2 3.44Å; V183-F187 HydrophobicContact CG1-CZ 4.21Å; V183-F187 WeakPolarHBondContact O-CD2 3.42Å; V183-F187 PolarHBondContact O-N 3.14Å; V183-F187 VanDerWaalsContact O-N 3.1Å; L184-F187 WeakPolarHBondContact O-CB 3.26Å; L184-F187 PolarHBondContact O-N 3.34Å; F187-F190 PolarHBondContact O-N 3.49Å; F187-G191 PolarHBondContact O-N 3.07Å; F187-L271 HydrophobicContact CD1-CD1 3.95Å; F187-L271 HydrophobicContact CE1-CD1 3.41Å; F187-L271 VanDerWaalsContact CE1-CD1 3.41Å; F187-L271 HydrophobicContact CE1-CG 4.25Å; F187-L271 HydrophobicContact CZ-CD1 3.89Å; F187-L271 HydrophobicContact CZ-CD2 4.38Å; F187-L271 HydrophobicContact CZ-CG 4.25Å; F187-L638 HydrophobicContact CD1-CD1 4.46Å; F187-L638 HydrophobicContact CE1-CB 3.75Å; F187-L638 HydrophobicContact CE1-CD1 3.69Å; F187-L638 HydrophobicContact CE1-CG 4.34Å; F187-L638 HydrophobicContact CZ-CB 3.85Å
188G91.2Very high92.2Very high46 Ų4648.1 Ų48.147%0.47428%0.278SS..Hα-helixtrans-60.9-44.8175.600000112.5L184 P185 V186 G191 A192L184-G188 PolarHBondContact O-N 3.24Å; P185-G188 PolarHBondContact O-N 2.98Å; V186-G188 VanDerWaalsContact C-N 3.31Å; V186-G188 PolarHBondContact O-N 3.35Å; G188-G191 PolarHBondContact O-N 2.95Å; G188-A192 WeakPolarHBondContact O-CB 3.24Å; G188-A192 PolarHBondContact O-N 3.4Å
189L92.2Very high92.3Very high109 Ų10948.8 Ų48.857%0.57129%0.286SS*.Hα-helixtrans-64.9-43.8176.9-17763.8000111.9P185 V186 A192 C193 F267P185-L189 PolarHBondContact O-N 3.11Å; V186-L189 PolarHBondContact O-N 3.2Å; L189-A192 PolarHBondContact O-N 3.5Å; L189-C193 WeakPolarHBondContact O-CB 3.47Å; L189-C193 PolarHBondContact O-N 3.4Å; L189-F267 HydrophobicContact CB-CE1 4.36Å; L189-F267 HydrophobicContact CD2-CE1 3.85Å; L189-F267 HydrophobicContact CD2-CZ 4.27Å; L189-F267 HydrophobicContact CG-CE1 3.76Å; L189-F267 HydrophobicContact CG-CZ 3.97Å
190F91.8Very high92.3Very high4 Ų451.3 Ų51.32%0.01830%0.301CS..Hα-helixtrans-59.9-47.8174.8169.7-107.4000111.7V186 F187 A192 C193 L194 Y230 T233 C263 F267V186-F190 WeakPolarHBondContact O-CB 3.44Å; V186-F190 PolarHBondContact O-N 3.47Å; F187-F190 PolarHBondContact O-N 3.49Å; F190-A192 PolarHBondContact O-N 3.26Å; F190-C193 PolarHBondContact O-N 3.48Å; F190-L194 HydrophobicContact CD1-CD1 4.17Å; F190-L194 HydrophobicContact CE1-CD1 3.5Å; F190-L194 VanDerWaalsContact CE1-CD1 3.5Å; F190-L194 HydrophobicContact CE1-CG 4.49Å; F190-L194 HydrophobicContact CE2-CD1 3.92Å; F190-L194 HydrophobicContact CE2-CG 4.2Å; F190-L194 HydrophobicContact CZ-CD1 3.37Å; F190-L194 HydrophobicContact CZ-CG 4.16Å; F190-L194 PolarHBondContact O-N 3.45Å; F190-Y230 HydrophobicContact CE1-CD2 4.37Å; F190-Y230 HydrophobicContact CE1-CE2 4.23Å; F190-T233 HydrophobicContact CE2-CG2 3.97Å; F190-T233 HydrophobicContact CZ-CG2 3.76Å; F190-C263 HydrophobicContact CE2-CB 4.14Å; F190-F267 HydrophobicContact CB-CD1 4.04Å; F190-F267 HydrophobicContact CB-CE1 4.41Å; F190-F267 HydrophobicContact CB-CG 4.37Å; F190-F267 HydrophobicContact CD2-CB 3.67Å; F190-F267 HydrophobicContact CD2-CD1 4.35Å; F190-F267 HydrophobicContact CD2-CD2 4.19Å; F190-F267 AromaticContact CD2-CG 3.84Å; F190-F267 HydrophobicContact CD2-CG 3.84Å; F190-F267 HydrophobicContact CE2-CB 4.26Å
191G91.5Very high92.3Very high21 Ų2148.2 Ų48.222%0.21629%0.285CS..Hα-helixtrans-60.7-43.3176.900000112.5F187 G188 C193 L194 I195F187-G191 PolarHBondContact O-N 3.07Å; G188-G191 PolarHBondContact O-N 2.95Å; G191-C193 PolarHBondContact O-N 3.03Å; G191-L194 PolarHBondContact O-N 3.3Å; G191-I195 WeakPolarHBondContact O-CB 3.39Å; G191-I195 WeakPolarHBondContact O-CD1 3.36Å; G191-I195 VanDerWaalsContact O-CG1 3.24Å; G191-I195 WeakPolarHBondContact O-CG1 3.38Å; G191-I195 PolarHBondContact O-N 2.92Å
192A93.3Very high92.2Very high56 Ų5645.8 Ų45.846%0.46327%0.269SS..Hα-helixtrans-62.3-41.3176.100000112.3G188 L189 F190 I195 F196G188-A192 WeakPolarHBondContact O-CB 3.24Å; G188-A192 PolarHBondContact O-N 3.4Å; L189-A192 PolarHBondContact O-N 3.5Å; F190-A192 PolarHBondContact O-N 3.26Å; A192-I195 PolarHBondContact O-N 3.32Å; A192-F196 WeakPolarHBondContact O-CB 3.4Å; A192-F196 PolarHBondContact O-N 2.9Å
193C92.7Very high92.2Very high28 Ų2847 Ų4719%0.18928%0.279CS..Hα-helixtrans-63.3-45.6176-173.70000111.6L189 F190 G191 I195 F196 I197 F267L189-C193 WeakPolarHBondContact O-CB 3.47Å; L189-C193 PolarHBondContact O-N 3.4Å; F190-C193 PolarHBondContact O-N 3.48Å; G191-C193 PolarHBondContact O-N 3.03Å; C193-I195 PolarHBondContact O-N 3.09Å; C193-F196 WeakPolarHBondContact O-CB 3.38Å; C193-F196 PolarHBondContact O-N 2.93Å; C193-I197 WeakPolarHBondContact O-CG1 3.37Å; C193-I197 PolarHBondContact O-N 3.25Å; C193-F267 HydrophobicContact CB-CE2 3.77Å; C193-F267 HydrophobicContact CB-CZ 4.02Å
194L93.2Very high92.1Very high5 Ų551.3 Ų51.33%0.02630%0.301CS..Hα-helixtrans-61.6-42.9176-83.5179000112.6F190 G191 F196 I197 S198 L226 F229 Y230 T233 C263F190-L194 HydrophobicContact CD1-CD1 4.17Å; F190-L194 HydrophobicContact CE1-CD1 3.5Å; F190-L194 VanDerWaalsContact CE1-CD1 3.5Å; F190-L194 HydrophobicContact CE1-CG 4.49Å; F190-L194 HydrophobicContact CE2-CD1 3.92Å; F190-L194 HydrophobicContact CE2-CG 4.2Å; F190-L194 HydrophobicContact CZ-CD1 3.37Å; F190-L194 HydrophobicContact CZ-CG 4.16Å; F190-L194 PolarHBondContact O-N 3.45Å; G191-L194 PolarHBondContact O-N 3.3Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 3.03Å; L194-I197 PolarHBondContact O-N 3.35Å; L194-S198 VanDerWaalsContact O-CB 3.27Å; L194-S198 WeakPolarHBondContact O-CB 3.4Å; L194-S198 PolarHBondContact O-N 3Å; L194-S198 PolarHBondContact O-OG 3.48Å; L194-L226 HydrophobicContact CB-CD1 4.34Å; L194-F229 HydrophobicContact CD2-CB 4.37Å; L194-Y230 HydrophobicContact CD1-CD2 3.95Å; L194-T233 HydrophobicContact CD1-CG2 4Å; L194-T233 HydrophobicContact CD2-CG2 3.65Å; L194-T233 HydrophobicContact CG-CG2 4.3Å; L194-C263 HydrophobicContact CD2-CB 4.48Å
195I94.7Very high91.9Very high73 Ų7346.7 Ų46.737%0.37428%0.277SS..Hα-helixtrans-60.1-46.4175.6-71164.9000110.1G191 A192 C193 S198 I199 F222 L226G191-I195 WeakPolarHBondContact O-CB 3.39Å; G191-I195 WeakPolarHBondContact O-CD1 3.36Å; G191-I195 VanDerWaalsContact O-CG1 3.24Å; G191-I195 WeakPolarHBondContact O-CG1 3.38Å; G191-I195 PolarHBondContact O-N 2.92Å; A192-I195 PolarHBondContact O-N 3.32Å; C193-I195 PolarHBondContact O-N 3.09Å; I195-S198 PolarHBondContact O-N 3.4Å; I195-I199 HydrophobicContact CG2-CD1 3.91Å; I195-I199 VanDerWaalsContact O-CG1 3.32Å; I195-I199 WeakPolarHBondContact O-CG1 3.38Å; I195-I199 PolarHBondContact O-N 2.82Å; I195-F222 HydrophobicContact CG2-CE2 4.47Å; I195-F222 HydrophobicContact CG2-CZ 4.13Å; I195-L226 HydrophobicContact CG1-CD1 4.01Å
196F94Very high91.4Very high131 Ų13143.8 Ų43.858%0.57526%0.264SS*.Hα-helixtrans-59.5-49.9178.3177.4-100.5000112.1A192 C193 L194 S198 I199 V200A192-F196 WeakPolarHBondContact O-CB 3.4Å; A192-F196 PolarHBondContact O-N 2.9Å; C193-F196 WeakPolarHBondContact O-CB 3.38Å; C193-F196 PolarHBondContact O-N 2.93Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 3.03Å; F196-S198 VanDerWaalsContact C-N 3.27Å; F196-S198 PolarHBondContact O-N 2.89Å; F196-I199 PolarHBondContact O-N 2.96Å; F196-V200 HydrophobicContact CD1-CG2 4.43Å; F196-V200 HydrophobicContact CE1-CG2 4.02Å; F196-V200 HydrophobicContact CE2-CG2 4.26Å; F196-V200 HydrophobicContact CZ-CG2 3.93Å; F196-V200 WeakPolarHBondContact O-CG2 3.49Å; F196-V200 PolarHBondContact O-N 3.17Å
197I92.3Very high91Very high6 Ų649.7 Ų49.73%0.03129%0.294CS..Hα-helixtrans-64.2-35.7179.4-62.9165.5000111.3C193 L194 V200 S201 F229 F258 I259C193-I197 WeakPolarHBondContact O-CG1 3.37Å; C193-I197 PolarHBondContact O-N 3.25Å; L194-I197 PolarHBondContact O-N 3.35Å; I197-V200 PolarHBondContact O-N 2.97Å; I197-S201 WeakPolarHBondContact O-CB 3.23Å; I197-S201 PolarHBondContact O-N 2.91Å; I197-S201 PolarHBondContact O-OG 3.37Å; I197-F229 HydrophobicContact CG2-CD2 4.2Å; I197-F229 HydrophobicContact CG2-CE2 4Å; I197-F258 HydrophobicContact CD1-CD1 4.19Å; I197-F258 HydrophobicContact CD1-CE1 3.98Å; I197-F258 HydrophobicContact CG1-CD1 4.43Å; I197-F258 HydrophobicContact CG1-CE1 4.04Å; I197-I259 HydrophobicContact CD1-CG1 4.43Å; I197-I259 HydrophobicContact CG2-CD1 3.81Å; I197-I259 HydrophobicContact CG2-CG1 3.64Å
198S93.4Very high90.8Very high0 Ų052.4 Ų52.40%031%0.308CS..Hα-helixtrans-64.6-42.5176.4-58.20000111.7L194 I195 F196 S201 L202L194-S198 VanDerWaalsContact O-CB 3.27Å; L194-S198 WeakPolarHBondContact O-CB 3.4Å; L194-S198 PolarHBondContact O-N 3Å; L194-S198 PolarHBondContact O-OG 3.48Å; I195-S198 PolarHBondContact O-N 3.4Å; F196-S198 VanDerWaalsContact C-N 3.27Å; F196-S198 PolarHBondContact O-N 2.89Å; S198-S201 PolarHBondContact O-N 2.98Å; S198-L202 VanDerWaalsContact O-CB 3.3Å; S198-L202 WeakPolarHBondContact O-CB 3.26Å; S198-L202 PolarHBondContact O-N 3.31Å
199I94Very high90.4Very high84 Ų8459.2 Ų59.243%0.43132%0.324SS..Hα-helixtrans-62.2-50.1175.1-67165.7000110.1I195 F196 S201 L202 T203 F222I195-I199 HydrophobicContact CG2-CD1 3.91Å; I195-I199 VanDerWaalsContact O-CG1 3.32Å; I195-I199 WeakPolarHBondContact O-CG1 3.38Å; I195-I199 PolarHBondContact O-N 2.82Å; F196-I199 PolarHBondContact O-N 2.96Å; I199-S201 VanDerWaalsContact C-N 3.32Å; I199-S201 PolarHBondContact O-N 2.91Å; I199-L202 PolarHBondContact O-N 2.88Å; I199-T203 WeakPolarHBondContact O-CG2 3.49Å; I199-T203 PolarHBondContact O-N 3.21Å; I199-T203 PolarHBondContact O-OG1 3.1Å; I199-F222 HydrophobicContact CG1-CD2 4.23Å; I199-F222 HydrophobicContact CG1-CE2 3.79Å
200V92.3Very high90.3Very high54 Ų5455.2 Ų55.233%0.32730%0.304SS..Hα-helixtrans-58.2-45.9179.8172.70000110.9F196 I197 T203 L204F196-V200 HydrophobicContact CD1-CG2 4.43Å; F196-V200 HydrophobicContact CE1-CG2 4.02Å; F196-V200 HydrophobicContact CE2-CG2 4.26Å; F196-V200 HydrophobicContact CZ-CG2 3.93Å; F196-V200 WeakPolarHBondContact O-CG2 3.49Å; F196-V200 PolarHBondContact O-N 3.17Å; I197-V200 PolarHBondContact O-N 2.97Å; V200-T203 WeakPolarHBondContact CA-OG1 3.29Å; V200-T203 PolarHBondContact O-N 3.42Å; V200-T203 PolarHBondContact O-OG1 3.27Å; V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.49Å; V200-L204 WeakPolarHBondContact O-CG 3.25Å; V200-L204 PolarHBondContact O-N 2.85Å
201S90.9Very high90.2Very high2 Ų259.1 Ų59.11%0.01433%0.328CS..Hα-helixtrans-69.6-37.1-178.3-56.70000112.5I197 S198 I199 T203 L204 L205 F229I197-S201 WeakPolarHBondContact O-CB 3.23Å; I197-S201 PolarHBondContact O-N 2.91Å; I197-S201 PolarHBondContact O-OG 3.37Å; S198-S201 PolarHBondContact O-N 2.98Å; I199-S201 VanDerWaalsContact C-N 3.32Å; I199-S201 PolarHBondContact O-N 2.91Å; S201-T203 VanDerWaalsContact C-N 3.32Å; S201-T203 PolarHBondContact O-N 3.02Å; S201-L204 PolarHBondContact O-N 3.2Å; S201-L205 WeakPolarHBondContact O-CB 3.41Å; S201-L205 PolarHBondContact O-N 2.97Å; S201-F229 VanDerWaalsContact CB-CE2 3.41Å; S201-F229 VanDerWaalsContact CB-CZ 3.45Å; S201-F229 WeakPolarHBondContact OG-CE2 3.46Å; S201-F229 WeakPolarHBondContact OG-CZ 3.49Å
202L91.3Very high90Very high48 Ų4859.7 Ų59.725%0.25132%0.324SS..Hα-helixtrans-61.8-41.8173.1-177.266.1000111S198 I199 L204 G206 L219 F222 V225S198-L202 VanDerWaalsContact O-CB 3.3Å; S198-L202 WeakPolarHBondContact O-CB 3.26Å; S198-L202 PolarHBondContact O-N 3.31Å; I199-L202 PolarHBondContact O-N 2.88Å; L202-L204 VanDerWaalsContact C-N 3.31Å; L202-L204 PolarHBondContact O-N 3.43Å; L202-G206 VanDerWaalsContact O-CA 3.31Å; L202-G206 WeakPolarHBondContact O-CA 3.43Å; L202-G206 PolarHBondContact O-N 3.48Å; L202-L219 WeakPolarHBondContact CD1-O 3.42Å; L202-F222 HydrophobicContact CD2-CB 3.96Å; L202-V225 HydrophobicContact CB-CG2 4.27Å; L202-V225 HydrophobicContact CD1-CG2 3.93Å
203T90.5Very high89.5Confident99 Ų9962 Ų6261%0.60733%0.334SS*.Hα-helixtrans-67.7-29.5177.157.80000113.5I199 V200 S201I199-T203 WeakPolarHBondContact O-CG2 3.49Å; I199-T203 PolarHBondContact O-N 3.21Å; I199-T203 PolarHBondContact O-OG1 3.1Å; V200-T203 WeakPolarHBondContact CA-OG1 3.29Å; V200-T203 PolarHBondContact O-N 3.42Å; V200-T203 PolarHBondContact O-OG1 3.27Å; S201-T203 VanDerWaalsContact C-N 3.32Å; S201-T203 PolarHBondContact O-N 3.02Å
204L89.1Confident88.8Confident90 Ų9064.3 Ų64.347%0.47135%0.345SS..Hα-helixtrans-84.1-35.4179.8-70.6172.3000113.2V200 S201 L202 I255V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.49Å; V200-L204 WeakPolarHBondContact O-CG 3.25Å; V200-L204 PolarHBondContact O-N 2.85Å; S201-L204 PolarHBondContact O-N 3.2Å; L202-L204 VanDerWaalsContact C-N 3.31Å; L202-L204 PolarHBondContact O-N 3.43Å; L204-I255 HydrophobicContact CD1-CD1 4Å
205L89.4Confident88.3Confident4 Ų466.6 Ų66.62%0.02137%0.369CS..Hα-helixtrans-112.7-20.5-168.6-63.7167.1000113.8S201 D207 M208 Y218 L219 A245 F252 I255S201-L205 WeakPolarHBondContact O-CB 3.41Å; S201-L205 PolarHBondContact O-N 2.97Å; L205-D207 VanDerWaalsContact C-N 3.31Å; L205-D207 PolarHBondContact O-N 2.91Å; L205-M208 WeakPolarHBondContact O-CB 3.46Å; L205-M208 PolarHBondContact O-N 3.13Å; L205-M208 VanDerWaalsContact O-N 3.12Å; L205-Y218 HydrophobicContact CB-CE1 4.48Å; L205-Y218 HydrophobicContact CD1-CE1 4.15Å; L205-L219 HydrophobicContact CD1-CD1 4.09Å; L205-A245 HydrophobicContact CD1-CB 4.39Å; L205-A245 HydrophobicContact CD2-CB 4.04Å; L205-F252 HydrophobicContact CD2-CD1 3.75Å; L205-F252 HydrophobicContact CD2-CD2 4.05Å; L205-F252 HydrophobicContact CD2-CE1 3.6Å; L205-F252 HydrophobicContact CD2-CE2 3.89Å; L205-F252 HydrophobicContact CD2-CG 3.98Å; L205-F252 HydrophobicContact CD2-CZ 3.68Å; L205-F252 HydrophobicContact CG-CE1 4.48Å; L205-I255 HydrophobicContact CD1-CD1 4.27Å
206G81.9Confident87.7Confident30 Ų3067 Ų6731%0.30937%0.372SS..G310 helixtrans-60.4-36.9-171.900000113.9L202 M208L202-G206 VanDerWaalsContact O-CA 3.31Å; L202-G206 WeakPolarHBondContact O-CA 3.43Å; L202-G206 PolarHBondContact O-N 3.48Å; G206-M208 VanDerWaalsContact C-N 3.26Å; G206-M208 PolarHBondContact O-N 2.81Å
207D81.9Confident87.4Confident149 Ų14967.9 Ų67.980%0.79738%0.376SS*.G310 helixtrans-75.4-14.2-178.7-69.9-21.9000113.6L205 K209L205-D207 VanDerWaalsContact C-N 3.31Å; L205-D207 PolarHBondContact O-N 2.91Å; D207-K209 VanDerWaalsContact C-N 3.31Å; D207-K209 PolarHBondContact O-N 3.34Å
208M84.9Confident87.2Confident62 Ų6268.2 Ų68.231%0.30538%0.377SS..G310 helixtrans-79.7-10.2-170.6-55.9-67.2-101.400113.5L205 G206 L210 Y248 F252L205-M208 WeakPolarHBondContact O-CB 3.46Å; L205-M208 PolarHBondContact O-N 3.13Å; L205-M208 VanDerWaalsContact O-N 3.12Å; G206-M208 VanDerWaalsContact C-N 3.26Å; G206-M208 PolarHBondContact O-N 2.81Å; M208-L210 HydrophobicContact CB-CD1 4.24Å; M208-L210 HydrophobicContact CB-CD2 4.4Å; M208-L210 HydrophobicContact CB-CG 3.9Å; M208-L210 PolarHBondContact O-N 3.4Å; M208-L210 VanDerWaalsContact O-N 3.14Å; M208-Y248 HydrophobicContact CE-CD1 3.71Å; M208-Y248 HydrophobicContact CE-CE1 3Å; M208-Y248 HydrophobicContact CE-CE2 4.11Å; M208-Y248 HydrophobicContact CE-CG 4.5Å; M208-Y248 WeakPolarHBondContact CE-OH 3.48Å; M208-F252 HydrophobicContact CE-CE2 4.31Å; M208-F252 HydrophobicContact CE-CZ 4.28Å
209K83.2Confident86.9Confident188 Ų18868.4 Ų68.482%0.81738%0.378SS*.  trans49.737.3177.9-61.9180-178.4173.60114.4D207D207-K209 VanDerWaalsContact C-N 3.31Å; D207-K209 PolarHBondContact O-N 3.34Å
210L89.8Confident86.5Confident25 Ų2569.1 Ų69.113%0.13138%0.376CS..  trans-67.6159.2177.7-57.1172.6000110.9M208 Y218 P244 A245 Y248M208-L210 HydrophobicContact CB-CD1 4.24Å; M208-L210 HydrophobicContact CB-CD2 4.4Å; M208-L210 HydrophobicContact CB-CG 3.9Å; M208-L210 PolarHBondContact O-N 3.4Å; M208-L210 VanDerWaalsContact O-N 3.14Å; L210-Y218 VanDerWaalsContact C-CB 3.44Å; L210-Y218 HydrophobicContact CB-CD1 3.76Å; L210-Y218 HydrophobicContact CB-CG 4Å; L210-Y218 HydrophobicContact CD1-CD1 3.88Å; L210-Y218 HydrophobicContact CD1-CE1 4.05Å; L210-Y218 HydrophobicContact CG-CD1 4.39Å; L210-Y218 WeakPolarHBondContact O-CB 3.16Å; L210-Y218 PolarHBondContact O-N 3.14Å; L210-P244 HydrophobicContact CB-CB 4.3Å; L210-A245 HydrophobicContact CD1-CB 4.39Å; L210-Y248 HydrophobicContact CD2-CD2 3.67Å; L210-Y248 HydrophobicContact CD2-CG 3.98Å
211T89.1Confident86.3Confident86 Ų8669.3 Ų69.353%0.52838%0.375SS..BIsolated β-bridgetrans-131.5142.6176.852.90000110.2N216T211-N216 CarbonylContact C-O 3.57Å; T211-N216 WeakPolarHBondContact CA-O 3.38Å
212Y87.4Confident86.4Confident33 Ų3372.4 Ų72.413%0.12939%0.389CS..  trans-64.4158.9167.5-74.1-72000110.9N214 G215 N216 Y218 P244Y212-N214 WeakPolarHBondContact CB-OD1 3.44Å; Y212-N214 PolarHBondContact O-N 3.37Å; Y212-N214 VanDerWaalsContact O-N 3.1Å; Y212-G215 WeakPolarHBondContact O-CA 3.4Å; Y212-G215 PolarHBondContact O-N 3.45Å; Y212-N216 HydrophobicContact CD2-CB 4.32Å; Y212-N216 PolarHBondContact N-O 3.02Å; Y212-Y218 HydrophobicContact CD1-CD2 4.11Å; Y212-Y218 HydrophobicContact CD2-CD2 4.2Å; Y212-Y218 AromaticContact CE1-CD2 3.6Å; Y212-Y218 HydrophobicContact CE1-CD2 3.6Å; Y212-Y218 AromaticContact CE1-CE2 3.81Å; Y212-Y218 HydrophobicContact CE1-CE2 3.81Å; Y212-Y218 AromaticContact CE2-CD2 3.73Å; Y212-Y218 HydrophobicContact CE2-CD2 3.73Å; Y212-Y218 HydrophobicContact CG-CD2 4.39Å; Y212-Y218 AromaticContact CZ-CD2 3.4Å; Y212-Y218 VanDerWaalsContact CZ-CD2 3.4Å; Y212-Y218 AromaticContact CZ-CE2 3.76Å; Y212-P244 HydrophobicContact CD1-CG 3.68Å; Y212-P244 HydrophobicContact CE1-CG 4.11Å; Y212-P244 HydrophobicContact CG-CG 4.32Å
213P84Confident86.4Confident104 Ų10474.4 Ų74.468%0.67540%0.399SS*.THydrogen-bonded Turntrans-57.3-26179.1-2735.3000114.7G215 L243P213-G215 PolarHBondContact O-N 2.97Å; P213-L243 HydrophobicContact CG-CD2 4.09Å
214N78.6Confident86.4Confident78 Ų7870.8 Ų70.842%0.41738%0.375SS..THydrogen-bonded Turntrans-79.8-0.2175.360.215.3000113.8Y212 N216 E580Y212-N214 WeakPolarHBondContact CB-OD1 3.44Å; Y212-N214 PolarHBondContact O-N 3.37Å; Y212-N214 VanDerWaalsContact O-N 3.1Å; N214-N216 WeakPolarHBondContact OD1-CB 3.27Å; N214-N216 PolarHBondContact OD1-N 3.34Å; N214-N216 VanDerWaalsContact OD1-N 3.1Å; N214-E580 PolarHBondContact ND2-OE1 2.78Å
215G80.9Confident86.6Confident53 Ų5366.5 Ų66.555%0.54635%0.353SS..SBendtrans88.7-2.5179.700000115Y212 P213Y212-G215 WeakPolarHBondContact O-CA 3.4Å; Y212-G215 PolarHBondContact O-N 3.45Å; P213-G215 PolarHBondContact O-N 2.97Å
216N83.8Confident86.8Confident82 Ų8268.8 Ų68.844%0.43937%0.365SS..PPolyproline II helixtrans-70.1146.6176.7-70.3-25.1000111.2T211 Y212 N214 Y218T211-N216 CarbonylContact C-O 3.57Å; T211-N216 WeakPolarHBondContact CA-O 3.38Å; Y212-N216 HydrophobicContact CD2-CB 4.32Å; Y212-N216 PolarHBondContact N-O 3.02Å; N214-N216 WeakPolarHBondContact OD1-CB 3.27Å; N214-N216 PolarHBondContact OD1-N 3.34Å; N214-N216 VanDerWaalsContact OD1-N 3.1Å; N216-Y218 PolarHBondContact O-N 3.47Å
217K86.9Confident87.4Confident149 Ų14968.1 Ų68.165%0.64835%0.353SS*.BIsolated β-bridgetrans-63128.9177.2-65.6-177.4-179.9179.80110.2Y220K217-Y220 HydrophobicContact CB-CD1 3.64Å; K217-Y220 HydrophobicContact CB-CE1 4.47Å; K217-Y220 HydrophobicContact CB-CG 3.97Å; K217-Y220 HydrophobicContact CD-CG 4.27Å
218Y89Confident87.9Confident12 Ų1263 Ų635%0.04732%0.324CS..SBendtrans-77.4127.2176.8-176.1-109.4000110.4L205 L210 Y212 N216 Y220 V241 P244 A245L205-Y218 HydrophobicContact CB-CE1 4.48Å; L205-Y218 HydrophobicContact CD1-CE1 4.15Å; L210-Y218 VanDerWaalsContact C-CB 3.44Å; L210-Y218 HydrophobicContact CB-CD1 3.76Å; L210-Y218 HydrophobicContact CB-CG 4Å; L210-Y218 HydrophobicContact CD1-CD1 3.88Å; L210-Y218 HydrophobicContact CD1-CE1 4.05Å; L210-Y218 HydrophobicContact CG-CD1 4.39Å; L210-Y218 WeakPolarHBondContact O-CB 3.16Å; L210-Y218 PolarHBondContact O-N 3.14Å; Y212-Y218 HydrophobicContact CD1-CD2 4.11Å; Y212-Y218 HydrophobicContact CD2-CD2 4.2Å; Y212-Y218 AromaticContact CE1-CD2 3.6Å; Y212-Y218 HydrophobicContact CE1-CD2 3.6Å; Y212-Y218 AromaticContact CE1-CE2 3.81Å; Y212-Y218 HydrophobicContact CE1-CE2 3.81Å; Y212-Y218 AromaticContact CE2-CD2 3.73Å; Y212-Y218 HydrophobicContact CE2-CD2 3.73Å; Y212-Y218 HydrophobicContact CG-CD2 4.39Å; Y212-Y218 AromaticContact CZ-CD2 3.4Å; Y212-Y218 VanDerWaalsContact CZ-CD2 3.4Å; Y212-Y218 AromaticContact CZ-CE2 3.76Å; N216-Y218 PolarHBondContact O-N 3.47Å; Y218-Y220 VanDerWaalsContact C-N 3.28Å; Y218-Y220 PolarHBondContact O-N 3.21Å; Y218-V241 VanDerWaalsContact CE2-O 3.23Å; Y218-V241 WeakPolarHBondContact CE2-O 3.33Å; Y218-V241 PolarHBondContact OH-O 2.97Å; Y218-P244 HydrophobicContact CD2-CB 3.86Å; Y218-P244 HydrophobicContact CD2-CG 3.68Å; Y218-P244 HydrophobicContact CE2-CB 4.13Å; Y218-P244 HydrophobicContact CE2-CG 3.95Å; Y218-P244 HydrophobicContact CG-CB 4.1Å; Y218-P244 HydrophobicContact CG-CG 4.37Å; Y218-A245 HydrophobicContact CE1-CB 4.07Å
219L86.7Confident88.3Confident5 Ų560.4 Ų60.43%0.02631%0.311CS..SBendtrans41.247.9167.7-61.2-172.5000115.1L202 L205 V225 E228 F229L202-L219 WeakPolarHBondContact CD1-O 3.42Å; L205-L219 HydrophobicContact CD1-CD1 4.09Å; L219-V225 HydrophobicContact CB-CG2 3.78Å; L219-V225 HydrophobicContact CD2-CB 4.32Å; L219-V225 HydrophobicContact CD2-CG1 4.38Å; L219-V225 HydrophobicContact CD2-CG2 4.02Å; L219-V225 HydrophobicContact CG-CG2 4.35Å; L219-E228 HydrophobicContact CD2-CB 4.11Å; L219-E228 HydrophobicContact CD2-CG 4.22Å; L219-F229 HydrophobicContact CD1-CE1 4.34Å; L219-F229 HydrophobicContact CD1-CZ 4.4Å
220Y84.3Confident88.8Confident98 Ų9852.2 Ų52.238%0.38428%0.275SS..  trans-87.8-15.4-166.970.6-86.5000115K217 Y218 D224 R623K217-Y220 HydrophobicContact CB-CD1 3.64Å; K217-Y220 HydrophobicContact CB-CE1 4.47Å; K217-Y220 HydrophobicContact CB-CG 3.97Å; K217-Y220 HydrophobicContact CD-CG 4.27Å; Y218-Y220 VanDerWaalsContact C-N 3.28Å; Y218-Y220 PolarHBondContact O-N 3.21Å; Y220-D224 HydrophobicContact CE1-CB 4.34Å; Y220-D224 WeakPolarHBondContact CE1-OD2 3.44Å; Y220-D224 PolarHBondContact OH-OD2 3.42Å; Y220-R623 PolarHBondContact OH-NH1 3.48Å; Y220-R623 PolarHBondContact OH-NH2 2.98Å
221D89.2Confident89Confident59 Ų5951 Ų5132%0.31627%0.269SS..SBendtrans-141.6148.9-179.7-175.215.5000109.4I223 D224 V225 R623D221-I223 VanDerWaalsContact C-N 3.26Å; D221-I223 PolarHBondContact O-N 3.17Å; D221-D224 PolarHBondContact O-N 2.88Å; D221-V225 WeakPolarHBondContact O-CG2 3.41Å; D221-V225 PolarHBondContact O-N 2.85Å; D221-R623 IonicContact OD2-NH1 3.99Å
222F92.3Very high89.3Confident67 Ų6747.1 Ų47.129%0.29425%0.245SC..Hα-helixtrans-54.4-41.5-177.4170.8-103.9000112.5I195 I199 L202 D224 V225 L226I195-F222 HydrophobicContact CG2-CE2 4.47Å; I195-F222 HydrophobicContact CG2-CZ 4.13Å; I199-F222 HydrophobicContact CG1-CD2 4.23Å; I199-F222 HydrophobicContact CG1-CE2 3.79Å; L202-F222 HydrophobicContact CD2-CB 3.96Å; F222-D224 VanDerWaalsContact C-N 3.28Å; F222-D224 PolarHBondContact O-N 3.21Å; F222-V225 PolarHBondContact O-N 3.33Å; F222-L226 HydrophobicContact CE1-CD2 4.26Å; F222-L226 HydrophobicContact CZ-CD2 4.25Å; F222-L226 WeakPolarHBondContact O-CB 3.3Å; F222-L226 PolarHBondContact O-N 3.34Å
223I91.4Very high89.5Confident90 Ų9045.7 Ų45.746%0.46224%0.24SC..Hα-helixtrans-63.3-37.5179.7-62.6174.8000111.1D221 W227D221-I223 VanDerWaalsContact C-N 3.26Å; D221-I223 PolarHBondContact O-N 3.17Å; I223-W227 VanDerWaalsContact O-CB 3.3Å; I223-W227 WeakPolarHBondContact O-CB 3.25Å; I223-W227 PolarHBondContact O-N 2.93Å
224D90.3Very high89.9Confident22 Ų2241.7 Ų41.712%0.11821%0.213CC..Hα-helixtrans-77-35.7179.1-76.1-22.7000111.6Y220 D221 F222 W227 E228 K626Y220-D224 HydrophobicContact CE1-CB 4.34Å; Y220-D224 WeakPolarHBondContact CE1-OD2 3.44Å; Y220-D224 PolarHBondContact OH-OD2 3.42Å; D221-D224 PolarHBondContact O-N 2.88Å; F222-D224 VanDerWaalsContact C-N 3.28Å; F222-D224 PolarHBondContact O-N 3.21Å; D224-W227 PolarHBondContact O-N 3.49Å; D224-E228 WeakPolarHBondContact O-CG 3.44Å; D224-E228 PolarHBondContact O-N 2.99Å; D224-K626 IonicContact OD1-NZ 2.92Å; D224-K626 PolarHBondContact OD1-NZ 3Å
225V93Very high90.6Very high0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-60.4-48.6170.5-1750000111.3L202 L219 D221 F222 W227 E228 F229L202-V225 HydrophobicContact CB-CG2 4.27Å; L202-V225 HydrophobicContact CD1-CG2 3.93Å; L219-V225 HydrophobicContact CB-CG2 3.78Å; L219-V225 HydrophobicContact CD2-CB 4.32Å; L219-V225 HydrophobicContact CD2-CG1 4.38Å; L219-V225 HydrophobicContact CD2-CG2 4.02Å; L219-V225 HydrophobicContact CG-CG2 4.35Å; D221-V225 WeakPolarHBondContact O-CG2 3.41Å; D221-V225 PolarHBondContact O-N 2.85Å; F222-V225 PolarHBondContact O-N 3.33Å; V225-W227 VanDerWaalsContact C-N 3.29Å; V225-W227 PolarHBondContact O-N 3.36Å; V225-E228 PolarHBondContact O-N 3.38Å; V225-F229 HydrophobicContact CG1-CD2 3.8Å; V225-F229 HydrophobicContact CG1-CE2 3.59Å; V225-F229 HydrophobicContact CG1-CG 4.36Å; V225-F229 HydrophobicContact CG1-CZ 3.98Å; V225-F229 WeakPolarHBondContact O-CB 3.49Å; V225-F229 WeakPolarHBondContact O-CG 3.45Å; V225-F229 PolarHBondContact O-N 3.22Å
226L93.9Very high91.2Very high52 Ų5239.5 Ų39.527%0.27219%0.194SC..Hα-helixtrans-60.3-41.1178.9-17665.9000111.5L194 I195 F222 Y230L194-L226 HydrophobicContact CB-CD1 4.34Å; I195-L226 HydrophobicContact CG1-CD1 4.01Å; F222-L226 HydrophobicContact CE1-CD2 4.26Å; F222-L226 HydrophobicContact CZ-CD2 4.25Å; F222-L226 WeakPolarHBondContact O-CB 3.3Å; F222-L226 PolarHBondContact O-N 3.34Å; L226-Y230 WeakPolarHBondContact O-CB 3.46Å; L226-Y230 PolarHBondContact O-N 3.27Å
227W93.8Very high91.6Very high16 Ų1635.9 Ų35.96%0.06117%0.174CC..Hα-helixtrans-63.5-52.7176.3171.9-98.7000112I223 D224 V225 F229 Y230 V231 W610 H611 T614 K626 I630I223-W227 VanDerWaalsContact O-CB 3.3Å; I223-W227 WeakPolarHBondContact O-CB 3.25Å; I223-W227 PolarHBondContact O-N 2.93Å; D224-W227 PolarHBondContact O-N 3.49Å; V225-W227 VanDerWaalsContact C-N 3.29Å; V225-W227 PolarHBondContact O-N 3.36Å; W227-F229 VanDerWaalsContact C-N 3.32Å; W227-F229 PolarHBondContact O-N 3.08Å; W227-Y230 PolarHBondContact O-N 2.86Å; W227-V231 HydrophobicContact CD2-CG2 4.23Å; W227-V231 HydrophobicContact CH2-CG2 4.5Å; W227-V231 HydrophobicContact CZ2-CG2 3.95Å; W227-V231 VanDerWaalsContact O-CG2 3.31Å; W227-V231 WeakPolarHBondContact O-CG2 3.29Å; W227-V231 PolarHBondContact O-N 3.3Å; W227-W610 HydrophobicContact CH2-CE3 4.46Å; W227-W610 AromaticContact CH2-CH2 3.57Å; W227-W610 HydrophobicContact CH2-CH2 3.57Å; W227-W610 AromaticContact CH2-CZ3 3.5Å; W227-W610 HydrophobicContact CH2-CZ3 3.5Å; W227-W610 HydrophobicContact CZ2-CH2 4.32Å; W227-W610 HydrophobicContact CZ2-CZ3 4.35Å; W227-W610 AromaticContact CZ3-CH2 3.9Å; W227-W610 HydrophobicContact CZ3-CH2 3.9Å; W227-W610 HydrophobicContact CZ3-CZ3 4.12Å; W227-H611 HydrophobicContact CZ2-CB 4.35Å; W227-T614 HydrophobicContact CH2-CG2 3.42Å; W227-T614 VanDerWaalsContact CH2-CG2 3.42Å; W227-T614 HydrophobicContact CZ2-CG2 3.67Å; W227-T614 HydrophobicContact CZ3-CG2 4.35Å; W227-K626 HydrophobicContact CD2-CD 3.67Å; W227-K626 HydrophobicContact CD2-CG 4.22Å; W227-K626 HydrophobicContact CE3-CB 3.98Å; W227-K626 HydrophobicContact CE3-CD 3.65Å; W227-K626 HydrophobicContact CE3-CG 3.9Å; W227-K626 HydrophobicContact CG-CD 4.04Å; W227-K626 VanDerWaalsContact CG-NZ 3.3Å; W227-K626 HydrophobicContact CH2-CB 4.38Å; W227-K626 HydrophobicContact CH2-CG 4.17Å; W227-K626 HydrophobicContact CZ2-CG 4.47Å; W227-K626 HydrophobicContact CZ3-CB 3.75Å; W227-K626 HydrophobicContact CZ3-CD 4.16Å; W227-K626 HydrophobicContact CZ3-CG 3.87Å; W227-I630 HydrophobicContact CE3-CD1 4.17Å; W227-I630 HydrophobicContact CZ3-CD1 3.96Å; W227-I630 HydrophobicContact CZ3-CG1 3.92Å
228E93.3Very high91.8Very high41 Ų4130.8 Ų30.819%0.19216%0.158CC..Hα-helixtrans-63.6-38.1-177.4-69.8-53.2144.800112.2L219 D224 V225 V231 L232 N237 V241L219-E228 HydrophobicContact CD2-CB 4.11Å; L219-E228 HydrophobicContact CD2-CG 4.22Å; D224-E228 WeakPolarHBondContact O-CG 3.44Å; D224-E228 PolarHBondContact O-N 2.99Å; V225-E228 PolarHBondContact O-N 3.38Å; E228-V231 PolarHBondContact O-N 3.16Å; E228-L232 WeakPolarHBondContact O-CB 3.32Å; E228-L232 PolarHBondContact O-N 3.42Å; E228-N237 PolarHBondContact O-ND2 2.9Å; E228-N237 PolarHBondContact OE2-ND2 3.11Å; E228-V241 HydrophobicContact CB-CG2 3.92Å
229F93.8Very high92Very high8 Ų834.2 Ų34.24%0.03518%0.181CC..Hα-helixtrans-72.3-36.1175.8-72.3-4.6000113L194 I197 S201 L219 V225 W227 V231 L232 T233 I259L194-F229 HydrophobicContact CD2-CB 4.37Å; I197-F229 HydrophobicContact CG2-CD2 4.2Å; I197-F229 HydrophobicContact CG2-CE2 4Å; S201-F229 VanDerWaalsContact CB-CE2 3.41Å; S201-F229 VanDerWaalsContact CB-CZ 3.45Å; S201-F229 WeakPolarHBondContact OG-CE2 3.46Å; S201-F229 WeakPolarHBondContact OG-CZ 3.49Å; L219-F229 HydrophobicContact CD1-CE1 4.34Å; L219-F229 HydrophobicContact CD1-CZ 4.4Å; V225-F229 HydrophobicContact CG1-CD2 3.8Å; V225-F229 HydrophobicContact CG1-CE2 3.59Å; V225-F229 HydrophobicContact CG1-CG 4.36Å; V225-F229 HydrophobicContact CG1-CZ 3.98Å; V225-F229 WeakPolarHBondContact O-CB 3.49Å; V225-F229 WeakPolarHBondContact O-CG 3.45Å; V225-F229 PolarHBondContact O-N 3.22Å; W227-F229 VanDerWaalsContact C-N 3.32Å; W227-F229 PolarHBondContact O-N 3.08Å; F229-V231 VanDerWaalsContact C-N 3.34Å; F229-L232 WeakPolarHBondContact O-CB 3.35Å; F229-L232 PolarHBondContact O-N 3.43Å; F229-T233 VanDerWaalsContact O-CG2 3.26Å; F229-T233 WeakPolarHBondContact O-CG2 3.36Å; F229-T233 PolarHBondContact O-N 3.39Å; F229-I259 HydrophobicContact CD1-CD1 3.95Å; F229-I259 HydrophobicContact CD2-CD1 3.94Å; F229-I259 HydrophobicContact CE1-CD1 3.83Å; F229-I259 HydrophobicContact CE2-CD1 3.81Å; F229-I259 HydrophobicContact CG-CD1 4Å; F229-I259 HydrophobicContact CZ-CD1 3.75Å
230Y93.8Very high92.2Very high17 Ų1738.9 Ų38.97%0.06721%0.206CC..Hα-helixtrans-61.2-44.9171177.8-100.1000111.1F190 L194 L226 W227 L232 T233 W610 I630 H633 W634F190-Y230 HydrophobicContact CE1-CD2 4.37Å; F190-Y230 HydrophobicContact CE1-CE2 4.23Å; L194-Y230 HydrophobicContact CD1-CD2 3.95Å; L226-Y230 WeakPolarHBondContact O-CB 3.46Å; L226-Y230 PolarHBondContact O-N 3.27Å; W227-Y230 PolarHBondContact O-N 2.86Å; Y230-L232 VanDerWaalsContact C-N 3.28Å; Y230-L232 PolarHBondContact O-N 3.26Å; Y230-T233 WeakPolarHBondContact O-CB 3.42Å; Y230-T233 PolarHBondContact O-N 3.07Å; Y230-T233 VanDerWaalsContact O-N 3.14Å; Y230-T233 PolarHBondContact O-OG1 3Å; Y230-W610 AromaticContact CD1-CH2 3.95Å; Y230-W610 HydrophobicContact CD1-CH2 3.95Å; Y230-W610 HydrophobicContact CD1-CZ2 4.04Å; Y230-W610 AromaticContact CE1-CH2 3.62Å; Y230-W610 HydrophobicContact CE1-CH2 3.62Å; Y230-W610 AromaticContact CE1-CZ2 3.8Å; Y230-W610 HydrophobicContact CE1-CZ2 3.8Å; Y230-I630 HydrophobicContact CD1-CG1 4.49Å; Y230-I630 HydrophobicContact CE1-CG1 4.08Å; Y230-H633 AromaticContact CZ-CD2 3.99Å; Y230-H633 PolarHBondContact OH-CD2 3.38Å; Y230-W634 AromaticContact CE2-NE1 3.75Å; Y230-W634 AromaticContact CZ-NE1 3.84Å; Y230-W634 PolarHBondContact OH-NE1 2.92Å
231V94.3Very high92.6Very high0 Ų034.4 Ų34.40%019%0.189CC..Hα-helixtrans-60.8-38.9173.9177.40000110.9W227 E228 F229 T233 T234 T235 A236 N237 W610 H611W227-V231 HydrophobicContact CD2-CG2 4.23Å; W227-V231 HydrophobicContact CH2-CG2 4.5Å; W227-V231 HydrophobicContact CZ2-CG2 3.95Å; W227-V231 VanDerWaalsContact O-CG2 3.31Å; W227-V231 WeakPolarHBondContact O-CG2 3.29Å; W227-V231 PolarHBondContact O-N 3.3Å; E228-V231 PolarHBondContact O-N 3.16Å; F229-V231 VanDerWaalsContact C-N 3.34Å; V231-T233 VanDerWaalsContact C-N 3.27Å; V231-T233 PolarHBondContact O-N 3.35Å; V231-T234 WeakPolarHBondContact O-CA 3.48Å; V231-T234 WeakPolarHBondContact O-CB 3.32Å; V231-T234 PolarHBondContact O-N 2.89Å; V231-T234 PolarHBondContact O-OG1 3.27Å; V231-T235 PolarHBondContact O-N 2.85Å; V231-A236 HydrophobicContact CG1-CB 4Å; V231-N237 HydrophobicContact CG1-CB 3.78Å; V231-N237 VanDerWaalsContact CG1-CG 3.46Å; V231-W610 HydrophobicContact CB-CZ2 4.45Å; V231-W610 HydrophobicContact CG2-CH2 4.18Å; V231-W610 HydrophobicContact CG2-CZ2 3.75Å; V231-H611 HydrophobicContact CB-CB 4.4Å; V231-H611 HydrophobicContact CG1-CB 3.6Å; V231-H611 HydrophobicContact CG2-CB 3.82Å
232L94Very high92.7Very high3 Ų332.4 Ų32.42%0.01618%0.178CC..Hα-helixtrans-62-32.3176.3178.159.2000112.8E228 F229 Y230 T234 T235 N237 V241 Y256 I259E228-L232 WeakPolarHBondContact O-CB 3.32Å; E228-L232 PolarHBondContact O-N 3.42Å; F229-L232 WeakPolarHBondContact O-CB 3.35Å; F229-L232 PolarHBondContact O-N 3.43Å; Y230-L232 VanDerWaalsContact C-N 3.28Å; Y230-L232 PolarHBondContact O-N 3.26Å; L232-T234 PolarHBondContact O-N 3.15Å; L232-T235 WeakPolarHBondContact O-CA 3.35Å; L232-T235 PolarHBondContact O-N 3.04Å; L232-N237 WeakPolarHBondContact CA-OD1 3.44Å; L232-N237 WeakPolarHBondContact CB-OD1 3.42Å; L232-N237 PolarHBondContact N-OD1 3.37Å; L232-N237 VanDerWaalsContact N-OD1 3.09Å; L232-V241 HydrophobicContact CB-CG1 4.39Å; L232-V241 HydrophobicContact CD1-CG1 3.95Å; L232-V241 HydrophobicContact CD2-CG1 3.95Å; L232-V241 HydrophobicContact CG-CG1 4.31Å; L232-Y256 HydrophobicContact CD1-CD2 4.19Å; L232-Y256 HydrophobicContact CD1-CE2 3.64Å; L232-Y256 HydrophobicContact CD2-CD2 4Å; L232-Y256 HydrophobicContact CD2-CE2 4.3Å; L232-I259 HydrophobicContact CD2-CB 4.15Å; L232-I259 HydrophobicContact CD2-CD1 4.2Å; L232-I259 HydrophobicContact CD2-CG2 3.7Å; L232-I259 HydrophobicContact CG-CG2 4.1Å
233T91.6Very high92.7Very high3 Ų332.2 Ų32.22%0.01818%0.18CC..Hα-helixtrans-62-27.417471.90000113F190 L194 F229 Y230 V231 T235 C263F190-T233 HydrophobicContact CE2-CG2 3.97Å; F190-T233 HydrophobicContact CZ-CG2 3.76Å; L194-T233 HydrophobicContact CD1-CG2 4Å; L194-T233 HydrophobicContact CD2-CG2 3.65Å; L194-T233 HydrophobicContact CG-CG2 4.3Å; F229-T233 VanDerWaalsContact O-CG2 3.26Å; F229-T233 WeakPolarHBondContact O-CG2 3.36Å; F229-T233 PolarHBondContact O-N 3.39Å; Y230-T233 WeakPolarHBondContact O-CB 3.42Å; Y230-T233 PolarHBondContact O-N 3.07Å; Y230-T233 VanDerWaalsContact O-N 3.14Å; Y230-T233 PolarHBondContact O-OG1 3Å; V231-T233 VanDerWaalsContact C-N 3.27Å; V231-T233 PolarHBondContact O-N 3.35Å; T233-T235 VanDerWaalsContact C-N 3.3Å; T233-C263 HydrophobicContact CG2-CB 3.58Å
234T91.9Very high92.8Very high20 Ų2028.2 Ų28.212%0.12316%0.16CC..THydrogen-bonded Turntrans-86.5-0.217470.70000113V231 L232 A236 W610 H633V231-T234 WeakPolarHBondContact O-CA 3.48Å; V231-T234 WeakPolarHBondContact O-CB 3.32Å; V231-T234 PolarHBondContact O-N 2.89Å; V231-T234 PolarHBondContact O-OG1 3.27Å; L232-T234 PolarHBondContact O-N 3.15Å; T234-A236 PolarHBondContact O-N 2.75Å; T234-A236 VanDerWaalsContact O-N 3.15Å; T234-A236 WeakPolarHBondContact OG1-CB 3.43Å; T234-W610 HydrophobicContact CG2-CZ2 4.46Å; T234-W610 PolarHBondContact OG1-NE1 3.26Å; T234-H633 VanDerWaalsContact CG2-CE1 3.46Å; T234-H633 WeakPolarHBondContact CG2-CE1 3.44Å
235T93.3Very high92.9Very high75 Ų7527.1 Ų27.146%0.4615%0.154SC..THydrogen-bonded Turntrans59.812.6-174.663.40000115.6V231 L232 T233 N264V231-T235 PolarHBondContact O-N 2.85Å; L232-T235 WeakPolarHBondContact O-CA 3.35Å; L232-T235 PolarHBondContact O-N 3.04Å; T233-T235 VanDerWaalsContact C-N 3.3Å; T235-N264 WeakPolarHBondContact CG2-ND2 3.38Å
236A93.5Very high92.9Very high11 Ų1131.6 Ų31.69%0.09117%0.171CC..THydrogen-bonded Turntrans-77.2-25.6-172.300000114.5V231 T234 H611V231-A236 HydrophobicContact CG1-CB 4Å; T234-A236 PolarHBondContact O-N 2.75Å; T234-A236 VanDerWaalsContact O-N 3.15Å; T234-A236 WeakPolarHBondContact OG1-CB 3.43Å; A236-H611 PolarHBondContact O-CE1 3.46Å
237N92.7Very high92.8Very high5 Ų535.4 Ų35.43%0.02719%0.188CC..THydrogen-bonded Turntrans-112.121.9177.364.9-11.5000112.3E228 V231 L232 D240 V241E228-N237 PolarHBondContact O-ND2 2.9Å; E228-N237 PolarHBondContact OE2-ND2 3.11Å; V231-N237 HydrophobicContact CG1-CB 3.78Å; V231-N237 VanDerWaalsContact CG1-CG 3.46Å; L232-N237 WeakPolarHBondContact CA-OD1 3.44Å; L232-N237 WeakPolarHBondContact CB-OD1 3.42Å; L232-N237 PolarHBondContact N-OD1 3.37Å; L232-N237 VanDerWaalsContact N-OD1 3.09Å; N237-D240 PolarHBondContact O-N 3.37Å; N237-V241 PolarHBondContact O-N 3.2Å
238S92.5Very high92.7Very high43 Ų4341 Ų4130%0.30121%0.21SC..THydrogen-bonded Turntrans-89.4132.3172.61730000109.8Y256S238-Y256 PolarHBondContact OG-OH 3.14Å
239P92Very high92.6Very high84 Ų8442 Ų4255%0.54522%0.217SC..THydrogen-bonded Turncis-92.62.93.436.8-35.2000114.7V241 I242P239-V241 VanDerWaalsContact C-N 3.28Å; P239-V241 PolarHBondContact O-N 3.48Å; P239-V241 VanDerWaalsContact O-N 3.13Å; P239-I242 WeakPolarHBondContact O-CG2 3.49Å; P239-I242 PolarHBondContact O-N 2.96Å
240D91.4Very high92.6Very high102 Ų10247.4 Ų47.455%0.54524%0.242SC..G310 helixtrans-55.7-36.6-167.2-56.7-24000114.4N237 I242 L243N237-D240 PolarHBondContact O-N 3.37Å; D240-I242 VanDerWaalsContact C-N 3.31Å; D240-I242 PolarHBondContact O-N 3.41Å; D240-L243 PolarHBondContact O-N 2.6Å
241V92.3Very high92.5Very high5 Ų555 Ų553%0.0327%0.272CS..G310 helixtrans-64.1-28.5-177.468.40000114Y218 E228 L232 N237 P239Y218-V241 VanDerWaalsContact CE2-O 3.23Å; Y218-V241 WeakPolarHBondContact CE2-O 3.33Å; Y218-V241 PolarHBondContact OH-O 2.97Å; E228-V241 HydrophobicContact CB-CG2 3.92Å; L232-V241 HydrophobicContact CB-CG1 4.39Å; L232-V241 HydrophobicContact CD1-CG1 3.95Å; L232-V241 HydrophobicContact CD2-CG1 3.95Å; L232-V241 HydrophobicContact CG-CG1 4.31Å; N237-V241 PolarHBondContact O-N 3.2Å; P239-V241 VanDerWaalsContact C-N 3.28Å; P239-V241 PolarHBondContact O-N 3.48Å; P239-V241 VanDerWaalsContact O-N 3.13Å
242I92.3Very high92.4Very high16 Ų1656.7 Ų56.78%0.08228%0.279CS..G310 helixtrans-93.5-15.7-177.2-167.261.2000112.8P239 D240 A245 Y246 I253 Y256P239-I242 WeakPolarHBondContact O-CG2 3.49Å; P239-I242 PolarHBondContact O-N 2.96Å; D240-I242 VanDerWaalsContact C-N 3.31Å; D240-I242 PolarHBondContact O-N 3.41Å; I242-A245 HydrophobicContact CD1-CB 4.11Å; I242-A245 PolarHBondContact O-N 3.45Å; I242-A245 VanDerWaalsContact O-N 3.12Å; I242-Y246 PolarHBondContact O-N 3.18Å; I242-I253 HydrophobicContact CG1-CD1 4.25Å; I242-I253 HydrophobicContact CG2-CD1 4.34Å; I242-Y256 HydrophobicContact CB-CD2 3.93Å; I242-Y256 HydrophobicContact CB-CG 4.22Å; I242-Y256 HydrophobicContact CG1-CD2 4.47Å; I242-Y256 HydrophobicContact CG1-CG 4.29Å; I242-Y256 HydrophobicContact CG2-CD2 3.92Å; I242-Y256 HydrophobicContact CG2-CE2 4.38Å; I242-Y256 HydrophobicContact CG2-CG 4.18Å
243L92.2Very high92.3Very high63 Ų6359 Ų5933%0.3329%0.291SS..Hα-helixtrans-54.6-48.3-167.4-174.767000113.5P213 D240 A245 Y246 E247P213-L243 HydrophobicContact CG-CD2 4.09Å; D240-L243 PolarHBondContact O-N 2.6Å; L243-A245 VanDerWaalsContact C-N 3.34Å; L243-A245 PolarHBondContact O-N 3.48Å; L243-Y246 PolarHBondContact O-N 2.85Å; L243-E247 HydrophobicContact CD1-CG 4.17Å; L243-E247 HydrophobicContact CG-CG 4.38Å; L243-E247 WeakPolarHBondContact O-CG 3.48Å; L243-E247 PolarHBondContact O-N 3.22Å
244P92.4Very high92.3Very high6 Ų664 Ų644%0.03932%0.316CS..Hα-helixtrans-63.7-36.1-179.5-2436.8000113.8L210 Y212 Y218 Y248L210-P244 HydrophobicContact CB-CB 4.3Å; Y212-P244 HydrophobicContact CD1-CG 3.68Å; Y212-P244 HydrophobicContact CE1-CG 4.11Å; Y212-P244 HydrophobicContact CG-CG 4.32Å; Y218-P244 HydrophobicContact CD2-CB 3.86Å; Y218-P244 HydrophobicContact CD2-CG 3.68Å; Y218-P244 HydrophobicContact CE2-CB 4.13Å; Y218-P244 HydrophobicContact CE2-CG 3.95Å; Y218-P244 HydrophobicContact CG-CB 4.1Å; Y218-P244 HydrophobicContact CG-CG 4.37Å; P244-Y248 PolarHBondContact O-N 3.28Å
245A92.3Very high92.2Very high0 Ų064.3 Ų64.30%032%0.317CS..Hα-helixtrans-72.6-39176.500000111.2L205 L210 Y218 I242 L243 Y248 N249 F252L205-A245 HydrophobicContact CD1-CB 4.39Å; L205-A245 HydrophobicContact CD2-CB 4.04Å; L210-A245 HydrophobicContact CD1-CB 4.39Å; Y218-A245 HydrophobicContact CE1-CB 4.07Å; I242-A245 HydrophobicContact CD1-CB 4.11Å; I242-A245 PolarHBondContact O-N 3.45Å; I242-A245 VanDerWaalsContact O-N 3.12Å; L243-A245 VanDerWaalsContact C-N 3.34Å; L243-A245 PolarHBondContact O-N 3.48Å; A245-Y248 PolarHBondContact O-N 3.4Å; A245-N249 PolarHBondContact O-N 3.49Å; A245-F252 HydrophobicContact CB-CB 3.95Å; A245-F252 HydrophobicContact CB-CD2 4.33Å; A245-F252 HydrophobicContact CB-CG 4.3Å; A245-F252 WeakPolarHBondContact O-CD2 3.5Å
246Y92.8Very high92.1Very high93 Ų9362.7 Ų62.737%0.36530%0.303SS..Hα-helixtrans-64.8-44.4177.4-175.3-104.7000112.3I242 L243 Y248 N249 H250 I253I242-Y246 PolarHBondContact O-N 3.18Å; L243-Y246 PolarHBondContact O-N 2.85Å; Y246-Y248 VanDerWaalsContact C-N 3.27Å; Y246-Y248 PolarHBondContact O-N 2.92Å; Y246-N249 CarbonylContact O-C 3.21Å; Y246-N249 PolarHBondContact O-N 3.44Å; Y246-H250 HydrophobicContact CE2-CB 3.99Å; Y246-H250 AromaticContact CZ-CD2 3.94Å; Y246-H250 PolarHBondContact O-CD2 3.32Å; Y246-H250 PolarHBondContact O-N 3.1Å; Y246-I253 HydrophobicContact CD2-CB 3.94Å; Y246-I253 HydrophobicContact CD2-CD1 4.08Å; Y246-I253 HydrophobicContact CD2-CG1 4.36Å; Y246-I253 HydrophobicContact CE2-CB 4.13Å; Y246-I253 HydrophobicContact CE2-CD1 4.43Å; Y246-I253 HydrophobicContact CE2-CG1 4.4Å
247E92.3Very high92.1Very high133 Ų13366.8 Ų66.862%0.62132%0.322SS*.Hα-helixtrans-62.3-34.5176.1-73.6179.4172.500112.3L243L243-E247 HydrophobicContact CD1-CG 4.17Å; L243-E247 HydrophobicContact CG-CG 4.38Å; L243-E247 WeakPolarHBondContact O-CG 3.48Å; L243-E247 PolarHBondContact O-N 3.22Å
248Y91.4Very high92Very high132 Ų13271.3 Ų71.352%0.51834%0.342SS..Hα-helixtrans-69.7-48.2174.4-177-83.4000111.9M208 L210 P244 A245 Y246 F252M208-Y248 HydrophobicContact CE-CD1 3.71Å; M208-Y248 HydrophobicContact CE-CE1 3Å; M208-Y248 HydrophobicContact CE-CE2 4.11Å; M208-Y248 HydrophobicContact CE-CG 4.5Å; M208-Y248 WeakPolarHBondContact CE-OH 3.48Å; L210-Y248 HydrophobicContact CD2-CD2 3.67Å; L210-Y248 HydrophobicContact CD2-CG 3.98Å; P244-Y248 PolarHBondContact O-N 3.28Å; A245-Y248 PolarHBondContact O-N 3.4Å; Y246-Y248 VanDerWaalsContact C-N 3.27Å; Y246-Y248 PolarHBondContact O-N 2.92Å; Y248-F252 HydrophobicContact CD1-CD2 4.46Å; Y248-F252 AromaticContact CD1-CE2 3.82Å; Y248-F252 HydrophobicContact CD1-CE2 3.82Å; Y248-F252 HydrophobicContact CE1-CE2 4.37Å
249N92.6Very high91.9Very high63 Ų6369.3 Ų69.334%0.33733%0.328SS..  trans-154.7123.3176.3-173.9-17000111.1A245 Y246 Y251 F252A245-N249 PolarHBondContact O-N 3.49Å; Y246-N249 CarbonylContact O-C 3.21Å; Y246-N249 PolarHBondContact O-N 3.44Å; N249-Y251 PolarHBondContact O-N 3.18Å; N249-Y251 WeakPolarHBondContact OD1-CD2 3.3Å; N249-Y251 PolarHBondContact OD1-N 3.44Å; N249-F252 HydrophobicContact CB-CD2 3.75Å; N249-F252 HydrophobicContact CB-CE2 3.88Å; N249-F252 PolarHBondContact O-N 2.98Å
250H93.3Very high91.9Very high122 Ų12266.1 Ų66.157%0.56531%0.308SS*.G310 helixtrans-55.8-28.1-178.7-60.5172.1000113.5Y246 F252 I253Y246-H250 HydrophobicContact CE2-CB 3.99Å; Y246-H250 AromaticContact CZ-CD2 3.94Å; Y246-H250 PolarHBondContact O-CD2 3.32Å; Y246-H250 PolarHBondContact O-N 3.1Å; H250-F252 PolarHBondContact O-N 3.02Å; H250-I253 WeakPolarHBondContact O-CB 3.3Å; H250-I253 WeakPolarHBondContact O-CG2 3.48Å; H250-I253 PolarHBondContact O-N 3.11Å
251Y92.2Very high91.9Very high177 Ų17764 Ų6469%0.69430%0.298SS*.G310 helixtrans-63.7-23.8178.6-69.2-64.7000113.9N249 I253 I254N249-Y251 PolarHBondContact O-N 3.18Å; N249-Y251 WeakPolarHBondContact OD1-CD2 3.3Å; N249-Y251 PolarHBondContact OD1-N 3.44Å; Y251-I253 PolarHBondContact O-N 2.89Å; Y251-I253 VanDerWaalsContact O-N 3.1Å; Y251-I254 WeakPolarHBondContact O-CB 3.36Å; Y251-I254 WeakPolarHBondContact O-CG1 3.31Å; Y251-I254 PolarHBondContact O-N 3.08Å; Y251-I254 VanDerWaalsContact O-N 3.11Å
252F91.5Very high91.9Very high34 Ų3465.5 Ų65.515%0.14931%0.306CS..G310 helixtrans-65.4-13.4178.2-72.4-55.6000113.5L205 M208 A245 Y248 N249 H250 I254 I255L205-F252 HydrophobicContact CD2-CD1 3.75Å; L205-F252 HydrophobicContact CD2-CD2 4.05Å; L205-F252 HydrophobicContact CD2-CE1 3.6Å; L205-F252 HydrophobicContact CD2-CE2 3.89Å; L205-F252 HydrophobicContact CD2-CG 3.98Å; L205-F252 HydrophobicContact CD2-CZ 3.68Å; L205-F252 HydrophobicContact CG-CE1 4.48Å; M208-F252 HydrophobicContact CE-CE2 4.31Å; M208-F252 HydrophobicContact CE-CZ 4.28Å; A245-F252 HydrophobicContact CB-CB 3.95Å; A245-F252 HydrophobicContact CB-CD2 4.33Å; A245-F252 HydrophobicContact CB-CG 4.3Å; A245-F252 WeakPolarHBondContact O-CD2 3.5Å; Y248-F252 HydrophobicContact CD1-CD2 4.46Å; Y248-F252 AromaticContact CD1-CE2 3.82Å; Y248-F252 HydrophobicContact CD1-CE2 3.82Å; Y248-F252 HydrophobicContact CE1-CE2 4.37Å; N249-F252 HydrophobicContact CB-CD2 3.75Å; N249-F252 HydrophobicContact CB-CE2 3.88Å; N249-F252 PolarHBondContact O-N 2.98Å; H250-F252 PolarHBondContact O-N 3.02Å; F252-I254 PolarHBondContact O-N 2.7Å; F252-I254 VanDerWaalsContact O-N 3.1Å; F252-I255 HydrophobicContact CD1-CD1 4.01Å; F252-I255 PolarHBondContact O-N 3.28Å; F252-I255 VanDerWaalsContact O-N 3.1Å
253I92.7Very high91.7Very high52 Ų5264.8 Ų64.827%0.26730%0.302SS..Hα-helixtrans-56.4-25.6170.8-158.962.6000112.8I242 Y246 H250 Y251 I255 Y256 L257I242-I253 HydrophobicContact CG1-CD1 4.25Å; I242-I253 HydrophobicContact CG2-CD1 4.34Å; Y246-I253 HydrophobicContact CD2-CB 3.94Å; Y246-I253 HydrophobicContact CD2-CD1 4.08Å; Y246-I253 HydrophobicContact CD2-CG1 4.36Å; Y246-I253 HydrophobicContact CE2-CB 4.13Å; Y246-I253 HydrophobicContact CE2-CD1 4.43Å; Y246-I253 HydrophobicContact CE2-CG1 4.4Å; H250-I253 WeakPolarHBondContact O-CB 3.3Å; H250-I253 WeakPolarHBondContact O-CG2 3.48Å; H250-I253 PolarHBondContact O-N 3.11Å; Y251-I253 PolarHBondContact O-N 2.89Å; Y251-I253 VanDerWaalsContact O-N 3.1Å; I253-I255 VanDerWaalsContact C-N 3.27Å; I253-I255 PolarHBondContact O-N 3.25Å; I253-Y256 HydrophobicContact CD1-CD1 4.1Å; I253-Y256 HydrophobicContact CD1-CG 4.42Å; I253-Y256 WeakPolarHBondContact O-CB 3.37Å; I253-Y256 PolarHBondContact O-N 2.93Å; I253-Y256 VanDerWaalsContact O-N 3.17Å; I253-L257 HydrophobicContact CG1-CG 4.47Å; I253-L257 WeakPolarHBondContact O-CG 3.45Å; I253-L257 PolarHBondContact O-N 3.16Å
254I91.6Very high91.5Very high108 Ų10863.6 Ų63.655%0.55430%0.296SS*.Hα-helixtrans-59.9-38.2178.3-64.8170.4000111Y251 F252 L257 F258Y251-I254 WeakPolarHBondContact O-CB 3.36Å; Y251-I254 WeakPolarHBondContact O-CG1 3.31Å; Y251-I254 PolarHBondContact O-N 3.08Å; Y251-I254 VanDerWaalsContact O-N 3.11Å; F252-I254 PolarHBondContact O-N 2.7Å; F252-I254 VanDerWaalsContact O-N 3.1Å; I254-L257 PolarHBondContact O-N 3.37Å; I254-F258 VanDerWaalsContact O-CB 3.3Å; I254-F258 WeakPolarHBondContact O-CB 3.44Å; I254-F258 PolarHBondContact O-N 2.99Å
255I89.1Confident91.3Very high26 Ų2672.2 Ų72.213%0.13333%0.328CS..Hα-helixtrans-62.8-45.9177.6-61.8174.5000109.9L204 L205 F252 I253 F258 I259L204-I255 HydrophobicContact CD1-CD1 4Å; L205-I255 HydrophobicContact CD1-CD1 4.27Å; F252-I255 HydrophobicContact CD1-CD1 4.01Å; F252-I255 PolarHBondContact O-N 3.28Å; F252-I255 VanDerWaalsContact O-N 3.1Å; I253-I255 VanDerWaalsContact C-N 3.27Å; I253-I255 PolarHBondContact O-N 3.25Å; I255-F258 WeakPolarHBondContact O-CB 3.21Å; I255-F258 PolarHBondContact O-N 2.89Å; I255-I259 HydrophobicContact CG2-CD1 3.93Å; I255-I259 WeakPolarHBondContact O-CG1 3.26Å; I255-I259 PolarHBondContact O-N 2.96Å
256Y92Very high91.3Very high42 Ų4276.8 Ų76.817%0.16535%0.352CS..Hα-helixtrans-61.4-48.2177.6171.9-90.1000111.9L232 S238 I242 I253 F258 I259 C260L232-Y256 HydrophobicContact CD1-CD2 4.19Å; L232-Y256 HydrophobicContact CD1-CE2 3.64Å; L232-Y256 HydrophobicContact CD2-CD2 4Å; L232-Y256 HydrophobicContact CD2-CE2 4.3Å; S238-Y256 PolarHBondContact OG-OH 3.14Å; I242-Y256 HydrophobicContact CB-CD2 3.93Å; I242-Y256 HydrophobicContact CB-CG 4.22Å; I242-Y256 HydrophobicContact CG1-CD2 4.47Å; I242-Y256 HydrophobicContact CG1-CG 4.29Å; I242-Y256 HydrophobicContact CG2-CD2 3.92Å; I242-Y256 HydrophobicContact CG2-CE2 4.38Å; I242-Y256 HydrophobicContact CG2-CG 4.18Å; I253-Y256 HydrophobicContact CD1-CD1 4.1Å; I253-Y256 HydrophobicContact CD1-CG 4.42Å; I253-Y256 WeakPolarHBondContact O-CB 3.37Å; I253-Y256 PolarHBondContact O-N 2.93Å; I253-Y256 VanDerWaalsContact O-N 3.17Å; Y256-F258 VanDerWaalsContact C-N 3.28Å; Y256-F258 PolarHBondContact O-N 3.3Å; Y256-I259 PolarHBondContact O-N 2.93Å; Y256-C260 PolarHBondContact O-N 3.12Å; Y256-C260 PolarHBondContact O-SG 3.42Å; Y256-C260 VanDerWaalsContact O-SG 3.41Å
257L92.4Very high91.2Very high96 Ų9673.2 Ų73.250%0.50334%0.338SS..Hα-helixtrans-60.3-39.4177.4-68.9175.2000111.7I253 I254 T261I253-L257 HydrophobicContact CG1-CG 4.47Å; I253-L257 WeakPolarHBondContact O-CG 3.45Å; I253-L257 PolarHBondContact O-N 3.16Å; I254-L257 PolarHBondContact O-N 3.37Å; L257-T261 WeakPolarHBondContact O-CB 3.23Å; L257-T261 VanDerWaalsContact O-CG2 3.27Å; L257-T261 WeakPolarHBondContact O-CG2 3.39Å; L257-T261 PolarHBondContact O-N 2.87Å; L257-T261 PolarHBondContact O-OG1 3.16Å
258F90.5Very high91Very high100 Ų10068.9 Ų68.944%0.43932%0.319SS..Hα-helixtrans-63.9-45.2176.2-173-101000112.1I197 I254 I255 Y256 T261 I262I197-F258 HydrophobicContact CD1-CD1 4.19Å; I197-F258 HydrophobicContact CD1-CE1 3.98Å; I197-F258 HydrophobicContact CG1-CD1 4.43Å; I197-F258 HydrophobicContact CG1-CE1 4.04Å; I254-F258 VanDerWaalsContact O-CB 3.3Å; I254-F258 WeakPolarHBondContact O-CB 3.44Å; I254-F258 PolarHBondContact O-N 2.99Å; I255-F258 WeakPolarHBondContact O-CB 3.21Å; I255-F258 PolarHBondContact O-N 2.89Å; Y256-F258 VanDerWaalsContact C-N 3.28Å; Y256-F258 PolarHBondContact O-N 3.3Å; F258-T261 WeakPolarHBondContact CA-OG1 3.45Å; F258-T261 PolarHBondContact O-N 3Å; F258-T261 PolarHBondContact O-OG1 3.43Å; F258-I262 HydrophobicContact CD1-CD1 3.97Å; F258-I262 HydrophobicContact CD2-CD1 3.7Å; F258-I262 HydrophobicContact CE1-CD1 3.49Å; F258-I262 VanDerWaalsContact CE1-CD1 3.49Å; F258-I262 HydrophobicContact CE2-CD1 3.21Å; F258-I262 HydrophobicContact CE2-CG1 4.43Å; F258-I262 HydrophobicContact CG-CD1 4.07Å; F258-I262 HydrophobicContact CZ-CD1 3.1Å; F258-I262 WeakPolarHBondContact O-CB 3.46Å; F258-I262 PolarHBondContact O-N 3.43Å
259I91.1Very high91Very high2 Ų264.5 Ų64.51%0.0131%0.314CS..Hα-helixtrans-63.8-46.4176.6-66.3164.6000111I197 F229 L232 I255 Y256 T261 C263I197-I259 HydrophobicContact CD1-CG1 4.43Å; I197-I259 HydrophobicContact CG2-CD1 3.81Å; I197-I259 HydrophobicContact CG2-CG1 3.64Å; F229-I259 HydrophobicContact CD1-CD1 3.95Å; F229-I259 HydrophobicContact CD2-CD1 3.94Å; F229-I259 HydrophobicContact CE1-CD1 3.83Å; F229-I259 HydrophobicContact CE2-CD1 3.81Å; F229-I259 HydrophobicContact CG-CD1 4Å; F229-I259 HydrophobicContact CZ-CD1 3.75Å; L232-I259 HydrophobicContact CD2-CB 4.15Å; L232-I259 HydrophobicContact CD2-CD1 4.2Å; L232-I259 HydrophobicContact CD2-CG2 3.7Å; L232-I259 HydrophobicContact CG-CG2 4.1Å; I255-I259 HydrophobicContact CG2-CD1 3.93Å; I255-I259 WeakPolarHBondContact O-CG1 3.26Å; I255-I259 PolarHBondContact O-N 2.96Å; Y256-I259 PolarHBondContact O-N 2.93Å; I259-T261 PolarHBondContact O-N 3.2Å; I259-C263 HydrophobicContact CG2-CB 4.19Å; I259-C263 WeakPolarHBondContact O-CA 3.47Å; I259-C263 WeakPolarHBondContact O-CB 3.39Å; I259-C263 PolarHBondContact O-N 2.79Å
260C92.2Very high91Very high17 Ų1765.2 Ų65.212%0.11532%0.316CS..Iπ-helixtrans-63.8-40179.7-68.20000112.3Y256 N264 W265Y256-C260 PolarHBondContact O-N 3.12Å; Y256-C260 PolarHBondContact O-SG 3.42Å; Y256-C260 VanDerWaalsContact O-SG 3.41Å; C260-N264 VanDerWaalsContact O-CB 3.27Å; C260-N264 WeakPolarHBondContact O-CB 3.37Å; C260-N264 PolarHBondContact O-N 3.33Å; C260-W265 PolarHBondContact O-N 3.32Å
261T91.5Very high90.8Very high57 Ų5759.6 Ų59.635%0.3529%0.29SS..Iπ-helixtrans-70.6-45.4179.349.40000112.3L257 F258 I259 W265 L266L257-T261 WeakPolarHBondContact O-CB 3.23Å; L257-T261 VanDerWaalsContact O-CG2 3.27Å; L257-T261 WeakPolarHBondContact O-CG2 3.39Å; L257-T261 PolarHBondContact O-N 2.87Å; L257-T261 PolarHBondContact O-OG1 3.16Å; F258-T261 WeakPolarHBondContact CA-OG1 3.45Å; F258-T261 PolarHBondContact O-N 3Å; F258-T261 PolarHBondContact O-OG1 3.43Å; I259-T261 PolarHBondContact O-N 3.2Å; T261-W265 HydrophobicContact CG2-CE3 3.93Å; T261-W265 HydrophobicContact CG2-CZ3 3.92Å; T261-W265 WeakPolarHBondContact O-CB 3.41Å; T261-L266 PolarHBondContact O-N 3.46Å
262I91.2Very high90.7Very high37 Ų3753.1 Ų53.119%0.1927%0.27CS..Iπ-helixtrans-80.9-55-176.7-68.2177.5000111.4F258 L266 F267F258-I262 HydrophobicContact CD1-CD1 3.97Å; F258-I262 HydrophobicContact CD2-CD1 3.7Å; F258-I262 HydrophobicContact CE1-CD1 3.49Å; F258-I262 VanDerWaalsContact CE1-CD1 3.49Å; F258-I262 HydrophobicContact CE2-CD1 3.21Å; F258-I262 HydrophobicContact CE2-CG1 4.43Å; F258-I262 HydrophobicContact CG-CD1 4.07Å; F258-I262 HydrophobicContact CZ-CD1 3.1Å; F258-I262 WeakPolarHBondContact O-CB 3.46Å; F258-I262 PolarHBondContact O-N 3.43Å; I262-L266 WeakPolarHBondContact O-CB 3.31Å; I262-F267 HydrophobicContact CG2-CD2 3.73Å; I262-F267 HydrophobicContact CG2-CE2 3.58Å; I262-F267 WeakPolarHBondContact O-CD2 3.4Å; I262-F267 PolarHBondContact O-N 3.19Å
263C89Confident90.7Very high0 Ų053.8 Ų53.80%028%0.281CS..Iπ-helixtrans-77.1-42.8-172-61.50000112.4F190 L194 T233 I259 F267 M268F190-C263 HydrophobicContact CE2-CB 4.14Å; L194-C263 HydrophobicContact CD2-CB 4.48Å; T233-C263 HydrophobicContact CG2-CB 3.58Å; I259-C263 HydrophobicContact CG2-CB 4.19Å; I259-C263 WeakPolarHBondContact O-CA 3.47Å; I259-C263 WeakPolarHBondContact O-CB 3.39Å; I259-C263 PolarHBondContact O-N 2.79Å; C263-F267 WeakPolarHBondContact O-CB 3.27Å; C263-M268 WeakPolarHBondContact O-CG 3.32Å; C263-M268 PolarHBondContact O-N 3.37Å
264N87Confident90.7Very high39 Ų3952.6 Ų52.621%0.20928%0.277CS..Iπ-helixtrans-83.2-61.5-178.9-178.57.7000111.2T235 C260 M268T235-N264 WeakPolarHBondContact CG2-ND2 3.38Å; C260-N264 VanDerWaalsContact O-CB 3.27Å; C260-N264 WeakPolarHBondContact O-CB 3.37Å; C260-N264 PolarHBondContact O-N 3.33Å; N264-M268 WeakPolarHBondContact O-CB 3.26Å; N264-M268 VanDerWaalsContact O-CG 3.31Å; N264-M268 WeakPolarHBondContact O-CG 3.38Å; N264-M268 PolarHBondContact O-N 3Å
265W89.3Confident90.6Very high187 Ų18747.4 Ų47.471%0.70825%0.251SS*.Iπ-helixtrans-72.2-48.5-173.3-62.5-12.8000114C260 T261C260-W265 PolarHBondContact O-N 3.32Å; T261-W265 HydrophobicContact CG2-CE3 3.93Å; T261-W265 HydrophobicContact CG2-CZ3 3.92Å; T261-W265 WeakPolarHBondContact O-CB 3.41Å
266L92.1Very high90.7Very high95 Ų9548.6 Ų48.650%0.49725%0.254SS..Iπ-helixtrans-75.3-59.2-177.3-178.373.4000111.3T261 I262 G269 I270T261-L266 PolarHBondContact O-N 3.46Å; I262-L266 WeakPolarHBondContact O-CB 3.31Å; L266-G269 PolarHBondContact O-N 3.25Å; L266-I270 HydrophobicContact CD1-CD1 3.84Å; L266-I270 HydrophobicContact CD1-CG1 4.49Å; L266-I270 HydrophobicContact CG-CD1 3.78Å; L266-I270 VanDerWaalsContact O-CG1 3.25Å; L266-I270 WeakPolarHBondContact O-CG1 3.39Å; L266-I270 PolarHBondContact O-N 2.85Å
267F90.4Very high90.6Very high19 Ų1951.3 Ų51.38%0.08327%0.272CS..Iπ-helixtrans-69-42.9-173.2-85.2-68.4000113.9L189 F190 C193 I262 C263 G269 I270 L271L189-F267 HydrophobicContact CB-CE1 4.36Å; L189-F267 HydrophobicContact CD2-CE1 3.85Å; L189-F267 HydrophobicContact CD2-CZ 4.27Å; L189-F267 HydrophobicContact CG-CE1 3.76Å; L189-F267 HydrophobicContact CG-CZ 3.97Å; F190-F267 HydrophobicContact CB-CD1 4.04Å; F190-F267 HydrophobicContact CB-CE1 4.41Å; F190-F267 HydrophobicContact CB-CG 4.37Å; F190-F267 HydrophobicContact CD2-CB 3.67Å; F190-F267 HydrophobicContact CD2-CD1 4.35Å; F190-F267 HydrophobicContact CD2-CD2 4.19Å; F190-F267 AromaticContact CD2-CG 3.84Å; F190-F267 HydrophobicContact CD2-CG 3.84Å; F190-F267 HydrophobicContact CE2-CB 4.26Å; C193-F267 HydrophobicContact CB-CE2 3.77Å; C193-F267 HydrophobicContact CB-CZ 4.02Å; I262-F267 HydrophobicContact CG2-CD2 3.73Å; I262-F267 HydrophobicContact CG2-CE2 3.58Å; I262-F267 WeakPolarHBondContact O-CD2 3.4Å; I262-F267 PolarHBondContact O-N 3.19Å; C263-F267 WeakPolarHBondContact O-CB 3.27Å; F267-G269 VanDerWaalsContact C-N 3.29Å; F267-G269 PolarHBondContact O-N 3.06Å; F267-I270 PolarHBondContact O-N 3.25Å; F267-L271 VanDerWaalsContact O-CB 3.25Å; F267-L271 WeakPolarHBondContact O-CB 3.49Å; F267-L271 PolarHBondContact O-N 3.26Å
268M88Confident90.5Very high42 Ų4247.7 Ų47.721%0.20725%0.254CS..Iπ-helixtrans-65.4-37.4177.5-55.2-67.3-9700110.9C263 N264 L271 T272 L638C263-M268 WeakPolarHBondContact O-CG 3.32Å; C263-M268 PolarHBondContact O-N 3.37Å; N264-M268 WeakPolarHBondContact O-CB 3.26Å; N264-M268 VanDerWaalsContact O-CG 3.31Å; N264-M268 WeakPolarHBondContact O-CG 3.38Å; N264-M268 PolarHBondContact O-N 3Å; M268-L271 PolarHBondContact O-N 2.88Å; M268-T272 PolarHBondContact O-N 2.95Å; M268-T272 PolarHBondContact O-OG1 2.87Å; M268-T272 VanDerWaalsContact O-OG1 3.11Å; M268-L638 HydrophobicContact CE-CD2 3.69Å; M268-L638 HydrophobicContact SD-CD2 4.27Å
269G90.7Very high90.3Very high40 Ų4043.1 Ų43.141%0.41223%0.234SC..Hα-helixtrans-61.4-47.9173.100000113.1L266 F267 L271 T272 A273L266-G269 PolarHBondContact O-N 3.25Å; F267-G269 VanDerWaalsContact C-N 3.29Å; F267-G269 PolarHBondContact O-N 3.06Å; G269-L271 VanDerWaalsContact C-N 3.32Å; G269-L271 PolarHBondContact O-N 2.73Å; G269-T272 PolarHBondContact O-N 2.94Å; G269-A273 WeakPolarHBondContact O-CB 3.49Å; G269-A273 PolarHBondContact O-N 3.42Å
270I92.5Very high90Very high77 Ų7746.3 Ų46.340%0.39525%0.248SC..Hα-helixtrans-61.4-41.9175.9-69.6168.7000110.9V186 L266 F267 A273 S274V186-I270 HydrophobicContact CG1-CG2 4.02Å; L266-I270 HydrophobicContact CD1-CD1 3.84Å; L266-I270 HydrophobicContact CD1-CG1 4.49Å; L266-I270 HydrophobicContact CG-CD1 3.78Å; L266-I270 VanDerWaalsContact O-CG1 3.25Å; L266-I270 WeakPolarHBondContact O-CG1 3.39Å; L266-I270 PolarHBondContact O-N 2.85Å; F267-I270 PolarHBondContact O-N 3.25Å; I270-A273 PolarHBondContact O-N 3.3Å; I270-S274 VanDerWaalsContact O-CB 3.29Å; I270-S274 WeakPolarHBondContact O-CB 3.44Å; I270-S274 PolarHBondContact O-N 3.43Å
271L89.6Confident89.8Confident4 Ų449.2 Ų49.22%0.02127%0.268CS..Hα-helixtrans-62.3-49.7179.3-173.8163.1000110.6V183 V186 F187 F267 M268 G269 A273 S274 V275 L638 N642V183-L271 HydrophobicContact CG1-CG 4.49Å; V186-L271 HydrophobicContact CG1-CB 4.5Å; F187-L271 HydrophobicContact CD1-CD1 3.95Å; F187-L271 HydrophobicContact CE1-CD1 3.41Å; F187-L271 VanDerWaalsContact CE1-CD1 3.41Å; F187-L271 HydrophobicContact CE1-CG 4.25Å; F187-L271 HydrophobicContact CZ-CD1 3.89Å; F187-L271 HydrophobicContact CZ-CD2 4.38Å; F187-L271 HydrophobicContact CZ-CG 4.25Å; F267-L271 VanDerWaalsContact O-CB 3.25Å; F267-L271 WeakPolarHBondContact O-CB 3.49Å; F267-L271 PolarHBondContact O-N 3.26Å; M268-L271 PolarHBondContact O-N 2.88Å; G269-L271 VanDerWaalsContact C-N 3.32Å; G269-L271 PolarHBondContact O-N 2.73Å; L271-A273 VanDerWaalsContact C-N 3.32Å; L271-A273 PolarHBondContact O-N 3.34Å; L271-S274 PolarHBondContact O-N 3.2Å; L271-V275 HydrophobicContact CD2-CG2 4Å; L271-V275 VanDerWaalsContact O-CG2 3.29Å; L271-V275 WeakPolarHBondContact O-CG2 3.24Å; L271-V275 PolarHBondContact O-N 2.86Å; L271-L638 HydrophobicContact CD1-CB 4.48Å; L271-L638 HydrophobicContact CD2-CB 4.47Å; L271-L638 WeakPolarHBondContact CD2-O 3.29Å; L271-N642 WeakPolarHBondContact CD2-ND2 3.43Å
272T90Very high89.5Confident42 Ų4246.8 Ų46.826%0.25825%0.253SS..Hα-helixtrans-59.9-42.6176.6-59.30000111.5M268 G269 V275 Y276 L645M268-T272 PolarHBondContact O-N 2.95Å; M268-T272 PolarHBondContact O-OG1 2.87Å; M268-T272 VanDerWaalsContact O-OG1 3.11Å; G269-T272 PolarHBondContact O-N 2.94Å; T272-V275 PolarHBondContact O-N 3.07Å; T272-Y276 WeakPolarHBondContact O-CB 3.48Å; T272-Y276 PolarHBondContact O-N 2.81Å; T272-L645 HydrophobicContact CG2-CD2 4.19Å
273A92.3Very high89.1Confident47 Ų4745.4 Ų45.439%0.38825%0.246SC..Hα-helixtrans-65.6-41.117700000112.7G269 I270 L271 Y276 N277G269-A273 WeakPolarHBondContact O-CB 3.49Å; G269-A273 PolarHBondContact O-N 3.42Å; I270-A273 PolarHBondContact O-N 3.3Å; L271-A273 VanDerWaalsContact C-N 3.32Å; L271-A273 PolarHBondContact O-N 3.34Å; A273-Y276 PolarHBondContact O-N 2.91Å; A273-N277 WeakPolarHBondContact O-CB 3.43Å; A273-N277 PolarHBondContact O-N 2.91Å; A273-N277 PolarHBondContact O-ND2 2.88Å
274S91.6Very high88.7Confident27 Ų2745.5 Ų45.519%0.18925%0.247CC..Hα-helixtrans-63.9-45.4176.5-172.20000111.1I270 L271 Y276 N277 S278I270-S274 VanDerWaalsContact O-CB 3.29Å; I270-S274 WeakPolarHBondContact O-CB 3.44Å; I270-S274 PolarHBondContact O-N 3.43Å; L271-S274 PolarHBondContact O-N 3.2Å; S274-Y276 VanDerWaalsContact C-N 3.34Å; S274-N277 PolarHBondContact O-N 2.89Å; S274-S278 WeakPolarHBondContact O-CB 3.5Å; S274-S278 PolarHBondContact O-N 3.21Å; S274-S278 PolarHBondContact O-OG 2.83Å
275V91Very high88.6Confident0 Ų046.6 Ų46.60%025%0.251CS..Hα-helixtrans-60.1-46175.4171.40000110.3T179 V183 L271 T272 Y279 N642 V643T179-V275 HydrophobicContact CG2-CG1 4.11Å; V183-V275 HydrophobicContact CB-CG2 4.47Å; V183-V275 HydrophobicContact CG1-CG2 4Å; V183-V275 HydrophobicContact CG2-CG2 3.83Å; L271-V275 HydrophobicContact CD2-CG2 4Å; L271-V275 VanDerWaalsContact O-CG2 3.29Å; L271-V275 WeakPolarHBondContact O-CG2 3.24Å; L271-V275 PolarHBondContact O-N 2.86Å; T272-V275 PolarHBondContact O-N 3.07Å; V275-Y279 WeakPolarHBondContact O-CB 3.34Å; V275-Y279 PolarHBondContact O-N 3.33Å; V275-N642 HydrophobicContact CB-CB 4.39Å; V275-N642 HydrophobicContact CG1-CB 4.01Å; V275-N642 HydrophobicContact CG2-CB 4.45Å; V275-V643 HydrophobicContact CG1-CB 4.37Å; V275-V643 HydrophobicContact CG1-CG2 3.47Å; V275-V643 VanDerWaalsContact CG1-CG2 3.47Å
276Y89.8Confident88.3Confident51 Ų5139.9 Ų39.920%0.223%0.227CC..Hα-helixtrans-59-50.3178172.2-91.3000112.2T272 A273 S274 Y279 K280 A646 E650T272-Y276 WeakPolarHBondContact O-CB 3.48Å; T272-Y276 PolarHBondContact O-N 2.81Å; A273-Y276 PolarHBondContact O-N 2.91Å; S274-Y276 VanDerWaalsContact C-N 3.34Å; Y276-Y279 PolarHBondContact O-N 3.15Å; Y276-K280 HydrophobicContact CE1-CD 4.31Å; Y276-K280 WeakPolarHBondContact O-CB 3.39Å; Y276-K280 PolarHBondContact O-N 3.3Å; Y276-A646 HydrophobicContact CD2-CB 3.63Å; Y276-A646 HydrophobicContact CG-CB 4.27Å; Y276-E650 PolarHBondContact OH-OE2 3.09Å
277N90.3Very high87.7Confident99 Ų9935.6 Ų35.653%0.52920%0.204SC..Hα-helixtrans-65.4-47.1-177.9-74.6-24.7000112.4A273 S274 Y279 K280 S281A273-N277 WeakPolarHBondContact O-CB 3.43Å; A273-N277 PolarHBondContact O-N 2.91Å; A273-N277 PolarHBondContact O-ND2 2.88Å; S274-N277 PolarHBondContact O-N 2.89Å; N277-Y279 VanDerWaalsContact C-N 3.34Å; N277-Y279 PolarHBondContact O-N 3.22Å; N277-K280 PolarHBondContact O-N 2.97Å; N277-S281 PolarHBondContact O-N 2.85Å
278S89.7Confident87.3Confident19 Ų1936.5 Ų36.513%0.13321%0.21CC..Hα-helixtrans-60.9-45.7176.1-69.80000110.9D182 S274 K280 S281 H282D182-S278 WeakPolarHBondContact CB-OG 3.32Å; S274-S278 WeakPolarHBondContact O-CB 3.5Å; S274-S278 PolarHBondContact O-N 3.21Å; S274-S278 PolarHBondContact O-OG 2.83Å; S278-K280 PolarHBondContact O-N 2.85Å; S278-S281 PolarHBondContact O-N 2.9Å; S278-H282 PolarHBondContact O-CD2 3.42Å; S278-H282 PolarHBondContact O-N 3.06Å
279Y87.3Confident87.1Confident4 Ų439.4 Ų39.42%0.01622%0.221CC..Hα-helixtrans-58.4-49.4177.4171.3-101.7000112.4V275 Y276 N277 S281 H282 L283 Y534 V643 A646 F647V275-Y279 WeakPolarHBondContact O-CB 3.34Å; V275-Y279 PolarHBondContact O-N 3.33Å; Y276-Y279 PolarHBondContact O-N 3.15Å; N277-Y279 VanDerWaalsContact C-N 3.34Å; N277-Y279 PolarHBondContact O-N 3.22Å; Y279-S281 VanDerWaalsContact C-N 3.33Å; Y279-S281 PolarHBondContact O-N 3.01Å; Y279-H282 PolarHBondContact O-N 3.14Å; Y279-L283 HydrophobicContact CE1-CD2 4.07Å; Y279-L283 WeakPolarHBondContact O-CB 3.24Å; Y279-L283 PolarHBondContact O-N 2.95Å; Y279-Y534 AromaticContact CE2-CE1 3.98Å; Y279-Y534 HydrophobicContact CE2-CE1 3.98Å; Y279-Y534 AromaticContact CE2-CZ 3.73Å; Y279-Y534 WeakPolarHBondContact CE2-OH 3.4Å; Y279-Y534 AromaticContact CZ-CZ 3.95Å; Y279-Y534 VanDerWaalsContact OH-CZ 3.31Å; Y279-Y534 PolarHBondContact OH-OH 2.89Å; Y279-V643 HydrophobicContact CD2-CG1 3.62Å; Y279-V643 HydrophobicContact CE2-CG1 3.77Å; Y279-V643 HydrophobicContact CG-CG1 4.27Å; Y279-A646 HydrophobicContact CD1-CB 4.15Å; Y279-F647 HydrophobicContact CE1-CB 4.11Å; Y279-F647 HydrophobicContact CE1-CD2 4.46Å; Y279-F647 VanDerWaalsContact OH-CD2 3.25Å; Y279-F647 WeakPolarHBondContact OH-CD2 3.37Å
280K85.2Confident86.8Confident69 Ų6938 Ų3830%0.321%0.205SC..Hα-helixtrans-57.9-45.7179.4-179.2169.1178.3143.90111.3Y276 N277 S278 H282 L283 G284 E650 F733Y276-K280 HydrophobicContact CE1-CD 4.31Å; Y276-K280 WeakPolarHBondContact O-CB 3.39Å; Y276-K280 PolarHBondContact O-N 3.3Å; N277-K280 PolarHBondContact O-N 2.97Å; S278-K280 PolarHBondContact O-N 2.85Å; K280-H282 PolarHBondContact O-N 3.19Å; K280-L283 PolarHBondContact O-N 3.1Å; K280-G284 PolarHBondContact O-N 3.25Å; K280-E650 IonicContact NZ-OE1 2.6Å; K280-E650 PolarHBondContact NZ-OE1 3.27Å; K280-E650 IonicContact NZ-OE2 3.63Å; K280-F733 HydrophobicContact CG-CE1 4.46Å; K280-F733 HydrophobicContact CG-CZ 4.45Å
281S86.3Confident86.2Confident78 Ų7834.9 Ų34.955%0.54519%0.188SC..Hα-helixtrans-60.1-44.8176.4-176.40000112.5N277 S278 Y279 G284 E285N277-S281 PolarHBondContact O-N 2.85Å; S278-S281 PolarHBondContact O-N 2.9Å; Y279-S281 VanDerWaalsContact C-N 3.33Å; Y279-S281 PolarHBondContact O-N 3.01Å; S281-G284 PolarHBondContact O-N 2.67Å; S281-E285 PolarHBondContact O-N 3Å; S281-E285 VanDerWaalsContact O-N 3.15Å
282H86.1Confident85.9Confident7 Ų737.1 Ų37.13%0.03220%0.202CC..Hα-helixtrans-69.4-34.9179.6-69.1-48.1000112.6N175 R178 D182 S278 Y279 K280 F286N175-H282 HydrophobicContact CB-CB 4.45Å; R178-H282 PolarHBondContact NE-CE1 2.88Å; R178-H282 PolarHBondContact NE-ND1 3.37Å; R178-H282 PolarHBondContact NH1-ND1 2.97Å; R178-H282 PolarHBondContact NH2-ND1 3.27Å; D182-H282 IonicContact OD2-CD2 2.72Å; D182-H282 IonicContact OD2-CE1 3.62Å; D182-H282 PolarHBondContact OD2-CE1 3.35Å; D182-H282 IonicContact OD2-NE2 2.81Å; D182-H282 PolarHBondContact OD2-NE2 3.08Å; S278-H282 PolarHBondContact O-CD2 3.42Å; S278-H282 PolarHBondContact O-N 3.06Å; Y279-H282 PolarHBondContact O-N 3.14Å; K280-H282 PolarHBondContact O-N 3.19Å; H282-F286 WeakPolarHBondContact O-CB 3.14Å; H282-F286 PolarHBondContact O-N 2.94Å
283L82.6Confident85.8Confident8 Ų840.2 Ų40.24%0.04221%0.212CC..Hα-helixtrans-63.7-46.1175.1-173.566000110.7Y279 K280 E285 F286 V287 M729 M732 F733Y279-L283 HydrophobicContact CE1-CD2 4.07Å; Y279-L283 WeakPolarHBondContact O-CB 3.24Å; Y279-L283 PolarHBondContact O-N 2.95Å; K280-L283 PolarHBondContact O-N 3.1Å; L283-E285 PolarHBondContact O-N 3.44Å; L283-F286 WeakPolarHBondContact O-CB 3.49Å; L283-F286 PolarHBondContact O-N 3.29Å; L283-V287 VanDerWaalsContact O-CG2 3.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.34Å; L283-V287 PolarHBondContact O-N 3.13Å; L283-M729 HydrophobicContact CD1-SD 3.95Å; L283-M732 HydrophobicContact CD2-SD 4.22Å; L283-F733 HydrophobicContact CB-CE2 4.32Å; L283-F733 HydrophobicContact CB-CZ 4.22Å; L283-F733 HydrophobicContact CD2-CE2 4.08Å; L283-F733 HydrophobicContact CD2-CZ 4.39Å; L283-F733 HydrophobicContact CG-CE2 3.91Å; L283-F733 HydrophobicContact CG-CZ 4.28Å
284G80.7Confident85.5Confident2 Ų238.1 Ų38.12%0.02119%0.194CC..Hα-helixtrans-57.3-50.4176.200000112.1K280 S281 F286 V287 I288 F733K280-G284 PolarHBondContact O-N 3.25Å; S281-G284 PolarHBondContact O-N 2.67Å; G284-F286 VanDerWaalsContact C-N 3.28Å; G284-F286 PolarHBondContact O-N 2.81Å; G284-V287 PolarHBondContact O-N 3.5Å; G284-V287 VanDerWaalsContact O-N 3.11Å; G284-I288 WeakPolarHBondContact O-CD1 3.33Å; G284-I288 WeakPolarHBondContact O-CG1 3.4Å; G284-I288 PolarHBondContact O-N 3.31Å; G284-F733 VanDerWaalsContact CA-CE1 3.44Å; G284-F733 VanDerWaalsContact N-CZ 3.25Å
285E84.1Confident85.3Confident62 Ų6238.2 Ų38.229%0.2919%0.191SC..Hα-helixtrans-59.3-38.1177.8-166.2-170.7157.400112.3R178 S281 L283 K289R178-E285 IonicContact CZ-OE2 3.13Å; R178-E285 IonicContact NH1-OE1 2.91Å; R178-E285 IonicContact NH1-OE2 3.36Å; R178-E285 PolarHBondContact NH1-OE2 3.17Å; R178-E285 IonicContact NH2-OE1 3.34Å; R178-E285 IonicContact NH2-OE2 3.76Å; R178-E285 PolarHBondContact NH2-OE2 3.33Å; S281-E285 PolarHBondContact O-N 3Å; S281-E285 VanDerWaalsContact O-N 3.15Å; L283-E285 PolarHBondContact O-N 3.44Å; E285-K289 HydrophobicContact CG-CD 4.45Å; E285-K289 WeakPolarHBondContact O-CB 3.25Å; E285-K289 WeakPolarHBondContact O-CG 3.44Å; E285-K289 PolarHBondContact O-N 3.48Å; E285-K289 WeakPolarHBondContact OE1-CE 3.37Å; E285-K289 IonicContact OE1-NZ 2.89Å; E285-K289 PolarHBondContact OE1-NZ 2.62Å
286F83.2Confident85.1Confident46 Ų4643 Ų4320%0.20221%0.214CC..Hα-helixtrans-65.6-42.3176.2172.2-97.2000112.5A171 H282 L283 G284 T290A171-F286 HydrophobicContact CB-CD2 3.92Å; A171-F286 HydrophobicContact CB-CE1 3.98Å; A171-F286 HydrophobicContact CB-CE2 3.31Å; A171-F286 HydrophobicContact CB-CG 4.49Å; A171-F286 HydrophobicContact CB-CZ 3.34Å; H282-F286 WeakPolarHBondContact O-CB 3.14Å; H282-F286 PolarHBondContact O-N 2.94Å; L283-F286 WeakPolarHBondContact O-CB 3.49Å; L283-F286 PolarHBondContact O-N 3.29Å; G284-F286 VanDerWaalsContact C-N 3.28Å; G284-F286 PolarHBondContact O-N 2.81Å; F286-T290 WeakPolarHBondContact O-CB 3.39Å; F286-T290 PolarHBondContact O-N 3.11Å; F286-T290 PolarHBondContact O-OG1 3.25Å
287V80.4Confident85.1Confident4 Ų441.8 Ų41.82%0.02421%0.209CC..Hα-helixtrans-63-48.6177.3173.60000109.7L283 G284 K289 T290 I291 M729 F733 I737L283-V287 VanDerWaalsContact O-CG2 3.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.34Å; L283-V287 PolarHBondContact O-N 3.13Å; G284-V287 PolarHBondContact O-N 3.5Å; G284-V287 VanDerWaalsContact O-N 3.11Å; V287-K289 PolarHBondContact O-N 3.23Å; V287-T290 WeakPolarHBondContact O-CA 3.49Å; V287-T290 VanDerWaalsContact O-CB 3.27Å; V287-T290 WeakPolarHBondContact O-CB 3.08Å; V287-T290 PolarHBondContact O-N 2.81Å; V287-T290 VanDerWaalsContact O-N 3.07Å; V287-I291 HydrophobicContact CG1-CD1 3.91Å; V287-I291 VanDerWaalsContact O-CG1 3.31Å; V287-I291 WeakPolarHBondContact O-CG1 3.23Å; V287-I291 PolarHBondContact O-N 3.33Å; V287-M729 HydrophobicContact CG2-CB 3.71Å; V287-M729 HydrophobicContact CG2-CE 4.42Å; V287-M729 HydrophobicContact CG2-CG 4.05Å; V287-M729 HydrophobicContact CG2-SD 3.77Å; V287-F733 HydrophobicContact CB-CD2 4.23Å; V287-F733 HydrophobicContact CG1-CD2 4.44Å; V287-F733 HydrophobicContact CG2-CD2 4.05Å; V287-F733 HydrophobicContact CG2-CE2 4.28Å; V287-I737 HydrophobicContact CG1-CD1 4.06Å
288I82.1Confident85.2Confident39 Ų3937 Ų3720%0.218%0.184CC..Hα-helixtrans-57.1-51176.9-68158.2000111.3G284 T290 I291 V292 L740G284-I288 WeakPolarHBondContact O-CD1 3.33Å; G284-I288 WeakPolarHBondContact O-CG1 3.4Å; G284-I288 PolarHBondContact O-N 3.31Å; I288-T290 PolarHBondContact O-N 3.22Å; I288-I291 WeakPolarHBondContact O-CB 3.42Å; I288-I291 PolarHBondContact O-N 3.05Å; I288-I291 VanDerWaalsContact O-N 3.1Å; I288-V292 WeakPolarHBondContact O-CG2 3.46Å; I288-V292 PolarHBondContact O-N 3.13Å; I288-L740 HydrophobicContact CB-CD1 4.14Å; I288-L740 HydrophobicContact CD1-CD1 3.24Å; I288-L740 HydrophobicContact CG1-CD1 3.44Å; I288-L740 VanDerWaalsContact CG1-CD1 3.44Å; I288-L740 HydrophobicContact CG2-CD1 3.59Å
289K84.2Confident85.3Confident102 Ų10238.2 Ų38.244%0.44319%0.189SC..Hα-helixtrans-59.2-34.5177.2-77.6178-176.9172.20112.6E285 V287 K293E285-K289 HydrophobicContact CG-CD 4.45Å; E285-K289 WeakPolarHBondContact O-CB 3.25Å; E285-K289 WeakPolarHBondContact O-CG 3.44Å; E285-K289 PolarHBondContact O-N 3.48Å; E285-K289 WeakPolarHBondContact OE1-CE 3.37Å; E285-K289 IonicContact OE1-NZ 2.89Å; E285-K289 PolarHBondContact OE1-NZ 2.62Å; V287-K289 PolarHBondContact O-N 3.23Å; K289-K293 WeakPolarHBondContact O-CG 3.16Å; K289-K293 PolarHBondContact O-N 2.88Å
290T83Confident85.4Confident12 Ų1241 Ų417%0.07420%0.202CC..Hα-helixtrans-65.8-44.7176.6-64.70000111L30 R167 F286 V287 I288 K293 R294L30-T290 HydrophobicContact CD1-CG2 4.1Å; R167-T290 PolarHBondContact NH2-OG1 3.44Å; F286-T290 WeakPolarHBondContact O-CB 3.39Å; F286-T290 PolarHBondContact O-N 3.11Å; F286-T290 PolarHBondContact O-OG1 3.25Å; V287-T290 WeakPolarHBondContact O-CA 3.49Å; V287-T290 VanDerWaalsContact O-CB 3.27Å; V287-T290 WeakPolarHBondContact O-CB 3.08Å; V287-T290 PolarHBondContact O-N 2.81Å; V287-T290 VanDerWaalsContact O-N 3.07Å; I288-T290 PolarHBondContact O-N 3.22Å; T290-K293 PolarHBondContact O-N 2.99Å; T290-R294 WeakPolarHBondContact O-CG 3.48Å; T290-R294 PolarHBondContact O-N 3.27Å; T290-R294 VanDerWaalsContact O-N 3.08Å
291I80.7Confident85.8Confident10 Ų1037.7 Ų37.75%0.05119%0.188CC..Hα-helixtrans-63.2-48.8179.1-65165.2000110.6V287 I288 K293 R294 K295 F730 I737V287-I291 HydrophobicContact CG1-CD1 3.91Å; V287-I291 VanDerWaalsContact O-CG1 3.31Å; V287-I291 WeakPolarHBondContact O-CG1 3.23Å; V287-I291 PolarHBondContact O-N 3.33Å; I288-I291 WeakPolarHBondContact O-CB 3.42Å; I288-I291 PolarHBondContact O-N 3.05Å; I288-I291 VanDerWaalsContact O-N 3.1Å; I291-K293 VanDerWaalsContact C-N 3.31Å; I291-K293 PolarHBondContact O-N 3.48Å; I291-R294 WeakPolarHBondContact O-CB 3.41Å; I291-R294 PolarHBondContact O-N 3.27Å; I291-K295 HydrophobicContact CG2-CD 4.39Å; I291-K295 HydrophobicContact CG2-CG 4.47Å; I291-K295 PolarHBondContact O-N 2.89Å; I291-F730 HydrophobicContact CD1-CD1 3.77Å; I291-F730 HydrophobicContact CD1-CE1 3.19Å; I291-F730 HydrophobicContact CD1-CZ 3.93Å; I291-F730 HydrophobicContact CG1-CD1 4.3Å; I291-F730 HydrophobicContact CG1-CE1 3.28Å; I291-F730 HydrophobicContact CG1-CZ 3.51Å; I291-I737 HydrophobicContact CD1-CD1 3.44Å; I291-I737 VanDerWaalsContact CD1-CD1 3.44Å; I291-I737 HydrophobicContact CD1-CG1 3.69Å; I291-I737 HydrophobicContact CD1-CG2 3.97Å
292V84.2Confident86.1Confident52 Ų5234.1 Ų34.132%0.31516%0.162SC..Hα-helixtrans-56.7-46.6179.1174.30000110.8I288 R294 K295 E296I288-V292 WeakPolarHBondContact O-CG2 3.46Å; I288-V292 PolarHBondContact O-N 3.13Å; V292-R294 VanDerWaalsContact C-N 3.33Å; V292-R294 PolarHBondContact O-N 3.32Å; V292-K295 PolarHBondContact O-N 3.49Å; V292-E296 WeakPolarHBondContact O-CG 3.43Å; V292-E296 PolarHBondContact O-N 3.35Å
293K86Confident86.3Confident106 Ų10638.1 Ų38.146%0.46118%0.184SC..Hα-helixtrans-63.2-34.4176.8-74.9-178.9-179.9-173.40113.7L30 K289 T290 I291 K297L30-K293 HydrophobicContact CB-CB 4.36Å; L30-K293 HydrophobicContact CB-CD 4.36Å; L30-K293 HydrophobicContact CD1-CB 3.81Å; L30-K293 HydrophobicContact CD2-CB 4.49Å; L30-K293 HydrophobicContact CG-CB 4.44Å; K289-K293 WeakPolarHBondContact O-CG 3.16Å; K289-K293 PolarHBondContact O-N 2.88Å; T290-K293 PolarHBondContact O-N 2.99Å; I291-K293 VanDerWaalsContact C-N 3.31Å; I291-K293 PolarHBondContact O-N 3.48Å; K293-K297 WeakPolarHBondContact O-CG 3.45Å; K293-K297 PolarHBondContact O-N 3.46Å
294R87.3Confident86.6Confident3 Ų339.8 Ų39.81%0.01119%0.193CC..Hα-helixtrans-66.6-45173.4-69.3177.3-169.2-170.31.6110.7L30 T290 I291 V292 E296 K297 L298 S361 E726L30-R294 HydrophobicContact CD1-CG 3.78Å; L30-R294 HydrophobicContact CD2-CG 4.11Å; T290-R294 WeakPolarHBondContact O-CG 3.48Å; T290-R294 PolarHBondContact O-N 3.27Å; T290-R294 VanDerWaalsContact O-N 3.08Å; I291-R294 WeakPolarHBondContact O-CB 3.41Å; I291-R294 PolarHBondContact O-N 3.27Å; V292-R294 VanDerWaalsContact C-N 3.33Å; V292-R294 PolarHBondContact O-N 3.32Å; R294-E296 PolarHBondContact O-N 2.84Å; R294-K297 PolarHBondContact O-N 3.41Å; R294-L298 WeakPolarHBondContact O-CG 3.34Å; R294-L298 PolarHBondContact O-N 2.74Å; R294-S361 WeakPolarHBondContact CD-OG 3.37Å; R294-E726 IonicContact CZ-OE2 3.18Å; R294-E726 IonicContact NH1-OE2 2.7Å; R294-E726 IonicContact NH2-OE2 2.77Å; R294-E726 PolarHBondContact NH2-OE2 3.24Å
295K86.4Confident87.1Confident29 Ų2940.5 Ų40.513%0.12620%0.196CC..Hα-helixtrans-60-44.5176.9-71.3-171.2175-172.30111.6I291 V292 K297 L298 D299 E358I291-K295 HydrophobicContact CG2-CD 4.39Å; I291-K295 HydrophobicContact CG2-CG 4.47Å; I291-K295 PolarHBondContact O-N 2.89Å; V292-K295 PolarHBondContact O-N 3.49Å; K295-K297 VanDerWaalsContact C-N 3.32Å; K295-K297 PolarHBondContact O-N 2.7Å; K295-L298 PolarHBondContact O-N 3.27Å; K295-D299 WeakPolarHBondContact O-CB 3.33Å; K295-D299 PolarHBondContact O-N 2.94Å; K295-E358 HydrophobicContact CG-CB 4.38Å
296E88.3Confident87.4Confident101 Ų10138.7 Ų38.747%0.47219%0.19SC..Hα-helixtrans-55.9-44.5174.9-73.5177.3-179.400112.4V292 R294 D299 E300V292-E296 WeakPolarHBondContact O-CG 3.43Å; V292-E296 PolarHBondContact O-N 3.35Å; R294-E296 PolarHBondContact O-N 2.84Å; E296-D299 PolarHBondContact O-N 3.31Å; E296-E300 PolarHBondContact O-N 2.88Å
297K89.9Confident87.7Confident25 Ų2539.5 Ų39.511%0.10920%0.199CC..Hα-helixtrans-67.5-39.2177.9-72.6-71.1-176176.90112.6L21 A25 L30 K293 R294 K295 A301L21-K297 HydrophobicContact CD2-CD 3.54Å; A25-K297 HydrophobicContact CB-CB 4.18Å; L30-K297 HydrophobicContact CD2-CG 4.24Å; K293-K297 WeakPolarHBondContact O-CG 3.45Å; K293-K297 PolarHBondContact O-N 3.46Å; R294-K297 PolarHBondContact O-N 3.41Å; K295-K297 VanDerWaalsContact C-N 3.32Å; K295-K297 PolarHBondContact O-N 2.7Å; K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.48Å
298L91.6Very high88.1Confident0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-69.6-36.4175.9-71.2173.9000111.8I22 A25 R294 K295 A301 F302 F357 E358 L360I22-L298 HydrophobicContact CG1-CD2 4.35Å; A25-L298 HydrophobicContact CB-CD1 4.32Å; A25-L298 HydrophobicContact CB-CD2 3.76Å; A25-L298 HydrophobicContact CB-CG 3.68Å; R294-L298 WeakPolarHBondContact O-CG 3.34Å; R294-L298 PolarHBondContact O-N 2.74Å; K295-L298 PolarHBondContact O-N 3.27Å; L298-A301 PolarHBondContact O-N 2.98Å; L298-F302 VanDerWaalsContact O-CB 3.25Å; L298-F302 WeakPolarHBondContact O-CB 3.34Å; L298-F302 PolarHBondContact O-N 3.44Å; L298-F357 HydrophobicContact CB-CD1 4.3Å; L298-F357 HydrophobicContact CB-CE1 4.21Å; L298-F357 HydrophobicContact CD2-CE1 3.98Å; L298-F357 HydrophobicContact CD2-CZ 4.44Å; L298-F357 WeakPolarHBondContact O-CE1 3.49Å; L298-E358 VanDerWaalsContact CD1-O 3.24Å; L298-E358 WeakPolarHBondContact CD1-O 3.48Å; L298-L360 HydrophobicContact CD1-CB 4.3Å; L298-L360 HydrophobicContact CD2-CB 4.49Å; L298-L360 HydrophobicContact CD2-CD2 4.2Å
299D91.1Very high88.2Confident43 Ų4344 Ų4423%0.2322%0.223CC..Hα-helixtrans-63.5-46.6173.6-17313.4000110.8K295 E296 A301 F302 N303 K354K295-D299 WeakPolarHBondContact O-CB 3.33Å; K295-D299 PolarHBondContact O-N 2.94Å; E296-D299 PolarHBondContact O-N 3.31Å; D299-A301 VanDerWaalsContact C-N 3.32Å; D299-A301 PolarHBondContact O-N 2.95Å; D299-F302 WeakPolarHBondContact O-CB 3.39Å; D299-F302 PolarHBondContact O-N 3.33Å; D299-N303 PolarHBondContact O-N 2.95Å; D299-N303 PolarHBondContact O-ND2 3.38Å; D299-N303 PolarHBondContact OD1-ND2 3.28Å; D299-K354 VanDerWaalsContact CG-CE 3.46Å; D299-K354 WeakPolarHBondContact OD1-CE 3.14Å; D299-K354 IonicContact OD1-NZ 2.63Å; D299-K354 PolarHBondContact OD1-NZ 3.43Å; D299-K354 IonicContact OD2-NZ 3.77Å; D299-K354 PolarHBondContact OD2-NZ 3.06Å
300E90.3Very high88Confident62 Ų6244.1 Ų44.129%0.2923%0.234SC..Hα-helixtrans-58.5-45174.2-169.3-177.9177.400111.4L21 Q36 E296 L304L21-E300 HydrophobicContact CD1-CB 4.04Å; L21-E300 HydrophobicContact CD1-CG 3.65Å; Q36-E300 PolarHBondContact NE2-OE1 3.32Å; E296-E300 PolarHBondContact O-N 2.88Å; E300-L304 WeakPolarHBondContact O-CG 3.1Å; E300-L304 PolarHBondContact O-N 2.94Å
301A92.5Very high87.9Confident0 Ų050 Ų500%027%0.265CS..Hα-helixtrans-64.3-41.5176.400000112.8L21 I22 K297 L298 D299 N303 L304 I305 F357L21-A301 HydrophobicContact CB-CB 3.95Å; L21-A301 HydrophobicContact CD1-CB 4.46Å; I22-A301 HydrophobicContact CD1-CB 4.14Å; I22-A301 HydrophobicContact CG1-CB 3.59Å; K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.48Å; L298-A301 PolarHBondContact O-N 2.98Å; D299-A301 VanDerWaalsContact C-N 3.32Å; D299-A301 PolarHBondContact O-N 2.95Å; A301-N303 PolarHBondContact O-N 2.94Å; A301-L304 WeakPolarHBondContact O-CB 3.47Å; A301-L304 PolarHBondContact O-N 3.5Å; A301-L304 VanDerWaalsContact O-N 3.13Å; A301-I305 WeakPolarHBondContact O-CG1 3.43Å; A301-I305 PolarHBondContact O-N 3.37Å; A301-F357 HydrophobicContact CB-CE1 4.38Å
302F93.2Very high88Confident4 Ų451.8 Ų51.82%0.01829%0.286CS..Hα-helixtrans-57.7-50179.4-179.1-94.6000110.6L298 D299 L304 I305 S306 L314 V316 L352 K354 F357L298-F302 VanDerWaalsContact O-CB 3.25Å; L298-F302 WeakPolarHBondContact O-CB 3.34Å; L298-F302 PolarHBondContact O-N 3.44Å; D299-F302 WeakPolarHBondContact O-CB 3.39Å; D299-F302 PolarHBondContact O-N 3.33Å; F302-L304 PolarHBondContact O-N 3.48Å; F302-L304 VanDerWaalsContact O-N 3.13Å; F302-I305 PolarHBondContact O-N 3.47Å; F302-I305 VanDerWaalsContact O-N 3.11Å; F302-S306 WeakPolarHBondContact O-CB 3.33Å; F302-S306 PolarHBondContact O-N 2.87Å; F302-S306 PolarHBondContact O-OG 3.3Å; F302-L314 HydrophobicContact CE1-CB 3.97Å; F302-L314 HydrophobicContact CZ-CB 4.27Å; F302-L314 WeakPolarHBondContact CZ-O 3.45Å; F302-V316 HydrophobicContact CD2-CG2 3.71Å; F302-V316 HydrophobicContact CE2-CG2 3.75Å; F302-L352 WeakPolarHBondContact CE2-O 3Å; F302-K354 HydrophobicContact CD1-CB 4.21Å; F302-K354 HydrophobicContact CD1-CG 4.32Å; F302-K354 HydrophobicContact CE1-CB 3.79Å; F302-K354 HydrophobicContact CE1-CG 4.37Å; F302-K354 HydrophobicContact CE2-CB 4.34Å; F302-K354 HydrophobicContact CZ-CB 3.86Å; F302-F357 HydrophobicContact CB-CD1 3.73Å; F302-F357 HydrophobicContact CB-CE1 4Å; F302-F357 HydrophobicContact CD2-CB 3.67Å; F302-F357 AromaticContact CD2-CD1 3.75Å; F302-F357 HydrophobicContact CD2-CD1 3.75Å; F302-F357 HydrophobicContact CD2-CD2 4.41Å; F302-F357 AromaticContact CD2-CG 3.68Å; F302-F357 HydrophobicContact CD2-CG 3.68Å; F302-F357 HydrophobicContact CE2-CB 4.07Å; F302-F357 HydrophobicContact CE2-CG 4.46Å; F302-F357 HydrophobicContact CG-CD1 4.22Å
303N91.1Very high88.1Confident90 Ų9054.5 Ų54.548%0.48130%0.295SS..Hα-helixtrans-61.8-23.9179.9-65.3-45.5000113D299 A301D299-N303 PolarHBondContact O-N 2.95Å; D299-N303 PolarHBondContact O-ND2 3.38Å; D299-N303 PolarHBondContact OD1-ND2 3.28Å; A301-N303 PolarHBondContact O-N 2.94Å
304L89.4Confident88.2Confident44 Ų4453.5 Ų53.523%0.2329%0.294CS..Hα-helixtrans-81.9-28.9177.2-67.4171.2000113.8Q14 L17 A18 L21 E300 A301 F302Q14-L304 HydrophobicContact CG-CD2 4.23Å; L17-L304 HydrophobicContact CB-CD1 4.22Å; L17-L304 HydrophobicContact CD2-CD1 3.66Å; L17-L304 HydrophobicContact CD2-CD2 4.48Å; L17-L304 HydrophobicContact CG-CD1 3.72Å; A18-L304 HydrophobicContact CB-CB 4.05Å; A18-L304 HydrophobicContact CB-CD1 4.27Å; L21-L304 HydrophobicContact CD1-CD1 3.85Å; E300-L304 WeakPolarHBondContact O-CG 3.1Å; E300-L304 PolarHBondContact O-N 2.94Å; A301-L304 WeakPolarHBondContact O-CB 3.47Å; A301-L304 PolarHBondContact O-N 3.5Å; A301-L304 VanDerWaalsContact O-N 3.13Å; F302-L304 PolarHBondContact O-N 3.48Å; F302-L304 VanDerWaalsContact O-N 3.13Å
305I91.1Very high88.4Confident17 Ų1753.4 Ų53.49%0.08729%0.294CS..Hα-helixtrans-112.6-12.8-174.266.7178.5000114.1A18 I22 A301 F302 V316 T320 F357A18-I305 HydrophobicContact CB-CG2 3.32Å; I22-I305 HydrophobicContact CD1-CD1 4.14Å; A301-I305 WeakPolarHBondContact O-CG1 3.43Å; A301-I305 PolarHBondContact O-N 3.37Å; F302-I305 PolarHBondContact O-N 3.47Å; F302-I305 VanDerWaalsContact O-N 3.11Å; I305-V316 HydrophobicContact CD1-CG1 3.94Å; I305-V316 HydrophobicContact CD1-CG2 3.91Å; I305-V316 HydrophobicContact CG1-CG1 4.31Å; I305-V316 HydrophobicContact CG1-CG2 3.78Å; I305-T320 HydrophobicContact CB-CG2 4.39Å; I305-F357 HydrophobicContact CD1-CE2 4.08Å; I305-F357 HydrophobicContact CD1-CZ 3.9Å
306S90.2Very high88.6Confident24 Ų2452 Ų5217%0.16829%0.288CS..  trans-64.5140.3-177.1630000111.5F302F302-S306 WeakPolarHBondContact O-CB 3.33Å; F302-S306 PolarHBondContact O-N 2.87Å; F302-S306 PolarHBondContact O-OG 3.3Å
307T88.7Confident88.8Confident63 Ų6348.3 Ų48.339%0.38727%0.273SS..EExtended strand (participates in β ladder)trans-116.1156.9172.649.60000109.4T309 G315T307-T309 PolarHBondContact O-N 3.15Å; T307-G315 PolarHBondContact N-O 3.04Å; T307-G315 PolarHBondContact O-N 3.42Å; T307-G315 PolarHBondContact OG1-O 3.15Å
308L88.3Confident88.8Confident126 Ų12649.3 Ų49.366%0.6628%0.278SS*.EExtended strand (participates in β ladder)trans-67.5123.5173.3-156.277000109.1G312 L314L308-G312 WeakPolarHBondContact CD1-O 3.21Å; L308-L314 HydrophobicContact CD1-CD2 4.46Å
309T84.2Confident88.7Confident10 Ų1055.2 Ų55.26%0.06131%0.31CS..  trans-73.3163173.260.20000110.4T307 D311 G312 Q313 Y351T307-T309 PolarHBondContact O-N 3.15Å; T309-D311 PolarHBondContact O-N 3.09Å; T309-D311 VanDerWaalsContact O-N 3.16Å; T309-G312 PolarHBondContact O-N 2.74Å; T309-Q313 WeakPolarHBondContact CB-O 3.36Å; T309-Q313 WeakPolarHBondContact CG2-O 3.46Å; T309-Q313 PolarHBondContact N-O 2.87Å; T309-Q313 PolarHBondContact OG1-N 3.41Å; T309-Q313 VanDerWaalsContact OG1-N 3.08Å; T309-Q313 PolarHBondContact OG1-O 3.48Å; T309-Y351 HydrophobicContact CG2-CD1 3.78Å; T309-Y351 HydrophobicContact CG2-CD2 4.17Å; T309-Y351 HydrophobicContact CG2-CE1 4.43Å; T309-Y351 HydrophobicContact CG2-CG 3.63Å
310P81.5Confident88.7Confident106 Ų10655.3 Ų55.369%0.68831%0.312SS*.THydrogen-bonded Turntrans-53.5-31.1172.1-26.135.3000113.4G312 Y351P310-G312 VanDerWaalsContact C-N 3.25Å; P310-G312 PolarHBondContact O-N 3.06Å; P310-Y351 HydrophobicContact CG-CE2 4.11Å
311D79.4Confident88.7Confident135 Ų13552.5 Ų52.572%0.72230%0.299SS*.THydrogen-bonded Turntrans-84.26.4-179.9-56.2-33.6000113.5T309 Q313T309-D311 PolarHBondContact O-N 3.09Å; T309-D311 VanDerWaalsContact O-N 3.16Å; D311-Q313 PolarHBondContact O-N 3.25Å
312G82.4Confident88.7Confident47 Ų4754.1 Ų54.149%0.48531%0.307SS..SBendtrans77.9-1.2178.800000115.1L308 T309 P310L308-G312 WeakPolarHBondContact CD1-O 3.21Å; T309-G312 PolarHBondContact O-N 2.74Å; P310-G312 VanDerWaalsContact C-N 3.25Å; P310-G312 PolarHBondContact O-N 3.06Å
313Q86.4Confident88.5Confident110 Ų11059.3 Ų59.351%0.51433%0.331SS..SBendtrans-82.3157173-60.7-172.12.800111T309 D311 L353T309-Q313 WeakPolarHBondContact CB-O 3.36Å; T309-Q313 WeakPolarHBondContact CG2-O 3.46Å; T309-Q313 PolarHBondContact N-O 2.87Å; T309-Q313 PolarHBondContact OG1-N 3.41Å; T309-Q313 VanDerWaalsContact OG1-N 3.08Å; T309-Q313 PolarHBondContact OG1-O 3.48Å; D311-Q313 PolarHBondContact O-N 3.25Å; Q313-L353 HydrophobicContact CB-CD2 4.09Å; Q313-L353 VanDerWaalsContact OE1-CD2 3.3Å
314L89Confident88.4Confident85 Ų8555.1 Ų55.145%0.44531%0.309SS..EExtended strand (participates in β ladder)trans-76.8133169.7-69.9172.8000109.5F302 L308F302-L314 HydrophobicContact CE1-CB 3.97Å; F302-L314 HydrophobicContact CZ-CB 4.27Å; F302-L314 WeakPolarHBondContact CZ-O 3.45Å; L308-L314 HydrophobicContact CD1-CD2 4.46Å
315G90.6Very high88.5Confident0 Ų053.1 Ų53.10%030%0.298CS..EExtended strand (participates in β ladder)trans-155.5155.4178.200000113.2T307 L352T307-G315 PolarHBondContact N-O 3.04Å; T307-G315 PolarHBondContact O-N 3.42Å; T307-G315 PolarHBondContact OG1-O 3.15Å; G315-L352 CarbonylContact C-O 3.58Å; G315-L352 WeakPolarHBondContact CA-O 3.42Å
316V91.3Very high88.3Confident0 Ų056.3 Ų56.30%031%0.313CS..EExtended strand (participates in β ladder)trans-95.4117.5177.7-1750000109.2F302 I305 T320 F321 Y351 L352 F357F302-V316 HydrophobicContact CD2-CG2 3.71Å; F302-V316 HydrophobicContact CE2-CG2 3.75Å; I305-V316 HydrophobicContact CD1-CG1 3.94Å; I305-V316 HydrophobicContact CD1-CG2 3.91Å; I305-V316 HydrophobicContact CG1-CG1 4.31Å; I305-V316 HydrophobicContact CG1-CG2 3.78Å; V316-T320 HydrophobicContact CG1-CG2 4.21Å; V316-F321 HydrophobicContact CG1-CB 4.19Å; V316-Y351 WeakPolarHBondContact O-CA 3.49Å; V316-L352 HydrophobicContact CB-CB 4.41Å; V316-L352 PolarHBondContact N-O 2.98Å; V316-L352 PolarHBondContact O-N 3.36Å; V316-F357 HydrophobicContact CG2-CD2 4.21Å; V316-F357 HydrophobicContact CG2-CE2 4.39Å
317S91.7Very high88.1Confident24 Ų2458.5 Ų58.517%0.16832%0.322CS..EExtended strand (participates in β ladder)trans-64.4151.317884.40000112N319 T320 F321S317-N319 VanDerWaalsContact C-N 3.3Å; S317-N319 PolarHBondContact O-N 2.9Å; S317-T320 PolarHBondContact O-N 3.05Å; S317-T320 VanDerWaalsContact O-N 3.16Å; S317-T320 WeakPolarHBondContact OG-CB 3.48Å; S317-T320 PolarHBondContact OG-N 3.37Å; S317-T320 PolarHBondContact OG-OG1 3.33Å; S317-F321 PolarHBondContact O-N 3.45Å
318H90.7Very high87.9Confident46 Ų4655.6 Ų55.621%0.21330%0.304CS..Hα-helixtrans-49.9-46.5175.5-175.775.4000113.7F321 L322 F341 G350H318-F321 PolarHBondContact O-N 2.93Å; H318-L322 WeakPolarHBondContact NE2-CD1 3.37Å; H318-L322 WeakPolarHBondContact O-CG 3.26Å; H318-L322 PolarHBondContact O-N 3.23Å; H318-F341 HydrophobicContact CB-CE1 4Å; H318-F341 HydrophobicContact CB-CE2 4.12Å; H318-F341 HydrophobicContact CB-CZ 3.75Å; H318-F341 AromaticContact CE1-CD1 3.98Å; H318-F341 AromaticContact ND1-CD1 3.18Å; H318-F341 WeakPolarHBondContact ND1-CD1 3.48Å; H318-F341 AromaticContact ND1-CD2 3.88Å; H318-F341 AromaticContact ND1-CE1 3.45Å; H318-F341 WeakPolarHBondContact ND1-CE1 3.13Å; H318-F341 AromaticContact ND1-CG 3.43Å; H318-F341 WeakPolarHBondContact ND1-CG 3.37Å; H318-F341 AromaticContact ND1-CZ 3.89Å; H318-G350 PolarHBondContact N-O 2.99Å
319N90.1Very high87.6Confident124 Ų12451.1 Ų51.166%0.66328%0.28SS*.Hα-helixtrans-67-40.9-178.9-71.3-21.7000112.2S317 F321 L322 H323S317-N319 VanDerWaalsContact C-N 3.3Å; S317-N319 PolarHBondContact O-N 2.9Å; N319-F321 VanDerWaalsContact C-N 3.34Å; N319-L322 PolarHBondContact O-N 2.9Å; N319-H323 WeakPolarHBondContact O-CB 3.41Å; N319-H323 PolarHBondContact O-N 3.39Å; N319-H323 VanDerWaalsContact O-N 3.08Å
320T89.7Confident87.2Confident44 Ų4455.1 Ų55.127%0.2731%0.306SS..Hα-helixtrans-62.3-45175.6-54.10000110.4I305 V316 S317 H323 V324I305-T320 HydrophobicContact CB-CG2 4.39Å; V316-T320 HydrophobicContact CG1-CG2 4.21Å; S317-T320 PolarHBondContact O-N 3.05Å; S317-T320 VanDerWaalsContact O-N 3.16Å; S317-T320 WeakPolarHBondContact OG-CB 3.48Å; S317-T320 PolarHBondContact OG-N 3.37Å; S317-T320 PolarHBondContact OG-OG1 3.33Å; T320-H323 PolarHBondContact O-N 2.73Å; T320-V324 HydrophobicContact CG2-CG2 4.35Å; T320-V324 WeakPolarHBondContact O-CB 3.45Å; T320-V324 VanDerWaalsContact O-CG2 3.29Å; T320-V324 WeakPolarHBondContact O-CG2 3.47Å; T320-V324 PolarHBondContact O-N 2.84Å
321F92.1Very high86.9Confident3 Ų358.7 Ų58.71%0.01331%0.311CS..Hα-helixtrans-58.2-51.9177.5177.6-94.9000111.8V316 S317 H318 N319 H323 V324 M325 I340 F341 L344 L352 L360V316-F321 HydrophobicContact CG1-CB 4.19Å; S317-F321 PolarHBondContact O-N 3.45Å; H318-F321 PolarHBondContact O-N 2.93Å; N319-F321 VanDerWaalsContact C-N 3.34Å; F321-H323 VanDerWaalsContact C-N 3.32Å; F321-H323 PolarHBondContact O-N 3.44Å; F321-V324 PolarHBondContact O-N 3.42Å; F321-M325 HydrophobicContact CD1-CG 4.12Å; F321-M325 HydrophobicContact CD2-CG 3.95Å; F321-M325 HydrophobicContact CE1-CG 3.82Å; F321-M325 HydrophobicContact CE2-CG 3.64Å; F321-M325 HydrophobicContact CE2-SD 4.24Å; F321-M325 HydrophobicContact CG-CG 4.19Å; F321-M325 HydrophobicContact CZ-CG 3.59Å; F321-M325 HydrophobicContact CZ-SD 4.44Å; F321-M325 VanDerWaalsContact O-CB 3.3Å; F321-M325 WeakPolarHBondContact O-CB 3.39Å; F321-M325 VanDerWaalsContact O-CG 3.25Å; F321-M325 WeakPolarHBondContact O-CG 3.31Å; F321-M325 PolarHBondContact O-N 2.91Å; F321-I340 HydrophobicContact CZ-CG2 4.32Å; F321-F341 HydrophobicContact CB-CD2 3.83Å; F321-F341 HydrophobicContact CB-CE2 4.01Å; F321-F341 HydrophobicContact CD1-CB 3.94Å; F321-F341 AromaticContact CD1-CD2 3.56Å; F321-F341 HydrophobicContact CD1-CD2 3.56Å; F321-F341 HydrophobicContact CD1-CG 4.2Å; F321-F341 HydrophobicContact CD2-CD2 4.3Å; F321-F341 HydrophobicContact CE1-CB 3.84Å; F321-F341 HydrophobicContact CE1-CD2 4.15Å; F321-F341 AromaticContact CG-CD2 3.63Å; F321-F341 HydrophobicContact CG-CD2 3.63Å; F321-F341 HydrophobicContact CG-CE2 4.27Å; F321-L344 HydrophobicContact CZ-CD1 4.49Å; F321-L352 HydrophobicContact CD2-CD1 3.67Å; F321-L352 HydrophobicContact CE2-CD1 3.89Å; F321-L352 HydrophobicContact CG-CD1 4.27Å; F321-L360 HydrophobicContact CE2-CD1 3.68Å; F321-L360 HydrophobicContact CE2-CD2 4.15Å; F321-L360 HydrophobicContact CZ-CD1 3.81Å
322L91.1Very high86.7Confident35 Ų3554.5 Ų54.518%0.18329%0.287CS..Hα-helixtrans-59.9-41.8-180-71.3-178.2000112.4H318 N319 H326 L337 K338H318-L322 WeakPolarHBondContact NE2-CD1 3.37Å; H318-L322 WeakPolarHBondContact O-CG 3.26Å; H318-L322 PolarHBondContact O-N 3.23Å; N319-L322 PolarHBondContact O-N 2.9Å; L322-H326 VanDerWaalsContact O-CB 3.32Å; L322-H326 WeakPolarHBondContact O-CB 3.3Å; L322-H326 PolarHBondContact O-N 3.42Å; L322-L337 HydrophobicContact CD2-CB 3.73Å; L322-K338 HydrophobicContact CD1-CG 4.1Å; L322-K338 HydrophobicContact CD2-CG 3.98Å
323H88.5Confident86.7Confident112 Ų11253.6 Ų53.652%0.51927%0.273SS..Hα-helixtrans-64.6-47.5179.2-173.6-80.3000111.8N319 T320 F321N319-H323 WeakPolarHBondContact O-CB 3.41Å; N319-H323 PolarHBondContact O-N 3.39Å; N319-H323 VanDerWaalsContact O-N 3.08Å; T320-H323 PolarHBondContact O-N 2.73Å; F321-H323 VanDerWaalsContact C-N 3.32Å; F321-H323 PolarHBondContact O-N 3.44Å
324V90.6Very high86.6Confident3 Ų354.7 Ų54.72%0.01828%0.276CS..Hα-helixtrans-62.5-49.2177.7169.30000110.1T19 I22 T320 F321 H326 I327 V328T19-V324 HydrophobicContact CG2-CG1 3.93Å; I22-V324 HydrophobicContact CD1-CG1 3.39Å; T320-V324 HydrophobicContact CG2-CG2 4.35Å; T320-V324 WeakPolarHBondContact O-CB 3.45Å; T320-V324 VanDerWaalsContact O-CG2 3.29Å; T320-V324 WeakPolarHBondContact O-CG2 3.47Å; T320-V324 PolarHBondContact O-N 2.84Å; F321-V324 PolarHBondContact O-N 3.42Å; V324-H326 VanDerWaalsContact C-N 3.33Å; V324-H326 PolarHBondContact O-N 2.86Å; V324-I327 WeakPolarHBondContact O-CB 3.48Å; V324-I327 PolarHBondContact O-N 3.12Å; V324-I327 VanDerWaalsContact O-N 3.07Å; V324-V328 HydrophobicContact CG1-CG2 4.13Å; V324-V328 VanDerWaalsContact O-CG2 3.31Å; V324-V328 WeakPolarHBondContact O-CG2 3.29Å; V324-V328 PolarHBondContact O-N 2.93Å
325M89.9Confident86.3Confident1 Ų152.6 Ų52.61%0.00527%0.265CS..Hα-helixtrans-67.5-31.1-175.5-70-54.9-64.600113.7I22 F321 I327 V328 H329 L337 L360 M364I22-M325 HydrophobicContact CG2-SD 3.84Å; F321-M325 HydrophobicContact CD1-CG 4.12Å; F321-M325 HydrophobicContact CD2-CG 3.95Å; F321-M325 HydrophobicContact CE1-CG 3.82Å; F321-M325 HydrophobicContact CE2-CG 3.64Å; F321-M325 HydrophobicContact CE2-SD 4.24Å; F321-M325 HydrophobicContact CG-CG 4.19Å; F321-M325 HydrophobicContact CZ-CG 3.59Å; F321-M325 HydrophobicContact CZ-SD 4.44Å; F321-M325 VanDerWaalsContact O-CB 3.3Å; F321-M325 WeakPolarHBondContact O-CB 3.39Å; F321-M325 VanDerWaalsContact O-CG 3.25Å; F321-M325 WeakPolarHBondContact O-CG 3.31Å; F321-M325 PolarHBondContact O-N 2.91Å; M325-I327 PolarHBondContact O-N 3.41Å; M325-V328 PolarHBondContact O-N 3.25Å; M325-V328 HydrophobicContact SD-CB 4.47Å; M325-H329 PolarHBondContact O-N 3.2Å; M325-L337 HydrophobicContact CB-CD1 3.83Å; M325-L337 HydrophobicContact CB-CD2 3.86Å; M325-L337 HydrophobicContact CB-CG 4.39Å; M325-L337 HydrophobicContact CE-CD2 4.25Å; M325-L360 HydrophobicContact CE-CD1 4.43Å; M325-L360 HydrophobicContact SD-CD2 4.05Å; M325-M364 HydrophobicContact CE-CE 3.51Å; M325-M364 HydrophobicContact CE-CG 4Å; M325-M364 HydrophobicContact CE-SD 3.31Å; M325-M364 WeakPolarHBondContact CE-SD 3.46Å
326H87.5Confident86Confident85 Ų8552.7 Ų52.739%0.39427%0.266SS..Hα-helixtrans-63.5-33173.4-166.952.9000112.3L322 V324L322-H326 VanDerWaalsContact O-CB 3.32Å; L322-H326 WeakPolarHBondContact O-CB 3.3Å; L322-H326 PolarHBondContact O-N 3.42Å; V324-H326 VanDerWaalsContact C-N 3.33Å; V324-H326 PolarHBondContact O-N 2.86Å
327I86Confident85.8Confident70 Ų7052.7 Ų52.736%0.35927%0.266SS..Hα-helixtrans-73.1-47.1172.9-62.1167.9000110.1L15 T19 R23 V324 M325L15-I327 HydrophobicContact CD2-CD1 4.02Å; T19-I327 HydrophobicContact CG2-CB 4.17Å; T19-I327 HydrophobicContact CG2-CD1 4.24Å; T19-I327 HydrophobicContact CG2-CG2 4.03Å; R23-I327 PolarHBondContact NH2-O 3.21Å; V324-I327 WeakPolarHBondContact O-CB 3.48Å; V324-I327 PolarHBondContact O-N 3.12Å; V324-I327 VanDerWaalsContact O-N 3.07Å; M325-I327 PolarHBondContact O-N 3.41Å
328V85.6Confident85.6Confident2 Ų255 Ų551%0.01227%0.273CS..Hα-helixtrans-63.1-50.9-175.2179.30000111.2T19 I22 R23 V324 M325T19-V328 HydrophobicContact CG2-CG2 4.32Å; T19-V328 WeakPolarHBondContact O-CG2 3.47Å; I22-V328 HydrophobicContact CB-CG2 4.1Å; I22-V328 HydrophobicContact CG2-CG1 4Å; I22-V328 HydrophobicContact CG2-CG2 4.02Å; R23-V328 HydrophobicContact CB-CG1 3.77Å; R23-V328 HydrophobicContact CG-CG1 4.33Å; R23-V328 PolarHBondContact NE-O 2.74Å; R23-V328 PolarHBondContact NH2-O 2.95Å; V324-V328 HydrophobicContact CG1-CG2 4.13Å; V324-V328 VanDerWaalsContact O-CG2 3.31Å; V324-V328 WeakPolarHBondContact O-CG2 3.29Å; V324-V328 PolarHBondContact O-N 2.93Å; M325-V328 PolarHBondContact O-N 3.25Å; M325-V328 HydrophobicContact SD-CB 4.47Å
329H80.9Confident85.4Confident32 Ų3252.9 Ų52.915%0.14826%0.263CS..  trans-127.681.2-176.3-76.687.2000111.5C26 M325 K331 H332 M364C26-H329 WeakPolarHBondContact CB-CE1 3.41Å; M325-H329 PolarHBondContact O-N 3.2Å; H329-K331 PolarHBondContact O-N 2.87Å; H329-H332 PolarHBondContact O-N 3.48Å; H329-M364 HydrophobicContact CB-CE 4.16Å
330P76.2Confident85.3Confident93 Ų9347 Ų4760%0.60423%0.232SC*.THydrogen-bonded Turntrans-66.3-13.5-177.127-35.9000113.8
331K75.9Confident85.4Confident181 Ų18145 Ų4579%0.78722%0.219SC*.THydrogen-bonded Turntrans-76.8-24.7178.7-69.2-174.8175-175.40113.8H329H329-K331 PolarHBondContact O-N 2.87Å
332H74.8Confident85.2Confident47 Ų4747.9 Ų47.922%0.21823%0.232CC..SBendtrans-77.8136178.6-82-97.3000109.5H329 L337H329-H332 PolarHBondContact O-N 3.48Å; H332-L337 HydrophobicContact CB-CD2 3.96Å; H332-L337 HydrophobicContact CB-CG 4.04Å
333S81.7Confident85Confident28 Ų2846.2 Ų46.220%0.19622%0.224CC..  trans-65.9154.4173840000110D335 S336 L337 E370S333-D335 PolarHBondContact O-N 2.97Å; S333-D335 PolarHBondContact OG-N 3.42Å; S333-S336 PolarHBondContact N-OG 3.26Å; S333-S336 PolarHBondContact O-N 2.85Å; S333-S336 PolarHBondContact O-OG 3.28Å; S333-S336 PolarHBondContact OG-N 3.44Å; S333-L337 PolarHBondContact O-N 2.73Å; S333-E370 WeakPolarHBondContact CB-OE1 3.45Å; S333-E370 WeakPolarHBondContact CB-OE2 3.44Å; S333-E370 PolarHBondContact OG-OE1 3.42Å; S333-E370 PolarHBondContact OG-OE2 3.43Å
334K83.9Confident84.9Confident134 Ų13441.1 Ų41.158%0.58320%0.2SC*.Hα-helixtrans-56.3-32.7174.3-68.9-175.1179.1-179.40112.1L337 K338K334-L337 PolarHBondContact O-N 3.26Å; K334-K338 WeakPolarHBondContact O-CG 3.24Å; K334-K338 PolarHBondContact O-N 3.12Å; K334-K338 VanDerWaalsContact O-N 3.13Å
335D84.1Confident84.9Confident41 Ų4141.2 Ų41.222%0.21920%0.201CC..Hα-helixtrans-77.6-37.4-177.6-56.8-48.1000111.6S333 L337 K338 V339 K714 F716S333-D335 PolarHBondContact O-N 2.97Å; S333-D335 PolarHBondContact OG-N 3.42Å; D335-L337 VanDerWaalsContact C-N 3.26Å; D335-L337 PolarHBondContact O-N 2.89Å; D335-K338 WeakPolarHBondContact O-CB 3.19Å; D335-K338 PolarHBondContact O-N 3.34Å; D335-K338 VanDerWaalsContact O-N 3.13Å; D335-K338 IonicContact OD1-NZ 3.5Å; D335-K338 PolarHBondContact OD1-NZ 3.43Å; D335-V339 WeakPolarHBondContact O-CG2 3.29Å; D335-V339 PolarHBondContact O-N 3.49Å; D335-K714 HydrophobicContact CB-CD 4.07Å; D335-K714 VanDerWaalsContact OD2-CD 3.31Å; D335-K714 WeakPolarHBondContact OD2-CD 3.29Å; D335-K714 VanDerWaalsContact OD2-CE 3.31Å; D335-K714 WeakPolarHBondContact OD2-CE 3.4Å; D335-K714 IonicContact OD2-NZ 3.54Å; D335-K714 PolarHBondContact OD2-NZ 3.36Å; D335-F716 HydrophobicContact CB-CZ 3.87Å
336S84.4Confident84.7Confident1 Ų145.9 Ų45.91%0.00722%0.221CC..Hα-helixtrans-60.1-37.4170.266.80000112.4S333 V339 I340 E370S333-S336 PolarHBondContact N-OG 3.26Å; S333-S336 PolarHBondContact O-N 2.85Å; S333-S336 PolarHBondContact O-OG 3.28Å; S333-S336 PolarHBondContact OG-N 3.44Å; S336-V339 PolarHBondContact O-N 3.11Å; S336-I340 WeakPolarHBondContact O-CG1 3.45Å; S336-I340 PolarHBondContact O-N 3.37Å; S336-E370 VanDerWaalsContact CB-OE1 3.24Å; S336-E370 WeakPolarHBondContact CB-OE1 3.43Å; S336-E370 PolarHBondContact OG-OE1 2.94Å
337L87Confident84.4Confident1 Ų146.7 Ų46.71%0.00523%0.228CC..Hα-helixtrans-67.5-35.5176.2-66.3175.2000111.9L322 M325 H332 S333 K334 D335 I340 F341 M364L322-L337 HydrophobicContact CD2-CB 3.73Å; M325-L337 HydrophobicContact CB-CD1 3.83Å; M325-L337 HydrophobicContact CB-CD2 3.86Å; M325-L337 HydrophobicContact CB-CG 4.39Å; M325-L337 HydrophobicContact CE-CD2 4.25Å; H332-L337 HydrophobicContact CB-CD2 3.96Å; H332-L337 HydrophobicContact CB-CG 4.04Å; S333-L337 PolarHBondContact O-N 2.73Å; K334-L337 PolarHBondContact O-N 3.26Å; D335-L337 VanDerWaalsContact C-N 3.26Å; D335-L337 PolarHBondContact O-N 2.89Å; L337-I340 PolarHBondContact O-N 3.48Å; L337-F341 PolarHBondContact O-N 2.81Å; L337-M364 HydrophobicContact CD2-SD 4.49Å
338K87.5Confident84.3Confident73 Ų7350.3 Ų50.332%0.31724%0.241SC..Hα-helixtrans-63.1-43.3171.7-68.4171.7-170.6159.70111.3L322 K334 D335 F341 H342L322-K338 HydrophobicContact CD1-CG 4.1Å; L322-K338 HydrophobicContact CD2-CG 3.98Å; K334-K338 WeakPolarHBondContact O-CG 3.24Å; K334-K338 PolarHBondContact O-N 3.12Å; K334-K338 VanDerWaalsContact O-N 3.13Å; D335-K338 WeakPolarHBondContact O-CB 3.19Å; D335-K338 PolarHBondContact O-N 3.34Å; D335-K338 VanDerWaalsContact O-N 3.13Å; D335-K338 IonicContact OD1-NZ 3.5Å; D335-K338 PolarHBondContact OD1-NZ 3.43Å; K338-F341 WeakPolarHBondContact O-CB 3.27Å; K338-F341 PolarHBondContact O-N 3.36Å; K338-H342 PolarHBondContact O-CD2 2.93Å; K338-H342 PolarHBondContact O-N 3.23Å
339V86.4Confident84.3Confident0 Ų052.5 Ų52.50%026%0.257CS..Hα-helixtrans-59.7-49.1176174.80000110.9D335 S336 F341 H342 V343 L671 M676 F716D335-V339 WeakPolarHBondContact O-CG2 3.29Å; D335-V339 PolarHBondContact O-N 3.49Å; S336-V339 PolarHBondContact O-N 3.11Å; V339-F341 VanDerWaalsContact C-N 3.26Å; V339-F341 PolarHBondContact O-N 3.18Å; V339-H342 PolarHBondContact O-N 2.64Å; V339-H342 VanDerWaalsContact O-N 3.1Å; V339-V343 HydrophobicContact CG1-CG2 4.12Å; V339-V343 WeakPolarHBondContact O-CB 3.18Å; V339-V343 VanDerWaalsContact O-CG2 3.26Å; V339-V343 WeakPolarHBondContact O-CG2 3.32Å; V339-V343 PolarHBondContact O-N 2.68Å; V339-L671 HydrophobicContact CG1-CD2 3.5Å; V339-M676 HydrophobicContact CG2-SD 3.58Å; V339-M676 VanDerWaalsContact CG2-SD 3.58Å; V339-F716 HydrophobicContact CG2-CD2 3.52Å; V339-F716 HydrophobicContact CG2-CE1 4.38Å; V339-F716 HydrophobicContact CG2-CE2 3.26Å; V339-F716 HydrophobicContact CG2-CG 4.21Å; V339-F716 HydrophobicContact CG2-CZ 3.73Å
340I87.7Confident84.6Confident1 Ų152.4 Ų52.41%0.00527%0.265CS..Hα-helixtrans-57.9-42177.8-67.9167.9000110.7F321 S336 L337 V343 L344 L360 M364 F368F321-I340 HydrophobicContact CZ-CG2 4.32Å; S336-I340 WeakPolarHBondContact O-CG1 3.45Å; S336-I340 PolarHBondContact O-N 3.37Å; L337-I340 PolarHBondContact O-N 3.48Å; I340-V343 PolarHBondContact O-N 3.17Å; I340-L344 HydrophobicContact CG2-CD1 3.85Å; I340-L344 HydrophobicContact CG2-CG 4.46Å; I340-L344 WeakPolarHBondContact O-CB 3.47Å; I340-L344 VanDerWaalsContact O-CG 3.25Å; I340-L344 WeakPolarHBondContact O-CG 3Å; I340-L344 PolarHBondContact O-N 3.5Å; I340-L360 HydrophobicContact CG2-CD1 4.25Å; I340-M364 HydrophobicContact CD1-SD 3.75Å; I340-M364 HydrophobicContact CG2-SD 4.29Å; I340-F368 HydrophobicContact CD1-CD2 4.5Å; I340-F368 HydrophobicContact CD1-CE2 4.05Å; I340-F368 HydrophobicContact CG1-CD2 4.48Å; I340-F368 HydrophobicContact CG1-CE2 3.74Å; I340-F368 HydrophobicContact CG1-CZ 4.42Å
341F90.9Very high85.3Confident2 Ų251 Ų511%0.00925%0.248CC..Hα-helixtrans-58.7-48.8174.6-176.5-85.8000112.2H318 F321 L337 K338 V339 V343 L344 D345 G350 L352H318-F341 HydrophobicContact CB-CE1 4Å; H318-F341 HydrophobicContact CB-CE2 4.12Å; H318-F341 HydrophobicContact CB-CZ 3.75Å; H318-F341 AromaticContact CE1-CD1 3.98Å; H318-F341 AromaticContact ND1-CD1 3.18Å; H318-F341 WeakPolarHBondContact ND1-CD1 3.48Å; H318-F341 AromaticContact ND1-CD2 3.88Å; H318-F341 AromaticContact ND1-CE1 3.45Å; H318-F341 WeakPolarHBondContact ND1-CE1 3.13Å; H318-F341 AromaticContact ND1-CG 3.43Å; H318-F341 WeakPolarHBondContact ND1-CG 3.37Å; H318-F341 AromaticContact ND1-CZ 3.89Å; F321-F341 HydrophobicContact CB-CD2 3.83Å; F321-F341 HydrophobicContact CB-CE2 4.01Å; F321-F341 HydrophobicContact CD1-CB 3.94Å; F321-F341 AromaticContact CD1-CD2 3.56Å; F321-F341 HydrophobicContact CD1-CD2 3.56Å; F321-F341 HydrophobicContact CD1-CG 4.2Å; F321-F341 HydrophobicContact CD2-CD2 4.3Å; F321-F341 HydrophobicContact CE1-CB 3.84Å; F321-F341 HydrophobicContact CE1-CD2 4.15Å; F321-F341 AromaticContact CG-CD2 3.63Å; F321-F341 HydrophobicContact CG-CD2 3.63Å; F321-F341 HydrophobicContact CG-CE2 4.27Å; L337-F341 PolarHBondContact O-N 2.81Å; K338-F341 WeakPolarHBondContact O-CB 3.27Å; K338-F341 PolarHBondContact O-N 3.36Å; V339-F341 VanDerWaalsContact C-N 3.26Å; V339-F341 PolarHBondContact O-N 3.18Å; F341-V343 VanDerWaalsContact C-N 3.31Å; F341-V343 PolarHBondContact O-N 2.79Å; F341-L344 PolarHBondContact O-N 3.35Å; F341-D345 HydrophobicContact CD1-CB 4.48Å; F341-D345 HydrophobicContact CE1-CB 4.18Å; F341-D345 WeakPolarHBondContact O-CB 3.43Å; F341-D345 PolarHBondContact O-N 2.77Å; F341-G350 WeakPolarHBondContact CZ-O 3.3Å; F341-L352 HydrophobicContact CD2-CD1 3.67Å; F341-L352 HydrophobicContact CD2-CD2 4.31Å; F341-L352 HydrophobicContact CD2-CG 3.85Å; F341-L352 HydrophobicContact CE2-CD1 3.75Å; F341-L352 HydrophobicContact CE2-CD2 4.17Å; F341-L352 HydrophobicContact CE2-CG 3.49Å; F341-L352 VanDerWaalsContact CE2-CG 3.49Å; F341-L352 HydrophobicContact CZ-CD2 4.45Å; F341-L352 HydrophobicContact CZ-CG 4.07Å
342H88Confident86Confident63 Ų6342.4 Ų42.429%0.29221%0.21SC..Hα-helixtrans-70.4-25.6-179.1-68.1-57.9000114.1K338 V339 R670 L674K338-H342 PolarHBondContact O-CD2 2.93Å; K338-H342 PolarHBondContact O-N 3.23Å; V339-H342 PolarHBondContact O-N 2.64Å; V339-H342 VanDerWaalsContact O-N 3.1Å; H342-R670 PolarHBondContact O-NE 3.45Å; H342-L674 HydrophobicContact CB-CD1 3.45Å; H342-L674 VanDerWaalsContact CB-CD1 3.45Å; H342-L674 HydrophobicContact CB-CD2 3.96Å; H342-L674 HydrophobicContact CB-CG 4.36Å
343V86.5Confident86.8Confident1 Ų141 Ų411%0.00620%0.204CC..Hα-helixtrans-72.7-34.7172.31720000110.9V339 I340 F341 Y363 Y666 I667 R670V339-V343 HydrophobicContact CG1-CG2 4.12Å; V339-V343 WeakPolarHBondContact O-CB 3.18Å; V339-V343 VanDerWaalsContact O-CG2 3.26Å; V339-V343 WeakPolarHBondContact O-CG2 3.32Å; V339-V343 PolarHBondContact O-N 2.68Å; I340-V343 PolarHBondContact O-N 3.17Å; F341-V343 VanDerWaalsContact C-N 3.31Å; F341-V343 PolarHBondContact O-N 2.79Å; V343-Y363 HydrophobicContact CG1-CD1 3.52Å; V343-Y363 HydrophobicContact CG1-CE1 3.36Å; V343-Y666 HydrophobicContact CG1-CD1 4.49Å; V343-Y666 HydrophobicContact CG1-CE1 3.95Å; V343-Y666 PolarHBondContact O-OH 3.44Å; V343-I667 HydrophobicContact CG1-CG1 4.16Å; V343-R670 HydrophobicContact CB-CG 4.42Å; V343-R670 HydrophobicContact CG2-CB 4.25Å; V343-R670 HydrophobicContact CG2-CG 4.04Å
344L88.3Confident87.1Confident4 Ų443.4 Ų43.42%0.02121%0.211CC..Hα-helixtrans-77.3-40.3176.7-73.7169.6000113.4F321 I340 F341 K346 L352 E356 R359 L360 Y363F321-L344 HydrophobicContact CZ-CD1 4.49Å; I340-L344 HydrophobicContact CG2-CD1 3.85Å; I340-L344 HydrophobicContact CG2-CG 4.46Å; I340-L344 WeakPolarHBondContact O-CB 3.47Å; I340-L344 VanDerWaalsContact O-CG 3.25Å; I340-L344 WeakPolarHBondContact O-CG 3Å; I340-L344 PolarHBondContact O-N 3.5Å; F341-L344 PolarHBondContact O-N 3.35Å; L344-K346 VanDerWaalsContact C-N 3.34Å; L344-K346 PolarHBondContact O-N 3.18Å; L344-L352 HydrophobicContact CB-CD2 3.56Å; L344-L352 HydrophobicContact CD1-CD1 4.31Å; L344-E356 WeakPolarHBondContact O-CB 3.44Å; L344-E356 WeakPolarHBondContact O-CG 3.5Å; L344-R359 HydrophobicContact CD2-CB 4.24Å; L344-L360 HydrophobicContact CD1-CB 4.37Å; L344-L360 HydrophobicContact CD1-CD1 3.63Å; L344-Y363 HydrophobicContact CD2-CD2 3.26Å; L344-Y363 HydrophobicContact CD2-CE2 3.54Å; L344-Y363 HydrophobicContact CD2-CG 3.99Å; L344-Y363 HydrophobicContact CG-CD2 4.15Å; L344-Y363 HydrophobicContact CG-CG 4.43Å
345D89.8Confident87.2Confident6 Ų641.8 Ų41.83%0.03221%0.206CC..  trans-73.684.4178-1769000110F341 N347 K348 S349 G350 L352 R670F341-D345 HydrophobicContact CD1-CB 4.48Å; F341-D345 HydrophobicContact CE1-CB 4.18Å; F341-D345 WeakPolarHBondContact O-CB 3.43Å; F341-D345 PolarHBondContact O-N 2.77Å; D345-N347 VanDerWaalsContact C-N 3.3Å; D345-K348 WeakPolarHBondContact OD1-CA 3.25Å; D345-K348 PolarHBondContact OD1-N 3Å; D345-K348 WeakPolarHBondContact OD2-CA 3.25Å; D345-S349 PolarHBondContact OD1-N 3.45Å; D345-S349 PolarHBondContact OD2-N 2.84Å; D345-S349 VanDerWaalsContact OD2-N 3.17Å; D345-G350 PolarHBondContact OD2-N 3.35Å; D345-L352 HydrophobicContact CB-CD2 3.95Å; D345-R670 PolarHBondContact O-NH2 2.93Å
346K84.6Confident87.4Confident99 Ų9940 Ų4043%0.4320%0.196SC..THydrogen-bonded Turntrans-65-40.9179.4-71.7-177.3171.4-166.90110.2L344 K348 E356 Y666L344-K346 VanDerWaalsContact C-N 3.34Å; L344-K346 PolarHBondContact O-N 3.18Å; K346-K348 VanDerWaalsContact C-N 3.28Å; K346-K348 PolarHBondContact O-N 2.89Å; K346-E356 WeakPolarHBondContact CB-OE1 3.23Å; K346-E356 PolarHBondContact N-OE1 2.71Å; K346-Y666 WeakPolarHBondContact CG-OH 3.39Å
347N83Confident87.7Confident102 Ų10240 Ų4055%0.54520%0.196SC..THydrogen-bonded Turntrans-80.4-6.3-174.1-64.4-12000113.6D345 S349 E356D345-N347 VanDerWaalsContact C-N 3.3Å; N347-S349 PolarHBondContact O-N 2.73Å; N347-E356 PolarHBondContact N-OE1 2.77Å
348K83.9Confident87.6Confident146 Ų14641.7 Ų41.764%0.63520%0.203SC*.  trans54.232.6-175.2-56.4-177.3-179.2-177.80112.1D345 K346 G350D345-K348 WeakPolarHBondContact OD1-CA 3.25Å; D345-K348 PolarHBondContact OD1-N 3Å; D345-K348 WeakPolarHBondContact OD2-CA 3.25Å; K346-K348 VanDerWaalsContact C-N 3.28Å; K346-K348 PolarHBondContact O-N 2.89Å; K348-G350 VanDerWaalsContact C-N 3.3Å
349S84.5Confident87.4Confident47 Ų4741.7 Ų41.733%0.32920%0.202SC..SBendtrans-79.5-15.7-174.972.10000112.6D345 N347 Y351D345-S349 PolarHBondContact OD1-N 3.45Å; D345-S349 PolarHBondContact OD2-N 2.84Å; D345-S349 VanDerWaalsContact OD2-N 3.17Å; N347-S349 PolarHBondContact O-N 2.73Å; S349-Y351 WeakPolarHBondContact O-CD2 3.33Å; S349-Y351 PolarHBondContact O-N 2.96Å; S349-Y351 PolarHBondContact OG-N 2.99Å; S349-Y351 VanDerWaalsContact OG-N 3.13Å; S349-Y351 PolarHBondContact OG-O 3.04Å
350G87.1Confident87.5Confident31 Ų3141.7 Ų41.732%0.3220%0.202SC..SBendtrans791.9-169.800000113.5H318 F341 D345 K348H318-G350 PolarHBondContact N-O 2.99Å; F341-G350 WeakPolarHBondContact CZ-O 3.3Å; D345-G350 PolarHBondContact OD2-N 3.35Å; K348-G350 VanDerWaalsContact C-N 3.3Å
351Y90.6Very high87.2Confident64 Ų6441.8 Ų41.825%0.25120%0.202SC..EExtended strand (participates in β ladder)trans-128.5139.6175.5-64.5-93.4000109.8T309 P310 V316 S349T309-Y351 HydrophobicContact CG2-CD1 3.78Å; T309-Y351 HydrophobicContact CG2-CD2 4.17Å; T309-Y351 HydrophobicContact CG2-CE1 4.43Å; T309-Y351 HydrophobicContact CG2-CG 3.63Å; P310-Y351 HydrophobicContact CG-CE2 4.11Å; V316-Y351 WeakPolarHBondContact O-CA 3.49Å; S349-Y351 WeakPolarHBondContact O-CD2 3.33Å; S349-Y351 PolarHBondContact O-N 2.96Å; S349-Y351 PolarHBondContact OG-N 2.99Å; S349-Y351 VanDerWaalsContact OG-N 3.13Å; S349-Y351 PolarHBondContact OG-O 3.04Å
352L91.2Very high86.6Confident0 Ų042.8 Ų42.80%021%0.207CC..EExtended strand (participates in β ladder)trans-86.1119.3170-64.5174.5000109.3F302 G315 V316 F321 F341 L344 D345 E356 F357F302-L352 WeakPolarHBondContact CE2-O 3Å; G315-L352 CarbonylContact C-O 3.58Å; G315-L352 WeakPolarHBondContact CA-O 3.42Å; V316-L352 HydrophobicContact CB-CB 4.41Å; V316-L352 PolarHBondContact N-O 2.98Å; V316-L352 PolarHBondContact O-N 3.36Å; F321-L352 HydrophobicContact CD2-CD1 3.67Å; F321-L352 HydrophobicContact CE2-CD1 3.89Å; F321-L352 HydrophobicContact CG-CD1 4.27Å; F341-L352 HydrophobicContact CD2-CD1 3.67Å; F341-L352 HydrophobicContact CD2-CD2 4.31Å; F341-L352 HydrophobicContact CD2-CG 3.85Å; F341-L352 HydrophobicContact CE2-CD1 3.75Å; F341-L352 HydrophobicContact CE2-CD2 4.17Å; F341-L352 HydrophobicContact CE2-CG 3.49Å; F341-L352 VanDerWaalsContact CE2-CG 3.49Å; F341-L352 HydrophobicContact CZ-CD2 4.45Å; F341-L352 HydrophobicContact CZ-CG 4.07Å; L344-L352 HydrophobicContact CB-CD2 3.56Å; L344-L352 HydrophobicContact CD1-CD1 4.31Å; D345-L352 HydrophobicContact CB-CD2 3.95Å; L352-E356 HydrophobicContact CD2-CB 4.29Å; L352-F357 HydrophobicContact CB-CB 4.47Å; L352-F357 HydrophobicContact CD1-CD2 4.24Å
353L91.1Very high86.3Confident16 Ų1640 Ų408%0.08419%0.194CC..EExtended strand (participates in β ladder)trans-73.9164.9171.1-63.6176.6000110.5Q313 H355 E356 F357Q313-L353 HydrophobicContact CB-CD2 4.09Å; Q313-L353 VanDerWaalsContact OE1-CD2 3.3Å; L353-H355 VanDerWaalsContact C-N 3.34Å; L353-H355 PolarHBondContact O-N 3.39Å; L353-E356 HydrophobicContact CB-CG 4.48Å; L353-E356 PolarHBondContact N-OE2 2.74Å; L353-E356 PolarHBondContact O-N 3.03Å; L353-E356 VanDerWaalsContact O-N 3.08Å; L353-F357 WeakPolarHBondContact O-CB 3.31Å; L353-F357 PolarHBondContact O-N 2.83Å
354K88.9Confident86Confident79 Ų7940.6 Ų40.634%0.34320%0.197SC..Hα-helixtrans-52.4-49.6-177.6178.9172.6170.4159.60112.8D299 F302 E356 F357 E358D299-K354 VanDerWaalsContact CG-CE 3.46Å; D299-K354 WeakPolarHBondContact OD1-CE 3.14Å; D299-K354 IonicContact OD1-NZ 2.63Å; D299-K354 PolarHBondContact OD1-NZ 3.43Å; D299-K354 IonicContact OD2-NZ 3.77Å; D299-K354 PolarHBondContact OD2-NZ 3.06Å; F302-K354 HydrophobicContact CD1-CB 4.21Å; F302-K354 HydrophobicContact CD1-CG 4.32Å; F302-K354 HydrophobicContact CE1-CB 3.79Å; F302-K354 HydrophobicContact CE1-CG 4.37Å; F302-K354 HydrophobicContact CE2-CB 4.34Å; F302-K354 HydrophobicContact CZ-CB 3.86Å; K354-E356 VanDerWaalsContact C-N 3.28Å; K354-E356 PolarHBondContact O-N 3.08Å; K354-F357 PolarHBondContact O-N 3.01Å; K354-E358 WeakPolarHBondContact CE-OE1 3.49Å; K354-E358 WeakPolarHBondContact O-CG 2.97Å; K354-E358 PolarHBondContact O-N 2.92Å
355H85.4Confident85.3Confident101 Ų10141.6 Ų41.647%0.46820%0.201SC..Hα-helixtrans-67.4-26-178.264.8-89.5000113.4L353L353-H355 VanDerWaalsContact C-N 3.34Å; L353-H355 PolarHBondContact O-N 3.39Å
356E88.9Confident84.5Confident3 Ų341.5 Ų41.51%0.01420%0.202CC..Hα-helixtrans-77.4-46.1173.4-62.4174.114100110L344 K346 N347 L352 L353 K354 E358 R359L344-E356 WeakPolarHBondContact O-CB 3.44Å; L344-E356 WeakPolarHBondContact O-CG 3.5Å; K346-E356 WeakPolarHBondContact CB-OE1 3.23Å; K346-E356 PolarHBondContact N-OE1 2.71Å; N347-E356 PolarHBondContact N-OE1 2.77Å; L352-E356 HydrophobicContact CD2-CB 4.29Å; L353-E356 HydrophobicContact CB-CG 4.48Å; L353-E356 PolarHBondContact N-OE2 2.74Å; L353-E356 PolarHBondContact O-N 3.03Å; L353-E356 VanDerWaalsContact O-N 3.08Å; K354-E356 VanDerWaalsContact C-N 3.28Å; K354-E356 PolarHBondContact O-N 3.08Å; E356-E358 VanDerWaalsContact C-N 3.33Å; E356-E358 PolarHBondContact O-N 3.37Å; E356-R359 PolarHBondContact O-N 3.24Å; E356-R359 VanDerWaalsContact O-N 3.14Å
357F90.2Very high84Confident1 Ų142.3 Ų42.30%0.00421%0.205CC..Hα-helixtrans-63.2-35.2-179.7-170.6-97.2000113I22 L298 A301 F302 I305 V316 L352 L353 K354 R359 L360I22-F357 HydrophobicContact CD1-CZ 3.85Å; I22-F357 HydrophobicContact CG1-CZ 4.06Å; L298-F357 HydrophobicContact CB-CD1 4.3Å; L298-F357 HydrophobicContact CB-CE1 4.21Å; L298-F357 HydrophobicContact CD2-CE1 3.98Å; L298-F357 HydrophobicContact CD2-CZ 4.44Å; L298-F357 WeakPolarHBondContact O-CE1 3.49Å; A301-F357 HydrophobicContact CB-CE1 4.38Å; F302-F357 HydrophobicContact CB-CD1 3.73Å; F302-F357 HydrophobicContact CB-CE1 4Å; F302-F357 HydrophobicContact CD2-CB 3.67Å; F302-F357 AromaticContact CD2-CD1 3.75Å; F302-F357 HydrophobicContact CD2-CD1 3.75Å; F302-F357 HydrophobicContact CD2-CD2 4.41Å; F302-F357 AromaticContact CD2-CG 3.68Å; F302-F357 HydrophobicContact CD2-CG 3.68Å; F302-F357 HydrophobicContact CE2-CB 4.07Å; F302-F357 HydrophobicContact CE2-CG 4.46Å; F302-F357 HydrophobicContact CG-CD1 4.22Å; I305-F357 HydrophobicContact CD1-CE2 4.08Å; I305-F357 HydrophobicContact CD1-CZ 3.9Å; V316-F357 HydrophobicContact CG2-CD2 4.21Å; V316-F357 HydrophobicContact CG2-CE2 4.39Å; L352-F357 HydrophobicContact CB-CB 4.47Å; L352-F357 HydrophobicContact CD1-CD2 4.24Å; L353-F357 WeakPolarHBondContact O-CB 3.31Å; L353-F357 PolarHBondContact O-N 2.83Å; K354-F357 PolarHBondContact O-N 3.01Å; F357-R359 PolarHBondContact O-N 3.17Å; F357-L360 HydrophobicContact CD2-CD2 4.45Å; F357-L360 HydrophobicContact CE2-CD2 3.87Å; F357-L360 HydrophobicContact CZ-CD2 4.04Å; F357-L360 WeakPolarHBondContact O-CB 3.31Å; F357-L360 PolarHBondContact O-N 3.31Å
358E85.5Confident83.8Confident36 Ų3638.7 Ų38.717%0.16819%0.185CC..THydrogen-bonded Turntrans-61-24.1176.1-79176.8-16600113.6K295 L298 K354 E356 L360K295-E358 HydrophobicContact CG-CB 4.38Å; L298-E358 VanDerWaalsContact CD1-O 3.24Å; L298-E358 WeakPolarHBondContact CD1-O 3.48Å; K354-E358 WeakPolarHBondContact CE-OE1 3.49Å; K354-E358 WeakPolarHBondContact O-CG 2.97Å; K354-E358 PolarHBondContact O-N 2.92Å; E356-E358 VanDerWaalsContact C-N 3.33Å; E356-E358 PolarHBondContact O-N 3.37Å; E358-L360 VanDerWaalsContact C-N 3.34Å
359R82.9Confident83.6Confident74 Ų7434.3 Ų34.328%0.27917%0.166SC..THydrogen-bonded Turntrans-85.1-5.5176.2-59.5-169.666.6-177-2.2113.5L344 E356 F357 S361 E362 Y363L344-R359 HydrophobicContact CD2-CB 4.24Å; E356-R359 PolarHBondContact O-N 3.24Å; E356-R359 VanDerWaalsContact O-N 3.14Å; F357-R359 PolarHBondContact O-N 3.17Å; R359-S361 PolarHBondContact O-N 3.44Å; R359-E362 IonicContact CZ-OE2 2.82Å; R359-E362 IonicContact NE-OE2 3.9Å; R359-E362 PolarHBondContact NE-OE2 3.27Å; R359-E362 IonicContact NH2-OE2 3.65Å; R359-E362 PolarHBondContact NH2-OE2 2.94Å; R359-E362 WeakPolarHBondContact O-CB 3.4Å; R359-E362 PolarHBondContact O-N 3.5Å; R359-Y363 HydrophobicContact CB-CD2 4.18Å; R359-Y363 HydrophobicContact CB-CE2 3.8Å; R359-Y363 VanDerWaalsContact O-CD2 3.3Å; R359-Y363 WeakPolarHBondContact O-CD2 3.26Å
360L87.9Confident83.6Confident0 Ų034.9 Ų34.90%016%0.164CC..Hα-helixtrans-48.8-41.2-178.4176.762.4000112.9I22 L298 F321 M325 I340 L344 F357 E358 E362 Y363 M364I22-L360 HydrophobicContact CG2-CD2 3.96Å; L298-L360 HydrophobicContact CD1-CB 4.3Å; L298-L360 HydrophobicContact CD2-CB 4.49Å; L298-L360 HydrophobicContact CD2-CD2 4.2Å; F321-L360 HydrophobicContact CE2-CD1 3.68Å; F321-L360 HydrophobicContact CE2-CD2 4.15Å; F321-L360 HydrophobicContact CZ-CD1 3.81Å; M325-L360 HydrophobicContact CE-CD1 4.43Å; M325-L360 HydrophobicContact SD-CD2 4.05Å; I340-L360 HydrophobicContact CG2-CD1 4.25Å; L344-L360 HydrophobicContact CD1-CB 4.37Å; L344-L360 HydrophobicContact CD1-CD1 3.63Å; F357-L360 HydrophobicContact CD2-CD2 4.45Å; F357-L360 HydrophobicContact CE2-CD2 3.87Å; F357-L360 HydrophobicContact CZ-CD2 4.04Å; F357-L360 WeakPolarHBondContact O-CB 3.31Å; F357-L360 PolarHBondContact O-N 3.31Å; E358-L360 VanDerWaalsContact C-N 3.34Å; L360-E362 PolarHBondContact O-N 3.47Å; L360-Y363 PolarHBondContact O-N 3.39Å; L360-M364 HydrophobicContact CD1-CG 3.73Å; L360-M364 HydrophobicContact CD1-SD 4.2Å; L360-M364 HydrophobicContact CG-CG 4.03Å; L360-M364 WeakPolarHBondContact O-CB 3.36Å; L360-M364 VanDerWaalsContact O-CG 3.26Å; L360-M364 WeakPolarHBondContact O-CG 3.45Å; L360-M364 PolarHBondContact O-N 3.18Å
361S82.2Confident83.3Confident2 Ų233.4 Ų33.41%0.01415%0.149CC..Hα-helixtrans-64.3-24.6-179.371.20000114.3R294 R359 Q365R294-S361 WeakPolarHBondContact CD-OG 3.37Å; R359-S361 PolarHBondContact O-N 3.44Å; S361-Q365 WeakPolarHBondContact O-CG 3.37Å
362E77.4Confident83Confident24 Ų2433.2 Ų33.211%0.11215%0.15CC..Hα-helixtrans-74-50.7176.2-62.8164.6-161.700109.7R359 L360 M364 Q365 F663 F730R359-E362 IonicContact CZ-OE2 2.82Å; R359-E362 IonicContact NE-OE2 3.9Å; R359-E362 PolarHBondContact NE-OE2 3.27Å; R359-E362 IonicContact NH2-OE2 3.65Å; R359-E362 PolarHBondContact NH2-OE2 2.94Å; R359-E362 WeakPolarHBondContact O-CB 3.4Å; R359-E362 PolarHBondContact O-N 3.5Å; L360-E362 PolarHBondContact O-N 3.47Å; E362-M364 PolarHBondContact O-N 2.95Å; E362-Q365 WeakPolarHBondContact O-CB 3.41Å; E362-Q365 PolarHBondContact O-N 3.48Å; E362-F663 HydrophobicContact CB-CE2 4.22Å; E362-F730 HydrophobicContact CG-CE1 4.39Å
363Y81.7Confident82.5Confident3 Ų333.3 Ų33.31%0.01215%0.15CC..Hα-helixtrans-71.4-28.3-177.3-64.3-87.6000113.4V343 L344 R359 L360 Q365 A366 F663 Y666 I667V343-Y363 HydrophobicContact CG1-CD1 3.52Å; V343-Y363 HydrophobicContact CG1-CE1 3.36Å; L344-Y363 HydrophobicContact CD2-CD2 3.26Å; L344-Y363 HydrophobicContact CD2-CE2 3.54Å; L344-Y363 HydrophobicContact CD2-CG 3.99Å; L344-Y363 HydrophobicContact CG-CD2 4.15Å; L344-Y363 HydrophobicContact CG-CG 4.43Å; R359-Y363 HydrophobicContact CB-CD2 4.18Å; R359-Y363 HydrophobicContact CB-CE2 3.8Å; R359-Y363 VanDerWaalsContact O-CD2 3.3Å; R359-Y363 WeakPolarHBondContact O-CD2 3.26Å; L360-Y363 PolarHBondContact O-N 3.39Å; Y363-Q365 PolarHBondContact O-N 3.08Å; Y363-A366 VanDerWaalsContact O-CB 3.3Å; Y363-A366 WeakPolarHBondContact O-CB 3.48Å; Y363-A366 PolarHBondContact O-N 2.88Å; Y363-A366 VanDerWaalsContact O-N 3.11Å; Y363-F663 AromaticContact CD1-CE2 3.66Å; Y363-F663 HydrophobicContact CD1-CE2 3.66Å; Y363-F663 AromaticContact CD1-CZ 3.84Å; Y363-F663 HydrophobicContact CD1-CZ 3.84Å; Y363-F663 HydrophobicContact CD2-CE2 4.32Å; Y363-F663 HydrophobicContact CE1-CD2 4.21Å; Y363-F663 AromaticContact CE1-CE2 3.47Å; Y363-F663 HydrophobicContact CE1-CE2 3.47Å; Y363-F663 VanDerWaalsContact CE1-CE2 3.47Å; Y363-F663 HydrophobicContact CE1-CZ 4.09Å; Y363-F663 HydrophobicContact CE2-CE2 4.18Å; Y363-F663 HydrophobicContact CG-CE2 4.11Å; Y363-F663 HydrophobicContact CG-CZ 4.26Å; Y363-F663 AromaticContact CZ-CE2 3.77Å; Y363-Y666 HydrophobicContact CE1-CD1 4.16Å; Y363-Y666 HydrophobicContact CE1-CE1 4.09Å; Y363-Y666 WeakPolarHBondContact OH-CE1 3.2Å; Y363-I667 HydrophobicContact CD1-CD1 3.99Å; Y363-I667 HydrophobicContact CD1-CG1 4.12Å; Y363-I667 HydrophobicContact CE1-CD1 4.22Å; Y363-I667 HydrophobicContact CE1-CG1 3.96Å
364M81.5Confident81.9Confident15 Ų1532.6 Ų32.67%0.07415%0.147CC..THydrogen-bonded Turntrans-66.3-17.4173.5-74.5-57.4-56.700113.5M325 H329 L337 I340 L360 E362M325-M364 HydrophobicContact CE-CE 3.51Å; M325-M364 HydrophobicContact CE-CG 4Å; M325-M364 HydrophobicContact CE-SD 3.31Å; M325-M364 WeakPolarHBondContact CE-SD 3.46Å; H329-M364 HydrophobicContact CB-CE 4.16Å; L337-M364 HydrophobicContact CD2-SD 4.49Å; I340-M364 HydrophobicContact CD1-SD 3.75Å; I340-M364 HydrophobicContact CG2-SD 4.29Å; L360-M364 HydrophobicContact CD1-CG 3.73Å; L360-M364 HydrophobicContact CD1-SD 4.2Å; L360-M364 HydrophobicContact CG-CG 4.03Å; L360-M364 WeakPolarHBondContact O-CB 3.36Å; L360-M364 VanDerWaalsContact O-CG 3.26Å; L360-M364 WeakPolarHBondContact O-CG 3.45Å; L360-M364 PolarHBondContact O-N 3.18Å; E362-M364 PolarHBondContact O-N 2.95Å
365Q72.9Confident81.4Confident24 Ų2431.3 Ų31.311%0.11214%0.14CC..THydrogen-bonded Turntrans-81.8-19.9174.1-59.6-171.4-4.800112.7S361 E362 Y363 K367 E726 I727S361-Q365 WeakPolarHBondContact O-CG 3.37Å; E362-Q365 WeakPolarHBondContact O-CB 3.41Å; E362-Q365 PolarHBondContact O-N 3.48Å; Y363-Q365 PolarHBondContact O-N 3.08Å; Q365-K367 PolarHBondContact O-N 3.42Å; Q365-E726 PolarHBondContact NE2-OE2 3.35Å; Q365-I727 HydrophobicContact CB-CD1 3.85Å; Q365-I727 HydrophobicContact CB-CG1 3.93Å; Q365-I727 WeakPolarHBondContact O-CD1 3.19Å
366A72.5Confident80.9Confident5 Ų530.3 Ų30.34%0.04114%0.141CC..PPolyproline II helixtrans-65.8126.6176.600000109.9Y363 F368 I667 L718Y363-A366 VanDerWaalsContact O-CB 3.3Å; Y363-A366 WeakPolarHBondContact O-CB 3.48Å; Y363-A366 PolarHBondContact O-N 2.88Å; Y363-A366 VanDerWaalsContact O-N 3.11Å; A366-F368 HydrophobicContact CB-CE2 3.86Å; A366-F368 HydrophobicContact CB-CZ 3.87Å; A366-I667 HydrophobicContact CB-CD1 4.18Å; A366-L718 HydrophobicContact CB-CD1 3.99Å
367K74.9Confident80.2Confident116 Ų11632.4 Ų32.450%0.50415%0.149SC..PPolyproline II helixtrans-94.6120.1176-71.1179.5-176.6166.80109Q365 K719Q365-K367 PolarHBondContact O-N 3.42Å; K367-K719 HydrophobicContact CB-CB 4.17Å; K367-K719 WeakPolarHBondContact O-CB 3.39Å; K367-K719 PolarHBondContact O-N 2.94Å
368F78.8Confident79.5Confident26 Ų2632.3 Ų32.311%0.11415%0.149CC..EExtended strand (participates in β ladder)trans-99134.3174.1-58.5-81.7000110I340 A366 I667 L671 F716 Y717 L718I340-F368 HydrophobicContact CD1-CD2 4.5Å; I340-F368 HydrophobicContact CD1-CE2 4.05Å; I340-F368 HydrophobicContact CG1-CD2 4.48Å; I340-F368 HydrophobicContact CG1-CE2 3.74Å; I340-F368 HydrophobicContact CG1-CZ 4.42Å; A366-F368 HydrophobicContact CB-CE2 3.86Å; A366-F368 HydrophobicContact CB-CZ 3.87Å; F368-I667 HydrophobicContact CE1-CG2 3.86Å; F368-I667 HydrophobicContact CZ-CG2 4.27Å; F368-L671 HydrophobicContact CE1-CD1 4.4Å; F368-F716 HydrophobicContact CB-CB 4.44Å; F368-F716 HydrophobicContact CB-CD1 3.95Å; F368-F716 HydrophobicContact CD1-CB 4.29Å; F368-Y717 CarbonylContact C-O 3.58Å; F368-Y717 WeakPolarHBondContact CA-O 3.33Å; F368-L718 HydrophobicContact CD1-CD1 4.43Å; F368-L718 HydrophobicContact CE1-CD1 4.08Å
369E79.7Confident79Confident53 Ų5333.4 Ų33.425%0.24816%0.155CC..EExtended strand (participates in β ladder)trans-90119.8163.7-161173.1154.300108.5F716 Y717 K719E369-F716 VanDerWaalsContact O-CA 3.31Å; E369-F716 WeakPolarHBondContact O-CA 3.32Å; E369-Y717 PolarHBondContact N-O 3.37Å; E369-Y717 PolarHBondContact O-N 2.9Å; E369-K719 HydrophobicContact CB-CD 4.45Å; E369-K719 VanDerWaalsContact CB-CE 3.45Å; E369-K719 HydrophobicContact CB-CG 4.18Å; E369-K719 WeakPolarHBondContact OE2-CE 3.29Å; E369-K719 IonicContact OE2-NZ 2.87Å
370E83.8Confident78.4Confident59 Ų5934.3 Ų34.328%0.27617%0.169SC..EExtended strand (participates in β ladder)trans-92.1129-179.4-44.4-171.3174.500110.2S333 S336 Y377 F716S333-E370 WeakPolarHBondContact CB-OE1 3.45Å; S333-E370 WeakPolarHBondContact CB-OE2 3.44Å; S333-E370 PolarHBondContact OG-OE1 3.42Å; S333-E370 PolarHBondContact OG-OE2 3.43Å; S336-E370 VanDerWaalsContact CB-OE1 3.24Å; S336-E370 WeakPolarHBondContact CB-OE1 3.43Å; S336-E370 PolarHBondContact OG-OE1 2.94Å; E370-Y377 PolarHBondContact O-OH 2.92Å; E370-F716 HydrophobicContact CB-CD1 4.32Å; E370-F716 HydrophobicContact CB-CE1 4.16Å; E370-F716 HydrophobicContact CG-CD1 3.83Å; E370-F716 HydrophobicContact CG-CE1 3.59Å
371I82.3Confident77.4Confident0 Ų036.4 Ų36.40%018%0.177CC..EExtended strand (participates in β ladder)trans-118.7120.2172.6-62.6178.5000107.5Y377 F378 A678 L682 F690 K714 V715 Y717I371-Y377 HydrophobicContact CG2-CD1 4.39Å; I371-Y377 HydrophobicContact CG2-CE1 3.88Å; I371-F378 HydrophobicContact CG2-CE1 4.4Å; I371-F378 HydrophobicContact CG2-CZ 4.07Å; I371-A678 HydrophobicContact CD1-CB 4.39Å; I371-L682 HydrophobicContact CD1-CD1 3.97Å; I371-F690 HydrophobicContact CD1-CD1 4Å; I371-F690 HydrophobicContact CD1-CE1 3.87Å; I371-K714 CarbonylContact O-C 3.56Å; I371-K714 WeakPolarHBondContact O-CA 3.49Å; I371-V715 HydrophobicContact CB-CG2 3.95Å; I371-V715 HydrophobicContact CG2-CG2 4.25Å; I371-V715 PolarHBondContact N-O 2.86Å; I371-V715 PolarHBondContact O-N 2.98Å; I371-Y717 HydrophobicContact CD1-CD2 3.52Å; I371-Y717 HydrophobicContact CD1-CE2 3.33Å; I371-Y717 HydrophobicContact CG1-CD2 4.44Å
372E82.5Confident76.7Confident61 Ų6137.2 Ų37.229%0.28518%0.182SC..EExtended strand (participates in β ladder)trans-85.5121.9172.6-166.7-176.5137.700108.8S374 Y377 K714E372-S374 VanDerWaalsContact CD-OG 3.25Å; E372-S374 WeakPolarHBondContact CG-OG 3.3Å; E372-S374 PolarHBondContact O-N 2.94Å; E372-S374 VanDerWaalsContact OE1-CB 3.24Å; E372-S374 WeakPolarHBondContact OE1-CB 3.17Å; E372-S374 PolarHBondContact OE1-OG 2.91Å; E372-Y377 HydrophobicContact CB-CD2 3.86Å; E372-Y377 HydrophobicContact CB-CG 3.92Å; E372-Y377 WeakPolarHBondContact O-CB 3.27Å; E372-Y377 VanDerWaalsContact O-CD1 3.31Å; E372-Y377 WeakPolarHBondContact O-CD1 3.45Å; E372-K714 HydrophobicContact CB-CG 4.29Å; E372-K714 HydrophobicContact CG-CG 4.17Å
373L81.9Confident75.9Confident1 Ų137.3 Ų37.31%0.00519%0.185CC..  trans-78.844.2177.8-62.3174000111.4F378 L682 R685 I707 N711 Q713 V715L373-F378 HydrophobicContact CD2-CE2 4.19Å; L373-F378 HydrophobicContact CD2-CZ 4.18Å; L373-L682 HydrophobicContact CD2-CD2 3.92Å; L373-R685 VanDerWaalsContact CD1-CZ 3.48Å; L373-I707 WeakPolarHBondContact O-CG2 3.43Å; L373-N711 WeakPolarHBondContact O-CB 3.37Å; L373-Q713 VanDerWaalsContact CB-O 3.28Å; L373-Q713 WeakPolarHBondContact CB-O 3.25Å; L373-Q713 HydrophobicContact CD1-CB 4.3Å; L373-Q713 HydrophobicContact CD1-CG 4.26Å; L373-Q713 PolarHBondContact N-O 3.02Å; L373-V715 HydrophobicContact CD1-CG1 3.6Å; L373-V715 HydrophobicContact CD1-CG2 4.3Å; L373-V715 HydrophobicContact CD2-CG2 4.01Å; L373-V715 HydrophobicContact CG-CG1 4.17Å; L373-V715 HydrophobicContact CG-CG2 4.03Å
374S78.9Confident75.1Confident1 Ų147.2 Ų47.21%0.00723%0.228CC..SBendtrans-108147.3178.567.70000110.7E372 T376 Y377 F378 N711E372-S374 VanDerWaalsContact CD-OG 3.25Å; E372-S374 WeakPolarHBondContact CG-OG 3.3Å; E372-S374 PolarHBondContact O-N 2.94Å; E372-S374 VanDerWaalsContact OE1-CB 3.24Å; E372-S374 WeakPolarHBondContact OE1-CB 3.17Å; E372-S374 PolarHBondContact OE1-OG 2.91Å; S374-T376 PolarHBondContact O-N 3.48Å; S374-T376 PolarHBondContact OG-OG1 2.98Å; S374-Y377 PolarHBondContact O-N 3.3Å; S374-Y377 WeakPolarHBondContact OG-CB 3.48Å; S374-Y377 PolarHBondContact OG-N 3.38Å; S374-F378 VanDerWaalsContact O-CD2 3.3Å; S374-F378 WeakPolarHBondContact O-CD2 3.24Å; S374-F378 PolarHBondContact O-N 3.29Å; S374-N711 WeakPolarHBondContact CA-O 3.44Å; S374-N711 WeakPolarHBondContact CB-O 3Å
375R77.1Confident74.3Confident53 Ų5352.9 Ų52.920%0.225%0.252CS..Hα-helixtrans-61.5-32.2177-161.2173-171.7146.510.2111.5N379 L702 D703 I707 E709R375-N379 WeakPolarHBondContact O-CB 3.43Å; R375-N379 PolarHBondContact O-N 3.48Å; R375-N379 PolarHBondContact O-ND2 3.42Å; R375-N379 PolarHBondContact O-OD1 2.99Å; R375-L702 HydrophobicContact CG-CD1 4.49Å; R375-D703 IonicContact CZ-OD1 3.48Å; R375-D703 IonicContact NH1-OD1 2.77Å; R375-D703 PolarHBondContact NH1-OD1 3.49Å; R375-D703 IonicContact NH2-OD1 2.71Å; R375-D703 PolarHBondContact NH2-OD1 2.89Å; R375-D703 IonicContact NH2-OD2 3.96Å; R375-I707 HydrophobicContact CB-CG2 4.38Å; R375-E709 HydrophobicContact CB-CG 4.01Å
376T75.7Confident73.8Confident79 Ų7953.1 Ų53.149%0.48525%0.253SS..Hα-helixtrans-64.7-44.3176.449.20000112.4S374 N379 T380S374-T376 PolarHBondContact O-N 3.48Å; S374-T376 PolarHBondContact OG-OG1 2.98Å; T376-N379 PolarHBondContact O-N 3.2Å; T376-T380 PolarHBondContact O-N 3Å; T376-T380 PolarHBondContact O-OG1 2.93Å; T376-T380 VanDerWaalsContact O-OG1 3.11Å
377Y74.5Confident73.4Confident47 Ų4760.4 Ų60.418%0.18429%0.285CS..Hα-helixtrans-60-52.9175.5-178.1-90.8000110.7E370 I371 E372 S374 N379 T380 Y381 F690E370-Y377 PolarHBondContact O-OH 2.92Å; I371-Y377 HydrophobicContact CG2-CD1 4.39Å; I371-Y377 HydrophobicContact CG2-CE1 3.88Å; E372-Y377 HydrophobicContact CB-CD2 3.86Å; E372-Y377 HydrophobicContact CB-CG 3.92Å; E372-Y377 WeakPolarHBondContact O-CB 3.27Å; E372-Y377 VanDerWaalsContact O-CD1 3.31Å; E372-Y377 WeakPolarHBondContact O-CD1 3.45Å; S374-Y377 PolarHBondContact O-N 3.3Å; S374-Y377 WeakPolarHBondContact OG-CB 3.48Å; S374-Y377 PolarHBondContact OG-N 3.38Å; Y377-N379 VanDerWaalsContact C-N 3.34Å; Y377-N379 PolarHBondContact O-N 2.56Å; Y377-T380 VanDerWaalsContact O-CB 3.29Å; Y377-T380 WeakPolarHBondContact O-CB 3.46Å; Y377-T380 PolarHBondContact O-N 3.25Å; Y377-T380 VanDerWaalsContact O-N 3.1Å; Y377-Y381 HydrophobicContact CD1-CD2 4.31Å; Y377-Y381 AromaticContact CD1-CE2 3.98Å; Y377-Y381 HydrophobicContact CD1-CE2 3.98Å; Y377-Y381 HydrophobicContact CE1-CD2 4.1Å; Y377-Y381 AromaticContact CE1-CE2 3.43Å; Y377-Y381 HydrophobicContact CE1-CE2 3.43Å; Y377-Y381 VanDerWaalsContact CE1-CE2 3.43Å; Y377-Y381 HydrophobicContact CE2-CE2 4.26Å; Y377-Y381 AromaticContact CZ-CE2 3.6Å; Y377-Y381 WeakPolarHBondContact O-CD2 3.46Å; Y377-Y381 PolarHBondContact OH-OH 3.49Å; Y377-F690 HydrophobicContact CE1-CZ 4.43Å
378F75.9Confident73.2Confident0 Ų059.6 Ų59.60%029%0.285CS..Hα-helixtrans-66.4-33.7179.5-70.8-61.5000113.3I371 L373 S374 T380 Y381 I382 L682 L687 F690 I697 L702 I707I371-F378 HydrophobicContact CG2-CE1 4.4Å; I371-F378 HydrophobicContact CG2-CZ 4.07Å; L373-F378 HydrophobicContact CD2-CE2 4.19Å; L373-F378 HydrophobicContact CD2-CZ 4.18Å; S374-F378 VanDerWaalsContact O-CD2 3.3Å; S374-F378 WeakPolarHBondContact O-CD2 3.24Å; S374-F378 PolarHBondContact O-N 3.29Å; F378-T380 PolarHBondContact O-N 3.01Å; F378-Y381 CarbonylContact O-C 3.59Å; F378-Y381 WeakPolarHBondContact O-CA 3.37Å; F378-Y381 WeakPolarHBondContact O-CB 3.43Å; F378-Y381 PolarHBondContact O-N 3.46Å; F378-I382 PolarHBondContact O-N 3.49Å; F378-L682 HydrophobicContact CZ-CD2 4.08Å; F378-L687 HydrophobicContact CZ-CD1 4.33Å; F378-F690 HydrophobicContact CD1-CD2 4.44Å; F378-F690 AromaticContact CD1-CE2 3.99Å; F378-F690 HydrophobicContact CD1-CE2 3.99Å; F378-F690 HydrophobicContact CD1-CZ 4.34Å; F378-F690 HydrophobicContact CE1-CD2 4.06Å; F378-F690 HydrophobicContact CE1-CE1 4.4Å; F378-F690 AromaticContact CE1-CE2 3.87Å; F378-F690 HydrophobicContact CE1-CE2 3.87Å; F378-F690 HydrophobicContact CE1-CG 4.43Å; F378-F690 HydrophobicContact CE1-CZ 4.04Å; F378-I697 HydrophobicContact CB-CD1 4.27Å; F378-I697 HydrophobicContact CB-CG2 4.45Å; F378-I697 HydrophobicContact CD1-CD1 3.42Å; F378-I697 VanDerWaalsContact CD1-CD1 3.42Å; F378-I697 HydrophobicContact CE1-CD1 4.14Å; F378-I697 HydrophobicContact CG-CD1 4.23Å; F378-L702 HydrophobicContact CB-CD1 4.02Å; F378-L702 HydrophobicContact CB-CD2 3.74Å; F378-L702 HydrophobicContact CD2-CD2 3.73Å; F378-L702 HydrophobicContact CE2-CD2 4.49Å; F378-L702 HydrophobicContact CG-CD2 3.79Å; F378-I707 HydrophobicContact CD2-CD1 4Å; F378-I707 HydrophobicContact CD2-CG2 4.28Å; F378-I707 HydrophobicContact CE2-CD1 3.63Å; F378-I707 HydrophobicContact CZ-CD1 4.46Å
379N73.4Confident72.5Confident58 Ų5859 Ų5931%0.3128%0.282SS..Hα-helixtrans-61.1-26.2173.7-77.8-16000112.5R375 T376 Y377 Y381 I382R375-N379 WeakPolarHBondContact O-CB 3.43Å; R375-N379 PolarHBondContact O-N 3.48Å; R375-N379 PolarHBondContact O-ND2 3.42Å; R375-N379 PolarHBondContact O-OD1 2.99Å; T376-N379 PolarHBondContact O-N 3.2Å; Y377-N379 VanDerWaalsContact C-N 3.34Å; Y377-N379 PolarHBondContact O-N 2.56Å; N379-Y381 PolarHBondContact O-N 2.78Å; N379-I382 WeakPolarHBondContact O-CB 3.47Å; N379-I382 PolarHBondContact O-N 3.26Å; N379-I382 WeakPolarHBondContact OD1-CD1 3.31Å
380T72Confident71.9Confident93 Ų9359 Ų5957%0.57129%0.287SS*.Hα-helixtrans-67.8-29.8174-53.10000111.6T376 Y377 F378T376-T380 PolarHBondContact O-N 3Å; T376-T380 PolarHBondContact O-OG1 2.93Å; T376-T380 VanDerWaalsContact O-OG1 3.11Å; Y377-T380 VanDerWaalsContact O-CB 3.29Å; Y377-T380 WeakPolarHBondContact O-CB 3.46Å; Y377-T380 PolarHBondContact O-N 3.25Å; Y377-T380 VanDerWaalsContact O-N 3.1Å; F378-T380 PolarHBondContact O-N 3.01Å
381Y66.6Low71.5Confident44 Ų4458.4 Ų58.417%0.17329%0.288CS..Hα-helixtrans-88.6-9.8173.6-64.6-80.2000113.2Y377 F378 N379 S383 V456 K457 F690Y377-Y381 HydrophobicContact CD1-CD2 4.31Å; Y377-Y381 AromaticContact CD1-CE2 3.98Å; Y377-Y381 HydrophobicContact CD1-CE2 3.98Å; Y377-Y381 HydrophobicContact CE1-CD2 4.1Å; Y377-Y381 AromaticContact CE1-CE2 3.43Å; Y377-Y381 HydrophobicContact CE1-CE2 3.43Å; Y377-Y381 VanDerWaalsContact CE1-CE2 3.43Å; Y377-Y381 HydrophobicContact CE2-CE2 4.26Å; Y377-Y381 AromaticContact CZ-CE2 3.6Å; Y377-Y381 WeakPolarHBondContact O-CD2 3.46Å; Y377-Y381 PolarHBondContact OH-OH 3.49Å; F378-Y381 CarbonylContact O-C 3.59Å; F378-Y381 WeakPolarHBondContact O-CA 3.37Å; F378-Y381 WeakPolarHBondContact O-CB 3.43Å; F378-Y381 PolarHBondContact O-N 3.46Å; N379-Y381 PolarHBondContact O-N 2.78Å; Y381-S383 PolarHBondContact O-N 3.32Å; Y381-V456 HydrophobicContact CE1-CG1 4.38Å; Y381-K457 HydrophobicContact CD1-CD 4.4Å; Y381-K457 HydrophobicContact CD1-CG 3.64Å; Y381-K457 HydrophobicContact CE1-CG 4.15Å; Y381-F690 HydrophobicContact CD2-CZ 4.25Å; Y381-F690 HydrophobicContact CE2-CZ 4.3Å; Y381-F690 HydrophobicContact CG-CE2 4.49Å; Y381-F690 HydrophobicContact CG-CZ 4.47Å
382I65.8Low71.2Confident20 Ų2063.5 Ų63.510%0.10332%0.324CS..SBendtrans-71.2120.6167.8-68.1-179.3000107.3F378 N379 K384 Y386 I697 K699 L702F378-I382 PolarHBondContact O-N 3.49Å; N379-I382 WeakPolarHBondContact O-CB 3.47Å; N379-I382 PolarHBondContact O-N 3.26Å; N379-I382 WeakPolarHBondContact OD1-CD1 3.31Å; I382-K384 PolarHBondContact O-N 3.45Å; I382-Y386 HydrophobicContact CG2-CD2 3.37Å; I382-Y386 HydrophobicContact CG2-CE2 4.28Å; I382-Y386 HydrophobicContact CG2-CG 3.75Å; I382-I697 HydrophobicContact CG1-CG2 4.48Å; I382-K699 HydrophobicContact CD1-CG 4.12Å; I382-L702 HydrophobicContact CD1-CD1 3.98Å
383S62.4Low71.2Confident25 Ų2569.2 Ų69.218%0.17535%0.348CS..  trans-49.5133.7174175.70000110.2Y381 F385 Y386Y381-S383 PolarHBondContact O-N 3.32Å; S383-F385 CarbonylContact O-C 3.6Å; S383-F385 PolarHBondContact O-N 2.81Å; S383-F385 PolarHBondContact OG-N 2.97Å; S383-Y386 WeakPolarHBondContact O-CA 3.41Å; S383-Y386 WeakPolarHBondContact O-CB 3.35Å; S383-Y386 PolarHBondContact O-N 3.31Å
384K63.8Low71Confident211 Ų21170.7 Ų70.792%0.91736%0.355SS*.THydrogen-bonded Turntrans-50.7-30.3172.6-75.9-174177.7179.20111.6I382 Y386I382-K384 PolarHBondContact O-N 3.45Å; K384-Y386 PolarHBondContact O-N 3.44Å
385F64.1Low70.8Confident134 Ų13473.7 Ų73.759%0.58837%0.368SS*.THydrogen-bonded Turntrans-88.739.1174.4-59.5-71.8000112.5S383 H387 I388 Y389S383-F385 CarbonylContact O-C 3.6Å; S383-F385 PolarHBondContact O-N 2.81Å; S383-F385 PolarHBondContact OG-N 2.97Å; F385-H387 VanDerWaalsContact C-N 3.25Å; F385-H387 PolarHBondContact O-N 3.09Å; F385-I388 HydrophobicContact CB-CB 4.27Å; F385-I388 HydrophobicContact CB-CD1 4.28Å; F385-I388 HydrophobicContact CD1-CD1 3.94Å; F385-I388 HydrophobicContact CG-CD1 4.44Å; F385-I388 PolarHBondContact O-N 2.89Å; F385-Y389 WeakPolarHBondContact O-CB 3.19Å; F385-Y389 PolarHBondContact O-N 2.96Å
386Y63.6Low70.9Confident30 Ų3077.3 Ų77.312%0.11839%0.391CS..Hα-helixtrans-51.7-42.5-176.1177.4-103.7000113I382 S383 K384 I388 Y389 T390 K699I382-Y386 HydrophobicContact CG2-CD2 3.37Å; I382-Y386 HydrophobicContact CG2-CE2 4.28Å; I382-Y386 HydrophobicContact CG2-CG 3.75Å; S383-Y386 WeakPolarHBondContact O-CA 3.41Å; S383-Y386 WeakPolarHBondContact O-CB 3.35Å; S383-Y386 PolarHBondContact O-N 3.31Å; K384-Y386 PolarHBondContact O-N 3.44Å; Y386-I388 PolarHBondContact O-N 3.49Å; Y386-Y389 PolarHBondContact O-N 3.19Å; Y386-T390 WeakPolarHBondContact CD2-OG1 3.37Å; Y386-T390 WeakPolarHBondContact CE1-OG1 3.4Å; Y386-T390 WeakPolarHBondContact CE2-OG1 3.5Å; Y386-T390 VanDerWaalsContact O-CB 3.29Å; Y386-T390 WeakPolarHBondContact O-CB 3.42Å; Y386-T390 PolarHBondContact O-N 3.38Å; Y386-T390 PolarHBondContact O-OG1 3.41Å; Y386-K699 HydrophobicContact CD1-CD 4.2Å; Y386-K699 HydrophobicContact CE1-CB 4.36Å; Y386-K699 HydrophobicContact CE1-CD 3.69Å; Y386-K699 HydrophobicContact CE1-CG 3.85Å; Y386-K699 HydrophobicContact CE2-CG 4.08Å; Y386-K699 WeakPolarHBondContact OH-CB 3.34Å; Y386-K699 PolarHBondContact OH-N 3.42Å
387H64.5Low71.3Confident158 Ų15877 Ų7773%0.73138%0.383SS*.Hα-helixtrans-64.4-40.2179.7-77.9-71.8000112.6F385 S391F385-H387 VanDerWaalsContact C-N 3.25Å; F385-H387 PolarHBondContact O-N 3.09Å; H387-S391 PolarHBondContact O-N 3.28Å
388I69.2Low71.4Confident98 Ų9874.9 Ų74.950%0.50338%0.375SS..Hα-helixtrans-68-46175.1-60.1177.1000108.9F385 Y386 T390 S391 F394F385-I388 HydrophobicContact CB-CB 4.27Å; F385-I388 HydrophobicContact CB-CD1 4.28Å; F385-I388 HydrophobicContact CD1-CD1 3.94Å; F385-I388 HydrophobicContact CG-CD1 4.44Å; F385-I388 PolarHBondContact O-N 2.89Å; Y386-I388 PolarHBondContact O-N 3.49Å; I388-T390 VanDerWaalsContact C-N 3.34Å; I388-T390 PolarHBondContact O-N 2.97Å; I388-S391 VanDerWaalsContact O-CB 3.26Å; I388-S391 WeakPolarHBondContact O-CB 3.33Å; I388-S391 PolarHBondContact O-N 3.12Å; I388-S391 VanDerWaalsContact O-N 3.16Å; I388-S391 PolarHBondContact O-OG 2.94Å; I388-F394 HydrophobicContact CG2-CD2 4.32Å; I388-F394 WeakPolarHBondContact O-CB 3.4Å
389Y64.9Low71.6Confident13 Ų1382.9 Ų82.95%0.05141%0.407CS..Hα-helixtrans-63.9-38.4-176.8-158.4-75.9000112.3F385 Y386 S391 F394 Q395 V398 L451 I452 I696F385-Y389 WeakPolarHBondContact O-CB 3.19Å; F385-Y389 PolarHBondContact O-N 2.96Å; Y386-Y389 PolarHBondContact O-N 3.19Å; Y389-S391 VanDerWaalsContact C-N 3.31Å; Y389-F394 HydrophobicContact CD1-CD1 4.3Å; Y389-F394 HydrophobicContact CD1-CE1 4.33Å; Y389-F394 AromaticContact CD2-CD1 3.86Å; Y389-F394 HydrophobicContact CD2-CD1 3.86Å; Y389-F394 AromaticContact CD2-CE1 3.23Å; Y389-F394 HydrophobicContact CD2-CE1 3.23Å; Y389-F394 AromaticContact CD2-CZ 3.97Å; Y389-F394 HydrophobicContact CD2-CZ 3.97Å; Y389-F394 HydrophobicContact CE1-CD1 4.5Å; Y389-F394 HydrophobicContact CE1-CE1 4.29Å; Y389-F394 HydrophobicContact CE2-CD1 4.18Å; Y389-F394 AromaticContact CE2-CE1 3.3Å; Y389-F394 HydrophobicContact CE2-CE1 3.3Å; Y389-F394 HydrophobicContact CE2-CZ 4.06Å; Y389-F394 AromaticContact CG-CD1 3.93Å; Y389-F394 HydrophobicContact CG-CD1 3.93Å; Y389-F394 AromaticContact CG-CE1 3.8Å; Y389-F394 HydrophobicContact CG-CE1 3.8Å; Y389-F394 AromaticContact CZ-CE1 3.84Å; Y389-Q395 WeakPolarHBondContact O-CG 3.4Å; Y389-Q395 PolarHBondContact O-NE2 2.95Å; Y389-V398 HydrophobicContact CE1-CG2 4.34Å; Y389-V398 HydrophobicContact CE2-CG2 4.37Å; Y389-L451 VanDerWaalsContact CE2-O 3.22Å; Y389-L451 WeakPolarHBondContact CE2-O 3.44Å; Y389-I452 PolarHBondContact OH-O 3.31Å; Y389-I696 HydrophobicContact CD1-CG2 3.86Å; Y389-I696 HydrophobicContact CE1-CB 4.08Å; Y389-I696 HydrophobicContact CE1-CD1 3.45Å; Y389-I696 VanDerWaalsContact CE1-CD1 3.45Å; Y389-I696 HydrophobicContact CE1-CG1 3.46Å; Y389-I696 VanDerWaalsContact CE1-CG1 3.46Å; Y389-I696 HydrophobicContact CE1-CG2 3.44Å; Y389-I696 VanDerWaalsContact CE1-CG2 3.44Å; Y389-I696 WeakPolarHBondContact OH-CD1 3.34Å; Y389-I696 VanDerWaalsContact OH-CG1 3.27Å; Y389-I696 WeakPolarHBondContact OH-CG1 3.26Å
390T66.5Low72.1Confident55 Ų5587 Ų8734%0.33742%0.419SS..Hα-helixtrans-81.6-10.5179.5-46.30000112.5Y386 I388 S392Y386-T390 WeakPolarHBondContact CD2-OG1 3.37Å; Y386-T390 WeakPolarHBondContact CE1-OG1 3.4Å; Y386-T390 WeakPolarHBondContact CE2-OG1 3.5Å; Y386-T390 VanDerWaalsContact O-CB 3.29Å; Y386-T390 WeakPolarHBondContact O-CB 3.42Å; Y386-T390 PolarHBondContact O-N 3.38Å; Y386-T390 PolarHBondContact O-OG1 3.41Å; I388-T390 VanDerWaalsContact C-N 3.34Å; I388-T390 PolarHBondContact O-N 2.97Å; T390-S392 PolarHBondContact O-N 3.31Å
391S75.6Confident72.5Confident45 Ų4583.9 Ų83.932%0.31540%0.398SS..SBendtrans-58.5137.817675.40000110.1H387 I388 Y389 K393 F394 Q395H387-S391 PolarHBondContact O-N 3.28Å; I388-S391 VanDerWaalsContact O-CB 3.26Å; I388-S391 WeakPolarHBondContact O-CB 3.33Å; I388-S391 PolarHBondContact O-N 3.12Å; I388-S391 VanDerWaalsContact O-N 3.16Å; I388-S391 PolarHBondContact O-OG 2.94Å; Y389-S391 VanDerWaalsContact C-N 3.31Å; S391-K393 PolarHBondContact O-N 3.49Å; S391-K393 VanDerWaalsContact O-N 3.1Å; S391-F394 PolarHBondContact O-N 3.26Å; S391-F394 VanDerWaalsContact OG-CB 3.29Å; S391-F394 WeakPolarHBondContact OG-CB 3.46Å; S391-F394 PolarHBondContact OG-N 3.11Å; S391-Q395 PolarHBondContact O-N 2.95Å
392S76.4Confident73.1Confident107 Ų10784.3 Ų84.375%0.74840%0.403SS*.Hα-helixtrans-55.3-33.6-178.7-51.40000112T390 L396T390-S392 PolarHBondContact O-N 3.31Å; S392-L396 WeakPolarHBondContact O-CB 3.47Å; S392-L396 PolarHBondContact O-N 2.87Å
393K81.6Confident73.9Confident182 Ų18286.9 Ų86.979%0.79142%0.415SS*.Hα-helixtrans-65.6-45176.5-63.5-173.8-179.6-178.50112.1S391 F397S391-K393 PolarHBondContact O-N 3.49Å; S391-K393 VanDerWaalsContact O-N 3.1Å; K393-F397 PolarHBondContact O-N 3.14Å
394F79.5Confident74.8Confident32 Ų3291.6 Ų91.614%0.1444%0.438CS..Hα-helixtrans-73.4-36.1179-166.7-87.4000112.1I388 Y389 S391 L396 F397 V398 L451I388-F394 HydrophobicContact CG2-CD2 4.32Å; I388-F394 WeakPolarHBondContact O-CB 3.4Å; Y389-F394 HydrophobicContact CD1-CD1 4.3Å; Y389-F394 HydrophobicContact CD1-CE1 4.33Å; Y389-F394 AromaticContact CD2-CD1 3.86Å; Y389-F394 HydrophobicContact CD2-CD1 3.86Å; Y389-F394 AromaticContact CD2-CE1 3.23Å; Y389-F394 HydrophobicContact CD2-CE1 3.23Å; Y389-F394 AromaticContact CD2-CZ 3.97Å; Y389-F394 HydrophobicContact CD2-CZ 3.97Å; Y389-F394 HydrophobicContact CE1-CD1 4.5Å; Y389-F394 HydrophobicContact CE1-CE1 4.29Å; Y389-F394 HydrophobicContact CE2-CD1 4.18Å; Y389-F394 AromaticContact CE2-CE1 3.3Å; Y389-F394 HydrophobicContact CE2-CE1 3.3Å; Y389-F394 HydrophobicContact CE2-CZ 4.06Å; Y389-F394 AromaticContact CG-CD1 3.93Å; Y389-F394 HydrophobicContact CG-CD1 3.93Å; Y389-F394 AromaticContact CG-CE1 3.8Å; Y389-F394 HydrophobicContact CG-CE1 3.8Å; Y389-F394 AromaticContact CZ-CE1 3.84Å; S391-F394 PolarHBondContact O-N 3.26Å; S391-F394 VanDerWaalsContact OG-CB 3.29Å; S391-F394 WeakPolarHBondContact OG-CB 3.46Å; S391-F394 PolarHBondContact OG-N 3.11Å; F394-L396 VanDerWaalsContact C-N 3.33Å; F394-L396 PolarHBondContact O-N 3.3Å; F394-F397 HydrophobicContact CD2-CD1 4.36Å; F394-F397 HydrophobicContact CE2-CD1 4.06Å; F394-F397 HydrophobicContact CE2-CE1 4.46Å; F394-F397 HydrophobicContact CZ-CD1 4.32Å; F394-F397 CarbonylContact O-C 3.59Å; F394-F397 WeakPolarHBondContact O-CA 3.41Å; F394-F397 VanDerWaalsContact O-CB 3.31Å; F394-F397 WeakPolarHBondContact O-CB 3.33Å; F394-F397 PolarHBondContact O-N 2.86Å; F394-F397 VanDerWaalsContact O-N 3.12Å; F394-V398 HydrophobicContact CD1-CG2 3.64Å; F394-V398 HydrophobicContact CE1-CG2 3.3Å; F394-V398 HydrophobicContact CZ-CG2 4.16Å; F394-V398 WeakPolarHBondContact O-CG2 3.37Å; F394-V398 PolarHBondContact O-N 2.74Å; F394-L451 HydrophobicContact CZ-CB 4.31Å
395Q73.1Confident75.9Confident63 Ų6386.6 Ų86.629%0.29442%0.42SS..Hα-helixtrans-63.2-40173.3-71.4-64.2-27.400112Y389 S391 F397 V398 Y399Y389-Q395 WeakPolarHBondContact O-CG 3.4Å; Y389-Q395 PolarHBondContact O-NE2 2.95Å; S391-Q395 PolarHBondContact O-N 2.95Å; Q395-F397 VanDerWaalsContact C-N 3.3Å; Q395-F397 PolarHBondContact O-N 2.84Å; Q395-V398 PolarHBondContact O-N 2.93Å; Q395-Y399 WeakPolarHBondContact O-CB 3.39Å; Q395-Y399 PolarHBondContact O-N 2.99Å
396L80.4Confident76.9Confident129 Ų12980.6 Ų80.668%0.67539%0.394SS*.Hα-helixtrans-61.3-41.2171.5-164.195.6000111.2S392 F394 Y399 Y400S392-L396 WeakPolarHBondContact O-CB 3.47Å; S392-L396 PolarHBondContact O-N 2.87Å; F394-L396 VanDerWaalsContact C-N 3.33Å; F394-L396 PolarHBondContact O-N 3.3Å; L396-Y399 PolarHBondContact O-N 2.81Å; L396-Y400 WeakPolarHBondContact O-CB 3.48Å; L396-Y400 PolarHBondContact O-N 3.2Å
397F83.3Confident77.8Confident72 Ų7284 Ų8432%0.31641%0.41SS..Hα-helixtrans-61.6-46.8174.8175.3-100.8000112.1K393 F394 Q395 Y399 Y400 M401 I448K393-F397 PolarHBondContact O-N 3.14Å; F394-F397 HydrophobicContact CD2-CD1 4.36Å; F394-F397 HydrophobicContact CE2-CD1 4.06Å; F394-F397 HydrophobicContact CE2-CE1 4.46Å; F394-F397 HydrophobicContact CZ-CD1 4.32Å; F394-F397 CarbonylContact O-C 3.59Å; F394-F397 WeakPolarHBondContact O-CA 3.41Å; F394-F397 VanDerWaalsContact O-CB 3.31Å; F394-F397 WeakPolarHBondContact O-CB 3.33Å; F394-F397 PolarHBondContact O-N 2.86Å; F394-F397 VanDerWaalsContact O-N 3.12Å; Q395-F397 VanDerWaalsContact C-N 3.3Å; Q395-F397 PolarHBondContact O-N 2.84Å; F397-Y399 VanDerWaalsContact C-N 3.34Å; F397-Y399 PolarHBondContact O-N 2.99Å; F397-Y400 PolarHBondContact O-N 3.1Å; F397-M401 HydrophobicContact CD1-CG 4.19Å; F397-M401 HydrophobicContact CD2-CG 4.18Å; F397-M401 HydrophobicContact CE1-CG 3.8Å; F397-M401 HydrophobicContact CE2-CE 4.15Å; F397-M401 HydrophobicContact CE2-CG 3.78Å; F397-M401 HydrophobicContact CE2-SD 4.03Å; F397-M401 HydrophobicContact CG-CG 4.37Å; F397-M401 HydrophobicContact CZ-CG 3.58Å; F397-M401 HydrophobicContact CZ-SD 3.94Å; F397-M401 WeakPolarHBondContact O-CB 3.46Å; F397-M401 VanDerWaalsContact O-CG 3.22Å; F397-M401 WeakPolarHBondContact O-CG 3.35Å; F397-M401 PolarHBondContact O-N 2.98Å; F397-I448 HydrophobicContact CE1-CG2 4.17Å; F397-I448 HydrophobicContact CZ-CD1 4.41Å; F397-I448 HydrophobicContact CZ-CG1 4.14Å; F397-I448 HydrophobicContact CZ-CG2 3.96Å
398V77.6Confident78.9Confident4 Ų481.2 Ų81.22%0.02440%0.4CS..Hα-helixtrans-61.9-43176.2175.60000111.2Y389 F394 Q395 Y400 M401 N402 I452 I696Y389-V398 HydrophobicContact CE1-CG2 4.34Å; Y389-V398 HydrophobicContact CE2-CG2 4.37Å; F394-V398 HydrophobicContact CD1-CG2 3.64Å; F394-V398 HydrophobicContact CE1-CG2 3.3Å; F394-V398 HydrophobicContact CZ-CG2 4.16Å; F394-V398 WeakPolarHBondContact O-CG2 3.37Å; F394-V398 PolarHBondContact O-N 2.74Å; Q395-V398 PolarHBondContact O-N 2.93Å; V398-Y400 VanDerWaalsContact C-N 3.35Å; V398-Y400 PolarHBondContact O-N 2.99Å; V398-M401 PolarHBondContact O-N 3.44Å; V398-N402 WeakPolarHBondContact O-CB 3.25Å; V398-N402 PolarHBondContact O-N 3.35Å; V398-I452 HydrophobicContact CG1-CG2 3.92Å; V398-I452 HydrophobicContact CG2-CG1 4.24Å; V398-I696 HydrophobicContact CG1-CD1 3.96Å
399Y79.1Confident79.9Confident168 Ų16881.3 Ų81.366%0.65940%0.399SS*.Hα-helixtrans-58.2-47.4176.1177.3-96.3000111.4Q395 L396 F397 M401 N402 H403Q395-Y399 WeakPolarHBondContact O-CB 3.39Å; Q395-Y399 PolarHBondContact O-N 2.99Å; L396-Y399 PolarHBondContact O-N 2.81Å; F397-Y399 VanDerWaalsContact C-N 3.34Å; F397-Y399 PolarHBondContact O-N 2.99Å; Y399-M401 PolarHBondContact O-N 3.07Å; Y399-N402 PolarHBondContact O-N 2.91Å; Y399-H403 PolarHBondContact O-N 2.8Å
400Y83.7Confident80.9Confident145 Ų14582 Ų8257%0.56940%0.402SS*.Hα-helixtrans-65.5-38.7177.6-172.2-100.2000112.1L396 F397 V398 H403 T406L396-Y400 WeakPolarHBondContact O-CB 3.48Å; L396-Y400 PolarHBondContact O-N 3.2Å; F397-Y400 PolarHBondContact O-N 3.1Å; V398-Y400 VanDerWaalsContact C-N 3.35Å; V398-Y400 PolarHBondContact O-N 2.99Å; Y400-H403 WeakPolarHBondContact O-CB 3.22Å; Y400-H403 PolarHBondContact O-N 3.23Å; Y400-T406 WeakPolarHBondContact O-CB 3.27Å; Y400-T406 PolarHBondContact O-OG1 3.18Å
401M81.8Confident81.8Confident27 Ų2780.7 Ų80.713%0.13340%0.395CS..Hα-helixtrans-70.7-35.5178.3-69.4-68.1105.100113.4F397 V398 Y399 H403 T406 I448 I452F397-M401 HydrophobicContact CD1-CG 4.19Å; F397-M401 HydrophobicContact CD2-CG 4.18Å; F397-M401 HydrophobicContact CE1-CG 3.8Å; F397-M401 HydrophobicContact CE2-CE 4.15Å; F397-M401 HydrophobicContact CE2-CG 3.78Å; F397-M401 HydrophobicContact CE2-SD 4.03Å; F397-M401 HydrophobicContact CG-CG 4.37Å; F397-M401 HydrophobicContact CZ-CG 3.58Å; F397-M401 HydrophobicContact CZ-SD 3.94Å; F397-M401 WeakPolarHBondContact O-CB 3.46Å; F397-M401 VanDerWaalsContact O-CG 3.22Å; F397-M401 WeakPolarHBondContact O-CG 3.35Å; F397-M401 PolarHBondContact O-N 2.98Å; V398-M401 PolarHBondContact O-N 3.44Å; Y399-M401 PolarHBondContact O-N 3.07Å; M401-H403 PolarHBondContact O-N 3.06Å; M401-T406 HydrophobicContact CE-CG2 3.82Å; M401-T406 WeakPolarHBondContact O-CB 3.48Å; M401-T406 HydrophobicContact SD-CG2 3.96Å; M401-I448 HydrophobicContact CB-CG2 4.46Å; M401-I448 HydrophobicContact CG-CG2 3.88Å; M401-I448 HydrophobicContact SD-CD1 4.43Å; M401-I448 HydrophobicContact SD-CG2 3.68Å; M401-I452 HydrophobicContact CB-CD1 3.32Å; M401-I452 HydrophobicContact CB-CG1 4.41Å; M401-I452 HydrophobicContact CG-CD1 3.9Å
402N77.7Confident82.5Confident52 Ų5283.4 Ų83.428%0.27841%0.405SS..Hα-helixtrans-76.4-9.6174.9-83.8-30.7000113.4V398 Y399V398-N402 WeakPolarHBondContact O-CB 3.25Å; V398-N402 PolarHBondContact O-N 3.35Å; Y399-N402 PolarHBondContact O-N 2.91Å
403H82.5Confident83.2Confident74 Ų7479.7 Ų79.734%0.34338%0.376SS..SBendtrans-60.9141.4178.6-163.3-102.4000111.3Y399 Y400 M401 I405 T406 K407Y399-H403 PolarHBondContact O-N 2.8Å; Y400-H403 WeakPolarHBondContact O-CB 3.22Å; Y400-H403 PolarHBondContact O-N 3.23Å; M401-H403 PolarHBondContact O-N 3.06Å; H403-I405 WeakPolarHBondContact CE1-CD1 3.41Å; H403-I405 VanDerWaalsContact CE1-CG1 3.47Å; H403-I405 WeakPolarHBondContact CE1-CG1 3.48Å; H403-I405 WeakPolarHBondContact ND1-CB 3.31Å; H403-I405 WeakPolarHBondContact ND1-CG1 3.46Å; H403-I405 PolarHBondContact ND1-N 3.23Å; H403-I405 PolarHBondContact O-N 2.88Å; H403-I405 VanDerWaalsContact O-N 3.15Å; H403-T406 PolarHBondContact O-N 3.45Å; H403-K407 PolarHBondContact O-N 3.26Å
404N83.1Confident83.6Confident124 Ų12471.1 Ų71.166%0.66334%0.339SS*.Hα-helixtrans-58-32.1-178.6-74.4-9.8000112.5K407 L408N404-K407 PolarHBondContact O-N 2.77Å; N404-L408 VanDerWaalsContact O-CB 3.29Å; N404-L408 WeakPolarHBondContact O-CB 3.35Å; N404-L408 PolarHBondContact O-N 2.9Å
405I86.7Confident84Confident107 Ų10772.7 Ų72.755%0.54935%0.351SS..Hα-helixtrans-64-40.7175.8-62.3173.3000111.2H403 L408 M409H403-I405 WeakPolarHBondContact CE1-CD1 3.41Å; H403-I405 VanDerWaalsContact CE1-CG1 3.47Å; H403-I405 WeakPolarHBondContact CE1-CG1 3.48Å; H403-I405 WeakPolarHBondContact ND1-CB 3.31Å; H403-I405 WeakPolarHBondContact ND1-CG1 3.46Å; H403-I405 PolarHBondContact ND1-N 3.23Å; H403-I405 PolarHBondContact O-N 2.88Å; H403-I405 VanDerWaalsContact O-N 3.15Å; I405-L408 CarbonylContact O-C 3.55Å; I405-L408 WeakPolarHBondContact O-CB 3.37Å; I405-L408 PolarHBondContact O-N 2.97Å; I405-M409 WeakPolarHBondContact O-CB 3.39Å; I405-M409 PolarHBondContact O-N 3.08Å
406T84.5Confident85Confident7 Ų771.1 Ų71.14%0.04335%0.349CS..Hα-helixtrans-68.4-42.1179.6-55.10000111Y400 M401 H403 L408 M409 F410Y400-T406 WeakPolarHBondContact O-CB 3.27Å; Y400-T406 PolarHBondContact O-OG1 3.18Å; M401-T406 HydrophobicContact CE-CG2 3.82Å; M401-T406 WeakPolarHBondContact O-CB 3.48Å; M401-T406 HydrophobicContact SD-CG2 3.96Å; H403-T406 PolarHBondContact O-N 3.45Å; T406-L408 VanDerWaalsContact C-N 3.32Å; T406-L408 PolarHBondContact O-N 3.24Å; T406-M409 WeakPolarHBondContact O-CB 3.41Å; T406-M409 PolarHBondContact O-N 3.49Å; T406-F410 HydrophobicContact CG2-CD2 3.92Å; T406-F410 HydrophobicContact CG2-CE2 3.52Å; T406-F410 HydrophobicContact CG2-CZ 4.47Å; T406-F410 WeakPolarHBondContact O-CD2 3.43Å; T406-F410 PolarHBondContact O-N 3.08Å
407K82.9Confident85.4Confident102 Ų10265.2 Ų65.244%0.44332%0.318SS..Hα-helixtrans-60-42.9171.7-66.6-179.4-179.3173.30111.6H403 N404 F410 T411H403-K407 PolarHBondContact O-N 3.26Å; N404-K407 PolarHBondContact O-N 2.77Å; K407-F410 PolarHBondContact O-N 3.47Å; K407-T411 PolarHBondContact O-N 3.37Å; K407-T411 PolarHBondContact O-OG1 3.26Å
408L87Confident85.7Confident100 Ų10063.1 Ų63.152%0.52431%0.314SS..Hα-helixtrans-62.7-42.2175.2-178.465.7000111.3N404 I405 T406 F410 T411 I412N404-L408 VanDerWaalsContact O-CB 3.29Å; N404-L408 WeakPolarHBondContact O-CB 3.35Å; N404-L408 PolarHBondContact O-N 2.9Å; I405-L408 CarbonylContact O-C 3.55Å; I405-L408 WeakPolarHBondContact O-CB 3.37Å; I405-L408 PolarHBondContact O-N 2.97Å; T406-L408 VanDerWaalsContact C-N 3.32Å; T406-L408 PolarHBondContact O-N 3.24Å; L408-F410 PolarHBondContact O-N 3.07Å; L408-T411 WeakPolarHBondContact O-CB 3.44Å; L408-T411 PolarHBondContact O-N 3.19Å; L408-T411 VanDerWaalsContact O-N 3.14Å; L408-I412 HydrophobicContact CD1-CD1 4.35Å; L408-I412 HydrophobicContact CD1-CG1 4.47Å; L408-I412 HydrophobicContact CG-CD1 3.92Å; L408-I412 HydrophobicContact CG-CG1 4.46Å; L408-I412 VanDerWaalsContact O-CG1 3.3Å; L408-I412 WeakPolarHBondContact O-CG1 3.44Å; L408-I412 PolarHBondContact O-N 2.95Å
409M89.1Confident86.3Confident100 Ų10067.1 Ų67.149%0.49333%0.334SS..Hα-helixtrans-59.7-46.4177.4-171.1-142.779.400111.4I405 T406 T411 I412 L413I405-M409 WeakPolarHBondContact O-CB 3.39Å; I405-M409 PolarHBondContact O-N 3.08Å; T406-M409 WeakPolarHBondContact O-CB 3.41Å; T406-M409 PolarHBondContact O-N 3.49Å; M409-T411 VanDerWaalsContact C-N 3.3Å; M409-T411 PolarHBondContact O-N 2.65Å; M409-I412 PolarHBondContact O-N 3.35Å; M409-L413 PolarHBondContact O-N 2.88Å
410F86.4Confident86.9Confident26 Ų2660.5 Ų60.511%0.11431%0.312CS..Hα-helixtrans-65.7-34.9175.3-71.9-59.1000112.3T406 K407 L408 L413 I414 E445T406-F410 HydrophobicContact CG2-CD2 3.92Å; T406-F410 HydrophobicContact CG2-CE2 3.52Å; T406-F410 HydrophobicContact CG2-CZ 4.47Å; T406-F410 WeakPolarHBondContact O-CD2 3.43Å; T406-F410 PolarHBondContact O-N 3.08Å; K407-F410 PolarHBondContact O-N 3.47Å; L408-F410 PolarHBondContact O-N 3.07Å; F410-L413 HydrophobicContact CD1-CD2 4.48Å; F410-L413 WeakPolarHBondContact O-CB 3.46Å; F410-L413 PolarHBondContact O-N 3.26Å; F410-I414 WeakPolarHBondContact O-CG1 3.4Å; F410-I414 PolarHBondContact O-N 3.44Å; F410-E445 HydrophobicContact CD1-CB 4.01Å; F410-E445 HydrophobicContact CD1-CG 3.64Å; F410-E445 HydrophobicContact CD2-CG 4.11Å; F410-E445 HydrophobicContact CE1-CB 3.67Å; F410-E445 HydrophobicContact CE1-CG 3.64Å; F410-E445 HydrophobicContact CE2-CG 4.08Å; F410-E445 HydrophobicContact CG-CG 3.9Å; F410-E445 HydrophobicContact CZ-CB 4.1Å; F410-E445 HydrophobicContact CZ-CG 3.87Å
411T86.5Confident87.1Confident29 Ų2954.8 Ų54.818%0.17829%0.293CS..Hα-helixtrans-63-46.4173.8-51.20000111.2K407 L408 M409 L413 I414 V415 L510 V513K407-T411 PolarHBondContact O-N 3.37Å; K407-T411 PolarHBondContact O-OG1 3.26Å; L408-T411 WeakPolarHBondContact O-CB 3.44Å; L408-T411 PolarHBondContact O-N 3.19Å; L408-T411 VanDerWaalsContact O-N 3.14Å; M409-T411 VanDerWaalsContact C-N 3.3Å; M409-T411 PolarHBondContact O-N 2.65Å; T411-L413 VanDerWaalsContact C-N 3.25Å; T411-L413 PolarHBondContact O-N 3.48Å; T411-I414 PolarHBondContact O-N 2.84Å; T411-V415 PolarHBondContact O-N 3.29Å; T411-V415 VanDerWaalsContact O-N 3.11Å; T411-L510 HydrophobicContact CG2-CD2 4.41Å; T411-V513 HydrophobicContact CG2-CG1 3.94Å; T411-V513 WeakPolarHBondContact OG1-CG1 3.25Å
412I90.5Very high87.4Confident101 Ų10158.9 Ų58.952%0.51832%0.319SS..Hα-helixtrans-60.7-38.2175.1-68.5165.1000110.1L408 M409 I414 V415 A416L408-I412 HydrophobicContact CD1-CD1 4.35Å; L408-I412 HydrophobicContact CD1-CG1 4.47Å; L408-I412 HydrophobicContact CG-CD1 3.92Å; L408-I412 HydrophobicContact CG-CG1 4.46Å; L408-I412 VanDerWaalsContact O-CG1 3.3Å; L408-I412 WeakPolarHBondContact O-CG1 3.44Å; L408-I412 PolarHBondContact O-N 2.95Å; M409-I412 PolarHBondContact O-N 3.35Å; I412-I414 VanDerWaalsContact C-N 3.34Å; I412-I414 PolarHBondContact O-N 2.9Å; I412-V415 PolarHBondContact O-N 3.08Å; I412-A416 VanDerWaalsContact O-CB 3.22Å; I412-A416 WeakPolarHBondContact O-CB 3.42Å; I412-A416 PolarHBondContact O-N 2.87Å
413L91.3Very high88Confident30 Ų3061.6 Ų61.616%0.15733%0.332CS..Hα-helixtrans-62.7-39.3176.4-169.175.5000112.4M409 F410 T411 A416 N417 F438 L441 F442M409-L413 PolarHBondContact O-N 2.88Å; F410-L413 HydrophobicContact CD1-CD2 4.48Å; F410-L413 WeakPolarHBondContact O-CB 3.46Å; F410-L413 PolarHBondContact O-N 3.26Å; T411-L413 VanDerWaalsContact C-N 3.25Å; T411-L413 PolarHBondContact O-N 3.48Å; L413-A416 PolarHBondContact O-N 2.84Å; L413-N417 WeakPolarHBondContact O-CB 3.38Å; L413-N417 PolarHBondContact O-N 2.62Å; L413-F438 HydrophobicContact CD1-CD1 3.87Å; L413-F438 HydrophobicContact CD1-CE1 3.5Å; L413-F438 VanDerWaalsContact CD1-CE1 3.5Å; L413-F438 HydrophobicContact CG-CD1 3.99Å; L413-F438 HydrophobicContact CG-CE1 3.91Å; L413-L441 HydrophobicContact CD1-CD1 3.75Å; L413-L441 HydrophobicContact CD2-CB 3.7Å; L413-L441 HydrophobicContact CD2-CD1 4.08Å; L413-L441 HydrophobicContact CD2-CG 4.46Å; L413-F442 HydrophobicContact CB-CE1 4.49Å; L413-F442 HydrophobicContact CD2-CD1 4.09Å; L413-F442 HydrophobicContact CD2-CE1 3.72Å; L413-F442 HydrophobicContact CD2-CZ 4.4Å; L413-F442 HydrophobicContact CG-CE1 4.02Å; L413-F442 HydrophobicContact CG-CZ 4.36Å
414I88.2Confident88.4Confident1 Ų161.1 Ų61.11%0.00533%0.329CS..Hα-helixtrans-64-45.6175.3-62.4161.2000110.5F410 T411 I412 N417 A418 F442 L507 K509 L510 V513F410-I414 WeakPolarHBondContact O-CG1 3.4Å; F410-I414 PolarHBondContact O-N 3.44Å; T411-I414 PolarHBondContact O-N 2.84Å; I412-I414 VanDerWaalsContact C-N 3.34Å; I412-I414 PolarHBondContact O-N 2.9Å; I414-N417 WeakPolarHBondContact O-CB 3.47Å; I414-N417 PolarHBondContact O-N 2.87Å; I414-A418 PolarHBondContact O-N 2.89Å; I414-A418 VanDerWaalsContact O-N 3.16Å; I414-F442 HydrophobicContact CG1-CE1 3.79Å; I414-F442 HydrophobicContact CG1-CZ 4.21Å; I414-L507 HydrophobicContact CG2-CD2 4.5Å; I414-K509 HydrophobicContact CD1-CB 3.76Å; I414-K509 HydrophobicContact CD1-CD 4.46Å; I414-K509 HydrophobicContact CG1-CB 4.48Å; I414-L510 HydrophobicContact CB-CD2 4.4Å; I414-L510 HydrophobicContact CG2-CD1 4.36Å; I414-L510 HydrophobicContact CG2-CD2 3.99Å; I414-L510 HydrophobicContact CG2-CG 3.75Å; I414-V513 HydrophobicContact CD1-CG2 4.25Å
415V89.6Confident88.5Confident65 Ų6561.7 Ų61.739%0.39433%0.328SS..Hα-helixtrans-65.5-41.7177.4178.10000111.1T411 I412 N417 A418 I419 L510T411-V415 PolarHBondContact O-N 3.29Å; T411-V415 VanDerWaalsContact O-N 3.11Å; I412-V415 PolarHBondContact O-N 3.08Å; V415-N417 VanDerWaalsContact C-N 3.34Å; V415-N417 PolarHBondContact O-N 3.42Å; V415-A418 VanDerWaalsContact O-CB 3.31Å; V415-A418 WeakPolarHBondContact O-CB 3.39Å; V415-A418 PolarHBondContact O-N 3.35Å; V415-A418 VanDerWaalsContact O-N 3.14Å; V415-I419 HydrophobicContact CG1-CD1 3.89Å; V415-I419 HydrophobicContact CG1-CG1 4.47Å; V415-I419 WeakPolarHBondContact O-CG1 3.08Å; V415-I419 PolarHBondContact O-N 3.38Å; V415-L510 HydrophobicContact CG2-CD2 4.05Å
416A92.4Very high88.6Confident31 Ų3161.1 Ų61.126%0.25633%0.333SS..Hα-helixtrans-61.6-42176.500000111.4I412 L413 A418 I419 C420 F438I412-A416 VanDerWaalsContact O-CB 3.22Å; I412-A416 WeakPolarHBondContact O-CB 3.42Å; I412-A416 PolarHBondContact O-N 2.87Å; L413-A416 PolarHBondContact O-N 2.84Å; A416-A418 VanDerWaalsContact C-N 3.31Å; A416-A418 PolarHBondContact O-N 2.85Å; A416-I419 PolarHBondContact O-N 3.15Å; A416-C420 WeakPolarHBondContact O-CB 3.21Å; A416-C420 PolarHBondContact O-N 3.32Å; A416-C420 PolarHBondContact O-SG 3.48Å; A416-F438 HydrophobicContact CB-CE1 4.34Å; A416-F438 HydrophobicContact CB-CZ 4.2Å
417N90.2Very high88.9Confident5 Ų567.9 Ų67.93%0.02736%0.359CS..Hα-helixtrans-57.4-44.8173179.957.6000111.4L413 I414 V415 I419 C420 V421 F438 F442L413-N417 WeakPolarHBondContact O-CB 3.38Å; L413-N417 PolarHBondContact O-N 2.62Å; I414-N417 WeakPolarHBondContact O-CB 3.47Å; I414-N417 PolarHBondContact O-N 2.87Å; V415-N417 VanDerWaalsContact C-N 3.34Å; V415-N417 PolarHBondContact O-N 3.42Å; N417-I419 PolarHBondContact O-N 2.69Å; N417-C420 PolarHBondContact O-N 3.13Å; N417-V421 VanDerWaalsContact O-CG2 3.3Å; N417-V421 WeakPolarHBondContact O-CG2 3.32Å; N417-V421 PolarHBondContact O-N 3.44Å; N417-F438 HydrophobicContact CB-CD1 3.71Å; N417-F438 HydrophobicContact CB-CD2 4.12Å; N417-F438 HydrophobicContact CB-CE1 3.79Å; N417-F438 HydrophobicContact CB-CE2 4.21Å; N417-F438 HydrophobicContact CB-CG 3.88Å; N417-F438 HydrophobicContact CB-CZ 4.06Å; N417-F438 VanDerWaalsContact OD1-CD2 3.3Å; N417-F438 WeakPolarHBondContact OD1-CD2 3.36Å; N417-F438 WeakPolarHBondContact OD1-CG 3.48Å; N417-F442 HydrophobicContact CB-CE2 4.2Å; N417-F442 HydrophobicContact CB-CZ 4Å
418A88.8Confident88.9Confident27 Ų2767.4 Ų67.422%0.22337%0.366CS..Hα-helixtrans-59-48.2176.500000111.9I414 V415 A416 V421 V422 L507I414-A418 PolarHBondContact O-N 2.89Å; I414-A418 VanDerWaalsContact O-N 3.16Å; V415-A418 VanDerWaalsContact O-CB 3.31Å; V415-A418 WeakPolarHBondContact O-CB 3.39Å; V415-A418 PolarHBondContact O-N 3.35Å; V415-A418 VanDerWaalsContact O-N 3.14Å; A416-A418 VanDerWaalsContact C-N 3.31Å; A416-A418 PolarHBondContact O-N 2.85Å; A418-V421 PolarHBondContact O-N 2.94Å; A418-V422 WeakPolarHBondContact O-CG2 3.23Å; A418-V422 PolarHBondContact O-N 2.75Å; A418-L507 HydrophobicContact CB-CD1 4.05Å; A418-L507 HydrophobicContact CB-CD2 3.49Å; A418-L507 VanDerWaalsContact CB-CD2 3.49Å; A418-L507 HydrophobicContact CB-CG 4.42Å
419I91.1Very high88.9Confident89 Ų8970.3 Ų70.346%0.45638%0.377SS..Hα-helixtrans-64.2-43.9-179.7-66.5168.7000110.6V415 A416 N417 V421 V422 I423V415-I419 HydrophobicContact CG1-CD1 3.89Å; V415-I419 HydrophobicContact CG1-CG1 4.47Å; V415-I419 WeakPolarHBondContact O-CG1 3.08Å; V415-I419 PolarHBondContact O-N 3.38Å; A416-I419 PolarHBondContact O-N 3.15Å; N417-I419 PolarHBondContact O-N 2.69Å; I419-V421 PolarHBondContact O-N 3.33Å; I419-V422 PolarHBondContact O-N 2.9Å; I419-I423 HydrophobicContact CG2-CD1 3.49Å; I419-I423 VanDerWaalsContact CG2-CD1 3.49Å; I419-I423 HydrophobicContact CG2-CG1 4.14Å; I419-I423 WeakPolarHBondContact O-CG1 3.39Å; I419-I423 PolarHBondContact O-N 3.27Å
420C91Very high88.9Confident28 Ų2868.3 Ų68.319%0.18937%0.372CS..Hα-helixtrans-61.1-42.1177.6-740000112.2A416 N417 V422 I423 F424 I434 F438A416-C420 WeakPolarHBondContact O-CB 3.21Å; A416-C420 PolarHBondContact O-N 3.32Å; A416-C420 PolarHBondContact O-SG 3.48Å; N417-C420 PolarHBondContact O-N 3.13Å; C420-V422 VanDerWaalsContact C-N 3.26Å; C420-V422 PolarHBondContact O-N 3.08Å; C420-I423 PolarHBondContact O-N 2.87Å; C420-F424 HydrophobicContact CB-CD2 4.23Å; C420-F424 WeakPolarHBondContact O-CB 3.13Å; C420-F424 WeakPolarHBondContact O-CD2 3.25Å; C420-F424 PolarHBondContact O-N 3.4Å; C420-I434 HydrophobicContact CB-CG2 3.99Å; C420-F438 HydrophobicContact CB-CE2 3.88Å; C420-F438 HydrophobicContact CB-CZ 4.47Å
421V87.1Confident89Confident26 Ų2668 Ų6816%0.15837%0.371CS..Hα-helixtrans-58.7-40.4176.5169.20000111.3N417 A418 I419 H425 L431 L504N417-V421 VanDerWaalsContact O-CG2 3.3Å; N417-V421 WeakPolarHBondContact O-CG2 3.32Å; N417-V421 PolarHBondContact O-N 3.44Å; A418-V421 PolarHBondContact O-N 2.94Å; I419-V421 PolarHBondContact O-N 3.33Å; V421-H425 PolarHBondContact O-N 3.37Å; V421-L431 HydrophobicContact CG2-CD1 4.29Å; V421-L504 HydrophobicContact CG1-CD2 3.91Å
422V88.4Confident88.9Confident113 Ų11370.8 Ų70.869%0.68538%0.383SS*.Hα-helixtrans-70.2-49177.5179.20000111.3A418 I419 C420 H425A418-V422 WeakPolarHBondContact O-CG2 3.23Å; A418-V422 PolarHBondContact O-N 2.75Å; I419-V422 PolarHBondContact O-N 2.9Å; C420-V422 VanDerWaalsContact C-N 3.26Å; C420-V422 PolarHBondContact O-N 3.08Å; V422-H425 WeakPolarHBondContact O-CB 3.28Å; V422-H425 PolarHBondContact O-N 2.88Å
423I91.4Very high88.9Confident108 Ų10871.2 Ų71.255%0.55439%0.385SS*.Hα-helixtrans-65.6-44.3-175.9-68.2175.8000111.7I419 C420 H425I419-I423 HydrophobicContact CG2-CD1 3.49Å; I419-I423 VanDerWaalsContact CG2-CD1 3.49Å; I419-I423 HydrophobicContact CG2-CG1 4.14Å; I419-I423 WeakPolarHBondContact O-CG1 3.39Å; I419-I423 PolarHBondContact O-N 3.27Å; C420-I423 PolarHBondContact O-N 2.87Å; I423-H425 VanDerWaalsContact C-N 3.3Å; I423-H425 PolarHBondContact O-N 2.97Å
424F89.8Confident88.8Confident64 Ų6471.3 Ų71.328%0.28139%0.385SS..G310 helixtrans-89.78.2-176.7-67.1-78.2000113.2C420 S426 Y427 C430 L431 I434C420-F424 HydrophobicContact CB-CD2 4.23Å; C420-F424 WeakPolarHBondContact O-CB 3.13Å; C420-F424 WeakPolarHBondContact O-CD2 3.25Å; C420-F424 PolarHBondContact O-N 3.4Å; F424-S426 PolarHBondContact O-N 2.74Å; F424-S426 VanDerWaalsContact O-N 3.17Å; F424-Y427 CarbonylContact O-C 3.53Å; F424-Y427 PolarHBondContact O-N 3.32Å; F424-C430 HydrophobicContact CD1-CB 4.02Å; F424-L431 HydrophobicContact CB-CB 4.19Å; F424-L431 HydrophobicContact CB-CD1 4.23Å; F424-I434 HydrophobicContact CB-CD1 4.49Å; F424-I434 HydrophobicContact CD1-CD1 4.02Å; F424-I434 HydrophobicContact CD2-CD1 3.37Å; F424-I434 HydrophobicContact CE1-CD1 4.04Å; F424-I434 HydrophobicContact CE2-CD1 3.4Å; F424-I434 VanDerWaalsContact CE2-CD1 3.4Å; F424-I434 HydrophobicContact CG-CD1 3.7Å; F424-I434 HydrophobicContact CZ-CD1 3.74Å
425H85.7Confident88.8Confident137 Ų13771.6 Ų71.663%0.63439%0.387SS*.G310 helixtrans-53.3-38.6178.4-175.765000112.6V421 V422 I423 Y427V421-H425 PolarHBondContact O-N 3.37Å; V422-H425 WeakPolarHBondContact O-CB 3.28Å; V422-H425 PolarHBondContact O-N 2.88Å; I423-H425 VanDerWaalsContact C-N 3.3Å; I423-H425 PolarHBondContact O-N 2.97Å; H425-Y427 VanDerWaalsContact C-N 3.28Å; H425-Y427 PolarHBondContact O-N 2.89Å
426S88.8Confident88.8Confident95 Ų9571.6 Ų71.666%0.66438%0.38SS*.G310 helixtrans-75.9-9.9178.1-54.60000114.5F424 P428F424-S426 PolarHBondContact O-N 2.74Å; F424-S426 VanDerWaalsContact O-N 3.17Å; S426-P428 WeakPolarHBondContact O-CD 3.49Å
427Y90Very high88.8Confident149 Ų14974.6 Ų74.658%0.58439%0.39SS*.  trans-123.176.5-175.6-59.6-77.9000110.4F424 H425 Q429 C430 L431F424-Y427 CarbonylContact O-C 3.53Å; F424-Y427 PolarHBondContact O-N 3.32Å; H425-Y427 VanDerWaalsContact C-N 3.28Å; H425-Y427 PolarHBondContact O-N 2.89Å; Y427-Q429 VanDerWaalsContact C-N 3.28Å; Y427-Q429 PolarHBondContact O-N 3.38Å; Y427-C430 PolarHBondContact O-N 2.83Å; Y427-C430 VanDerWaalsContact O-N 3.1Å; Y427-L431 PolarHBondContact O-N 3.45Å
428P84.3Confident88.9Confident92 Ų9275.1 Ų75.160%0.59739%0.392SS*.Hα-helixtrans-60.4-34.4-168.522.6-33.9000113.6S426 L431 E432S426-P428 WeakPolarHBondContact O-CD 3.49Å; P428-L431 PolarHBondContact O-N 2.94Å; P428-E432 PolarHBondContact O-N 3.47Å
429Q85.8Confident89Confident160 Ų16073.9 Ų73.975%0.74838%0.382SS*.Hα-helixtrans-65.8-44177.8-66.2177.6-13.700112Y427 I433Y427-Q429 VanDerWaalsContact C-N 3.28Å; Y427-Q429 PolarHBondContact O-N 3.38Å; Q429-I433 WeakPolarHBondContact O-CG1 3.46Å; Q429-I433 PolarHBondContact O-N 2.97Å
430C89.6Confident89Confident58 Ų5874 Ų7439%0.39238%0.382SS..Hα-helixtrans-68.3-40.1177-61.30000111.1F424 Y427 E432 I433 I434F424-C430 HydrophobicContact CD1-CB 4.02Å; Y427-C430 PolarHBondContact O-N 2.83Å; Y427-C430 VanDerWaalsContact O-N 3.1Å; C430-E432 VanDerWaalsContact C-N 3.32Å; C430-E432 PolarHBondContact O-N 3.21Å; C430-I433 PolarHBondContact O-N 2.82Å; C430-I434 VanDerWaalsContact O-CG1 3.3Å; C430-I434 WeakPolarHBondContact O-CG1 3.45Å; C430-I434 PolarHBondContact O-N 2.68Å
431L88.1Confident89.1Confident19 Ų1976 Ų7610%0.09939%0.39CS..Hα-helixtrans-58.6-44.4177.9-179.562000111.3V421 F424 Y427 P428 I433 I434 E435V421-L431 HydrophobicContact CG2-CD1 4.29Å; F424-L431 HydrophobicContact CB-CB 4.19Å; F424-L431 HydrophobicContact CB-CD1 4.23Å; Y427-L431 PolarHBondContact O-N 3.45Å; P428-L431 PolarHBondContact O-N 2.94Å; L431-I433 VanDerWaalsContact C-N 3.35Å; L431-I433 PolarHBondContact O-N 2.96Å; L431-I434 PolarHBondContact O-N 3.47Å; L431-E435 HydrophobicContact CD1-CG 4Å; L431-E435 HydrophobicContact CG-CG 4.23Å; L431-E435 WeakPolarHBondContact O-CB 3.27Å; L431-E435 VanDerWaalsContact O-CG 3.26Å; L431-E435 WeakPolarHBondContact O-CG 3.44Å; L431-E435 PolarHBondContact O-N 3.42Å
432E85Confident89.3Confident88 Ų8874.7 Ų74.741%0.41138%0.382SS..Hα-helixtrans-60.1-43.2179.4-174.3170.2-164.500112.4P428 C430 E435 W436P428-E432 PolarHBondContact O-N 3.47Å; C430-E432 VanDerWaalsContact C-N 3.32Å; C430-E432 PolarHBondContact O-N 3.21Å; E432-E435 PolarHBondContact O-N 3.47Å; E432-W436 VanDerWaalsContact O-CD1 3.32Å; E432-W436 PolarHBondContact O-N 3.48Å
433I90.2Very high89.5Confident111 Ų11171 Ų7157%0.56936%0.358SS*.Hα-helixtrans-64.1-47.6177.5-60.1172.9000110.4Q429 C430 L431 E435 W436 I437Q429-I433 WeakPolarHBondContact O-CG1 3.46Å; Q429-I433 PolarHBondContact O-N 2.97Å; C430-I433 PolarHBondContact O-N 2.82Å; L431-I433 VanDerWaalsContact C-N 3.35Å; L431-I433 PolarHBondContact O-N 2.96Å; I433-E435 VanDerWaalsContact C-N 3.33Å; I433-E435 PolarHBondContact O-N 3.2Å; I433-W436 PolarHBondContact O-N 2.96Å; I433-I437 HydrophobicContact CG2-CD1 4.11Å; I433-I437 WeakPolarHBondContact O-CG1 3.28Å; I433-I437 PolarHBondContact O-N 3.33Å
434I90.3Very high89.5Confident32 Ų3268.2 Ų68.216%0.16435%0.348CS..Hα-helixtrans-62.1-42.7-179.9-70.8169.8000110.7C420 F424 C430 L431 W436 I437 F438C420-I434 HydrophobicContact CB-CG2 3.99Å; F424-I434 HydrophobicContact CB-CD1 4.49Å; F424-I434 HydrophobicContact CD1-CD1 4.02Å; F424-I434 HydrophobicContact CD2-CD1 3.37Å; F424-I434 HydrophobicContact CE1-CD1 4.04Å; F424-I434 HydrophobicContact CE2-CD1 3.4Å; F424-I434 VanDerWaalsContact CE2-CD1 3.4Å; F424-I434 HydrophobicContact CG-CD1 3.7Å; F424-I434 HydrophobicContact CZ-CD1 3.74Å; C430-I434 VanDerWaalsContact O-CG1 3.3Å; C430-I434 WeakPolarHBondContact O-CG1 3.45Å; C430-I434 PolarHBondContact O-N 2.68Å; L431-I434 PolarHBondContact O-N 3.47Å; I434-W436 PolarHBondContact O-N 3.39Å; I434-I437 WeakPolarHBondContact O-CB 3.37Å; I434-I437 PolarHBondContact O-N 2.9Å; I434-F438 HydrophobicContact CG2-CD2 3.54Å; I434-F438 HydrophobicContact CG2-CE2 3.42Å; I434-F438 VanDerWaalsContact CG2-CE2 3.42Å; I434-F438 VanDerWaalsContact O-CD2 3.26Å; I434-F438 WeakPolarHBondContact O-CD2 3.33Å; I434-F438 PolarHBondContact O-N 3.49Å
435E87.7Confident89.5Confident7 Ų765.8 Ų65.83%0.03334%0.338CS..Hα-helixtrans-63.5-39.5177.9-77.2-177.2175.200112.4L431 E432 I433 I437 F438 T439 R503L431-E435 HydrophobicContact CD1-CG 4Å; L431-E435 HydrophobicContact CG-CG 4.23Å; L431-E435 WeakPolarHBondContact O-CB 3.27Å; L431-E435 VanDerWaalsContact O-CG 3.26Å; L431-E435 WeakPolarHBondContact O-CG 3.44Å; L431-E435 PolarHBondContact O-N 3.42Å; E432-E435 PolarHBondContact O-N 3.47Å; I433-E435 VanDerWaalsContact C-N 3.33Å; I433-E435 PolarHBondContact O-N 3.2Å; E435-I437 VanDerWaalsContact C-N 3.34Å; E435-F438 PolarHBondContact O-N 2.87Å; E435-T439 WeakPolarHBondContact O-CB 3.14Å; E435-T439 PolarHBondContact O-N 3.5Å; E435-T439 PolarHBondContact O-OG1 3.02Å; E435-R503 VanDerWaalsContact OE2-CD 3.31Å; E435-R503 WeakPolarHBondContact OE2-CD 3.13Å; E435-R503 IonicContact OE2-CZ 3.13Å; E435-R503 IonicContact OE2-NE 3.96Å; E435-R503 IonicContact OE2-NH1 2.7Å; E435-R503 PolarHBondContact OE2-NH1 2.85Å
436W89.6Confident89.7Confident65 Ų6560 Ų6025%0.24631%0.312CS..Hα-helixtrans-62.1-42.4172.8-91.8106.8000111.7E432 I433 I434 T439 M440 F475 Q478 I479 L482E432-W436 VanDerWaalsContact O-CD1 3.32Å; E432-W436 PolarHBondContact O-N 3.48Å; I433-W436 PolarHBondContact O-N 2.96Å; I434-W436 PolarHBondContact O-N 3.39Å; W436-T439 PolarHBondContact O-N 3.44Å; W436-M440 HydrophobicContact CE3-CE 3.62Å; W436-M440 HydrophobicContact CZ3-CE 3.46Å; W436-M440 VanDerWaalsContact CZ3-CE 3.46Å; W436-M440 WeakPolarHBondContact O-CG 3.3Å; W436-M440 PolarHBondContact O-N 3.42Å; W436-F475 HydrophobicContact CH2-CE2 4.5Å; W436-F475 HydrophobicContact CZ3-CD2 4.48Å; W436-F475 HydrophobicContact CZ3-CE2 4.04Å; W436-Q478 HydrophobicContact CZ2-CB 4.25Å; W436-I479 HydrophobicContact CH2-CG1 4.32Å; W436-L482 HydrophobicContact CZ2-CD2 4.19Å
437I92.6Very high89.8Confident93 Ų9359.9 Ų59.948%0.47730%0.303SS..Hα-helixtrans-59.2-50.9175.7-66.9166.2000109.9I433 I434 E435 T439 M440 L441I433-I437 HydrophobicContact CG2-CD1 4.11Å; I433-I437 WeakPolarHBondContact O-CG1 3.28Å; I433-I437 PolarHBondContact O-N 3.33Å; I434-I437 WeakPolarHBondContact O-CB 3.37Å; I434-I437 PolarHBondContact O-N 2.9Å; E435-I437 VanDerWaalsContact C-N 3.34Å; I437-T439 PolarHBondContact O-N 3.37Å; I437-M440 PolarHBondContact O-N 3.33Å; I437-L441 HydrophobicContact CG2-CD1 4.03Å; I437-L441 WeakPolarHBondContact O-CG 3.33Å; I437-L441 PolarHBondContact O-N 3.01Å
438F91.8Very high89.6Confident17 Ų1754.5 Ų54.58%0.07528%0.283CS..Hα-helixtrans-62.8-40.3177.6-80.5-67.4000112.6L413 A416 N417 C420 I434 E435 M440 L441 F442L413-F438 HydrophobicContact CD1-CD1 3.87Å; L413-F438 HydrophobicContact CD1-CE1 3.5Å; L413-F438 VanDerWaalsContact CD1-CE1 3.5Å; L413-F438 HydrophobicContact CG-CD1 3.99Å; L413-F438 HydrophobicContact CG-CE1 3.91Å; A416-F438 HydrophobicContact CB-CE1 4.34Å; A416-F438 HydrophobicContact CB-CZ 4.2Å; N417-F438 HydrophobicContact CB-CD1 3.71Å; N417-F438 HydrophobicContact CB-CD2 4.12Å; N417-F438 HydrophobicContact CB-CE1 3.79Å; N417-F438 HydrophobicContact CB-CE2 4.21Å; N417-F438 HydrophobicContact CB-CG 3.88Å; N417-F438 HydrophobicContact CB-CZ 4.06Å; N417-F438 VanDerWaalsContact OD1-CD2 3.3Å; N417-F438 WeakPolarHBondContact OD1-CD2 3.36Å; N417-F438 WeakPolarHBondContact OD1-CG 3.48Å; C420-F438 HydrophobicContact CB-CE2 3.88Å; C420-F438 HydrophobicContact CB-CZ 4.47Å; I434-F438 HydrophobicContact CG2-CD2 3.54Å; I434-F438 HydrophobicContact CG2-CE2 3.42Å; I434-F438 VanDerWaalsContact CG2-CE2 3.42Å; I434-F438 VanDerWaalsContact O-CD2 3.26Å; I434-F438 WeakPolarHBondContact O-CD2 3.33Å; I434-F438 PolarHBondContact O-N 3.49Å; E435-F438 PolarHBondContact O-N 2.87Å; F438-M440 VanDerWaalsContact C-N 3.32Å; F438-M440 PolarHBondContact O-N 3.15Å; F438-L441 HydrophobicContact CD1-CD1 4.49Å; F438-L441 PolarHBondContact O-N 3.24Å; F438-F442 HydrophobicContact CB-CD2 4.39Å; F438-F442 HydrophobicContact CB-CE2 3.96Å; F438-F442 HydrophobicContact CD1-CE2 4.36Å; F438-F442 HydrophobicContact CD1-CZ 4.24Å; F438-F442 WeakPolarHBondContact O-CD2 3.39Å; F438-F442 WeakPolarHBondContact O-CG 3.33Å; F438-F442 PolarHBondContact O-N 2.93Å
439T89.9Confident89.6Confident1 Ų152.1 Ų52.11%0.00627%0.266CS..Hα-helixtrans-57.8-47.1175.1-58.60000111.1E435 W436 I437 L441 F442 I443 F475 Q478 R506E435-T439 WeakPolarHBondContact O-CB 3.14Å; E435-T439 PolarHBondContact O-N 3.5Å; E435-T439 PolarHBondContact O-OG1 3.02Å; W436-T439 PolarHBondContact O-N 3.44Å; I437-T439 PolarHBondContact O-N 3.37Å; T439-L441 VanDerWaalsContact C-N 3.33Å; T439-L441 PolarHBondContact O-N 2.98Å; T439-F442 PolarHBondContact O-N 3.23Å; T439-I443 HydrophobicContact CG2-CD1 3.75Å; T439-I443 HydrophobicContact CG2-CG1 4.33Å; T439-I443 VanDerWaalsContact O-CG1 3.31Å; T439-I443 WeakPolarHBondContact O-CG1 3.46Å; T439-I443 PolarHBondContact O-N 3.37Å; T439-F475 HydrophobicContact CG2-CB 4.21Å; T439-F475 HydrophobicContact CG2-CD2 3.77Å; T439-F475 HydrophobicContact CG2-CG 4.43Å; T439-Q478 VanDerWaalsContact OG1-CD 3.27Å; T439-Q478 PolarHBondContact OG1-NE2 3.36Å; T439-Q478 VanDerWaalsContact OG1-NE2 3.11Å; T439-Q478 PolarHBondContact OG1-OE1 3.17Å; T439-R506 PolarHBondContact OG1-NH1 3.47Å; T439-R506 PolarHBondContact OG1-NH2 3.38Å
440M92.2Very high89.6Confident92 Ų9249.1 Ų49.145%0.45325%0.248SC..Hα-helixtrans-64.4-39.9179.5-70.5-62.3164.400111.8W436 I437 F438 I443 S444 F475W436-M440 HydrophobicContact CE3-CE 3.62Å; W436-M440 HydrophobicContact CZ3-CE 3.46Å; W436-M440 VanDerWaalsContact CZ3-CE 3.46Å; W436-M440 WeakPolarHBondContact O-CG 3.3Å; W436-M440 PolarHBondContact O-N 3.42Å; I437-M440 PolarHBondContact O-N 3.33Å; F438-M440 VanDerWaalsContact C-N 3.32Å; F438-M440 PolarHBondContact O-N 3.15Å; M440-I443 PolarHBondContact O-N 3.45Å; M440-S444 WeakPolarHBondContact O-CB 3.43Å; M440-S444 PolarHBondContact O-N 3.46Å; M440-F475 HydrophobicContact CE-CE2 4.09Å
441L93.1Very high89.2Confident68 Ų6849.7 Ų49.736%0.35625%0.247SC..Hα-helixtrans-62.1-44.6174.6-68.3171.1000111.6L413 I437 F438 T439 S444 E445L413-L441 HydrophobicContact CD1-CD1 3.75Å; L413-L441 HydrophobicContact CD2-CB 3.7Å; L413-L441 HydrophobicContact CD2-CD1 4.08Å; L413-L441 HydrophobicContact CD2-CG 4.46Å; I437-L441 HydrophobicContact CG2-CD1 4.03Å; I437-L441 WeakPolarHBondContact O-CG 3.33Å; I437-L441 PolarHBondContact O-N 3.01Å; F438-L441 HydrophobicContact CD1-CD1 4.49Å; F438-L441 PolarHBondContact O-N 3.24Å; T439-L441 VanDerWaalsContact C-N 3.33Å; T439-L441 PolarHBondContact O-N 2.98Å; L441-S444 PolarHBondContact O-N 3.05Å; L441-S444 PolarHBondContact O-OG 3.44Å; L441-E445 PolarHBondContact O-N 3.39Å
442F91.4Very high88.7Confident0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-69.5-34.8177.9-64-45.3000113.3L413 I414 N417 F438 T439 S444 E445 L446 I471L413-F442 HydrophobicContact CB-CE1 4.49Å; L413-F442 HydrophobicContact CD2-CD1 4.09Å; L413-F442 HydrophobicContact CD2-CE1 3.72Å; L413-F442 HydrophobicContact CD2-CZ 4.4Å; L413-F442 HydrophobicContact CG-CE1 4.02Å; L413-F442 HydrophobicContact CG-CZ 4.36Å; I414-F442 HydrophobicContact CG1-CE1 3.79Å; I414-F442 HydrophobicContact CG1-CZ 4.21Å; N417-F442 HydrophobicContact CB-CE2 4.2Å; N417-F442 HydrophobicContact CB-CZ 4Å; F438-F442 HydrophobicContact CB-CD2 4.39Å; F438-F442 HydrophobicContact CB-CE2 3.96Å; F438-F442 HydrophobicContact CD1-CE2 4.36Å; F438-F442 HydrophobicContact CD1-CZ 4.24Å; F438-F442 WeakPolarHBondContact O-CD2 3.39Å; F438-F442 WeakPolarHBondContact O-CG 3.33Å; F438-F442 PolarHBondContact O-N 2.93Å; T439-F442 PolarHBondContact O-N 3.23Å; F442-S444 VanDerWaalsContact C-N 3.33Å; F442-E445 PolarHBondContact O-N 3.16Å; F442-L446 WeakPolarHBondContact O-CB 3.31Å; F442-L446 PolarHBondContact O-N 2.97Å; F442-I471 HydrophobicContact CB-CD1 4.1Å; F442-I471 HydrophobicContact CB-CG1 4.22Å; F442-I471 HydrophobicContact CB-CG2 4.29Å
443I92.2Very high88.1Confident34 Ų3446 Ų4617%0.17423%0.232CC..Hα-helixtrans-64.8-42.1172-70.5170.5000110T439 M440 E445 L446 I447 I471 F475T439-I443 HydrophobicContact CG2-CD1 3.75Å; T439-I443 HydrophobicContact CG2-CG1 4.33Å; T439-I443 VanDerWaalsContact O-CG1 3.31Å; T439-I443 WeakPolarHBondContact O-CG1 3.46Å; T439-I443 PolarHBondContact O-N 3.37Å; M440-I443 PolarHBondContact O-N 3.45Å; I443-E445 VanDerWaalsContact C-N 3.35Å; I443-E445 PolarHBondContact O-N 3.46Å; I443-L446 WeakPolarHBondContact O-CB 3.38Å; I443-L446 PolarHBondContact O-N 3.13Å; I443-I447 HydrophobicContact CG2-CD1 3.8Å; I443-I447 HydrophobicContact CG2-CG1 4.42Å; I443-I447 VanDerWaalsContact O-CG1 3.3Å; I443-I447 WeakPolarHBondContact O-CG1 3.48Å; I443-I447 PolarHBondContact O-N 2.89Å; I443-I471 HydrophobicContact CG1-CG2 3.78Å; I443-F475 HydrophobicContact CD1-CB 4.12Å; I443-F475 HydrophobicContact CD1-CD1 4.11Å; I443-F475 HydrophobicContact CD1-CD2 3.42Å; I443-F475 VanDerWaalsContact CD1-CD2 3.42Å; I443-F475 HydrophobicContact CD1-CE1 4.33Å; I443-F475 HydrophobicContact CD1-CE2 3.66Å; I443-F475 HydrophobicContact CD1-CG 3.63Å; I443-F475 HydrophobicContact CD1-CZ 4.09Å
444S92Very high87.2Confident50 Ų5041.3 Ų41.335%0.3521%0.211SC..Hα-helixtrans-62.3-43.5176.8790000111.5M440 L441 F442 L446 I447 I448M440-S444 WeakPolarHBondContact O-CB 3.43Å; M440-S444 PolarHBondContact O-N 3.46Å; L441-S444 PolarHBondContact O-N 3.05Å; L441-S444 PolarHBondContact O-OG 3.44Å; F442-S444 VanDerWaalsContact C-N 3.33Å; S444-L446 VanDerWaalsContact C-N 3.35Å; S444-L446 PolarHBondContact O-N 2.97Å; S444-I447 PolarHBondContact O-N 3.23Å; S444-I448 WeakPolarHBondContact O-CB 3.43Å; S444-I448 WeakPolarHBondContact O-CD1 3.05Å; S444-I448 WeakPolarHBondContact O-CG1 3.41Å; S444-I448 PolarHBondContact O-N 3.16Å
445E90.2Very high86.4Confident13 Ų1340.3 Ų40.36%0.06121%0.209CC..Hα-helixtrans-58.3-46.1173.3-176-151153.400111.3F410 L441 F442 I443 I447 I448 N449 K509F410-E445 HydrophobicContact CD1-CB 4.01Å; F410-E445 HydrophobicContact CD1-CG 3.64Å; F410-E445 HydrophobicContact CD2-CG 4.11Å; F410-E445 HydrophobicContact CE1-CB 3.67Å; F410-E445 HydrophobicContact CE1-CG 3.64Å; F410-E445 HydrophobicContact CE2-CG 4.08Å; F410-E445 HydrophobicContact CG-CG 3.9Å; F410-E445 HydrophobicContact CZ-CB 4.1Å; F410-E445 HydrophobicContact CZ-CG 3.87Å; L441-E445 PolarHBondContact O-N 3.39Å; F442-E445 PolarHBondContact O-N 3.16Å; I443-E445 VanDerWaalsContact C-N 3.35Å; I443-E445 PolarHBondContact O-N 3.46Å; E445-I447 PolarHBondContact O-N 3.35Å; E445-I448 PolarHBondContact O-N 3.44Å; E445-N449 WeakPolarHBondContact O-CB 3.38Å; E445-N449 PolarHBondContact O-N 3.33Å; E445-N449 PolarHBondContact OE1-ND2 2.97Å; E445-K509 IonicContact OE1-NZ 2.68Å; E445-K509 PolarHBondContact OE1-NZ 3.34Å; E445-K509 IonicContact OE2-NZ 3.86Å; E445-K509 PolarHBondContact OE2-NZ 2.99Å
446L89.2Confident85.8Confident17 Ų1743.1 Ų43.19%0.08923%0.226CC..Hα-helixtrans-61.5-43.7179.6-175.668.5000111.8F442 I443 S444 N449 Y450 F458 F468 I471F442-L446 WeakPolarHBondContact O-CB 3.31Å; F442-L446 PolarHBondContact O-N 2.97Å; I443-L446 WeakPolarHBondContact O-CB 3.38Å; I443-L446 PolarHBondContact O-N 3.13Å; S444-L446 VanDerWaalsContact C-N 3.35Å; S444-L446 PolarHBondContact O-N 2.97Å; L446-N449 PolarHBondContact O-N 2.91Å; L446-Y450 VanDerWaalsContact O-CB 3.29Å; L446-Y450 WeakPolarHBondContact O-CB 3.48Å; L446-Y450 PolarHBondContact O-N 3.41Å; L446-F458 HydrophobicContact CD1-CE1 4.34Å; L446-F458 HydrophobicContact CD1-CE2 4.24Å; L446-F458 HydrophobicContact CD1-CZ 3.5Å; L446-F468 HydrophobicContact CD1-CB 4.1Å; L446-F468 HydrophobicContact CD1-CD2 4.35Å; L446-F468 HydrophobicContact CD2-CD2 3.82Å; L446-F468 HydrophobicContact CD2-CE2 4.48Å; L446-F468 HydrophobicContact CG-CD2 4.39Å; L446-I471 HydrophobicContact CB-CD1 4.13Å; L446-I471 HydrophobicContact CD1-CD1 4.29Å; L446-I471 HydrophobicContact CD2-CB 4.31Å; L446-I471 HydrophobicContact CD2-CD1 4.39Å; L446-I471 HydrophobicContact CD2-CG2 4.24Å
447I89.8Confident85Confident92 Ų9242.1 Ų42.147%0.47222%0.224SC..Hα-helixtrans-64.6-44.1175.9-67.1166.6000110.1I443 S444 E445 Y450 L451I443-I447 HydrophobicContact CG2-CD1 3.8Å; I443-I447 HydrophobicContact CG2-CG1 4.42Å; I443-I447 VanDerWaalsContact O-CG1 3.3Å; I443-I447 WeakPolarHBondContact O-CG1 3.48Å; I443-I447 PolarHBondContact O-N 2.89Å; S444-I447 PolarHBondContact O-N 3.23Å; E445-I447 PolarHBondContact O-N 3.35Å; I447-Y450 WeakPolarHBondContact O-CB 3.36Å; I447-Y450 PolarHBondContact O-N 3.43Å; I447-L451 HydrophobicContact CG2-CD1 4.02Å; I447-L451 HydrophobicContact CG2-CG 4.37Å; I447-L451 WeakPolarHBondContact O-CB 3.37Å; I447-L451 VanDerWaalsContact O-CG 3.24Å; I447-L451 WeakPolarHBondContact O-CG 3.4Å; I447-L451 PolarHBondContact O-N 2.93Å
448I87.1Confident84.4Confident35 Ų3537.8 Ų37.818%0.17920%0.201CC..Hα-helixtrans-59.6-49.1177-71.3166.4000110.3F397 M401 S444 E445 Y450 L451 I452F397-I448 HydrophobicContact CE1-CG2 4.17Å; F397-I448 HydrophobicContact CZ-CD1 4.41Å; F397-I448 HydrophobicContact CZ-CG1 4.14Å; F397-I448 HydrophobicContact CZ-CG2 3.96Å; M401-I448 HydrophobicContact CB-CG2 4.46Å; M401-I448 HydrophobicContact CG-CG2 3.88Å; M401-I448 HydrophobicContact SD-CD1 4.43Å; M401-I448 HydrophobicContact SD-CG2 3.68Å; S444-I448 WeakPolarHBondContact O-CB 3.43Å; S444-I448 WeakPolarHBondContact O-CD1 3.05Å; S444-I448 WeakPolarHBondContact O-CG1 3.41Å; S444-I448 PolarHBondContact O-N 3.16Å; E445-I448 PolarHBondContact O-N 3.44Å; I448-Y450 PolarHBondContact O-N 2.97Å; I448-L451 PolarHBondContact O-N 2.96Å; I448-I452 HydrophobicContact CG2-CD1 3.51Å; I448-I452 HydrophobicContact CG2-CG1 4.32Å; I448-I452 WeakPolarHBondContact O-CB 3.43Å; I448-I452 WeakPolarHBondContact O-CD1 3.49Å; I448-I452 WeakPolarHBondContact O-CG1 3.41Å; I448-I452 PolarHBondContact O-N 3.5Å
449N83.5Confident83.9Confident42 Ų4241.3 Ų41.323%0.22522%0.216CC..Hα-helixtrans-62.4-42.1177.9-74.7-19000111.7E445 L446 L451 I452 C453 F458E445-N449 WeakPolarHBondContact O-CB 3.38Å; E445-N449 PolarHBondContact O-N 3.33Å; E445-N449 PolarHBondContact OE1-ND2 2.97Å; L446-N449 PolarHBondContact O-N 2.91Å; N449-L451 VanDerWaalsContact C-N 3.34Å; N449-L451 PolarHBondContact O-N 3.46Å; N449-I452 PolarHBondContact O-N 3.45Å; N449-C453 WeakPolarHBondContact O-CB 3.41Å; N449-C453 PolarHBondContact O-N 3.23Å; N449-C453 PolarHBondContact O-SG 3.27Å; N449-C453 VanDerWaalsContact O-SG 3.34Å; N449-F458 HydrophobicContact CB-CE2 4.14Å
450Y85.5Confident83.2Confident97 Ų9746.5 Ų46.538%0.3824%0.244SC..Hα-helixtrans-58.8-45.9174.6173.8-98.2000112L446 I447 I448 G454 G455 F458 F459L446-Y450 VanDerWaalsContact O-CB 3.29Å; L446-Y450 WeakPolarHBondContact O-CB 3.48Å; L446-Y450 PolarHBondContact O-N 3.41Å; I447-Y450 WeakPolarHBondContact O-CB 3.36Å; I447-Y450 PolarHBondContact O-N 3.43Å; I448-Y450 PolarHBondContact O-N 2.97Å; Y450-G454 PolarHBondContact O-N 3.25Å; Y450-G455 VanDerWaalsContact CE2-CA 3.5Å; Y450-G455 PolarHBondContact O-N 3.28Å; Y450-F458 HydrophobicContact CD2-CB 4.02Å; Y450-F458 AromaticContact CD2-CD1 3.98Å; Y450-F458 HydrophobicContact CD2-CD1 3.98Å; Y450-F458 AromaticContact CD2-CG 3.97Å; Y450-F458 HydrophobicContact CD2-CG 3.97Å; Y450-F459 HydrophobicContact CD2-CE2 4.28Å; Y450-F459 HydrophobicContact CE2-CD2 4.46Å; Y450-F459 AromaticContact CE2-CE2 3.68Å; Y450-F459 HydrophobicContact CE2-CE2 3.68Å; Y450-F459 HydrophobicContact CE2-CZ 4.24Å
451L82.4Confident82.6Confident71 Ų7144.4 Ų44.437%0.37224%0.235SC..Hα-helixtrans-62.3-50.6176.5-69.9173000110.2Y389 F394 I447 I448 N449 C453 G454Y389-L451 VanDerWaalsContact CE2-O 3.22Å; Y389-L451 WeakPolarHBondContact CE2-O 3.44Å; F394-L451 HydrophobicContact CZ-CB 4.31Å; I447-L451 HydrophobicContact CG2-CD1 4.02Å; I447-L451 HydrophobicContact CG2-CG 4.37Å; I447-L451 WeakPolarHBondContact O-CB 3.37Å; I447-L451 VanDerWaalsContact O-CG 3.24Å; I447-L451 WeakPolarHBondContact O-CG 3.4Å; I447-L451 PolarHBondContact O-N 2.93Å; I448-L451 PolarHBondContact O-N 2.96Å; N449-L451 VanDerWaalsContact C-N 3.34Å; N449-L451 PolarHBondContact O-N 3.46Å; L451-C453 PolarHBondContact O-N 3.38Å; L451-G454 PolarHBondContact O-N 2.91Å; L451-G454 VanDerWaalsContact O-N 3.15Å
452I77.2Confident82.2Confident6 Ų643.5 Ų43.53%0.03124%0.242CC..Hα-helixtrans-57.8-44.3179.4-68.4162.6000111.5Y389 V398 M401 I448 N449 G454Y389-I452 PolarHBondContact OH-O 3.31Å; V398-I452 HydrophobicContact CG1-CG2 3.92Å; V398-I452 HydrophobicContact CG2-CG1 4.24Å; M401-I452 HydrophobicContact CB-CD1 3.32Å; M401-I452 HydrophobicContact CB-CG1 4.41Å; M401-I452 HydrophobicContact CG-CD1 3.9Å; I448-I452 HydrophobicContact CG2-CD1 3.51Å; I448-I452 HydrophobicContact CG2-CG1 4.32Å; I448-I452 WeakPolarHBondContact O-CB 3.43Å; I448-I452 WeakPolarHBondContact O-CD1 3.49Å; I448-I452 WeakPolarHBondContact O-CG1 3.41Å; I448-I452 PolarHBondContact O-N 3.5Å; N449-I452 PolarHBondContact O-N 3.45Å; I452-G454 PolarHBondContact O-N 2.88Å
453C72.3Confident81.9Confident23 Ų2344.9 Ų44.916%0.15525%0.248CC..Hα-helixtrans-70-13.3-178.4-72.50000113.9N449 L451 K457 F458N449-C453 WeakPolarHBondContact O-CB 3.41Å; N449-C453 PolarHBondContact O-N 3.23Å; N449-C453 PolarHBondContact O-SG 3.27Å; N449-C453 VanDerWaalsContact O-SG 3.34Å; L451-C453 PolarHBondContact O-N 3.38Å; C453-K457 WeakPolarHBondContact O-CB 3.31Å; C453-F458 HydrophobicContact CB-CB 3.86Å; C453-F458 HydrophobicContact CB-CD2 4.33Å
454G70.6Confident81.6Confident13 Ų1344.3 Ų44.313%0.13425%0.245CC..THydrogen-bonded Turntrans80.626.6-178.900000113.9Y450 L451 I452 V456Y450-G454 PolarHBondContact O-N 3.25Å; L451-G454 PolarHBondContact O-N 2.91Å; L451-G454 VanDerWaalsContact O-N 3.15Å; I452-G454 PolarHBondContact O-N 2.88Å; G454-V456 PolarHBondContact O-N 3.47Å
455G74.6Confident81.4Confident11 Ų1145.1 Ų45.111%0.11325%0.245CC..SBendtrans79.2-71.2172.100000115.1Y450 F458Y450-G455 VanDerWaalsContact CE2-CA 3.5Å; Y450-G455 PolarHBondContact O-N 3.28Å; G455-F458 WeakPolarHBondContact O-CB 3.44Å; G455-F458 PolarHBondContact O-N 3.2Å
456V73.8Confident81.3Confident66 Ų6647.7 Ų47.740%0.426%0.256SS..Hα-helixtrans-70.6-41.8-173.8-177.90000111.5Y381 G454 F458 F459 N460Y381-V456 HydrophobicContact CE1-CG1 4.38Å; G454-V456 PolarHBondContact O-N 3.47Å; V456-F458 PolarHBondContact O-N 3.22Å; V456-F459 PolarHBondContact O-N 3.19Å; V456-N460 PolarHBondContact O-N 2.94Å
457K72.7Confident81.2Confident44 Ų4447.4 Ų47.419%0.19126%0.255CS..Hα-helixtrans-62.5-25.6177.9-60.7-169.9176.8-171.90112.5Y381 C453 N460 F690 F695Y381-K457 HydrophobicContact CD1-CD 4.4Å; Y381-K457 HydrophobicContact CD1-CG 3.64Å; Y381-K457 HydrophobicContact CE1-CG 4.15Å; C453-K457 WeakPolarHBondContact O-CB 3.31Å; K457-N460 PolarHBondContact O-N 2.88Å; K457-F690 PolarHBondContact NZ-O 3.09Å; K457-F690 VanDerWaalsContact NZ-O 3.12Å; K457-F695 PolarHBondContact NZ-O 3.24Å; K457-F695 VanDerWaalsContact NZ-O 3.14Å
458F80Confident81.3Confident2 Ų246.1 Ų46.11%0.00925%0.246CC..Hα-helixtrans-61.2-46.8178.7-178-92.7000111.2L446 N449 Y450 C453 G455 V456 N460 N464 F468L446-F458 HydrophobicContact CD1-CE1 4.34Å; L446-F458 HydrophobicContact CD1-CE2 4.24Å; L446-F458 HydrophobicContact CD1-CZ 3.5Å; N449-F458 HydrophobicContact CB-CE2 4.14Å; Y450-F458 HydrophobicContact CD2-CB 4.02Å; Y450-F458 AromaticContact CD2-CD1 3.98Å; Y450-F458 HydrophobicContact CD2-CD1 3.98Å; Y450-F458 AromaticContact CD2-CG 3.97Å; Y450-F458 HydrophobicContact CD2-CG 3.97Å; C453-F458 HydrophobicContact CB-CB 3.86Å; C453-F458 HydrophobicContact CB-CD2 4.33Å; G455-F458 WeakPolarHBondContact O-CB 3.44Å; G455-F458 PolarHBondContact O-N 3.2Å; V456-F458 PolarHBondContact O-N 3.22Å; F458-N460 VanDerWaalsContact C-N 3.33Å; F458-N460 PolarHBondContact O-N 3.37Å; F458-N464 HydrophobicContact CD1-CB 4.48Å; F458-N464 HydrophobicContact CD2-CB 3.88Å; F458-N464 HydrophobicContact CE1-CB 4.25Å; F458-N464 HydrophobicContact CE2-CB 3.63Å; F458-N464 HydrophobicContact CG-CB 4.29Å; F458-N464 HydrophobicContact CZ-CB 3.79Å; F458-N464 WeakPolarHBondContact CZ-O 3.42Å; F458-N464 VanDerWaalsContact O-CB 3.25Å; F458-N464 WeakPolarHBondContact O-CB 3.33Å; F458-F468 HydrophobicContact CE1-CB 4.03Å; F458-F468 HydrophobicContact CE1-CD2 4.4Å; F458-F468 HydrophobicContact CE1-CG 4.49Å; F458-F468 HydrophobicContact CZ-CB 4.3Å
459F82.8Confident81.4Confident90 Ų9049.1 Ų49.140%0.39526%0.261SS..Hα-helixtrans-78.9-14.4-178.2-65.3-68.3000114.2Y450 V456 L465 F468Y450-F459 HydrophobicContact CD2-CE2 4.28Å; Y450-F459 HydrophobicContact CE2-CD2 4.46Å; Y450-F459 AromaticContact CE2-CE2 3.68Å; Y450-F459 HydrophobicContact CE2-CE2 3.68Å; Y450-F459 HydrophobicContact CE2-CZ 4.24Å; V456-F459 PolarHBondContact O-N 3.19Å; F459-L465 HydrophobicContact CD1-CD1 4.15Å; F459-F468 HydrophobicContact CE1-CD2 4.49Å
460N75.3Confident81.7Confident111 Ų11147.5 Ų47.559%0.59425%0.252SS*.Hα-helixtrans-79.9-21.9175.7-73.7-7.7000112.8V456 K457 F458V456-N460 PolarHBondContact O-N 2.94Å; K457-N460 PolarHBondContact O-N 2.88Å; F458-N460 VanDerWaalsContact C-N 3.33Å; F458-N460 PolarHBondContact O-N 3.37Å
461D79.1Confident81.9Confident47 Ų4742.9 Ų42.925%0.25123%0.234SC..SBendtrans-86116.4174.5-173.2-3.7000109.9W463 N464 L465D461-W463 PolarHBondContact O-N 2.98Å; D461-W463 PolarHBondContact OD1-N 3.18Å; D461-N464 HydrophobicContact CB-CB 4.11Å; D461-N464 WeakPolarHBondContact CB-ND2 3.47Å; D461-N464 PolarHBondContact O-N 3.47Å; D461-N464 VanDerWaalsContact O-N 3.13Å; D461-N464 PolarHBondContact OD2-ND2 3.34Å; D461-L465 PolarHBondContact O-N 3.43Å
462G83.8Confident82.3Confident50 Ų5044.1 Ų44.152%0.51524%0.237SC..Hα-helixtrans-57.4-30.6-179.100000113.3F466G462-F466 WeakPolarHBondContact O-CB 3.3Å; G462-F466 PolarHBondContact O-N 2.91Å
463W84.9Confident82.8Confident29 Ų2945.4 Ų45.411%0.1125%0.246CC..Hα-helixtrans-75.3-36.4178.6-71.6102.3000112.9D461 F466 D467 F511 R518 I521 N522D461-W463 PolarHBondContact O-N 2.98Å; D461-W463 PolarHBondContact OD1-N 3.18Å; W463-F466 HydrophobicContact CE3-CD1 4.21Å; W463-F466 HydrophobicContact CZ3-CD1 4.39Å; W463-F466 HydrophobicContact CZ3-CE1 4.47Å; W463-F466 WeakPolarHBondContact O-CB 3.46Å; W463-F466 PolarHBondContact O-N 2.98Å; W463-D467 PolarHBondContact O-N 2.79Å; W463-F511 HydrophobicContact CZ3-CB 4.26Å; W463-R518 HydrophobicContact CD2-CG 4.29Å; W463-R518 HydrophobicContact CH2-CB 4.47Å; W463-R518 HydrophobicContact CH2-CG 4.18Å; W463-R518 HydrophobicContact CZ2-CB 3.82Å; W463-R518 HydrophobicContact CZ2-CG 3.74Å; W463-I521 HydrophobicContact CH2-CB 3.97Å; W463-I521 HydrophobicContact CH2-CD1 4.09Å; W463-I521 HydrophobicContact CH2-CG2 3.81Å; W463-I521 HydrophobicContact CZ2-CB 4.43Å; W463-I521 HydrophobicContact CZ2-CG2 4.32Å; W463-N522 WeakPolarHBondContact CZ2-OD1 3.44Å
464N86.2Confident83.5Confident21 Ų2144.3 Ų44.311%0.11224%0.239CC..Hα-helixtrans-70.3-38.5174.5-70.5-22.2000111.2F458 D461 F466 D467 F468F458-N464 HydrophobicContact CD1-CB 4.48Å; F458-N464 HydrophobicContact CD2-CB 3.88Å; F458-N464 HydrophobicContact CE1-CB 4.25Å; F458-N464 HydrophobicContact CE2-CB 3.63Å; F458-N464 HydrophobicContact CG-CB 4.29Å; F458-N464 HydrophobicContact CZ-CB 3.79Å; F458-N464 WeakPolarHBondContact CZ-O 3.42Å; F458-N464 VanDerWaalsContact O-CB 3.25Å; F458-N464 WeakPolarHBondContact O-CB 3.33Å; D461-N464 HydrophobicContact CB-CB 4.11Å; D461-N464 WeakPolarHBondContact CB-ND2 3.47Å; D461-N464 PolarHBondContact O-N 3.47Å; D461-N464 VanDerWaalsContact O-N 3.13Å; D461-N464 PolarHBondContact OD2-ND2 3.34Å; N464-F466 VanDerWaalsContact C-N 3.34Å; N464-D467 PolarHBondContact O-N 3.33Å; N464-F468 WeakPolarHBondContact O-CB 3.45Å; N464-F468 PolarHBondContact O-N 2.93Å
465L88.4Confident84.4Confident68 Ų6846 Ų4636%0.35624%0.242SC..Hα-helixtrans-63.2-41172.6-177.965.9000111.5F459 D461 F468 I469F459-L465 HydrophobicContact CD1-CD1 4.15Å; D461-L465 PolarHBondContact O-N 3.43Å; L465-F468 WeakPolarHBondContact O-CB 3.42Å; L465-F468 PolarHBondContact O-N 3.18Å; L465-I469 HydrophobicContact CD1-CD1 4.37Å; L465-I469 HydrophobicContact CG-CD1 4.04Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.37Å; L465-I469 PolarHBondContact O-N 2.68Å
466F88Confident85.1Confident66 Ų6648.7 Ų48.729%0.28925%0.254SS..Hα-helixtrans-59.9-49.3174.2175.2-103.9000111.9G462 W463 N464 F468 I469 I470 L508G462-F466 WeakPolarHBondContact O-CB 3.3Å; G462-F466 PolarHBondContact O-N 2.91Å; W463-F466 HydrophobicContact CE3-CD1 4.21Å; W463-F466 HydrophobicContact CZ3-CD1 4.39Å; W463-F466 HydrophobicContact CZ3-CE1 4.47Å; W463-F466 WeakPolarHBondContact O-CB 3.46Å; W463-F466 PolarHBondContact O-N 2.98Å; N464-F466 VanDerWaalsContact C-N 3.34Å; F466-F468 VanDerWaalsContact C-N 3.3Å; F466-F468 PolarHBondContact O-N 3.26Å; F466-I469 PolarHBondContact O-N 3.28Å; F466-I470 HydrophobicContact CD1-CD1 3.7Å; F466-I470 HydrophobicContact CD2-CD1 3.96Å; F466-I470 HydrophobicContact CE1-CD1 3.25Å; F466-I470 HydrophobicContact CE2-CD1 3.53Å; F466-I470 HydrophobicContact CE2-CG1 4.43Å; F466-I470 HydrophobicContact CG-CD1 4.06Å; F466-I470 HydrophobicContact CZ-CD1 3.18Å; F466-I470 HydrophobicContact CZ-CG1 4.45Å; F466-I470 WeakPolarHBondContact O-CG1 3.2Å; F466-I470 PolarHBondContact O-N 3.02Å; F466-L508 HydrophobicContact CE1-CB 4.28Å; F466-L508 HydrophobicContact CZ-CB 3.94Å
467D88.1Confident85.7Confident12 Ų1245.7 Ų45.76%0.06424%0.236CC..Hα-helixtrans-60.5-40.4176.7-73.1-1.8000111.6W463 N464 I470 I471 K509 S512W463-D467 PolarHBondContact O-N 2.79Å; N464-D467 PolarHBondContact O-N 3.33Å; D467-I470 PolarHBondContact O-N 3.47Å; D467-I471 WeakPolarHBondContact O-CB 3.34Å; D467-I471 VanDerWaalsContact O-CG1 3.29Å; D467-I471 WeakPolarHBondContact O-CG1 3.45Å; D467-I471 PolarHBondContact O-N 3.28Å; D467-K509 WeakPolarHBondContact OD2-CE 3.28Å; D467-K509 IonicContact OD2-NZ 3.19Å; D467-S512 WeakPolarHBondContact OD1-CB 3.47Å; D467-S512 PolarHBondContact OD1-OG 3.44Å; D467-S512 PolarHBondContact OD2-OG 2.84Å
468F90.8Very high86.3Confident64 Ų6443.7 Ų43.728%0.28123%0.227SC..Hα-helixtrans-59.8-50174.9175.5-92.6000111.8L446 F458 F459 N464 L465 F466 I470 F472L446-F468 HydrophobicContact CD1-CB 4.1Å; L446-F468 HydrophobicContact CD1-CD2 4.35Å; L446-F468 HydrophobicContact CD2-CD2 3.82Å; L446-F468 HydrophobicContact CD2-CE2 4.48Å; L446-F468 HydrophobicContact CG-CD2 4.39Å; F458-F468 HydrophobicContact CE1-CB 4.03Å; F458-F468 HydrophobicContact CE1-CD2 4.4Å; F458-F468 HydrophobicContact CE1-CG 4.49Å; F458-F468 HydrophobicContact CZ-CB 4.3Å; F459-F468 HydrophobicContact CE1-CD2 4.49Å; N464-F468 WeakPolarHBondContact O-CB 3.45Å; N464-F468 PolarHBondContact O-N 2.93Å; L465-F468 WeakPolarHBondContact O-CB 3.42Å; L465-F468 PolarHBondContact O-N 3.18Å; F466-F468 VanDerWaalsContact C-N 3.3Å; F466-F468 PolarHBondContact O-N 3.26Å; F468-I470 VanDerWaalsContact C-N 3.33Å; F468-I470 PolarHBondContact O-N 2.97Å; F468-F472 WeakPolarHBondContact O-CB 3.35Å; F468-F472 PolarHBondContact O-N 3.01Å
469I90.1Very high86.8Confident98 Ų9846.4 Ų46.450%0.50324%0.241SC..Hα-helixtrans-61.1-43.4-179.6-69.1166.1000110.8L465 F466 S473L465-I469 HydrophobicContact CD1-CD1 4.37Å; L465-I469 HydrophobicContact CG-CD1 4.04Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.37Å; L465-I469 PolarHBondContact O-N 2.68Å; F466-I469 PolarHBondContact O-N 3.28Å; I469-S473 WeakPolarHBondContact O-CB 3.26Å; I469-S473 PolarHBondContact O-N 3.17Å; I469-S473 PolarHBondContact O-OG 2.58Å
470I88.7Confident86.9Confident8 Ų844.6 Ų44.64%0.04124%0.235CC..Hα-helixtrans-65.8-50.7-179-74.9171.8000111.8F466 D467 F468 F472 S473 A474 F505 R506 L508F466-I470 HydrophobicContact CD1-CD1 3.7Å; F466-I470 HydrophobicContact CD2-CD1 3.96Å; F466-I470 HydrophobicContact CE1-CD1 3.25Å; F466-I470 HydrophobicContact CE2-CD1 3.53Å; F466-I470 HydrophobicContact CE2-CG1 4.43Å; F466-I470 HydrophobicContact CG-CD1 4.06Å; F466-I470 HydrophobicContact CZ-CD1 3.18Å; F466-I470 HydrophobicContact CZ-CG1 4.45Å; F466-I470 WeakPolarHBondContact O-CG1 3.2Å; F466-I470 PolarHBondContact O-N 3.02Å; D467-I470 PolarHBondContact O-N 3.47Å; F468-I470 VanDerWaalsContact C-N 3.33Å; F468-I470 PolarHBondContact O-N 2.97Å; I470-F472 VanDerWaalsContact C-N 3.32Å; I470-F472 PolarHBondContact O-N 3.37Å; I470-S473 PolarHBondContact O-OG 3.25Å; I470-A474 WeakPolarHBondContact O-CB 3.5Å; I470-A474 PolarHBondContact O-N 3.37Å; I470-A474 VanDerWaalsContact O-N 3.13Å; I470-F505 HydrophobicContact CG1-CB 4.47Å; I470-F505 HydrophobicContact CG2-CB 4.07Å; I470-F505 VanDerWaalsContact CG2-O 3.26Å; I470-F505 WeakPolarHBondContact CG2-O 2.98Å; I470-R506 VanDerWaalsContact CG2-CA 3.49Å; I470-R506 HydrophobicContact CG2-CB 4.35Å; I470-R506 HydrophobicContact CG2-CG 3.95Å; I470-L508 HydrophobicContact CD1-CB 4.04Å; I470-L508 HydrophobicContact CD1-CD1 4.47Å
471I90.3Very high87.3Confident1 Ų141.6 Ų41.61%0.00522%0.218CC..Hα-helixtrans-65.3-42.2-177.7-65.6165.8000109.9F442 I443 L446 D467 A474 F475 K509F442-I471 HydrophobicContact CB-CD1 4.1Å; F442-I471 HydrophobicContact CB-CG1 4.22Å; F442-I471 HydrophobicContact CB-CG2 4.29Å; I443-I471 HydrophobicContact CG1-CG2 3.78Å; L446-I471 HydrophobicContact CB-CD1 4.13Å; L446-I471 HydrophobicContact CD1-CD1 4.29Å; L446-I471 HydrophobicContact CD2-CB 4.31Å; L446-I471 HydrophobicContact CD2-CD1 4.39Å; L446-I471 HydrophobicContact CD2-CG2 4.24Å; D467-I471 WeakPolarHBondContact O-CB 3.34Å; D467-I471 VanDerWaalsContact O-CG1 3.29Å; D467-I471 WeakPolarHBondContact O-CG1 3.45Å; D467-I471 PolarHBondContact O-N 3.28Å; I471-A474 PolarHBondContact O-N 3.27Å; I471-F475 WeakPolarHBondContact O-CB 3.32Å; I471-F475 PolarHBondContact O-N 3.1Å; I471-K509 HydrophobicContact CD1-CD 4.05Å; I471-K509 HydrophobicContact CG1-CD 4.27Å
472F89.8Confident87.7Confident97 Ų9743 Ų4343%0.42523%0.225SC..Hα-helixtrans-71.4-39.2-177.2-159.7-112000112.6F468 I470 A474 F475 I476F468-F472 WeakPolarHBondContact O-CB 3.35Å; F468-F472 PolarHBondContact O-N 3.01Å; I470-F472 VanDerWaalsContact C-N 3.32Å; I470-F472 PolarHBondContact O-N 3.37Å; F472-A474 VanDerWaalsContact C-N 3.34Å; F472-A474 PolarHBondContact O-N 3.42Å; F472-F475 PolarHBondContact O-N 3.2Å; F472-I476 HydrophobicContact CD1-CD1 3.4Å; F472-I476 VanDerWaalsContact CD1-CD1 3.4Å; F472-I476 HydrophobicContact CD1-CG1 4.2Å; F472-I476 HydrophobicContact CE1-CD1 3.29Å; F472-I476 HydrophobicContact CE1-CG1 4.08Å; F472-I476 HydrophobicContact CG-CD1 4.28Å; F472-I476 HydrophobicContact CZ-CD1 4.07Å; F472-I476 HydrophobicContact CZ-CG1 4.42Å; F472-I476 WeakPolarHBondContact O-CB 3.41Å; F472-I476 WeakPolarHBondContact O-CG1 3.48Å; F472-I476 PolarHBondContact O-N 3.19Å
473S88.1Confident87.8Confident33 Ų3344.8 Ų44.823%0.23122%0.222CC..Hα-helixtrans-62.9-39.9173.958.90000112.2I469 I470 G477I469-S473 WeakPolarHBondContact O-CB 3.26Å; I469-S473 PolarHBondContact O-N 3.17Å; I469-S473 PolarHBondContact O-OG 2.58Å; I470-S473 PolarHBondContact O-OG 3.25Å; S473-G477 PolarHBondContact O-N 3.04Å
474A86.6Confident87.9Confident0 Ų046.5 Ų46.50%023%0.23CC..Hα-helixtrans-66.9-41175.300000112.6I470 I471 F472 G477 Q478 R506I470-A474 WeakPolarHBondContact O-CB 3.5Å; I470-A474 PolarHBondContact O-N 3.37Å; I470-A474 VanDerWaalsContact O-N 3.13Å; I471-A474 PolarHBondContact O-N 3.27Å; F472-A474 VanDerWaalsContact C-N 3.34Å; F472-A474 PolarHBondContact O-N 3.42Å; A474-G477 PolarHBondContact O-N 3.32Å; A474-Q478 WeakPolarHBondContact O-CG 3.42Å; A474-Q478 PolarHBondContact O-N 2.93Å; A474-R506 HydrophobicContact CB-CG 4.21Å
475F90.2Very high87.7Confident47 Ų4753.7 Ų53.721%0.20626%0.257CS..Hα-helixtrans-65.3-46.1176.5179.7-120.8000112.2W436 T439 M440 I443 I471 F472 G477 Q478 I479W436-F475 HydrophobicContact CH2-CE2 4.5Å; W436-F475 HydrophobicContact CZ3-CD2 4.48Å; W436-F475 HydrophobicContact CZ3-CE2 4.04Å; T439-F475 HydrophobicContact CG2-CB 4.21Å; T439-F475 HydrophobicContact CG2-CD2 3.77Å; T439-F475 HydrophobicContact CG2-CG 4.43Å; M440-F475 HydrophobicContact CE-CE2 4.09Å; I443-F475 HydrophobicContact CD1-CB 4.12Å; I443-F475 HydrophobicContact CD1-CD1 4.11Å; I443-F475 HydrophobicContact CD1-CD2 3.42Å; I443-F475 VanDerWaalsContact CD1-CD2 3.42Å; I443-F475 HydrophobicContact CD1-CE1 4.33Å; I443-F475 HydrophobicContact CD1-CE2 3.66Å; I443-F475 HydrophobicContact CD1-CG 3.63Å; I443-F475 HydrophobicContact CD1-CZ 4.09Å; I471-F475 WeakPolarHBondContact O-CB 3.32Å; I471-F475 PolarHBondContact O-N 3.1Å; F472-F475 PolarHBondContact O-N 3.2Å; F475-G477 VanDerWaalsContact C-N 3.32Å; F475-G477 PolarHBondContact O-N 2.81Å; F475-Q478 PolarHBondContact O-N 2.87Å; F475-I479 HydrophobicContact CD1-CD1 3.79Å; F475-I479 HydrophobicContact CD2-CD1 4.17Å; F475-I479 HydrophobicContact CD2-CG1 4.47Å; F475-I479 HydrophobicContact CE1-CD1 3.35Å; F475-I479 HydrophobicContact CE2-CD1 3.8Å; F475-I479 HydrophobicContact CE2-CG1 4.23Å; F475-I479 HydrophobicContact CG-CD1 4.2Å; F475-I479 HydrophobicContact CZ-CD1 3.39Å; F475-I479 HydrophobicContact CZ-CG1 4.29Å; F475-I479 WeakPolarHBondContact O-CG1 3.47Å; F475-I479 PolarHBondContact O-N 2.76Å
476I89.1Confident87.5Confident69 Ų6954.8 Ų54.835%0.35427%0.27SS..Hα-helixtrans-58.7-46.1174.1-72.3168.6000110.2F472 Q478 I479 I480F472-I476 HydrophobicContact CD1-CD1 3.4Å; F472-I476 VanDerWaalsContact CD1-CD1 3.4Å; F472-I476 HydrophobicContact CD1-CG1 4.2Å; F472-I476 HydrophobicContact CE1-CD1 3.29Å; F472-I476 HydrophobicContact CE1-CG1 4.08Å; F472-I476 HydrophobicContact CG-CD1 4.28Å; F472-I476 HydrophobicContact CZ-CD1 4.07Å; F472-I476 HydrophobicContact CZ-CG1 4.42Å; F472-I476 WeakPolarHBondContact O-CB 3.41Å; F472-I476 WeakPolarHBondContact O-CG1 3.48Å; F472-I476 PolarHBondContact O-N 3.19Å; I476-Q478 VanDerWaalsContact C-N 3.31Å; I476-Q478 PolarHBondContact O-N 3.18Å; I476-I479 PolarHBondContact O-N 2.68Å; I476-I480 HydrophobicContact CG2-CD1 3.49Å; I476-I480 VanDerWaalsContact CG2-CD1 3.49Å; I476-I480 HydrophobicContact CG2-CG1 4.1Å; I476-I480 WeakPolarHBondContact O-CB 3.32Å; I476-I480 VanDerWaalsContact O-CG1 3.26Å; I476-I480 WeakPolarHBondContact O-CG1 3.44Å; I476-I480 PolarHBondContact O-N 3.41Å
477G87.1Confident87.5Confident2 Ų257 Ų572%0.02128%0.283CS..Hα-helixtrans-58.1-41.3177.900000113.1S473 A474 F475 Q481S473-G477 PolarHBondContact O-N 3.04Å; A474-G477 PolarHBondContact O-N 3.32Å; F475-G477 VanDerWaalsContact C-N 3.32Å; F475-G477 PolarHBondContact O-N 2.81Å; G477-Q481 PolarHBondContact O-N 3.02Å; G477-Q481 VanDerWaalsContact O-N 3.1Å
478Q86Confident87.2Confident3 Ų358.5 Ų58.51%0.01430%0.302CS..Hα-helixtrans-66.7-43.9175.5-76.1178-20.900112.6W436 T439 A474 F475 I476 Q481 L482 R503W436-Q478 HydrophobicContact CZ2-CB 4.25Å; T439-Q478 VanDerWaalsContact OG1-CD 3.27Å; T439-Q478 PolarHBondContact OG1-NE2 3.36Å; T439-Q478 VanDerWaalsContact OG1-NE2 3.11Å; T439-Q478 PolarHBondContact OG1-OE1 3.17Å; A474-Q478 WeakPolarHBondContact O-CG 3.42Å; A474-Q478 PolarHBondContact O-N 2.93Å; F475-Q478 PolarHBondContact O-N 2.87Å; I476-Q478 VanDerWaalsContact C-N 3.31Å; I476-Q478 PolarHBondContact O-N 3.18Å; Q478-Q481 PolarHBondContact O-N 3.08Å; Q478-L482 PolarHBondContact O-N 3.39Å; Q478-R503 HydrophobicContact CG-CG 4.38Å
479I88.5Confident86.7Confident58 Ų5859.4 Ų59.430%0.29731%0.309SS..Hα-helixtrans-61.4-46.2176.4-72.7170.9000110.8W436 F475 I476 Q481 L482 I483W436-I479 HydrophobicContact CH2-CG1 4.32Å; F475-I479 HydrophobicContact CD1-CD1 3.79Å; F475-I479 HydrophobicContact CD2-CD1 4.17Å; F475-I479 HydrophobicContact CD2-CG1 4.47Å; F475-I479 HydrophobicContact CE1-CD1 3.35Å; F475-I479 HydrophobicContact CE2-CD1 3.8Å; F475-I479 HydrophobicContact CE2-CG1 4.23Å; F475-I479 HydrophobicContact CG-CD1 4.2Å; F475-I479 HydrophobicContact CZ-CD1 3.39Å; F475-I479 HydrophobicContact CZ-CG1 4.29Å; F475-I479 WeakPolarHBondContact O-CG1 3.47Å; F475-I479 PolarHBondContact O-N 2.76Å; I476-I479 PolarHBondContact O-N 2.68Å; I479-Q481 VanDerWaalsContact C-N 3.3Å; I479-Q481 PolarHBondContact O-N 2.84Å; I479-L482 PolarHBondContact O-N 3.37Å; I479-I483 HydrophobicContact CG2-CD1 3.6Å; I479-I483 HydrophobicContact CG2-CG1 4.24Å; I479-I483 VanDerWaalsContact O-CG1 3.3Å; I479-I483 WeakPolarHBondContact O-CG1 3.43Å; I479-I483 PolarHBondContact O-N 2.85Å
480I86.7Confident86Confident53 Ų5364.3 Ų64.327%0.27232%0.323SS..Hα-helixtrans-58.7-45.7179.5-72.7174000110.2I476 L482 I483 F484 F499I476-I480 HydrophobicContact CG2-CD1 3.49Å; I476-I480 VanDerWaalsContact CG2-CD1 3.49Å; I476-I480 HydrophobicContact CG2-CG1 4.1Å; I476-I480 WeakPolarHBondContact O-CB 3.32Å; I476-I480 VanDerWaalsContact O-CG1 3.26Å; I476-I480 WeakPolarHBondContact O-CG1 3.44Å; I476-I480 PolarHBondContact O-N 3.41Å; I480-L482 PolarHBondContact O-N 3.32Å; I480-I483 PolarHBondContact O-N 3.19Å; I480-F484 HydrophobicContact CG2-CD2 3.48Å; I480-F484 VanDerWaalsContact CG2-CD2 3.48Å; I480-F484 HydrophobicContact CG2-CE2 3.38Å; I480-F484 WeakPolarHBondContact O-CD2 3.49Å; I480-F484 PolarHBondContact O-N 3.41Å; I480-F499 HydrophobicContact CB-CZ 4.42Å; I480-F499 HydrophobicContact CD1-CE1 4.44Å; I480-F499 HydrophobicContact CG2-CE1 4.33Å; I480-F499 HydrophobicContact CG2-CE2 4.06Å; I480-F499 HydrophobicContact CG2-CZ 3.7Å
481Q83.7Confident85.3Confident47 Ų4765.4 Ų65.422%0.2233%0.329CS..Hα-helixtrans-62.3-41.3177.4-176.5169.6-8.600112.5G477 Q478 I479 I483 F484 Y485G477-Q481 PolarHBondContact O-N 3.02Å; G477-Q481 VanDerWaalsContact O-N 3.1Å; Q478-Q481 PolarHBondContact O-N 3.08Å; I479-Q481 VanDerWaalsContact C-N 3.3Å; I479-Q481 PolarHBondContact O-N 2.84Å; Q481-I483 VanDerWaalsContact C-N 3.35Å; Q481-I483 PolarHBondContact O-N 2.88Å; Q481-F484 PolarHBondContact O-N 3.11Å; Q481-Y485 WeakPolarHBondContact O-CB 3.31Å; Q481-Y485 PolarHBondContact O-N 3.45Å
482L86Confident84.8Confident78 Ų7869.6 Ų69.641%0.40836%0.356SS..Hα-helixtrans-62.6-41.9176.1-179.265.3000111.7W436 Q478 I479 I480 Y485 S486W436-L482 HydrophobicContact CZ2-CD2 4.19Å; Q478-L482 PolarHBondContact O-N 3.39Å; I479-L482 PolarHBondContact O-N 3.37Å; I480-L482 PolarHBondContact O-N 3.32Å; L482-Y485 PolarHBondContact O-N 3.33Å; L482-S486 WeakPolarHBondContact O-CB 3.16Å; L482-S486 PolarHBondContact O-N 3.24Å; L482-S486 PolarHBondContact O-OG 3.42Å
483I87.6Confident84.2Confident87 Ų8771.4 Ų71.445%0.44637%0.365SS..Hα-helixtrans-63.2-48.9177.5-69.2168.4000110.3I479 I480 Q481 Y485 S486 I487I479-I483 HydrophobicContact CG2-CD1 3.6Å; I479-I483 HydrophobicContact CG2-CG1 4.24Å; I479-I483 VanDerWaalsContact O-CG1 3.3Å; I479-I483 WeakPolarHBondContact O-CG1 3.43Å; I479-I483 PolarHBondContact O-N 2.85Å; I480-I483 PolarHBondContact O-N 3.19Å; Q481-I483 VanDerWaalsContact C-N 3.35Å; Q481-I483 PolarHBondContact O-N 2.88Å; I483-Y485 VanDerWaalsContact C-N 3.34Å; I483-Y485 PolarHBondContact O-N 3.39Å; I483-S486 PolarHBondContact O-N 3.43Å; I483-I487 HydrophobicContact CG2-CD1 3.55Å; I483-I487 HydrophobicContact CG2-CG1 4.39Å; I483-I487 VanDerWaalsContact O-CG1 3.28Å; I483-I487 WeakPolarHBondContact O-CG1 3.46Å; I483-I487 PolarHBondContact O-N 3.46Å
484F86.1Confident83.8Confident65 Ų6571.6 Ų71.629%0.28537%0.372SS..Hα-helixtrans-62-41.9179-81.8-65.1000112.3I480 Q481 S486 I487 G488 I489 L491I480-F484 HydrophobicContact CG2-CD2 3.48Å; I480-F484 VanDerWaalsContact CG2-CD2 3.48Å; I480-F484 HydrophobicContact CG2-CE2 3.38Å; I480-F484 WeakPolarHBondContact O-CD2 3.49Å; I480-F484 PolarHBondContact O-N 3.41Å; Q481-F484 PolarHBondContact O-N 3.11Å; F484-S486 VanDerWaalsContact C-N 3.34Å; F484-S486 PolarHBondContact O-N 3.23Å; F484-I487 PolarHBondContact O-N 3.06Å; F484-G488 PolarHBondContact O-N 3.48Å; F484-I489 CarbonylContact C-O 3.42Å; F484-I489 HydrophobicContact CD1-CB 3.85Å; F484-I489 HydrophobicContact CD1-CD1 4.21Å; F484-I489 HydrophobicContact CD1-CG2 3.69Å; F484-I489 HydrophobicContact CE1-CD1 4.4Å; F484-I489 HydrophobicContact CE1-CG2 4.12Å; F484-I489 PolarHBondContact O-N 2.96Å; F484-L491 HydrophobicContact CB-CD1 4.12Å; F484-L491 HydrophobicContact CB-CG 4.07Å; F484-L491 HydrophobicContact CD1-CD2 4.11Å; F484-L491 HydrophobicContact CD1-CG 4.41Å; F484-L491 HydrophobicContact CD2-CD1 3.69Å; F484-L491 HydrophobicContact CD2-CD2 3.83Å; F484-L491 HydrophobicContact CD2-CG 3.96Å; F484-L491 HydrophobicContact CE1-CD2 4.17Å; F484-L491 HydrophobicContact CE2-CD1 4.34Å; F484-L491 HydrophobicContact CE2-CD2 3.87Å; F484-L491 HydrophobicContact CE2-CG 4.5Å; F484-L491 HydrophobicContact CG-CD1 4.04Å; F484-L491 HydrophobicContact CG-CD2 3.95Å; F484-L491 HydrophobicContact CG-CG 3.91Å; F484-L491 HydrophobicContact CZ-CD2 4.05Å
485Y81.9Confident83.4Confident172 Ų17276.2 Ų76.268%0.67540%0.395SS*.Hα-helixtrans-60-44.1173.9-175.9-100.6000111.8Q481 L482 I483 I487 G488Q481-Y485 WeakPolarHBondContact O-CB 3.31Å; Q481-Y485 PolarHBondContact O-N 3.45Å; L482-Y485 PolarHBondContact O-N 3.33Å; I483-Y485 VanDerWaalsContact C-N 3.34Å; I483-Y485 PolarHBondContact O-N 3.39Å; Y485-I487 PolarHBondContact O-N 3.24Å; Y485-G488 PolarHBondContact O-N 2.82Å; Y485-G488 VanDerWaalsContact O-N 3.11Å
486S85Confident82.7Confident90 Ų9077 Ų7763%0.62940%0.4SS*.Hα-helixtrans-68.2-31.6-179.3-570000113.5L482 I483 F484L482-S486 WeakPolarHBondContact O-CB 3.16Å; L482-S486 PolarHBondContact O-N 3.24Å; L482-S486 PolarHBondContact O-OG 3.42Å; I483-S486 PolarHBondContact O-N 3.43Å; F484-S486 VanDerWaalsContact C-N 3.34Å; F484-S486 PolarHBondContact O-N 3.23Å
487I87.7Confident82.2Confident112 Ų11278.7 Ų78.757%0.57441%0.407SS*.Hα-helixtrans-80.3-8.8176-59.6166.8000111.1I483 F484 Y485 I489I483-I487 HydrophobicContact CG2-CD1 3.55Å; I483-I487 HydrophobicContact CG2-CG1 4.39Å; I483-I487 VanDerWaalsContact O-CG1 3.28Å; I483-I487 WeakPolarHBondContact O-CG1 3.46Å; I483-I487 PolarHBondContact O-N 3.46Å; F484-I487 PolarHBondContact O-N 3.06Å; Y485-I487 PolarHBondContact O-N 3.24Å; I487-I489 VanDerWaalsContact C-N 3.3Å; I487-I489 HydrophobicContact CB-CD1 4.24Å; I487-I489 HydrophobicContact CB-CG1 4.39Å; I487-I489 HydrophobicContact CG2-CD1 3.6Å; I487-I489 HydrophobicContact CG2-CG1 3.9Å
488G81.2Confident81.9Confident45 Ų4582.7 Ų82.746%0.46443%0.427SS..THydrogen-bonded Turntrans75.618.6-176.300000113.6F484 Y485F484-G488 PolarHBondContact O-N 3.48Å; Y485-G488 PolarHBondContact O-N 2.82Å; Y485-G488 VanDerWaalsContact O-N 3.11Å
489I80.3Confident81.6Confident82 Ų8284.2 Ų84.242%0.42143%0.434SS..  trans-92107.4175.9-64.1167.9000108F484 I487 L491F484-I489 CarbonylContact C-O 3.42Å; F484-I489 HydrophobicContact CD1-CB 3.85Å; F484-I489 HydrophobicContact CD1-CD1 4.21Å; F484-I489 HydrophobicContact CD1-CG2 3.69Å; F484-I489 HydrophobicContact CE1-CD1 4.4Å; F484-I489 HydrophobicContact CE1-CG2 4.12Å; F484-I489 PolarHBondContact O-N 2.96Å; I487-I489 VanDerWaalsContact C-N 3.3Å; I487-I489 HydrophobicContact CB-CD1 4.24Å; I487-I489 HydrophobicContact CB-CG1 4.39Å; I487-I489 HydrophobicContact CG2-CD1 3.6Å; I487-I489 HydrophobicContact CG2-CG1 3.9Å; I489-L491 PolarHBondContact O-N 3.01Å
490Y75.1Confident81Confident202 Ų20285.3 Ų85.379%0.79244%0.44SS*.  trans-75.6110.5173-61.3-79.4000109.7
491L74.1Confident80.8Confident31 Ų3187.3 Ų87.316%0.16245%0.451CS..  trans-63.4145.7173.8-73.3170.5000110.3F484 I489 H493 M495 I496 F499F484-L491 HydrophobicContact CB-CD1 4.12Å; F484-L491 HydrophobicContact CB-CG 4.07Å; F484-L491 HydrophobicContact CD1-CD2 4.11Å; F484-L491 HydrophobicContact CD1-CG 4.41Å; F484-L491 HydrophobicContact CD2-CD1 3.69Å; F484-L491 HydrophobicContact CD2-CD2 3.83Å; F484-L491 HydrophobicContact CD2-CG 3.96Å; F484-L491 HydrophobicContact CE1-CD2 4.17Å; F484-L491 HydrophobicContact CE2-CD1 4.34Å; F484-L491 HydrophobicContact CE2-CD2 3.87Å; F484-L491 HydrophobicContact CE2-CG 4.5Å; F484-L491 HydrophobicContact CG-CD1 4.04Å; F484-L491 HydrophobicContact CG-CD2 3.95Å; F484-L491 HydrophobicContact CG-CG 3.91Å; F484-L491 HydrophobicContact CZ-CD2 4.05Å; I489-L491 PolarHBondContact O-N 3.01Å; L491-H493 PolarHBondContact O-N 3.26Å; L491-M495 HydrophobicContact CB-CB 4.47Å; L491-I496 HydrophobicContact CB-CD1 4.1Å; L491-I496 HydrophobicContact CB-CG1 3.65Å; L491-I496 HydrophobicContact CD1-CG1 4.42Å; L491-I496 WeakPolarHBondContact O-CD1 3.46Å; L491-F499 HydrophobicContact CD1-CD2 4.16Å; L491-F499 HydrophobicContact CD1-CE2 3.85Å
492P79Confident80.7Confident88 Ų8887 Ų8757%0.57145%0.45SS*.  trans-54.6141.6170.3-20.430.1000110.2G494 M495 I496P492-G494 PolarHBondContact O-N 3.47Å; P492-M495 HydrophobicContact CB-CG 4.5Å; P492-M495 HydrophobicContact CG-CG 4.39Å; P492-M495 PolarHBondContact O-N 3.41Å; P492-I496 PolarHBondContact O-N 3.1Å
493H78.2Confident80.3Confident136 Ų13684.4 Ų84.463%0.6344%0.435SS*.Hα-helixtrans-50.7-38.8-177.3-170.4-85.1000112.9L491 M495 I496 Q497L491-H493 PolarHBondContact O-N 3.26Å; H493-M495 PolarHBondContact O-N 3.43Å; H493-I496 PolarHBondContact O-N 2.95Å; H493-Q497 PolarHBondContact CE1-NE2 3.27Å; H493-Q497 PolarHBondContact ND1-NE2 3.19Å; H493-Q497 WeakPolarHBondContact O-CG 3.47Å; H493-Q497 PolarHBondContact O-N 3.07Å
494G79.4Confident80Confident36 Ų3683.4 Ų83.437%0.37143%0.43SS..Hα-helixtrans-62.9-35.6176.900000114.4P492 Q497 I498P492-G494 PolarHBondContact O-N 3.47Å; G494-Q497 PolarHBondContact O-N 2.96Å; G494-I498 WeakPolarHBondContact O-CG1 3.29Å; G494-I498 PolarHBondContact O-N 3.13Å; G494-I498 VanDerWaalsContact O-N 3.16Å
495M78Confident80Confident98 Ų9884 Ų8448%0.48343%0.433SS..Hα-helixtrans-72-38.9177.1-68.3-67.3145.500111.4L491 P492 H493 Q497 I498 F499L491-M495 HydrophobicContact CB-CB 4.47Å; P492-M495 HydrophobicContact CB-CG 4.5Å; P492-M495 HydrophobicContact CG-CG 4.39Å; P492-M495 PolarHBondContact O-N 3.41Å; H493-M495 PolarHBondContact O-N 3.43Å; M495-Q497 VanDerWaalsContact C-N 3.28Å; M495-Q497 PolarHBondContact O-N 3.18Å; M495-I498 HydrophobicContact CE-CD1 4.26Å; M495-I498 PolarHBondContact O-N 3.45Å; M495-I498 HydrophobicContact SD-CD1 4.09Å; M495-F499 VanDerWaalsContact O-CD2 3.23Å; M495-F499 WeakPolarHBondContact O-CD2 3.44Å; M495-F499 PolarHBondContact O-N 3.21Å; M495-F499 VanDerWaalsContact O-N 3.15Å
496I75.3Confident80Confident62 Ų6276 Ų7632%0.31840%0.401SS..Hα-helixtrans-60.6-42174.2-59.4171.8000110.1L491 P492 H493 I498 F499 L500L491-I496 HydrophobicContact CB-CD1 4.1Å; L491-I496 HydrophobicContact CB-CG1 3.65Å; L491-I496 HydrophobicContact CD1-CG1 4.42Å; L491-I496 WeakPolarHBondContact O-CD1 3.46Å; P492-I496 PolarHBondContact O-N 3.1Å; H493-I496 PolarHBondContact O-N 2.95Å; I496-I498 VanDerWaalsContact C-N 3.33Å; I496-I498 PolarHBondContact O-N 2.82Å; I496-F499 PolarHBondContact O-N 3.32Å; I496-L500 PolarHBondContact O-N 3.41Å
497Q78.6Confident80Confident105 Ų10574 Ų7449%0.49138%0.383SS..Hα-helixtrans-62.1-37.4176-74.3176.3-33.500113H493 G494 M495 L500 L501H493-Q497 PolarHBondContact CE1-NE2 3.27Å; H493-Q497 PolarHBondContact ND1-NE2 3.19Å; H493-Q497 WeakPolarHBondContact O-CG 3.47Å; H493-Q497 PolarHBondContact O-N 3.07Å; G494-Q497 PolarHBondContact O-N 2.96Å; M495-Q497 VanDerWaalsContact C-N 3.28Å; M495-Q497 PolarHBondContact O-N 3.18Å; Q497-L500 WeakPolarHBondContact O-CB 3.25Å; Q497-L500 PolarHBondContact O-N 3.48Å; Q497-L501 WeakPolarHBondContact O-CB 3.47Å; Q497-L501 PolarHBondContact O-N 3.25Å
498I81.8Confident79.9Confident86 Ų8671.4 Ų71.444%0.44137%0.371SS..Hα-helixtrans-63.9-45.3175.7-67.1164.7000110.3G494 M495 I496 L500 L501 L502G494-I498 WeakPolarHBondContact O-CG1 3.29Å; G494-I498 PolarHBondContact O-N 3.13Å; G494-I498 VanDerWaalsContact O-N 3.16Å; M495-I498 HydrophobicContact CE-CD1 4.26Å; M495-I498 PolarHBondContact O-N 3.45Å; M495-I498 HydrophobicContact SD-CD1 4.09Å; I496-I498 VanDerWaalsContact C-N 3.33Å; I496-I498 PolarHBondContact O-N 2.82Å; I498-L500 VanDerWaalsContact C-N 3.29Å; I498-L500 PolarHBondContact O-N 2.89Å; I498-L501 WeakPolarHBondContact O-CB 3.31Å; I498-L501 PolarHBondContact O-N 3.32Å; I498-L501 VanDerWaalsContact O-N 3.17Å; I498-L502 WeakPolarHBondContact O-CG 3.24Å; I498-L502 PolarHBondContact O-N 2.95Å
499F79.4Confident80.1Confident35 Ų3569.3 Ų69.315%0.15435%0.349CS..Hα-helixtrans-64.1-35.5176-66.5-53.7000112.4I480 L491 M495 I496 L502 R503I480-F499 HydrophobicContact CB-CZ 4.42Å; I480-F499 HydrophobicContact CD1-CE1 4.44Å; I480-F499 HydrophobicContact CG2-CE1 4.33Å; I480-F499 HydrophobicContact CG2-CE2 4.06Å; I480-F499 HydrophobicContact CG2-CZ 3.7Å; L491-F499 HydrophobicContact CD1-CD2 4.16Å; L491-F499 HydrophobicContact CD1-CE2 3.85Å; M495-F499 VanDerWaalsContact O-CD2 3.23Å; M495-F499 WeakPolarHBondContact O-CD2 3.44Å; M495-F499 PolarHBondContact O-N 3.21Å; M495-F499 VanDerWaalsContact O-N 3.15Å; I496-F499 PolarHBondContact O-N 3.32Å; F499-L502 HydrophobicContact CD1-CD1 4.13Å; F499-L502 PolarHBondContact O-N 2.88Å; F499-R503 WeakPolarHBondContact O-CG 3.45Å; F499-R503 PolarHBondContact O-N 3.16Å
500L76.8Confident80.3Confident81 Ų8167.4 Ų67.442%0.42434%0.339SS..Hα-helixtrans-61.7-44.9172-170.674.6000111.1I496 Q497 I498 L502 R503I496-L500 PolarHBondContact O-N 3.41Å; Q497-L500 WeakPolarHBondContact O-CB 3.25Å; Q497-L500 PolarHBondContact O-N 3.48Å; I498-L500 VanDerWaalsContact C-N 3.29Å; I498-L500 PolarHBondContact O-N 2.89Å; L500-L502 PolarHBondContact O-N 3.06Å; L500-R503 WeakPolarHBondContact O-CB 3.07Å; L500-R503 PolarHBondContact O-N 2.83Å; L500-R503 VanDerWaalsContact O-N 3.14Å
501L81.3Confident80.8Confident96 Ų9661.2 Ų61.250%0.50332%0.316SS..Hα-helixtrans-62.8-41.4178.8-17173000112.2Q497 I498 R503 L504 F505Q497-L501 WeakPolarHBondContact O-CB 3.47Å; Q497-L501 PolarHBondContact O-N 3.25Å; I498-L501 WeakPolarHBondContact O-CB 3.31Å; I498-L501 PolarHBondContact O-N 3.32Å; I498-L501 VanDerWaalsContact O-N 3.17Å; L501-R503 PolarHBondContact O-N 2.85Å; L501-L504 HydrophobicContact CD1-CD1 4.43Å; L501-L504 WeakPolarHBondContact O-CB 3.35Å; L501-L504 PolarHBondContact O-N 3.24Å; L501-F505 HydrophobicContact CG-CE1 4.18Å; L501-F505 PolarHBondContact O-N 2.99Å
502L81.3Confident81.2Confident41 Ų4159.9 Ų59.922%0.21531%0.309CS..Hα-helixtrans-58.4-30.6175.8-71176.7000112.3I498 F499 L500 L504 F505I498-L502 WeakPolarHBondContact O-CG 3.24Å; I498-L502 PolarHBondContact O-N 2.95Å; F499-L502 HydrophobicContact CD1-CD1 4.13Å; F499-L502 PolarHBondContact O-N 2.88Å; L500-L502 PolarHBondContact O-N 3.06Å; L502-L504 VanDerWaalsContact C-N 3.34Å; L502-F505 HydrophobicContact CD2-CD2 3.81Å; L502-F505 HydrophobicContact CD2-CE2 3.6Å; L502-F505 HydrophobicContact CD2-CZ 4.46Å; L502-F505 WeakPolarHBondContact O-CB 3.4Å; L502-F505 PolarHBondContact O-N 3.33Å
503R78.6Confident81.3Confident22 Ų2258.6 Ų58.68%0.08330%0.3CS..Hα-helixtrans-67.5-37.3176.3-59.6167.2-171.9-164.2-3.3111.4E435 Q478 F499 L500 L501 F505 R506E435-R503 VanDerWaalsContact OE2-CD 3.31Å; E435-R503 WeakPolarHBondContact OE2-CD 3.13Å; E435-R503 IonicContact OE2-CZ 3.13Å; E435-R503 IonicContact OE2-NE 3.96Å; E435-R503 IonicContact OE2-NH1 2.7Å; E435-R503 PolarHBondContact OE2-NH1 2.85Å; Q478-R503 HydrophobicContact CG-CG 4.38Å; F499-R503 WeakPolarHBondContact O-CG 3.45Å; F499-R503 PolarHBondContact O-N 3.16Å; L500-R503 WeakPolarHBondContact O-CB 3.07Å; L500-R503 PolarHBondContact O-N 2.83Å; L500-R503 VanDerWaalsContact O-N 3.14Å; L501-R503 PolarHBondContact O-N 2.85Å; R503-F505 PolarHBondContact O-N 3.43Å; R503-R506 WeakPolarHBondContact O-CB 3.3Å; R503-R506 PolarHBondContact O-N 2.99Å; R503-R506 PolarHBondContact O-NE 3.3Å
504L81.8Confident81.6Confident67 Ų6754.6 Ų54.635%0.35128%0.282SS..Hα-helixtrans-68.2-20.7178.3-58.7178.2000112.7V421 L501 L502 R506 L507V421-L504 HydrophobicContact CG1-CD2 3.91Å; L501-L504 HydrophobicContact CD1-CD1 4.43Å; L501-L504 WeakPolarHBondContact O-CB 3.35Å; L501-L504 PolarHBondContact O-N 3.24Å; L502-L504 VanDerWaalsContact C-N 3.34Å; L504-R506 PolarHBondContact O-N 3.39Å; L504-R506 VanDerWaalsContact O-N 3.13Å; L504-L507 VanDerWaalsContact O-CB 3.29Å; L504-L507 WeakPolarHBondContact O-CB 3.17Å; L504-L507 WeakPolarHBondContact O-CG 3.34Å; L504-L507 PolarHBondContact O-N 3.35Å
505F84.8Confident81.8Confident77 Ų7760.3 Ų60.334%0.33830%0.297SS..G310 helixtrans-60.5-22.7175-70.3-4.6000113I470 L501 L502 R503 L507 L508I470-F505 HydrophobicContact CG1-CB 4.47Å; I470-F505 HydrophobicContact CG2-CB 4.07Å; I470-F505 VanDerWaalsContact CG2-O 3.26Å; I470-F505 WeakPolarHBondContact CG2-O 2.98Å; L501-F505 HydrophobicContact CG-CE1 4.18Å; L501-F505 PolarHBondContact O-N 2.99Å; L502-F505 HydrophobicContact CD2-CD2 3.81Å; L502-F505 HydrophobicContact CD2-CE2 3.6Å; L502-F505 HydrophobicContact CD2-CZ 4.46Å; L502-F505 WeakPolarHBondContact O-CB 3.4Å; L502-F505 PolarHBondContact O-N 3.33Å; R503-F505 PolarHBondContact O-N 3.43Å; F505-L507 PolarHBondContact O-N 3.01Å; F505-L508 HydrophobicContact CB-CD1 4.07Å; F505-L508 HydrophobicContact CD1-CD1 4.06Å; F505-L508 HydrophobicContact CG-CD1 4.15Å; F505-L508 WeakPolarHBondContact O-CB 3.49Å; F505-L508 VanDerWaalsContact O-CG 3.27Å; F505-L508 WeakPolarHBondContact O-CG 3.43Å; F505-L508 PolarHBondContact O-N 3.25Å
506R82.3Confident82.1Confident3 Ų361.9 Ų61.91%0.01130%0.303CS..G310 helixtrans-58.3-26.6172.3-71.3177.8-101.4-177.5-21.2113.2T439 I470 A474 R503 L504 L508 K509T439-R506 PolarHBondContact OG1-NH1 3.47Å; T439-R506 PolarHBondContact OG1-NH2 3.38Å; I470-R506 VanDerWaalsContact CG2-CA 3.49Å; I470-R506 HydrophobicContact CG2-CB 4.35Å; I470-R506 HydrophobicContact CG2-CG 3.95Å; A474-R506 HydrophobicContact CB-CG 4.21Å; R503-R506 WeakPolarHBondContact O-CB 3.3Å; R503-R506 PolarHBondContact O-N 2.99Å; R503-R506 PolarHBondContact O-NE 3.3Å; L504-R506 PolarHBondContact O-N 3.39Å; L504-R506 VanDerWaalsContact O-N 3.13Å; R506-L508 PolarHBondContact O-N 3.29Å; R506-K509 VanDerWaalsContact O-CB 3.31Å; R506-K509 WeakPolarHBondContact O-CB 3.47Å; R506-K509 WeakPolarHBondContact O-CG 3.35Å; R506-K509 PolarHBondContact O-N 2.92Å
507L84.4Confident82.6Confident48 Ų4863.3 Ų63.325%0.25131%0.307SS..G310 helixtrans-66.8-24.7174.4-57.3-175.9000112.3I414 A418 L504 F505 K509 L510I414-L507 HydrophobicContact CG2-CD2 4.5Å; A418-L507 HydrophobicContact CB-CD1 4.05Å; A418-L507 HydrophobicContact CB-CD2 3.49Å; A418-L507 VanDerWaalsContact CB-CD2 3.49Å; A418-L507 HydrophobicContact CB-CG 4.42Å; L504-L507 VanDerWaalsContact O-CB 3.29Å; L504-L507 WeakPolarHBondContact O-CB 3.17Å; L504-L507 WeakPolarHBondContact O-CG 3.34Å; L504-L507 PolarHBondContact O-N 3.35Å; F505-L507 PolarHBondContact O-N 3.01Å; L507-K509 PolarHBondContact O-N 3.33Å; L507-L510 WeakPolarHBondContact O-CB 3.39Å; L507-L510 WeakPolarHBondContact O-CG 3.47Å; L507-L510 PolarHBondContact O-N 3.11Å; L507-L510 VanDerWaalsContact O-N 3.08Å
508L87.2Confident82.8Confident59 Ų5962.1 Ų62.131%0.30930%0.298SS..G310 helixtrans-67.2-14.5176-50.8173.4000112.3F466 I470 F505 R506 L510 F511F466-L508 HydrophobicContact CE1-CB 4.28Å; F466-L508 HydrophobicContact CZ-CB 3.94Å; I470-L508 HydrophobicContact CD1-CB 4.04Å; I470-L508 HydrophobicContact CD1-CD1 4.47Å; F505-L508 HydrophobicContact CB-CD1 4.07Å; F505-L508 HydrophobicContact CD1-CD1 4.06Å; F505-L508 HydrophobicContact CG-CD1 4.15Å; F505-L508 WeakPolarHBondContact O-CB 3.49Å; F505-L508 VanDerWaalsContact O-CG 3.27Å; F505-L508 WeakPolarHBondContact O-CG 3.43Å; F505-L508 PolarHBondContact O-N 3.25Å; R506-L508 PolarHBondContact O-N 3.29Å; L508-L510 PolarHBondContact O-N 3.43Å; L508-L510 VanDerWaalsContact O-N 3.16Å; L508-F511 HydrophobicContact CB-CD2 4.09Å; L508-F511 HydrophobicContact CB-CE2 4.33Å; L508-F511 HydrophobicContact CD2-CD2 4.16Å; L508-F511 HydrophobicContact CD2-CE2 3.53Å; L508-F511 HydrophobicContact CD2-CZ 4.22Å; L508-F511 VanDerWaalsContact O-CB 3.23Å; L508-F511 WeakPolarHBondContact O-CB 3.09Å; L508-F511 WeakPolarHBondContact O-CG 3.42Å; L508-F511 PolarHBondContact O-N 2.95Å
509K83.9Confident82.7Confident1 Ų162.7 Ų62.70%0.00430%0.301CS..Hα-helixtrans-57.1-25.3168.5-71.6-165.865.3174.60112.5I414 E445 D467 I471 R506 L507 F511 S512 V513I414-K509 HydrophobicContact CD1-CB 3.76Å; I414-K509 HydrophobicContact CD1-CD 4.46Å; I414-K509 HydrophobicContact CG1-CB 4.48Å; E445-K509 IonicContact OE1-NZ 2.68Å; E445-K509 PolarHBondContact OE1-NZ 3.34Å; E445-K509 IonicContact OE2-NZ 3.86Å; E445-K509 PolarHBondContact OE2-NZ 2.99Å; D467-K509 WeakPolarHBondContact OD2-CE 3.28Å; D467-K509 IonicContact OD2-NZ 3.19Å; I471-K509 HydrophobicContact CD1-CD 4.05Å; I471-K509 HydrophobicContact CG1-CD 4.27Å; R506-K509 VanDerWaalsContact O-CB 3.31Å; R506-K509 WeakPolarHBondContact O-CB 3.47Å; R506-K509 WeakPolarHBondContact O-CG 3.35Å; R506-K509 PolarHBondContact O-N 2.92Å; L507-K509 PolarHBondContact O-N 3.33Å; K509-F511 PolarHBondContact O-N 3.42Å; K509-F511 VanDerWaalsContact O-N 3.16Å; K509-S512 CarbonylContact O-C 3.48Å; K509-S512 WeakPolarHBondContact O-CA 3.22Å; K509-S512 PolarHBondContact O-N 3.46Å; K509-S512 PolarHBondContact O-OG 3.37Å; K509-V513 PolarHBondContact O-N 3.27Å
510L85.5Confident82.9Confident41 Ų4164.3 Ų64.322%0.21531%0.314CS..Hα-helixtrans-56.8-32.2173.8-73.2170.6000112.1T411 I414 V415 L507 L508 S512 V513 I514T411-L510 HydrophobicContact CG2-CD2 4.41Å; I414-L510 HydrophobicContact CB-CD2 4.4Å; I414-L510 HydrophobicContact CG2-CD1 4.36Å; I414-L510 HydrophobicContact CG2-CD2 3.99Å; I414-L510 HydrophobicContact CG2-CG 3.75Å; V415-L510 HydrophobicContact CG2-CD2 4.05Å; L507-L510 WeakPolarHBondContact O-CB 3.39Å; L507-L510 WeakPolarHBondContact O-CG 3.47Å; L507-L510 PolarHBondContact O-N 3.11Å; L507-L510 VanDerWaalsContact O-N 3.08Å; L508-L510 PolarHBondContact O-N 3.43Å; L508-L510 VanDerWaalsContact O-N 3.16Å; L510-S512 VanDerWaalsContact C-N 3.33Å; L510-V513 PolarHBondContact O-N 2.8Å; L510-I514 PolarHBondContact O-N 3.41Å
511F85.9Confident83.3Confident73 Ų7362.4 Ų62.432%0.3230%0.304SS..Hα-helixtrans-66.9-34.8175.3-59.3-29.3000112.8W463 L508 K509 V513 F517 R518 I521W463-F511 HydrophobicContact CZ3-CB 4.26Å; L508-F511 HydrophobicContact CB-CD2 4.09Å; L508-F511 HydrophobicContact CB-CE2 4.33Å; L508-F511 HydrophobicContact CD2-CD2 4.16Å; L508-F511 HydrophobicContact CD2-CE2 3.53Å; L508-F511 HydrophobicContact CD2-CZ 4.22Å; L508-F511 VanDerWaalsContact O-CB 3.23Å; L508-F511 WeakPolarHBondContact O-CB 3.09Å; L508-F511 WeakPolarHBondContact O-CG 3.42Å; L508-F511 PolarHBondContact O-N 2.95Å; K509-F511 PolarHBondContact O-N 3.42Å; K509-F511 VanDerWaalsContact O-N 3.16Å; F511-V513 VanDerWaalsContact C-N 3.32Å; F511-F517 HydrophobicContact CB-CB 4.42Å; F511-F517 HydrophobicContact CD1-CB 4.1Å; F511-F517 AromaticContact CD1-CD2 3.71Å; F511-F517 HydrophobicContact CD1-CD2 3.71Å; F511-F517 HydrophobicContact CD1-CE2 4.38Å; F511-F517 HydrophobicContact CD1-CG 4.09Å; F511-F517 HydrophobicContact CE1-CD2 4.29Å; F511-R518 VanDerWaalsContact O-CG 3.25Å; F511-R518 WeakPolarHBondContact O-CG 3.41Å; F511-I521 HydrophobicContact CB-CD1 3.49Å; F511-I521 VanDerWaalsContact CB-CD1 3.49Å; F511-I521 HydrophobicContact CD1-CD1 4.26Å; F511-I521 HydrophobicContact CD2-CD1 3.56Å; F511-I521 HydrophobicContact CE2-CD1 4.28Å; F511-I521 HydrophobicContact CG-CD1 3.53Å
512S81.8Confident83.2Confident2 Ų261.1 Ų61.11%0.01430%0.297CS..Hα-helixtrans-76.5-18.2173.582.10000111.7D467 K509 L510 R518D467-S512 WeakPolarHBondContact OD1-CB 3.47Å; D467-S512 PolarHBondContact OD1-OG 3.44Å; D467-S512 PolarHBondContact OD2-OG 2.84Å; K509-S512 CarbonylContact O-C 3.48Å; K509-S512 WeakPolarHBondContact O-CA 3.22Å; K509-S512 PolarHBondContact O-N 3.46Å; K509-S512 PolarHBondContact O-OG 3.37Å; L510-S512 VanDerWaalsContact C-N 3.33Å; S512-R518 PolarHBondContact O-NE 2.81Å; S512-R518 PolarHBondContact O-NH2 2.99Å
513V80.9Confident83.1Confident61 Ų6159.5 Ų59.537%0.3729%0.289SS..Hα-helixtrans-89.7-43.5178.6175.40000112.1T411 I414 K509 L510 F511 K515T411-V513 HydrophobicContact CG2-CG1 3.94Å; T411-V513 WeakPolarHBondContact OG1-CG1 3.25Å; I414-V513 HydrophobicContact CD1-CG2 4.25Å; K509-V513 PolarHBondContact O-N 3.27Å; L510-V513 PolarHBondContact O-N 2.8Å; F511-V513 VanDerWaalsContact C-N 3.32Å; V513-K515 PolarHBondContact O-N 3.36Å
514I85.2Confident83.4Confident52 Ų5263 Ų6327%0.26731%0.309SS..  trans-83.5116-171.3-64.5168.2000109.9L510 Q516 F517 R518L510-I514 PolarHBondContact O-N 3.41Å; I514-Q516 VanDerWaalsContact C-N 3.26Å; I514-Q516 HydrophobicContact CG2-CB 4.24Å; I514-Q516 VanDerWaalsContact CG2-OE1 3.26Å; I514-Q516 PolarHBondContact O-N 2.9Å; I514-F517 HydrophobicContact CB-CB 4.24Å; I514-F517 HydrophobicContact CB-CD2 3.62Å; I514-F517 HydrophobicContact CB-CE2 4.24Å; I514-F517 HydrophobicContact CB-CG 4.03Å; I514-F517 HydrophobicContact CD1-CD2 3.62Å; I514-F517 HydrophobicContact CD1-CE2 3.39Å; I514-F517 HydrophobicContact CD1-CZ 4.31Å; I514-F517 HydrophobicContact CG1-CD2 4.16Å; I514-F517 HydrophobicContact CG1-CE2 4.38Å; I514-F517 HydrophobicContact CG2-CB 4.34Å; I514-F517 HydrophobicContact CG2-CD1 4.36Å; I514-F517 HydrophobicContact CG2-CD2 3.82Å; I514-F517 HydrophobicContact CG2-CE2 4.23Å; I514-F517 HydrophobicContact CG2-CG 3.9Å; I514-F517 PolarHBondContact O-N 3.37Å; I514-R518 PolarHBondContact O-N 3.49Å
515K82.9Confident83.4Confident157 Ų15764.7 Ų64.768%0.68332%0.317SS*.Hα-helixtrans-54.1-40.9-177.1-174.3-178.1176.9-174.10112.5V513 R518 I519V513-K515 PolarHBondContact O-N 3.36Å; K515-R518 PolarHBondContact O-N 3.46Å; K515-I519 HydrophobicContact CG-CD1 4.33Å; K515-I519 WeakPolarHBondContact O-CG1 3.37Å; K515-I519 PolarHBondContact O-N 2.94Å; K515-I519 VanDerWaalsContact O-N 3.14Å
516Q83.6Confident83Confident131 Ų13161.9 Ų61.961%0.61231%0.307SS*.Hα-helixtrans-63-41.8179-6381.7-3.300111.6I514 I519 V520I514-Q516 VanDerWaalsContact C-N 3.26Å; I514-Q516 HydrophobicContact CG2-CB 4.24Å; I514-Q516 VanDerWaalsContact CG2-OE1 3.26Å; I514-Q516 PolarHBondContact O-N 2.9Å; Q516-I519 PolarHBondContact O-N 3.23Å; Q516-V520 WeakPolarHBondContact O-CG2 3.49Å; Q516-V520 PolarHBondContact O-N 2.99Å
517F87Confident82.9Confident91 Ų9162.2 Ų62.240%0.39931%0.309SS..Hα-helixtrans-68.6-37.9176.9-64.1-20.1000112.2F511 I514 I519 V520 I521F511-F517 HydrophobicContact CB-CB 4.42Å; F511-F517 HydrophobicContact CD1-CB 4.1Å; F511-F517 AromaticContact CD1-CD2 3.71Å; F511-F517 HydrophobicContact CD1-CD2 3.71Å; F511-F517 HydrophobicContact CD1-CE2 4.38Å; F511-F517 HydrophobicContact CD1-CG 4.09Å; F511-F517 HydrophobicContact CE1-CD2 4.29Å; I514-F517 HydrophobicContact CB-CB 4.24Å; I514-F517 HydrophobicContact CB-CD2 3.62Å; I514-F517 HydrophobicContact CB-CE2 4.24Å; I514-F517 HydrophobicContact CB-CG 4.03Å; I514-F517 HydrophobicContact CD1-CD2 3.62Å; I514-F517 HydrophobicContact CD1-CE2 3.39Å; I514-F517 HydrophobicContact CD1-CZ 4.31Å; I514-F517 HydrophobicContact CG1-CD2 4.16Å; I514-F517 HydrophobicContact CG1-CE2 4.38Å; I514-F517 HydrophobicContact CG2-CB 4.34Å; I514-F517 HydrophobicContact CG2-CD1 4.36Å; I514-F517 HydrophobicContact CG2-CD2 3.82Å; I514-F517 HydrophobicContact CG2-CE2 4.23Å; I514-F517 HydrophobicContact CG2-CG 3.9Å; I514-F517 PolarHBondContact O-N 3.37Å; F517-I519 VanDerWaalsContact C-N 3.3Å; F517-I519 PolarHBondContact O-N 2.89Å; F517-V520 PolarHBondContact O-N 3.06Å; F517-I521 WeakPolarHBondContact O-CG1 3.43Å; F517-I521 PolarHBondContact O-N 3.41Å
518R82.7Confident82.9Confident81 Ų8164.4 Ų64.431%0.30632%0.32SS..Hα-helixtrans-56.8-44.7172.9-69.1-167.4-178-156.3-5.1111.8W463 F511 S512 I514 K515 I521 N522W463-R518 HydrophobicContact CD2-CG 4.29Å; W463-R518 HydrophobicContact CH2-CB 4.47Å; W463-R518 HydrophobicContact CH2-CG 4.18Å; W463-R518 HydrophobicContact CZ2-CB 3.82Å; W463-R518 HydrophobicContact CZ2-CG 3.74Å; F511-R518 VanDerWaalsContact O-CG 3.25Å; F511-R518 WeakPolarHBondContact O-CG 3.41Å; S512-R518 PolarHBondContact O-NE 2.81Å; S512-R518 PolarHBondContact O-NH2 2.99Å; I514-R518 PolarHBondContact O-N 3.49Å; K515-R518 PolarHBondContact O-N 3.46Å; R518-I521 PolarHBondContact O-N 3.06Å; R518-N522 VanDerWaalsContact O-CB 3.24Å; R518-N522 WeakPolarHBondContact O-CB 3.34Å; R518-N522 PolarHBondContact O-N 3.16Å; R518-N522 PolarHBondContact O-ND2 3.15Å
519I78.8Confident82.5Confident98 Ų9864.6 Ų64.650%0.50333%0.325SS..Hα-helixtrans-61.3-49179.2-66.3165000110.3K515 Q516 F517 I521 N522 C523K515-I519 HydrophobicContact CG-CD1 4.33Å; K515-I519 WeakPolarHBondContact O-CG1 3.37Å; K515-I519 PolarHBondContact O-N 2.94Å; K515-I519 VanDerWaalsContact O-N 3.14Å; Q516-I519 PolarHBondContact O-N 3.23Å; F517-I519 VanDerWaalsContact C-N 3.3Å; F517-I519 PolarHBondContact O-N 2.89Å; I519-I521 PolarHBondContact O-N 2.92Å; I519-N522 PolarHBondContact O-N 2.69Å; I519-C523 WeakPolarHBondContact O-CB 3.47Å; I519-C523 PolarHBondContact O-N 3.12Å
520V84.7Confident82.1Confident69 Ų6964.9 Ų64.942%0.41833%0.327SS..Hα-helixtrans-61.9-45.2-179.8175.70000111.7Q516 F517 C523 I524Q516-V520 WeakPolarHBondContact O-CG2 3.49Å; Q516-V520 PolarHBondContact O-N 2.99Å; F517-V520 PolarHBondContact O-N 3.06Å; V520-C523 WeakPolarHBondContact O-CB 3.37Å; V520-C523 PolarHBondContact O-N 3.38Å; V520-I524 HydrophobicContact CG1-CD1 4.03Å; V520-I524 WeakPolarHBondContact O-CG1 3.41Å; V520-I524 PolarHBondContact O-N 3.37Å
521I85.5Confident82.1Confident40 Ų4064.2 Ų64.221%0.20532%0.323CS..Hα-helixtrans-69.6-41.4-179.5-69.5177.4000111.7W463 F511 F517 R518 I519 C523 I524 L525W463-I521 HydrophobicContact CH2-CB 3.97Å; W463-I521 HydrophobicContact CH2-CD1 4.09Å; W463-I521 HydrophobicContact CH2-CG2 3.81Å; W463-I521 HydrophobicContact CZ2-CB 4.43Å; W463-I521 HydrophobicContact CZ2-CG2 4.32Å; F511-I521 HydrophobicContact CB-CD1 3.49Å; F511-I521 VanDerWaalsContact CB-CD1 3.49Å; F511-I521 HydrophobicContact CD1-CD1 4.26Å; F511-I521 HydrophobicContact CD2-CD1 3.56Å; F511-I521 HydrophobicContact CE2-CD1 4.28Å; F511-I521 HydrophobicContact CG-CD1 3.53Å; F517-I521 WeakPolarHBondContact O-CG1 3.43Å; F517-I521 PolarHBondContact O-N 3.41Å; R518-I521 PolarHBondContact O-N 3.06Å; I519-I521 PolarHBondContact O-N 2.92Å; I521-C523 VanDerWaalsContact C-N 3.27Å; I521-C523 PolarHBondContact O-N 3.03Å; I521-I524 PolarHBondContact O-N 3.15Å; I521-L525 HydrophobicContact CG2-CD1 3.9Å; I521-L525 HydrophobicContact CG2-CG 4.17Å; I521-L525 WeakPolarHBondContact O-CB 3.32Å; I521-L525 WeakPolarHBondContact O-CG 3.32Å; I521-L525 PolarHBondContact O-N 2.92Å
522N79.5Confident82.2Confident70 Ų7064.2 Ų64.237%0.37433%0.33SS..Hα-helixtrans-58.6-44174.6-74.3-11.4000110.5W463 R518 I519 I524 L525 T526W463-N522 WeakPolarHBondContact CZ2-OD1 3.44Å; R518-N522 VanDerWaalsContact O-CB 3.24Å; R518-N522 WeakPolarHBondContact O-CB 3.34Å; R518-N522 PolarHBondContact O-N 3.16Å; R518-N522 PolarHBondContact O-ND2 3.15Å; I519-N522 PolarHBondContact O-N 2.69Å; N522-I524 PolarHBondContact O-N 3.1Å; N522-L525 PolarHBondContact O-N 3.01Å; N522-T526 WeakPolarHBondContact O-CB 3.34Å; N522-T526 PolarHBondContact O-N 3.35Å; N522-T526 PolarHBondContact O-OG1 3.37Å
523C78.2Confident82.6Confident6 Ų664.7 Ų64.74%0.04133%0.334CS..Hα-helixtrans-57.8-48.7174-178.60000111.6I519 V520 I521 L525 T526 I527 F652 E655I519-C523 WeakPolarHBondContact O-CB 3.47Å; I519-C523 PolarHBondContact O-N 3.12Å; V520-C523 WeakPolarHBondContact O-CB 3.37Å; V520-C523 PolarHBondContact O-N 3.38Å; I521-C523 VanDerWaalsContact C-N 3.27Å; I521-C523 PolarHBondContact O-N 3.03Å; C523-L525 PolarHBondContact O-N 2.71Å; C523-T526 PolarHBondContact O-N 2.9Å; C523-I527 VanDerWaalsContact O-CG1 3.24Å; C523-I527 WeakPolarHBondContact O-CG1 3.31Å; C523-I527 PolarHBondContact O-N 3.44Å; C523-I527 VanDerWaalsContact SG-CD1 3.53Å; C523-F652 VanDerWaalsContact SG-CD2 3.53Å; C523-E655 HydrophobicContact CB-CG 3.97Å
524I84.5Confident82.9Confident97 Ų9762.5 Ų62.550%0.49732%0.319SS..Hα-helixtrans-58.4-46176.5-68.6166.4000111.5V520 I521 N522 T526 I527 L528V520-I524 HydrophobicContact CG1-CD1 4.03Å; V520-I524 WeakPolarHBondContact O-CG1 3.41Å; V520-I524 PolarHBondContact O-N 3.37Å; I521-I524 PolarHBondContact O-N 3.15Å; N522-I524 PolarHBondContact O-N 3.1Å; I524-T526 VanDerWaalsContact C-N 3.31Å; I524-T526 PolarHBondContact O-N 2.89Å; I524-I527 PolarHBondContact O-N 3.37Å; I524-L528 VanDerWaalsContact O-CB 3.29Å; I524-L528 WeakPolarHBondContact O-CB 3.47Å; I524-L528 PolarHBondContact O-N 2.99Å
525L83.3Confident83.2Confident101 Ų10163.1 Ų63.153%0.52933%0.325SS..Hα-helixtrans-65.4-33.7180-69.8175.3000112.3I521 N522 C523 P529I521-L525 HydrophobicContact CG2-CD1 3.9Å; I521-L525 HydrophobicContact CG2-CG 4.17Å; I521-L525 WeakPolarHBondContact O-CB 3.32Å; I521-L525 WeakPolarHBondContact O-CG 3.32Å; I521-L525 PolarHBondContact O-N 2.92Å; N522-L525 PolarHBondContact O-N 3.01Å; C523-L525 PolarHBondContact O-N 2.71Å; L525-P529 WeakPolarHBondContact O-CD 3.48Å
526T76Confident83.7Confident19 Ų1958 Ų5812%0.11731%0.307CS..Hα-helixtrans-68.8-38.7173.4-60.80000111.8N522 C523 I524 P529N522-T526 WeakPolarHBondContact O-CB 3.34Å; N522-T526 PolarHBondContact O-N 3.35Å; N522-T526 PolarHBondContact O-OG1 3.37Å; C523-T526 PolarHBondContact O-N 2.9Å; I524-T526 VanDerWaalsContact C-N 3.31Å; I524-T526 PolarHBondContact O-N 2.89Å; T526-P529 WeakPolarHBondContact O-CD 3.5Å
527I80Confident84.2Confident10 Ų1052 Ų525%0.05128%0.28CS..Hα-helixtrans-80.1-32.9-177.5-64173.5000112.2C523 I524 S530 L531 F647 A651 F652C523-I527 VanDerWaalsContact O-CG1 3.24Å; C523-I527 WeakPolarHBondContact O-CG1 3.31Å; C523-I527 PolarHBondContact O-N 3.44Å; C523-I527 VanDerWaalsContact SG-CD1 3.53Å; I524-I527 PolarHBondContact O-N 3.37Å; I527-S530 WeakPolarHBondContact O-CA 3.04Å; I527-S530 VanDerWaalsContact O-CB 3.23Å; I527-S530 WeakPolarHBondContact O-CB 3.13Å; I527-S530 PolarHBondContact O-N 3.49Å; I527-L531 HydrophobicContact CG2-CD1 4.05Å; I527-L531 HydrophobicContact CG2-CG 4.12Å; I527-L531 PolarHBondContact O-N 3.42Å; I527-F647 HydrophobicContact CG2-CE1 3.82Å; I527-A651 HydrophobicContact CD1-CB 3.75Å; I527-A651 HydrophobicContact CG1-CB 3.76Å; I527-A651 HydrophobicContact CG2-CB 4.06Å; I527-F652 HydrophobicContact CD1-CB 4.4Å
528L83.3Confident84.6Confident94 Ų9448.9 Ų48.949%0.49227%0.267SS..Hα-helixtrans-53.2-44.8-173.4-17767000114.1I524 S530 L531 T532I524-L528 VanDerWaalsContact O-CB 3.29Å; I524-L528 WeakPolarHBondContact O-CB 3.47Å; I524-L528 PolarHBondContact O-N 2.99Å; L528-S530 PolarHBondContact O-N 3.22Å; L528-L531 WeakPolarHBondContact O-CB 3.24Å; L528-L531 PolarHBondContact O-N 2.7Å; L528-L531 VanDerWaalsContact O-N 3.11Å; L528-T532 WeakPolarHBondContact O-CG2 3.42Å; L528-T532 PolarHBondContact O-N 3.43Å
529P80.5Confident85.1Confident62 Ų6249.2 Ų49.240%0.40327%0.274SS..Hα-helixtrans-55.6-33174.4-27.335.6000113.6L525 T526 T532 I725L525-P529 WeakPolarHBondContact O-CD 3.48Å; T526-P529 WeakPolarHBondContact O-CD 3.5Å; P529-T532 WeakPolarHBondContact O-CB 3.29Å; P529-T532 WeakPolarHBondContact O-CG2 3.29Å; P529-T532 PolarHBondContact O-N 2.97Å; P529-T532 PolarHBondContact O-OG1 2.77Å; P529-I725 HydrophobicContact CB-CD1 4.25Å
530S74.9Confident85.9Confident7 Ų745.2 Ų45.25%0.04925%0.254CS..Hα-helixtrans-75.2-33.2179.4-47.50000113I527 L528 T532 I725I527-S530 WeakPolarHBondContact O-CA 3.04Å; I527-S530 VanDerWaalsContact O-CB 3.23Å; I527-S530 WeakPolarHBondContact O-CB 3.13Å; I527-S530 PolarHBondContact O-N 3.49Å; L528-S530 PolarHBondContact O-N 3.22Å; S530-T532 PolarHBondContact O-N 3.35Å; S530-I725 VanDerWaalsContact OG-CG1 3.25Å; S530-I725 WeakPolarHBondContact OG-CG1 3.37Å
531L85.1Confident86.4Confident27 Ų2743.2 Ų43.214%0.14124%0.24CC..Hα-helixtrans-68.5-21.7175.2-70.7172.3000113.1I527 L528 A533 Y534 T535 V644 F647 I648I527-L531 HydrophobicContact CG2-CD1 4.05Å; I527-L531 HydrophobicContact CG2-CG 4.12Å; I527-L531 PolarHBondContact O-N 3.42Å; L528-L531 WeakPolarHBondContact O-CB 3.24Å; L528-L531 PolarHBondContact O-N 2.7Å; L528-L531 VanDerWaalsContact O-N 3.11Å; L531-A533 VanDerWaalsContact C-N 3.25Å; L531-A533 PolarHBondContact O-N 2.6Å; L531-Y534 PolarHBondContact O-N 3Å; L531-T535 WeakPolarHBondContact O-CB 3.41Å; L531-T535 PolarHBondContact O-N 3.39Å; L531-T535 PolarHBondContact O-OG1 3.07Å; L531-V644 HydrophobicContact CD2-CG1 3.87Å; L531-F647 HydrophobicContact CD2-CD1 3.57Å; L531-F647 HydrophobicContact CD2-CE1 4Å; L531-F647 HydrophobicContact CG-CD1 4.2Å; L531-F647 HydrophobicContact CG-CE1 4.12Å; L531-I648 HydrophobicContact CD1-CD1 4.23Å; L531-I648 HydrophobicContact CD1-CG1 4.15Å; L531-I648 HydrophobicContact CD2-CD1 4.08Å; L531-I648 HydrophobicContact CD2-CG1 3.72Å; L531-I648 HydrophobicContact CG-CG1 4.46Å
532T88.3Confident87Confident74 Ų7441.7 Ų41.745%0.45423%0.232SC..Hα-helixtrans-56.9-37.9-178.264.60000112.6L528 P529 S530 T536L528-T532 WeakPolarHBondContact O-CG2 3.42Å; L528-T532 PolarHBondContact O-N 3.43Å; P529-T532 WeakPolarHBondContact O-CB 3.29Å; P529-T532 WeakPolarHBondContact O-CG2 3.29Å; P529-T532 PolarHBondContact O-N 2.97Å; P529-T532 PolarHBondContact O-OG1 2.77Å; S530-T532 PolarHBondContact O-N 3.35Å; T532-T536 VanDerWaalsContact O-CB 3.25Å; T532-T536 WeakPolarHBondContact O-CB 3.35Å; T532-T536 PolarHBondContact O-N 3.18Å; T532-T536 PolarHBondContact O-OG1 2.99Å
533A88.9Confident87.8Confident12 Ų1239 Ų3910%0.09922%0.217CC..Hα-helixtrans-65.6-48.3179.800000112L169 A172 L531 T536 I537L169-A533 WeakPolarHBondContact CD1-O 3.45Å; A172-A533 HydrophobicContact CB-CB 4.04Å; L531-A533 VanDerWaalsContact C-N 3.25Å; L531-A533 PolarHBondContact O-N 2.6Å; A533-T536 PolarHBondContact O-N 3.29Å; A533-I537 WeakPolarHBondContact O-CG1 3.38Å; A533-I537 PolarHBondContact O-N 3.07Å; A533-I537 VanDerWaalsContact O-N 3.08Å
534Y89.1Confident88.6Confident14 Ų1440.6 Ų40.66%0.05523%0.225CC..Hα-helixtrans-70.2-39.1179-60.9-76.4000112.4A172 Y279 L531 T536 I537 L538 V643 V644 F647A172-Y534 HydrophobicContact CB-CD1 4.06Å; A172-Y534 HydrophobicContact CB-CE1 3.69Å; Y279-Y534 AromaticContact CE2-CE1 3.98Å; Y279-Y534 HydrophobicContact CE2-CE1 3.98Å; Y279-Y534 AromaticContact CE2-CZ 3.73Å; Y279-Y534 WeakPolarHBondContact CE2-OH 3.4Å; Y279-Y534 AromaticContact CZ-CZ 3.95Å; Y279-Y534 VanDerWaalsContact OH-CZ 3.31Å; Y279-Y534 PolarHBondContact OH-OH 2.89Å; L531-Y534 PolarHBondContact O-N 3Å; Y534-T536 VanDerWaalsContact C-N 3.27Å; Y534-T536 PolarHBondContact O-N 2.92Å; Y534-I537 WeakPolarHBondContact O-CB 3.23Å; Y534-I537 PolarHBondContact O-N 2.69Å; Y534-I537 VanDerWaalsContact O-N 3.13Å; Y534-L538 PolarHBondContact O-N 2.81Å; Y534-V643 HydrophobicContact CD1-CG1 3.91Å; Y534-V643 HydrophobicContact CE1-CG1 3.75Å; Y534-V644 HydrophobicContact CG-CG2 4.34Å; Y534-F647 HydrophobicContact CE2-CB 4.47Å; Y534-F647 HydrophobicContact CE2-CD2 4.27Å; Y534-F647 HydrophobicContact CE2-CG 4.16Å
535T91.1Very high89.1Confident66 Ų6636.8 Ų36.841%0.40520%0.204SC..Hα-helixtrans-61.8-39.4174.1-52.30000110.6L531 I537 L538 L539L531-T535 WeakPolarHBondContact O-CB 3.41Å; L531-T535 PolarHBondContact O-N 3.39Å; L531-T535 PolarHBondContact O-OG1 3.07Å; T535-I537 PolarHBondContact O-N 3.35Å; T535-L538 WeakPolarHBondContact O-CB 3.42Å; T535-L538 PolarHBondContact O-N 2.87Å; T535-L539 WeakPolarHBondContact O-CG 3.38Å; T535-L539 PolarHBondContact O-N 3.25Å
536T93.1Very high89.7Confident50 Ų5032 Ų3231%0.30718%0.179SC..Hα-helixtrans-65.4-37174.8-57.80000111.8L169 T532 A533 Y534 L538 L539 I540L169-T536 HydrophobicContact CD1-CG2 3.66Å; L169-T536 HydrophobicContact CD2-CG2 4.11Å; T532-T536 VanDerWaalsContact O-CB 3.25Å; T532-T536 WeakPolarHBondContact O-CB 3.35Å; T532-T536 PolarHBondContact O-N 3.18Å; T532-T536 PolarHBondContact O-OG1 2.99Å; A533-T536 PolarHBondContact O-N 3.29Å; Y534-T536 VanDerWaalsContact C-N 3.27Å; Y534-T536 PolarHBondContact O-N 2.92Å; T536-L538 VanDerWaalsContact C-N 3.35Å; T536-L539 PolarHBondContact O-N 3.13Å; T536-I540 HydrophobicContact CG2-CD1 4.23Å; T536-I540 VanDerWaalsContact O-CG1 3.32Å; T536-I540 WeakPolarHBondContact O-CG1 3.48Å; T536-I540 PolarHBondContact O-N 2.99Å
537I93.8Very high90.6Very high5 Ų531.3 Ų31.33%0.02618%0.175CC..Hα-helixtrans-62.3-43.3172.7-66170.2000110.9L169 A172 F173 L176 A533 Y534 T535 L539 I540 L541L169-I537 HydrophobicContact CD1-CD1 4.44Å; L169-I537 HydrophobicContact CD1-CG1 3.61Å; A172-I537 VanDerWaalsContact C-CD1 3.48Å; A172-I537 HydrophobicContact CB-CD1 3.48Å; A172-I537 VanDerWaalsContact CB-CD1 3.48Å; F173-I537 HydrophobicContact CB-CD1 4.18Å; L176-I537 HydrophobicContact CD1-CG2 4.38Å; A533-I537 WeakPolarHBondContact O-CG1 3.38Å; A533-I537 PolarHBondContact O-N 3.07Å; A533-I537 VanDerWaalsContact O-N 3.08Å; Y534-I537 WeakPolarHBondContact O-CB 3.23Å; Y534-I537 PolarHBondContact O-N 2.69Å; Y534-I537 VanDerWaalsContact O-N 3.13Å; T535-I537 PolarHBondContact O-N 3.35Å; I537-L539 VanDerWaalsContact C-N 3.32Å; I537-L539 PolarHBondContact O-N 2.83Å; I537-I540 WeakPolarHBondContact O-CB 3.09Å; I537-I540 PolarHBondContact O-N 3Å; I537-L541 HydrophobicContact CG2-CD1 4.24Å; I537-L541 WeakPolarHBondContact O-CG 3.42Å; I537-L541 PolarHBondContact O-N 2.92Å
538L94.4Very high91.3Very high25 Ų2534.1 Ų34.113%0.13119%0.19CC..Hα-helixtrans-59.7-44175.7-174.964.3000111.2Y534 T535 T536 I540 L541 F542 C636 V640 L641Y534-L538 PolarHBondContact O-N 2.81Å; T535-L538 WeakPolarHBondContact O-CB 3.42Å; T535-L538 PolarHBondContact O-N 2.87Å; T536-L538 VanDerWaalsContact C-N 3.35Å; L538-I540 PolarHBondContact O-N 3.39Å; L538-L541 WeakPolarHBondContact O-CB 3.48Å; L538-L541 PolarHBondContact O-N 3.48Å; L538-F542 HydrophobicContact CD1-CD1 4.21Å; L538-F542 HydrophobicContact CD1-CE1 3.63Å; L538-F542 HydrophobicContact CD1-CZ 3.99Å; L538-F542 HydrophobicContact CD2-CZ 4.3Å; L538-F542 HydrophobicContact CG-CD1 4.45Å; L538-F542 HydrophobicContact CG-CE1 4.03Å; L538-F542 HydrophobicContact CG-CE2 4.44Å; L538-F542 HydrophobicContact CG-CZ 4.02Å; L538-F542 WeakPolarHBondContact O-CD1 3.37Å; L538-F542 WeakPolarHBondContact O-CG 3.25Å; L538-F542 PolarHBondContact O-N 3.45Å; L538-C636 HydrophobicContact CD1-CB 4Å; L538-V640 HydrophobicContact CB-CG1 4.15Å; L538-V640 HydrophobicContact CD1-CG1 4.17Å; L538-L641 HydrophobicContact CD2-CD2 4.35Å
539L94.7Very high91.8Very high88 Ų8829.6 Ų29.646%0.46117%0.166SC..Hα-helixtrans-64.3-36.4175.3-67.6174.2000112.9T535 T536 I537 F542 Y543 F598T535-L539 WeakPolarHBondContact O-CG 3.38Å; T535-L539 PolarHBondContact O-N 3.25Å; T536-L539 PolarHBondContact O-N 3.13Å; I537-L539 VanDerWaalsContact C-N 3.32Å; I537-L539 PolarHBondContact O-N 2.83Å; L539-F542 PolarHBondContact O-N 3.01Å; L539-Y543 WeakPolarHBondContact O-CB 3.34Å; L539-Y543 PolarHBondContact O-N 3.23Å; L539-F598 HydrophobicContact CD2-CE1 4.28Å
540I95.2Very high92.5Very high14 Ų1426.9 Ų26.97%0.07215%0.148CC..Hα-helixtrans-61.8-45.1172.9-75.6167000110.5P157 L160 L161 L169 T536 I537 L538 Y543 I544P157-I540 HydrophobicContact CB-CB 4.28Å; P157-I540 HydrophobicContact CB-CG1 3.9Å; P157-I540 HydrophobicContact CB-CG2 3.99Å; L160-I540 HydrophobicContact CB-CD1 4.48Å; L160-I540 HydrophobicContact CD1-CD1 4.24Å; L160-I540 HydrophobicContact CD1-CG1 4.45Å; L161-I540 HydrophobicContact CD2-CD1 4.23Å; L169-I540 HydrophobicContact CD1-CD1 4.27Å; L169-I540 HydrophobicContact CD2-CD1 3.85Å; L169-I540 HydrophobicContact CG-CD1 4.47Å; T536-I540 HydrophobicContact CG2-CD1 4.23Å; T536-I540 VanDerWaalsContact O-CG1 3.32Å; T536-I540 WeakPolarHBondContact O-CG1 3.48Å; T536-I540 PolarHBondContact O-N 2.99Å; I537-I540 WeakPolarHBondContact O-CB 3.09Å; I537-I540 PolarHBondContact O-N 3Å; L538-I540 PolarHBondContact O-N 3.39Å; I540-Y543 WeakPolarHBondContact O-CB 3.13Å; I540-Y543 PolarHBondContact O-N 2.01Å; I540-I544 HydrophobicContact CG2-CD1 3.91Å; I540-I544 WeakPolarHBondContact O-CG1 3.45Å; I540-I544 PolarHBondContact O-N 2.92Å
541L95.7Very high93.2Very high27 Ų2730 Ų3014%0.14116%0.162CC..Hα-helixtrans-63.7-44176.5-69.8169000111.1I537 L538 Y543 I544 F545 I635 V640I537-L541 HydrophobicContact CG2-CD1 4.24Å; I537-L541 WeakPolarHBondContact O-CG 3.42Å; I537-L541 PolarHBondContact O-N 2.92Å; L538-L541 WeakPolarHBondContact O-CB 3.48Å; L538-L541 PolarHBondContact O-N 3.48Å; L541-Y543 VanDerWaalsContact C-N 3.29Å; L541-Y543 PolarHBondContact O-N 3.41Å; L541-I544 PolarHBondContact O-N 3.35Å; L541-F545 HydrophobicContact CB-CD2 4.3Å; L541-F545 HydrophobicContact CB-CE2 4.24Å; L541-F545 HydrophobicContact CD2-CE2 4.43Å; L541-F545 WeakPolarHBondContact O-CD2 3.35Å; L541-F545 PolarHBondContact O-N 2.96Å; L541-I635 HydrophobicContact CD1-CG2 3.73Å; L541-I635 HydrophobicContact CD2-CG2 3.99Å; L541-I635 HydrophobicContact CG-CG2 4.5Å; L541-V640 HydrophobicContact CD1-CG2 3.51Å
542F96.6Very high93.6Very high7 Ų733.6 Ų33.63%0.03118%0.181CC..Hα-helixtrans-60.1-40175.6-75.87.4000111.9L538 L539 S546 F598 L601 F602 T605 C636L538-F542 HydrophobicContact CD1-CD1 4.21Å; L538-F542 HydrophobicContact CD1-CE1 3.63Å; L538-F542 HydrophobicContact CD1-CZ 3.99Å; L538-F542 HydrophobicContact CD2-CZ 4.3Å; L538-F542 HydrophobicContact CG-CD1 4.45Å; L538-F542 HydrophobicContact CG-CE1 4.03Å; L538-F542 HydrophobicContact CG-CE2 4.44Å; L538-F542 HydrophobicContact CG-CZ 4.02Å; L538-F542 WeakPolarHBondContact O-CD1 3.37Å; L538-F542 WeakPolarHBondContact O-CG 3.25Å; L538-F542 PolarHBondContact O-N 3.45Å; L539-F542 PolarHBondContact O-N 3.01Å; F542-S546 WeakPolarHBondContact O-CB 3.46Å; F542-S546 PolarHBondContact O-N 3.18Å; F542-F598 HydrophobicContact CB-CD1 3.9Å; F542-F598 HydrophobicContact CB-CE1 3.62Å; F542-F598 HydrophobicContact CB-CZ 4.14Å; F542-F598 HydrophobicContact CD2-CD1 4.2Å; F542-L601 HydrophobicContact CB-CD1 4.27Å; F542-L601 HydrophobicContact CD1-CB 4.18Å; F542-L601 HydrophobicContact CD2-CB 4.39Å; F542-L601 HydrophobicContact CE1-CB 4.32Å; F542-L601 HydrophobicContact CG-CB 4.21Å; F542-L601 VanDerWaalsContact O-CD1 3.29Å; F542-L601 WeakPolarHBondContact O-CD1 3.42Å; F542-F602 HydrophobicContact CE2-CB 4.09Å; F542-F602 HydrophobicContact CE2-CD2 4.46Å; F542-T605 WeakPolarHBondContact CE1-OG1 3.46Å; F542-T605 HydrophobicContact CZ-CG2 4.18Å; F542-T605 WeakPolarHBondContact CZ-OG1 3.32Å; F542-C636 HydrophobicContact CE1-CB 4.47Å
543Y96.3Very high93.8Very high15 Ų1530.7 Ų30.76%0.05916%0.162CC..Hα-helixtrans-61.6-47.2174.7-168-73.4000111.7L64 I67 R153 P157 L539 I540 L541 S546 C547 F598L64-Y543 HydrophobicContact CB-CE2 4.32Å; L64-Y543 HydrophobicContact CD2-CE2 4.07Å; L64-Y543 WeakPolarHBondContact O-CE2 3.36Å; L64-Y543 PolarHBondContact O-OH 2.76Å; I67-Y543 HydrophobicContact CB-CE2 4.3Å; I67-Y543 HydrophobicContact CD1-CE1 4.09Å; I67-Y543 HydrophobicContact CD1-CE2 4.08Å; I67-Y543 HydrophobicContact CG2-CE2 3.93Å; R153-Y543 WeakPolarHBondContact O-CE1 3.44Å; P157-Y543 HydrophobicContact CG-CD1 3.1Å; P157-Y543 HydrophobicContact CG-CD2 4.13Å; P157-Y543 HydrophobicContact CG-CE1 3.59Å; P157-Y543 HydrophobicContact CG-CG 3.4Å; P157-Y543 VanDerWaalsContact CG-CG 3.4Å; L539-Y543 WeakPolarHBondContact O-CB 3.34Å; L539-Y543 PolarHBondContact O-N 3.23Å; I540-Y543 WeakPolarHBondContact O-CB 3.13Å; I540-Y543 PolarHBondContact O-N 2.01Å; L541-Y543 VanDerWaalsContact C-N 3.29Å; L541-Y543 PolarHBondContact O-N 3.41Å; Y543-S546 PolarHBondContact O-N 3.02Å; Y543-C547 WeakPolarHBondContact CE1-SG 3.22Å; Y543-C547 PolarHBondContact O-N 3.49Å; Y543-C547 PolarHBondContact O-SG 3.43Å; Y543-C547 VanDerWaalsContact O-SG 3.32Å; Y543-F598 HydrophobicContact CD2-CE2 4.34Å; Y543-F598 HydrophobicContact CD2-CZ 4.16Å; Y543-F598 HydrophobicContact CG-CZ 4.41Å
544I95.7Very high94Very high39 Ų3931.5 Ų31.520%0.217%0.168CC..Hα-helixtrans-61.9-49.3179.4-68164.8000110.5A154 V158 I540 L541 S546 C547 I548A154-I544 HydrophobicContact CB-CG2 4.36Å; A154-I544 WeakPolarHBondContact O-CG1 3.44Å; V158-I544 HydrophobicContact CG2-CD1 4.34Å; I540-I544 HydrophobicContact CG2-CD1 3.91Å; I540-I544 WeakPolarHBondContact O-CG1 3.45Å; I540-I544 PolarHBondContact O-N 2.92Å; L541-I544 PolarHBondContact O-N 3.35Å; I544-S546 VanDerWaalsContact C-N 3.34Å; I544-S546 PolarHBondContact O-N 3.32Å; I544-C547 WeakPolarHBondContact O-CB 3.26Å; I544-C547 PolarHBondContact O-N 2.8Å; I544-I548 HydrophobicContact CG2-CD1 3.95Å; I544-I548 WeakPolarHBondContact O-CG1 3.41Å; I544-I548 PolarHBondContact O-N 3.48Å; I544-I548 VanDerWaalsContact O-N 3.08Å
545F96Very high94.1Very high16 Ų1633.8 Ų33.87%0.0718%0.179CC..Hα-helixtrans-66.2-35.5178.9-72.9-58.8000112.5L541 I548 A549 L601 F628 I631 I632 I635L541-F545 HydrophobicContact CB-CD2 4.3Å; L541-F545 HydrophobicContact CB-CE2 4.24Å; L541-F545 HydrophobicContact CD2-CE2 4.43Å; L541-F545 WeakPolarHBondContact O-CD2 3.35Å; L541-F545 PolarHBondContact O-N 2.96Å; F545-I548 PolarHBondContact O-N 3.4Å; F545-A549 WeakPolarHBondContact O-CB 3.32Å; F545-A549 PolarHBondContact O-N 3.38Å; F545-L601 HydrophobicContact CB-CD1 3.92Å; F545-L601 HydrophobicContact CB-CD2 4.01Å; F545-F628 HydrophobicContact CB-CZ 4.41Å; F545-F628 HydrophobicContact CD1-CE2 4Å; F545-F628 HydrophobicContact CD1-CZ 4.36Å; F545-I631 HydrophobicContact CE1-CG2 4.03Å; F545-I631 HydrophobicContact CZ-CG2 4.06Å; F545-I632 HydrophobicContact CB-CD1 4.37Å; F545-I632 HydrophobicContact CB-CG1 4.44Å; F545-I632 HydrophobicContact CD1-CD1 4.13Å; F545-I632 HydrophobicContact CD1-CG1 3.64Å; F545-I632 HydrophobicContact CD2-CG1 3.92Å; F545-I632 HydrophobicContact CE1-CG1 3.73Å; F545-I632 HydrophobicContact CE2-CG1 4.01Å; F545-I632 HydrophobicContact CG-CD1 4.17Å; F545-I632 HydrophobicContact CG-CG1 3.75Å; F545-I632 HydrophobicContact CZ-CG1 3.92Å; F545-I635 HydrophobicContact CZ-CD1 4.23Å
546S95.9Very high94.2Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-63.1-46.3174.1169.50000111.1F542 Y543 I544 I548 A549 M550 S597F542-S546 WeakPolarHBondContact O-CB 3.46Å; F542-S546 PolarHBondContact O-N 3.18Å; Y543-S546 PolarHBondContact O-N 3.02Å; I544-S546 VanDerWaalsContact C-N 3.34Å; I544-S546 PolarHBondContact O-N 3.32Å; S546-I548 VanDerWaalsContact C-N 3.34Å; S546-I548 PolarHBondContact O-N 2.99Å; S546-A549 PolarHBondContact O-N 3.31Å; S546-M550 WeakPolarHBondContact O-CB 2.98Å; S546-M550 VanDerWaalsContact O-CG 3.23Å; S546-M550 WeakPolarHBondContact O-CG 3.48Å; S546-M550 PolarHBondContact O-N 3.08Å; S546-S597 WeakPolarHBondContact OG-CB 3.27Å; S546-S597 PolarHBondContact OG-OG 3.27Å
547C94.4Very high94.2Very high5 Ų530 Ų303%0.03415%0.154CC..Hα-helixtrans-55.7-49.4174.2-71.20000111.5I67 R153 A154 Y543 I544 E551I67-C547 VanDerWaalsContact CD1-SG 3.55Å; R153-C547 HydrophobicContact CB-CB 4.35Å; A154-C547 HydrophobicContact CB-CB 4.05Å; Y543-C547 WeakPolarHBondContact CE1-SG 3.22Å; Y543-C547 PolarHBondContact O-N 3.49Å; Y543-C547 PolarHBondContact O-SG 3.43Å; Y543-C547 VanDerWaalsContact O-SG 3.32Å; I544-C547 WeakPolarHBondContact O-CB 3.26Å; I544-C547 PolarHBondContact O-N 2.8Å; C547-E551 WeakPolarHBondContact O-CG 3.3Å; C547-E551 PolarHBondContact O-N 3.13Å
548I94.2Very high94.1Very high69 Ų6933.1 Ų33.135%0.35417%0.168SC..Hα-helixtrans-63.8-45.4-180-64.8166.7000110.7I544 F545 S546 M550 E551 L552 F628I544-I548 HydrophobicContact CG2-CD1 3.95Å; I544-I548 WeakPolarHBondContact O-CG1 3.41Å; I544-I548 PolarHBondContact O-N 3.48Å; I544-I548 VanDerWaalsContact O-N 3.08Å; F545-I548 PolarHBondContact O-N 3.4Å; S546-I548 VanDerWaalsContact C-N 3.34Å; S546-I548 PolarHBondContact O-N 2.99Å; I548-M550 PolarHBondContact O-N 3.31Å; I548-E551 PolarHBondContact O-N 2.9Å; I548-L552 HydrophobicContact CG2-CD1 3.67Å; I548-L552 HydrophobicContact CG2-CG 4.31Å; I548-L552 WeakPolarHBondContact O-CB 3.42Å; I548-L552 VanDerWaalsContact O-CG 3.29Å; I548-L552 WeakPolarHBondContact O-CG 3.09Å; I548-L552 PolarHBondContact O-N 3.28Å; I548-F628 HydrophobicContact CB-CE2 4.4Å; I548-F628 HydrophobicContact CG2-CD2 4.38Å; I548-F628 HydrophobicContact CG2-CE2 3.94Å
549A94.8Very high94Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-66.3-37.9-177.200000112.8F545 S546 L552 F553 F591 F628F545-A549 WeakPolarHBondContact O-CB 3.32Å; F545-A549 PolarHBondContact O-N 3.38Å; S546-A549 PolarHBondContact O-N 3.31Å; A549-L552 PolarHBondContact O-N 2.87Å; A549-F553 HydrophobicContact CB-CD2 4.16Å; A549-F553 WeakPolarHBondContact O-CA 3.01Å; A549-F553 VanDerWaalsContact O-CB 3.26Å; A549-F553 WeakPolarHBondContact O-CB 3.48Å; A549-F553 PolarHBondContact O-N 3.25Å; A549-F591 HydrophobicContact CB-CB 4.14Å; A549-F591 HydrophobicContact CB-CD1 3.37Å; A549-F591 HydrophobicContact CB-CD2 3.8Å; A549-F591 HydrophobicContact CB-CE1 3.6Å; A549-F591 HydrophobicContact CB-CE2 4.01Å; A549-F591 HydrophobicContact CB-CG 3.52Å; A549-F591 HydrophobicContact CB-CZ 3.92Å; A549-F628 HydrophobicContact CB-CE1 4.19Å; A549-F628 HydrophobicContact CB-CE2 4.46Å; A549-F628 HydrophobicContact CB-CZ 3.68Å
550M93.6Very high93.8Very high4 Ų431 Ų312%0.0216%0.161CC..Hα-helixtrans-64.6-42.4176.3-73.9-172.9-59.700111.2I67 P72 S546 I548 L552 A554 F591 S593 P594 S597I67-M550 HydrophobicContact CD1-CE 3.62Å; I67-M550 HydrophobicContact CG1-CE 4.05Å; P72-M550 HydrophobicContact CG-CB 3.77Å; P72-M550 HydrophobicContact CG-CG 4.19Å; P72-M550 HydrophobicContact CG-SD 4.06Å; S546-M550 WeakPolarHBondContact O-CB 2.98Å; S546-M550 VanDerWaalsContact O-CG 3.23Å; S546-M550 WeakPolarHBondContact O-CG 3.48Å; S546-M550 PolarHBondContact O-N 3.08Å; I548-M550 PolarHBondContact O-N 3.31Å; M550-L552 VanDerWaalsContact C-N 3.32Å; M550-L552 PolarHBondContact O-N 3.26Å; M550-A554 WeakPolarHBondContact O-CB 3.12Å; M550-A554 PolarHBondContact O-N 3.3Å; M550-F591 WeakPolarHBondContact CG-O 3.36Å; M550-S593 VanDerWaalsContact SD-C 3.57Å; M550-P594 HydrophobicContact CE-CG 4.11Å; M550-P594 HydrophobicContact SD-CB 4.42Å; M550-P594 VanDerWaalsContact SD-CD 3.55Å; M550-P594 HydrophobicContact SD-CG 3.85Å; M550-P594 VanDerWaalsContact SD-N 3.44Å; M550-S597 WeakPolarHBondContact CG-OG 3.21Å
551E91.2Very high93.4Very high72 Ų7237.7 Ų37.734%0.33620%0.196SC..Hα-helixtrans-68.1-32176.9-60.8-63.8162.200112.4V149 R153 C547 I548V149-E551 HydrophobicContact CG1-CG 4.39Å; R153-E551 IonicContact CZ-OE1 3.5Å; R153-E551 IonicContact NH1-OE1 2.79Å; R153-E551 PolarHBondContact NH1-OE1 3.14Å; C547-E551 WeakPolarHBondContact O-CG 3.3Å; C547-E551 PolarHBondContact O-N 3.13Å; I548-E551 PolarHBondContact O-N 2.9Å
552L91.6Very high93Very high104 Ų10443.3 Ų43.355%0.54523%0.226SC..Hα-helixtrans-85.8-33.3-179.8-67.9177.9000114I548 A549 M550I548-L552 HydrophobicContact CG2-CD1 3.67Å; I548-L552 HydrophobicContact CG2-CG 4.31Å; I548-L552 WeakPolarHBondContact O-CB 3.42Å; I548-L552 VanDerWaalsContact O-CG 3.29Å; I548-L552 WeakPolarHBondContact O-CG 3.09Å; I548-L552 PolarHBondContact O-N 3.28Å; A549-L552 PolarHBondContact O-N 2.87Å; M550-L552 VanDerWaalsContact C-N 3.32Å; M550-L552 PolarHBondContact O-N 3.26Å
553F94.1Very high92.6Very high13 Ų1350.2 Ų50.26%0.05725%0.253CS..Hα-helixtrans-133.83.9-161.9-51.7-59.3000115.7A549 F555 I556 F591 Y617 T621 F628A549-F553 HydrophobicContact CB-CD2 4.16Å; A549-F553 WeakPolarHBondContact O-CA 3.01Å; A549-F553 VanDerWaalsContact O-CB 3.26Å; A549-F553 WeakPolarHBondContact O-CB 3.48Å; A549-F553 PolarHBondContact O-N 3.25Å; F553-F555 PolarHBondContact O-N 3.45Å; F553-I556 HydrophobicContact CB-CD1 4.11Å; F553-I556 HydrophobicContact CD1-CD1 3.91Å; F553-I556 WeakPolarHBondContact O-CG1 3.29Å; F553-F591 HydrophobicContact CB-CB 4.25Å; F553-F591 HydrophobicContact CB-CD2 3.97Å; F553-F591 AromaticContact CD2-CD2 3.9Å; F553-F591 HydrophobicContact CD2-CD2 3.9Å; F553-F591 HydrophobicContact CD2-CE2 4.21Å; F553-F591 HydrophobicContact CG-CD2 4.34Å; F553-Y617 HydrophobicContact CB-CD1 4.14Å; F553-Y617 HydrophobicContact CB-CE1 3.69Å; F553-Y617 AromaticContact CD1-CD1 3.93Å; F553-Y617 HydrophobicContact CD1-CD1 3.93Å; F553-Y617 HydrophobicContact CD1-CE1 4.36Å; F553-Y617 HydrophobicContact CE1-CD1 4.48Å; F553-Y617 AromaticContact CG-CD1 3.99Å; F553-Y617 HydrophobicContact CG-CD1 3.99Å; F553-Y617 AromaticContact CG-CE1 3.99Å; F553-Y617 HydrophobicContact CG-CE1 3.99Å; F553-T621 HydrophobicContact CD1-CG2 4Å; F553-T621 HydrophobicContact CE1-CG2 4.09Å; F553-F628 AromaticContact CE2-CD1 3.75Å; F553-F628 HydrophobicContact CE2-CD1 3.75Å; F553-F628 HydrophobicContact CE2-CE1 4.03Å; F553-F628 HydrophobicContact CE2-CG 4.03Å; F553-F628 HydrophobicContact CZ-CD1 4.46Å
554A91.5Very high92.3Very high28 Ų2854.8 Ų54.823%0.23128%0.279CS..THydrogen-bonded Turntrans-62.2136.6177.300000111.9P72 M550 I556P72-A554 HydrophobicContact CB-CB 4.33Å; P72-A554 HydrophobicContact CG-CB 4.05Å; M550-A554 WeakPolarHBondContact O-CB 3.12Å; M550-A554 PolarHBondContact O-N 3.3Å; A554-I556 PolarHBondContact O-N 3.16Å; A554-I556 VanDerWaalsContact O-N 3.11Å
555F91.7Very high92Very high63 Ų6354.8 Ų54.828%0.27628%0.276SS..THydrogen-bonded Turntrans58.217.9176.1-53.2-65.2000116.1Y71 P72 W76 F553 Y557 Q558 N592Y71-F555 HydrophobicContact CE2-CE2 4.08Å; P72-F555 HydrophobicContact CB-CE2 3.89Å; P72-F555 HydrophobicContact CB-CZ 4.3Å; W76-F555 HydrophobicContact CH2-CZ 4.43Å; W76-F555 AromaticContact CZ2-CZ 3.91Å; W76-F555 HydrophobicContact CZ2-CZ 3.91Å; F553-F555 PolarHBondContact O-N 3.45Å; F555-Y557 PolarHBondContact O-N 3.05Å; F555-Q558 HydrophobicContact CD1-CG 4.43Å; F555-N592 VanDerWaalsContact CA-OD1 3.29Å; F555-N592 WeakPolarHBondContact CA-OD1 3.22Å; F555-N592 HydrophobicContact CD1-CB 3.94Å; F555-N592 HydrophobicContact CE1-CB 3.7Å; F555-N592 HydrophobicContact CZ-CB 4.29Å; F555-N592 PolarHBondContact N-OD1 3.21Å
556I93.1Very high91.6Very high35 Ų3557.8 Ų57.818%0.17930%0.297CS..SBendtrans-62.7-34.5173.9-70.6-166.3000112F553 A554 N573 V620 T621F553-I556 HydrophobicContact CB-CD1 4.11Å; F553-I556 HydrophobicContact CD1-CD1 3.91Å; F553-I556 WeakPolarHBondContact O-CG1 3.29Å; A554-I556 PolarHBondContact O-N 3.16Å; A554-I556 VanDerWaalsContact O-N 3.11Å; I556-N573 PolarHBondContact O-ND2 3.13Å; I556-N573 VanDerWaalsContact O-ND2 3.17Å; I556-V620 HydrophobicContact CG2-CB 3.62Å; I556-V620 HydrophobicContact CG2-CG1 3.14Å; I556-V620 HydrophobicContact CG2-CG2 4.3Å; I556-T621 HydrophobicContact CD1-CG2 3.37Å; I556-T621 HydrophobicContact CG2-CG2 4.5Å
557Y93.7Very high91.1Very high2 Ų264.4 Ų64.41%0.00833%0.331CS..SBendtrans-146.1160.4168.661.6-96.5000109.9F555 C571 L576 F581 C587 F589 N590 N592 Y617F555-Y557 PolarHBondContact O-N 3.05Å; Y557-C571 VanDerWaalsContact CA-O 3.3Å; Y557-C571 WeakPolarHBondContact CA-O 3.11Å; Y557-C571 VanDerWaalsContact CB-O 3.31Å; Y557-C571 WeakPolarHBondContact CB-O 3.46Å; Y557-L576 HydrophobicContact CD1-CD1 4.33Å; Y557-L576 HydrophobicContact CG-CD1 4.14Å; Y557-F581 HydrophobicContact CD2-CE1 4.29Å; Y557-F581 HydrophobicContact CE1-CE1 4.46Å; Y557-F581 HydrophobicContact CE1-CZ 4.25Å; Y557-F581 AromaticContact CE2-CE1 3.93Å; Y557-F581 HydrophobicContact CE2-CE1 3.93Å; Y557-F581 AromaticContact CE2-CZ 3.75Å; Y557-F581 HydrophobicContact CE2-CZ 3.75Å; Y557-F581 AromaticContact CZ-CZ 3.58Å; Y557-F581 WeakPolarHBondContact OH-CZ 3.44Å; Y557-C587 HydrophobicContact CD2-CB 4.26Å; Y557-F589 PolarHBondContact OH-O 3.23Å; Y557-N590 HydrophobicContact CD2-CB 4.34Å; Y557-N590 HydrophobicContact CE2-CB 3.62Å; Y557-N592 PolarHBondContact O-ND2 3.09Å; Y557-N592 VanDerWaalsContact O-ND2 3.16Å; Y557-Y617 HydrophobicContact CE1-CD1 4.12Å; Y557-Y617 AromaticContact CE1-CE1 3.59Å; Y557-Y617 HydrophobicContact CE1-CE1 3.59Å; Y557-Y617 HydrophobicContact CE1-CE2 4.13Å; Y557-Y617 AromaticContact CE1-CZ 3.62Å; Y557-Y617 AromaticContact CZ-CZ 3.77Å; Y557-Y617 VanDerWaalsContact OH-CE2 3.3Å; Y557-Y617 WeakPolarHBondContact OH-CE2 3.36Å; Y557-Y617 PolarHBondContact OH-OH 3.48Å
558Q91.8Very high90.8Very high70 Ų7069.6 Ų69.633%0.32736%0.358SS..  trans-139.5146.1-180-71.2173.1-36.400110.2F555 C571 N572F555-Q558 HydrophobicContact CD1-CG 4.43Å; Q558-C571 PolarHBondContact N-O 2.71Å; Q558-C571 CarbonylContact O-C 3.52Å; Q558-C571 WeakPolarHBondContact O-CA 3.33Å; Q558-C571 VanDerWaalsContact O-CB 3.26Å; Q558-C571 WeakPolarHBondContact O-CB 3.4Å; Q558-N572 HydrophobicContact CB-CB 4.33Å; Q558-N572 PolarHBondContact OE1-ND2 2.77Å
559P91.9Very high90.5Very high42 Ų4266.9 Ų66.927%0.27335%0.345SS..PPolyproline II helixtrans-62.1146.5173.927-33.5000110.5Y563P559-Y563 HydrophobicContact CB-CD1 4.31Å; P559-Y563 HydrophobicContact CB-CE1 4.22Å
560P91.2Very high90.2Very high27 Ų2769.1 Ų69.118%0.17536%0.359CS..PPolyproline II helixtrans-64.1153.3176.228.5-34.7000111N562 Y563 Y565 T569P560-N562 PolarHBondContact O-N 3.49Å; P560-Y563 PolarHBondContact O-N 3.42Å; P560-Y565 HydrophobicContact CG-CD1 4.05Å; P560-Y565 HydrophobicContact CG-CD2 4.01Å; P560-Y565 HydrophobicContact CG-CE1 3.98Å; P560-Y565 HydrophobicContact CG-CE2 3.95Å; P560-Y565 HydrophobicContact CG-CG 4.05Å; P560-T569 HydrophobicContact CB-CG2 4.14Å; P560-T569 HydrophobicContact CG-CG2 4.02Å
561L87.2Confident90Very high154 Ų15469 Ų6981%0.80636%0.359SS*.G310 helixtrans-54.3134.6176.2-129.595.5000110.3Y563 N564L561-Y563 PolarHBondContact O-N 2.68Å; L561-Y563 VanDerWaalsContact O-N 3.1Å; L561-N564 PolarHBondContact O-N 3.2Å
562N86.5Confident89.9Confident144 Ų14471.2 Ų71.277%0.7737%0.373SS*.G310 helixtrans55.820.1-177-58.3-23.2000115.1P560 N564P560-N562 PolarHBondContact O-N 3.49Å; N562-N564 PolarHBondContact O-N 3.15Å; N562-N564 VanDerWaalsContact O-N 3.17Å
563Y88.1Confident89.9Confident152 Ų15267.8 Ų67.860%0.59636%0.355SS*.G310 helixtrans55.430.8-176.8-49.3-81.2000112.9P559 P560 L561 Y565 T588P559-Y563 HydrophobicContact CB-CD1 4.31Å; P559-Y563 HydrophobicContact CB-CE1 4.22Å; P560-Y563 PolarHBondContact O-N 3.42Å; L561-Y563 PolarHBondContact O-N 2.68Å; L561-Y563 VanDerWaalsContact O-N 3.1Å; Y563-Y565 WeakPolarHBondContact O-CD2 3.42Å; Y563-Y565 PolarHBondContact O-N 3.19Å; Y563-T588 HydrophobicContact CE1-CG2 4.11Å
564N89.4Confident89.8Confident112 Ų11275.7 Ų75.760%0.59939%0.389SS*.  trans-83.599.2178.3-166.82.6000110L561 N562L561-N564 PolarHBondContact O-N 3.2Å; N562-N564 PolarHBondContact O-N 3.15Å; N562-N564 VanDerWaalsContact O-N 3.17Å
565Y89.8Confident89.7Confident38 Ų3882.6 Ų82.615%0.14941%0.411CS..  trans-95.6128.7178.9-70.7-98.4000110.5P560 Y563 T569 V582 H585 C587 T588P560-Y565 HydrophobicContact CG-CD1 4.05Å; P560-Y565 HydrophobicContact CG-CD2 4.01Å; P560-Y565 HydrophobicContact CG-CE1 3.98Å; P560-Y565 HydrophobicContact CG-CE2 3.95Å; P560-Y565 HydrophobicContact CG-CG 4.05Å; Y563-Y565 WeakPolarHBondContact O-CD2 3.42Å; Y563-Y565 PolarHBondContact O-N 3.19Å; Y565-T569 HydrophobicContact CD1-CG2 3.93Å; Y565-T569 HydrophobicContact CE1-CG2 4.46Å; Y565-V582 HydrophobicContact CD1-CG1 4.34Å; Y565-H585 WeakPolarHBondContact CB-CE1 3.29Å; Y565-H585 WeakPolarHBondContact CB-ND1 3.38Å; Y565-H585 AromaticContact CD1-ND1 3.37Å; Y565-H585 WeakPolarHBondContact CD1-ND1 3Å; Y565-H585 HydrophobicContact CD2-CB 4.24Å; Y565-H585 AromaticContact CD2-CE1 3.81Å; Y565-H585 AromaticContact CD2-CG 3.93Å; Y565-H585 AromaticContact CD2-ND1 2.98Å; Y565-H585 WeakPolarHBondContact CD2-ND1 3.24Å; Y565-H585 HydrophobicContact CE1-CB 4.18Å; Y565-H585 AromaticContact CE1-ND1 3.88Å; Y565-H585 HydrophobicContact CE2-CB 3.87Å; Y565-H585 AromaticContact CE2-ND1 3.54Å; Y565-H585 AromaticContact CG-CE1 3.57Å; Y565-H585 AromaticContact CG-ND1 2.9Å; Y565-H585 AromaticContact CZ-ND1 3.96Å; Y565-H585 PolarHBondContact OH-O 2.92Å; Y565-C587 HydrophobicContact CE1-CB 4.22Å; Y565-T588 PolarHBondContact OH-OG1 2.89Å
566T88Confident89.7Confident80 Ų8079.6 Ų79.649%0.49140%0.397SS..  trans-126.2167.3177.465.50000108.7N568 T569T566-N568 PolarHBondContact O-N 3.08Å; T566-N568 PolarHBondContact OG1-N 2.7Å; T566-T569 PolarHBondContact N-OG1 3.3Å; T566-T569 WeakPolarHBondContact O-CB 3.37Å; T566-T569 PolarHBondContact O-N 3.32Å; T566-T569 PolarHBondContact O-OG1 3.23Å; T566-T569 PolarHBondContact OG1-N 2.96Å; T566-T569 PolarHBondContact OG1-OG1 3.16Å; T566-T569 VanDerWaalsContact OG1-OG1 3.13Å
567L84.9Confident89.6Confident139 Ų13981.6 Ų81.673%0.72841%0.408SS*.THydrogen-bonded Turntrans-57.8-21.6176.7-152.689.6000113.3
568N87.9Confident89.2Confident113 Ų11389.3 Ų89.360%0.60444%0.437SS*.THydrogen-bonded Turntrans-101.99.1-179.9-65.4-19.2000113.1T566 T570T566-N568 PolarHBondContact O-N 3.08Å; T566-N568 PolarHBondContact OG1-N 2.7Å; N568-T570 PolarHBondContact O-N 3.41Å
569T89.3Confident89.1Confident13 Ų1386.7 Ų86.78%0.0843%0.426CS..  trans-68.9132.9177.9-66.20000110.3P560 Y565 T566 V582P560-T569 HydrophobicContact CB-CG2 4.14Å; P560-T569 HydrophobicContact CG-CG2 4.02Å; Y565-T569 HydrophobicContact CD1-CG2 3.93Å; Y565-T569 HydrophobicContact CE1-CG2 4.46Å; T566-T569 PolarHBondContact N-OG1 3.3Å; T566-T569 WeakPolarHBondContact O-CB 3.37Å; T566-T569 PolarHBondContact O-N 3.32Å; T566-T569 PolarHBondContact O-OG1 3.23Å; T566-T569 PolarHBondContact OG1-N 2.96Å; T566-T569 PolarHBondContact OG1-OG1 3.16Å; T566-T569 VanDerWaalsContact OG1-OG1 3.13Å; T569-V582 HydrophobicContact CG2-CG1 4.25Å
570T87.8Confident88.9Confident46 Ų4687.9 Ų87.928%0.28243%0.428SS..  trans-117.7-2.1-177.555.70000113.2N568 N572 N573 L577N568-T570 PolarHBondContact O-N 3.41Å; T570-N572 PolarHBondContact O-N 2.99Å; T570-N573 WeakPolarHBondContact CB-O 3.15Å; T570-N573 CarbonylContact O-C 3.59Å; T570-N573 WeakPolarHBondContact O-CA 3.28Å; T570-N573 PolarHBondContact O-N 3.2Å; T570-L577 HydrophobicContact CG2-CB 4.11Å; T570-L577 HydrophobicContact CG2-CD1 3.89Å
571C90Very high89Confident3 Ų386.6 Ų86.62%0.0242%0.42CS..THydrogen-bonded Turntrans50.941-177.8-57.70000113.7Y557 Q558 N573 L576 C587Y557-C571 VanDerWaalsContact CA-O 3.3Å; Y557-C571 WeakPolarHBondContact CA-O 3.11Å; Y557-C571 VanDerWaalsContact CB-O 3.31Å; Y557-C571 WeakPolarHBondContact CB-O 3.46Å; Q558-C571 PolarHBondContact N-O 2.71Å; Q558-C571 CarbonylContact O-C 3.52Å; Q558-C571 WeakPolarHBondContact O-CA 3.33Å; Q558-C571 VanDerWaalsContact O-CB 3.26Å; Q558-C571 WeakPolarHBondContact O-CB 3.4Å; C571-N573 PolarHBondContact O-N 3.06Å; C571-L576 HydrophobicContact CB-CD1 4.29Å; C571-C587 HydrophobicContact CB-CB 3.65Å; C571-C587 WeakPolarHBondContact CB-SG 3.44Å; C571-C587 WeakPolarHBondContact SG-CB 3.44Å; C571-C587 CovalentContact SG-SG 2.01Å; C571-C587 PolarHBondContact SG-SG 3.19Å
572N89.8Confident89.3Confident118 Ų11879.7 Ų79.763%0.63138%0.384SS*.THydrogen-bonded Turntrans62.816.6-173.9-155.314.5000115Q558 T570Q558-N572 HydrophobicContact CB-CB 4.33Å; Q558-N572 PolarHBondContact OE1-ND2 2.77Å; T570-N572 PolarHBondContact O-N 2.99Å
573N90.4Very high89.4Confident31 Ų3178.5 Ų78.517%0.16637%0.374CS..  trans-142115.9175.9-157.2-54.4000112.9I556 T570 C571 Y575 L576 V620I556-N573 PolarHBondContact O-ND2 3.13Å; I556-N573 VanDerWaalsContact O-ND2 3.17Å; T570-N573 WeakPolarHBondContact CB-O 3.15Å; T570-N573 CarbonylContact O-C 3.59Å; T570-N573 WeakPolarHBondContact O-CA 3.28Å; T570-N573 PolarHBondContact O-N 3.2Å; C571-N573 PolarHBondContact O-N 3.06Å; N573-Y575 PolarHBondContact O-N 2.96Å; N573-Y575 VanDerWaalsContact O-N 3.11Å; N573-Y575 WeakPolarHBondContact OD1-CD2 3.43Å; N573-Y575 PolarHBondContact OD1-N 3.36Å; N573-L576 HydrophobicContact CB-CD1 4.17Å; N573-L576 HydrophobicContact CB-CG 4.4Å; N573-L576 PolarHBondContact O-N 3.34Å; N573-L576 VanDerWaalsContact O-N 3.09Å; N573-V620 WeakPolarHBondContact ND2-CG1 3.47Å
574K91.5Very high89.6Confident179 Ų17978.7 Ų78.778%0.77837%0.374SS*.G310 helixtrans-59.7-28.3-175.3-64.3-178.9-177.7177.50113.4L576 L577K574-L576 PolarHBondContact O-N 3.36Å; K574-L577 WeakPolarHBondContact O-CB 3.23Å; K574-L577 PolarHBondContact O-N 3.36Å
575Y90.7Very high89.8Confident174 Ų17478 Ų7868%0.68237%0.367SS*.G310 helixtrans-67.3-23.3-179.8-62-63.5000113.3N573 L577 I619N573-Y575 PolarHBondContact O-N 2.96Å; N573-Y575 VanDerWaalsContact O-N 3.11Å; N573-Y575 WeakPolarHBondContact OD1-CD2 3.43Å; N573-Y575 PolarHBondContact OD1-N 3.36Å; Y575-L577 VanDerWaalsContact C-N 3.3Å; Y575-L577 PolarHBondContact O-N 2.83Å; Y575-I619 VanDerWaalsContact O-CG2 3.3Å; Y575-I619 WeakPolarHBondContact O-CG2 3.36Å
576L91.1Very high90Very high0 Ų077.9 Ų77.90%037%0.366CS..G310 helixtrans-82.8-4.6-179.7-69.4175.4000113.8Y557 C571 N573 K574 R578 S579 F581 V582 I619 V620Y557-L576 HydrophobicContact CD1-CD1 4.33Å; Y557-L576 HydrophobicContact CG-CD1 4.14Å; C571-L576 HydrophobicContact CB-CD1 4.29Å; N573-L576 HydrophobicContact CB-CD1 4.17Å; N573-L576 HydrophobicContact CB-CG 4.4Å; N573-L576 PolarHBondContact O-N 3.34Å; N573-L576 VanDerWaalsContact O-N 3.09Å; K574-L576 PolarHBondContact O-N 3.36Å; L576-R578 PolarHBondContact O-N 3.13Å; L576-S579 WeakPolarHBondContact O-CB 3.5Å; L576-S579 PolarHBondContact O-N 3.11Å; L576-S579 PolarHBondContact O-OG 3.34Å; L576-F581 HydrophobicContact CD2-CD1 4.37Å; L576-V582 HydrophobicContact CB-CG2 3.81Å; L576-V582 VanDerWaalsContact O-CG2 3.31Å; L576-V582 WeakPolarHBondContact O-CG2 3.44Å; L576-I619 HydrophobicContact CD2-CB 4.27Å; L576-I619 HydrophobicContact CD2-CD1 4.34Å; L576-I619 HydrophobicContact CD2-CG2 4.08Å; L576-V620 HydrophobicContact CD1-CG2 3.93Å; L576-V620 HydrophobicContact CD2-CG2 3.69Å; L576-V620 HydrophobicContact CG-CG2 3.6Å
577L90Very high90.2Very high76 Ų7674 Ų7440%0.39834%0.343SS..THydrogen-bonded Turntrans-53.8125.9-178.2-178.364.4000110.9T570 K574 Y575 S579T570-L577 HydrophobicContact CG2-CB 4.11Å; T570-L577 HydrophobicContact CG2-CD1 3.89Å; K574-L577 WeakPolarHBondContact O-CB 3.23Å; K574-L577 PolarHBondContact O-N 3.36Å; Y575-L577 VanDerWaalsContact C-N 3.3Å; Y575-L577 PolarHBondContact O-N 2.83Å; L577-S579 PolarHBondContact O-N 3.29Å; L577-S579 VanDerWaalsContact O-N 3.14Å
578R85.7Confident90.6Very high165 Ų16569.8 Ų69.862%0.62332%0.323SS*.THydrogen-bonded Turntrans61.89.4-179.7-61170.6-178.4-179.7-0.2115.8L576 Q583L576-R578 PolarHBondContact O-N 3.13Å; R578-Q583 PolarHBondContact O-NE2 3.44Å
579S90.1Very high90.9Very high15 Ų1567 Ų6711%0.10531%0.305CS..  trans-67.3149.2173.766.30000111.8L576 L577 F581 V582 Q583L576-S579 WeakPolarHBondContact O-CB 3.5Å; L576-S579 PolarHBondContact O-N 3.11Å; L576-S579 PolarHBondContact O-OG 3.34Å; L577-S579 PolarHBondContact O-N 3.29Å; L577-S579 VanDerWaalsContact O-N 3.14Å; S579-F581 PolarHBondContact O-N 3.02Å; S579-V582 PolarHBondContact O-N 2.97Å; S579-V582 WeakPolarHBondContact OG-CG2 3.31Å; S579-Q583 WeakPolarHBondContact O-CG 2.91Å; S579-Q583 PolarHBondContact O-N 3.41Å
580E88.3Confident91.1Very high66 Ų6666.6 Ų66.631%0.30830%0.303SS..Hα-helixtrans-55.2-36.4175.4-70172-169.200111.9N214 V582 Q583 W584N214-E580 PolarHBondContact ND2-OE1 2.78Å; E580-V582 VanDerWaalsContact C-N 3.28Å; E580-V582 PolarHBondContact O-N 2.94Å; E580-Q583 PolarHBondContact O-N 2.94Å; E580-Q583 VanDerWaalsContact O-N 3.13Å; E580-W584 PolarHBondContact O-N 3.47Å
581F92.4Very high91.5Very high0 Ų064.4 Ų64.40%029%0.289CS..Hα-helixtrans-54.1-41.9174.8-179.3-93.7000112.9Y557 L576 S579 Y586 C587 I612 F613Y557-F581 HydrophobicContact CD2-CE1 4.29Å; Y557-F581 HydrophobicContact CE1-CE1 4.46Å; Y557-F581 HydrophobicContact CE1-CZ 4.25Å; Y557-F581 AromaticContact CE2-CE1 3.93Å; Y557-F581 HydrophobicContact CE2-CE1 3.93Å; Y557-F581 AromaticContact CE2-CZ 3.75Å; Y557-F581 HydrophobicContact CE2-CZ 3.75Å; Y557-F581 AromaticContact CZ-CZ 3.58Å; Y557-F581 WeakPolarHBondContact OH-CZ 3.44Å; L576-F581 HydrophobicContact CD2-CD1 4.37Å; S579-F581 PolarHBondContact O-N 3.02Å; F581-Y586 HydrophobicContact CD2-CD2 4.14Å; F581-Y586 HydrophobicContact CD2-CG 4.46Å; F581-Y586 VanDerWaalsContact CE2-CB 3.43Å; F581-Y586 HydrophobicContact CE2-CD2 4.43Å; F581-Y586 HydrophobicContact CE2-CG 4.45Å; F581-Y586 VanDerWaalsContact CZ-C 3.49Å; F581-Y586 WeakPolarHBondContact CZ-O 3.36Å; F581-Y586 WeakPolarHBondContact O-CB 3.35Å; F581-Y586 PolarHBondContact O-N 3.07Å; F581-Y586 VanDerWaalsContact O-N 3.07Å; F581-C587 HydrophobicContact CE1-CB 4.35Å; F581-I612 HydrophobicContact CB-CG2 4.43Å; F581-F613 AromaticContact CE2-CD1 3.9Å; F581-F613 HydrophobicContact CE2-CD1 3.9Å; F581-F613 HydrophobicContact CE2-CE1 4.47Å
582V93Very high91.7Very high10 Ų1065 Ų656%0.06129%0.292CS..Hα-helixtrans-77.9-37.3177.2178.40000111.4Y565 T569 L576 S579 E580 W584 H585Y565-V582 HydrophobicContact CD1-CG1 4.34Å; T569-V582 HydrophobicContact CG2-CG1 4.25Å; L576-V582 HydrophobicContact CB-CG2 3.81Å; L576-V582 VanDerWaalsContact O-CG2 3.31Å; L576-V582 WeakPolarHBondContact O-CG2 3.44Å; S579-V582 PolarHBondContact O-N 2.97Å; S579-V582 WeakPolarHBondContact OG-CG2 3.31Å; E580-V582 VanDerWaalsContact C-N 3.28Å; E580-V582 PolarHBondContact O-N 2.94Å; V582-W584 PolarHBondContact O-N 3.32Å; V582-H585 PolarHBondContact O-N 3.07Å
583Q90.1Very high91.8Very high118 Ų11859.6 Ų59.655%0.55126%0.264SS*.Hα-helixtrans-59.4-37.3177.6-66.2177.215.400111.8R578 S579 E580 H585R578-Q583 PolarHBondContact O-NE2 3.44Å; S579-Q583 WeakPolarHBondContact O-CG 2.91Å; S579-Q583 PolarHBondContact O-N 3.41Å; E580-Q583 PolarHBondContact O-N 2.94Å; E580-Q583 VanDerWaalsContact O-N 3.13Å; Q583-H585 VanDerWaalsContact C-N 3.27Å; Q583-H585 PolarHBondContact O-N 2.68Å
584W91.3Very high92Very high156 Ų15658.2 Ų58.259%0.59126%0.257SS*.THydrogen-bonded Turntrans-84.99.9175.3-66.6112.5000114.4E580 V582 Y586E580-W584 PolarHBondContact O-N 3.47Å; V582-W584 PolarHBondContact O-N 3.32Å; W584-Y586 VanDerWaalsContact C-N 3.26Å; W584-Y586 HydrophobicContact CB-CD1 4.12Å; W584-Y586 HydrophobicContact CB-CD2 4.12Å; W584-Y586 HydrophobicContact CB-CE1 3.99Å; W584-Y586 HydrophobicContact CB-CE2 3.96Å; W584-Y586 HydrophobicContact CB-CG 4.2Å; W584-Y586 VanDerWaalsContact O-CD1 3.26Å; W584-Y586 WeakPolarHBondContact O-CD1 3.32Å; W584-Y586 PolarHBondContact O-N 2.92Å
585H92.9Very high92.1Very high99 Ų9955.3 Ų55.346%0.45824%0.244SC..THydrogen-bonded Turntrans59.428.4178.4-52.7-77.4000114.8Y565 V582 Q583 C587Y565-H585 WeakPolarHBondContact CB-CE1 3.29Å; Y565-H585 WeakPolarHBondContact CB-ND1 3.38Å; Y565-H585 AromaticContact CD1-ND1 3.37Å; Y565-H585 WeakPolarHBondContact CD1-ND1 3Å; Y565-H585 HydrophobicContact CD2-CB 4.24Å; Y565-H585 AromaticContact CD2-CE1 3.81Å; Y565-H585 AromaticContact CD2-CG 3.93Å; Y565-H585 AromaticContact CD2-ND1 2.98Å; Y565-H585 WeakPolarHBondContact CD2-ND1 3.24Å; Y565-H585 HydrophobicContact CE1-CB 4.18Å; Y565-H585 AromaticContact CE1-ND1 3.88Å; Y565-H585 HydrophobicContact CE2-CB 3.87Å; Y565-H585 AromaticContact CE2-ND1 3.54Å; Y565-H585 AromaticContact CG-CE1 3.57Å; Y565-H585 AromaticContact CG-ND1 2.9Å; Y565-H585 AromaticContact CZ-ND1 3.96Å; Y565-H585 PolarHBondContact OH-O 2.92Å; V582-H585 PolarHBondContact O-N 3.07Å; Q583-H585 VanDerWaalsContact C-N 3.27Å; Q583-H585 PolarHBondContact O-N 2.68Å; H585-C587 VanDerWaalsContact C-N 3.27Å; H585-C587 PolarHBondContact O-N 2.8Å
586Y94.3Very high92.3Very high34 Ų3449.7 Ų49.713%0.13323%0.226CC..G310 helixtrans-77.9-3.9-174.7-70.4-16.5000115.2F581 W584 T588 F589 N609 I612 F613F581-Y586 HydrophobicContact CD2-CD2 4.14Å; F581-Y586 HydrophobicContact CD2-CG 4.46Å; F581-Y586 VanDerWaalsContact CE2-CB 3.43Å; F581-Y586 HydrophobicContact CE2-CD2 4.43Å; F581-Y586 HydrophobicContact CE2-CG 4.45Å; F581-Y586 VanDerWaalsContact CZ-C 3.49Å; F581-Y586 WeakPolarHBondContact CZ-O 3.36Å; F581-Y586 WeakPolarHBondContact O-CB 3.35Å; F581-Y586 PolarHBondContact O-N 3.07Å; F581-Y586 VanDerWaalsContact O-N 3.07Å; W584-Y586 VanDerWaalsContact C-N 3.26Å; W584-Y586 HydrophobicContact CB-CD1 4.12Å; W584-Y586 HydrophobicContact CB-CD2 4.12Å; W584-Y586 HydrophobicContact CB-CE1 3.99Å; W584-Y586 HydrophobicContact CB-CE2 3.96Å; W584-Y586 HydrophobicContact CB-CG 4.2Å; W584-Y586 VanDerWaalsContact O-CD1 3.26Å; W584-Y586 WeakPolarHBondContact O-CD1 3.32Å; W584-Y586 PolarHBondContact O-N 2.92Å; Y586-T588 PolarHBondContact O-N 2.98Å; Y586-F589 HydrophobicContact CD1-CD2 4.24Å; Y586-F589 HydrophobicContact CD1-CE2 4.19Å; Y586-F589 PolarHBondContact O-N 3.42Å; Y586-N609 PolarHBondContact OH-ND2 2.94Å; Y586-N609 VanDerWaalsContact OH-ND2 3.15Å; Y586-I612 HydrophobicContact CD2-CB 4.42Å; Y586-I612 HydrophobicContact CD2-CG2 3.81Å; Y586-I612 HydrophobicContact CE2-CB 4.07Å; Y586-I612 HydrophobicContact CE2-CD1 4.32Å; Y586-I612 HydrophobicContact CE2-CG2 3.77Å; Y586-F613 HydrophobicContact CD1-CE1 4.28Å; Y586-F613 HydrophobicContact CD1-CZ 4.12Å; Y586-F613 HydrophobicContact CD2-CD1 4.34Å; Y586-F613 AromaticContact CD2-CE1 3.92Å; Y586-F613 HydrophobicContact CD2-CE1 3.92Å; Y586-F613 HydrophobicContact CD2-CE2 4.41Å; Y586-F613 AromaticContact CD2-CZ 3.97Å; Y586-F613 HydrophobicContact CD2-CZ 3.97Å; Y586-F613 HydrophobicContact CE1-CZ 4.24Å; Y586-F613 HydrophobicContact CE2-CE2 4.25Å; Y586-F613 HydrophobicContact CE2-CZ 4.12Å; Y586-F613 AromaticContact CG-CE1 3.79Å; Y586-F613 HydrophobicContact CG-CE1 3.79Å; Y586-F613 AromaticContact CG-CZ 3.98Å; Y586-F613 HydrophobicContact CG-CZ 3.98Å
587C93Very high92.5Very high0 Ų049.7 Ų49.70%023%0.226CC..G310 helixtrans-59.7-18.6177.6-55.80000114.2Y557 Y565 C571 F581 H585 F589 N590Y557-C587 HydrophobicContact CD2-CB 4.26Å; Y565-C587 HydrophobicContact CE1-CB 4.22Å; C571-C587 HydrophobicContact CB-CB 3.65Å; C571-C587 WeakPolarHBondContact CB-SG 3.44Å; C571-C587 WeakPolarHBondContact SG-CB 3.44Å; C571-C587 CovalentContact SG-SG 2.01Å; C571-C587 PolarHBondContact SG-SG 3.19Å; F581-C587 HydrophobicContact CE1-CB 4.35Å; H585-C587 VanDerWaalsContact C-N 3.27Å; H585-C587 PolarHBondContact O-N 2.8Å; C587-F589 VanDerWaalsContact C-N 3.33Å; C587-N590 PolarHBondContact O-ND2 3.05Å
588T92.6Very high92.8Very high49 Ų4948.6 Ų48.630%0.30122%0.218SC..G310 helixtrans-64.4-35.9173.9-53.30000112.3Y563 Y565 Y586 N590Y563-T588 HydrophobicContact CE1-CG2 4.11Å; Y565-T588 PolarHBondContact OH-OG1 2.89Å; Y586-T588 PolarHBondContact O-N 2.98Å; T588-N590 PolarHBondContact O-ND2 3.13Å
589F94.5Very high93.3Very high54 Ų5444.8 Ų44.824%0.23721%0.209CC..SBendtrans-91107.9-178.5-53.3-71000109.2Y557 Y586 C587 L599 L600 I603 F613Y557-F589 PolarHBondContact OH-O 3.23Å; Y586-F589 HydrophobicContact CD1-CD2 4.24Å; Y586-F589 HydrophobicContact CD1-CE2 4.19Å; Y586-F589 PolarHBondContact O-N 3.42Å; C587-F589 VanDerWaalsContact C-N 3.33Å; F589-L599 HydrophobicContact CD1-CD2 4.02Å; F589-L599 HydrophobicContact CD1-CG 4.27Å; F589-L599 HydrophobicContact CE1-CD2 4.01Å; F589-L599 HydrophobicContact CE1-CG 4.39Å; F589-L600 HydrophobicContact CB-CB 4.49Å; F589-L600 HydrophobicContact CB-CD1 3.98Å; F589-I603 HydrophobicContact CD1-CD1 3.39Å; F589-I603 HydrophobicContact CE1-CD1 3.28Å; F589-I603 HydrophobicContact CE2-CD1 4.47Å; F589-I603 HydrophobicContact CG-CD1 4.07Å; F589-I603 HydrophobicContact CZ-CD1 3.87Å; F589-F613 HydrophobicContact CB-CE1 3.87Å; F589-F613 AromaticContact CD2-CE1 3.73Å; F589-F613 HydrophobicContact CD2-CE1 3.73Å; F589-F613 AromaticContact CD2-CZ 3.93Å; F589-F613 HydrophobicContact CD2-CZ 3.93Å; F589-F613 HydrophobicContact CE2-CZ 4.48Å; F589-F613 HydrophobicContact CG-CE1 4.12Å; F589-F613 HydrophobicContact CG-CZ 4.47Å
590N94.1Very high93.6Very high6 Ų644 Ų443%0.03220%0.204CC..  trans-143.7179.6-173.157.159.5000111.5Y557 C587 T588 N592 D596 S597Y557-N590 HydrophobicContact CD2-CB 4.34Å; Y557-N590 HydrophobicContact CE2-CB 3.62Å; C587-N590 PolarHBondContact O-ND2 3.05Å; T588-N590 PolarHBondContact O-ND2 3.13Å; N590-N592 VanDerWaalsContact CG-ND2 3.27Å; N590-N592 PolarHBondContact ND2-ND2 2.91Å; N590-N592 WeakPolarHBondContact OD1-CB 3.24Å; N590-N592 PolarHBondContact OD1-N 3.04Å; N590-N592 PolarHBondContact OD1-ND2 3.38Å; N590-D596 CarbonylContact O-C 2.98Å; N590-D596 WeakPolarHBondContact O-CB 3.4Å; N590-S597 PolarHBondContact O-N 3.45Å
591F95.6Very high94Very high0 Ų040.9 Ų40.90%019%0.19CC..SBendtrans-107.133.3176.1-66.4-63.6000111.5A549 M550 F553 S593 S597 L600 L601 Y617 F628 F629A549-F591 HydrophobicContact CB-CB 4.14Å; A549-F591 HydrophobicContact CB-CD1 3.37Å; A549-F591 HydrophobicContact CB-CD2 3.8Å; A549-F591 HydrophobicContact CB-CE1 3.6Å; A549-F591 HydrophobicContact CB-CE2 4.01Å; A549-F591 HydrophobicContact CB-CG 3.52Å; A549-F591 HydrophobicContact CB-CZ 3.92Å; M550-F591 WeakPolarHBondContact CG-O 3.36Å; F553-F591 HydrophobicContact CB-CB 4.25Å; F553-F591 HydrophobicContact CB-CD2 3.97Å; F553-F591 AromaticContact CD2-CD2 3.9Å; F553-F591 HydrophobicContact CD2-CD2 3.9Å; F553-F591 HydrophobicContact CD2-CE2 4.21Å; F553-F591 HydrophobicContact CG-CD2 4.34Å; F591-S593 VanDerWaalsContact C-N 3.35Å; F591-S597 WeakPolarHBondContact CD1-OG 3.27Å; F591-L600 HydrophobicContact CD1-CD2 4.29Å; F591-L600 HydrophobicContact CD2-CD2 4Å; F591-L600 HydrophobicContact CE1-CB 4.35Å; F591-L600 HydrophobicContact CE1-CD2 3.88Å; F591-L600 HydrophobicContact CE1-CG 4.24Å; F591-L600 HydrophobicContact CE2-CD2 3.54Å; F591-L600 HydrophobicContact CE2-CG 4.46Å; F591-L600 HydrophobicContact CG-CD2 4.34Å; F591-L600 HydrophobicContact CZ-CD2 3.47Å; F591-L600 VanDerWaalsContact CZ-CD2 3.47Å; F591-L600 HydrophobicContact CZ-CG 3.94Å; F591-L601 HydrophobicContact CE1-CD2 4.32Å; F591-L601 HydrophobicContact CE1-CG 4.09Å; F591-L601 HydrophobicContact CZ-CD2 4.42Å; F591-Y617 AromaticContact CD2-CE1 3.86Å; F591-Y617 HydrophobicContact CD2-CE1 3.86Å; F591-Y617 HydrophobicContact CD2-CE2 4.2Å; F591-Y617 AromaticContact CD2-CZ 3.43Å; F591-Y617 VanDerWaalsContact CD2-CZ 3.43Å; F591-Y617 WeakPolarHBondContact CD2-OH 3.41Å; F591-Y617 HydrophobicContact CE2-CE1 4.33Å; F591-Y617 AromaticContact CE2-CE2 3.96Å; F591-Y617 HydrophobicContact CE2-CE2 3.96Å; F591-Y617 AromaticContact CE2-CZ 3.67Å; F591-Y617 WeakPolarHBondContact CE2-OH 3.5Å; F591-Y617 PolarHBondContact N-OH 2.85Å; F591-F628 HydrophobicContact CE2-CE1 4.36Å; F591-F628 HydrophobicContact CZ-CE1 4.22Å; F591-F629 HydrophobicContact CE2-CE1 4.38Å; F591-F629 HydrophobicContact CE2-CZ 4.36Å
592N93.5Very high94.2Very high14 Ų1446.7 Ų46.78%0.07522%0.215CC..SBendtrans-81.9-17.1-175.9-62.5-15.1000112.9F555 Y557 N590F555-N592 VanDerWaalsContact CA-OD1 3.29Å; F555-N592 WeakPolarHBondContact CA-OD1 3.22Å; F555-N592 HydrophobicContact CD1-CB 3.94Å; F555-N592 HydrophobicContact CE1-CB 3.7Å; F555-N592 HydrophobicContact CZ-CB 4.29Å; F555-N592 PolarHBondContact N-OD1 3.21Å; Y557-N592 PolarHBondContact O-ND2 3.09Å; Y557-N592 VanDerWaalsContact O-ND2 3.16Å; N590-N592 VanDerWaalsContact CG-ND2 3.27Å; N590-N592 PolarHBondContact ND2-ND2 2.91Å; N590-N592 WeakPolarHBondContact OD1-CB 3.24Å; N590-N592 PolarHBondContact OD1-N 3.04Å; N590-N592 PolarHBondContact OD1-ND2 3.38Å
593S93.6Very high94.3Very high5 Ų548.1 Ų48.14%0.03522%0.222CC..SBendtrans-149.4162177.979.30000111N74 M550 F591 F595 D596 S597N74-S593 VanDerWaalsContact ND2-CB 3.25Å; N74-S593 WeakPolarHBondContact ND2-CB 3.26Å; N74-S593 PolarHBondContact ND2-OG 3.42Å; M550-S593 VanDerWaalsContact SD-C 3.57Å; F591-S593 VanDerWaalsContact C-N 3.35Å; S593-F595 PolarHBondContact O-N 3.03Å; S593-D596 WeakPolarHBondContact CB-OD2 3.49Å; S593-D596 PolarHBondContact O-N 2.62Å; S593-D596 PolarHBondContact OG-N 3.31Å; S593-D596 PolarHBondContact OG-OD2 3.14Å; S593-S597 VanDerWaalsContact O-CB 3.3Å; S593-S597 WeakPolarHBondContact O-CB 3.41Å; S593-S597 PolarHBondContact O-N 3.05Å; S593-S597 PolarHBondContact O-OG 3.11Å
594P93.5Very high94.5Very high3 Ų342.5 Ų42.52%0.01920%0.196CC..Hα-helixtrans-54.9-47175.7-27.731.1000113.4I67 P72 N74 M550 S597 F598I67-P594 HydrophobicContact CB-CG 4.45Å; I67-P594 HydrophobicContact CD1-CB 4.44Å; I67-P594 HydrophobicContact CD1-CG 4.33Å; I67-P594 HydrophobicContact CG1-CB 4.46Å; I67-P594 HydrophobicContact CG1-CG 3.92Å; I67-P594 HydrophobicContact CG2-CB 4.09Å; I67-P594 HydrophobicContact CG2-CG 4.15Å; I67-P594 WeakPolarHBondContact O-CG 3.24Å; P72-P594 WeakPolarHBondContact O-CD 3.39Å; N74-P594 WeakPolarHBondContact OD1-CD 3.43Å; M550-P594 HydrophobicContact CE-CG 4.11Å; M550-P594 HydrophobicContact SD-CB 4.42Å; M550-P594 VanDerWaalsContact SD-CD 3.55Å; M550-P594 HydrophobicContact SD-CG 3.85Å; M550-P594 VanDerWaalsContact SD-N 3.44Å; P594-S597 WeakPolarHBondContact O-CB 3.27Å; P594-S597 PolarHBondContact O-N 3Å; P594-F598 VanDerWaalsContact O-CD2 3.31Å; P594-F598 WeakPolarHBondContact O-CD2 3.42Å; P594-F598 PolarHBondContact O-N 3.35Å
595F94.3Very high94.7Very high118 Ų11835.6 Ų35.652%0.51817%0.171SC..Hα-helixtrans-65.6-42.4179.8-63.4-33.1000113.2I68 N74 S593 S597 F598 L599I68-F595 HydrophobicContact CD1-CE1 3.92Å; I68-F595 HydrophobicContact CD1-CZ 3.67Å; I68-F595 HydrophobicContact CG1-CE1 4.17Å; I68-F595 HydrophobicContact CG1-CZ 4.07Å; I68-F595 HydrophobicContact CG2-CE2 4.45Å; I68-F595 HydrophobicContact CG2-CZ 4.35Å; N74-F595 HydrophobicContact CB-CD2 4.09Å; N74-F595 HydrophobicContact CB-CE2 4.27Å; N74-F595 VanDerWaalsContact ND2-CD2 3.28Å; N74-F595 WeakPolarHBondContact ND2-CD2 3.44Å; N74-F595 PolarHBondContact OD1-N 2.63Å; S593-F595 PolarHBondContact O-N 3.03Å; F595-S597 VanDerWaalsContact C-N 3.28Å; F595-S597 PolarHBondContact O-N 2.99Å; F595-F598 PolarHBondContact O-N 2.79Å; F595-L599 WeakPolarHBondContact O-CB 3.22Å; F595-L599 PolarHBondContact O-N 2.98Å
596D94.7Very high94.7Very high56 Ų5635.7 Ų35.730%0.29918%0.178SC..Hα-helixtrans-63.7-39.6177.5-58.8-40.5000110.6N590 S593 L599 L600N590-D596 CarbonylContact O-C 2.98Å; N590-D596 WeakPolarHBondContact O-CB 3.4Å; S593-D596 WeakPolarHBondContact CB-OD2 3.49Å; S593-D596 PolarHBondContact O-N 2.62Å; S593-D596 PolarHBondContact OG-N 3.31Å; S593-D596 PolarHBondContact OG-OD2 3.14Å; D596-L599 PolarHBondContact O-N 3.21Å; D596-L600 WeakPolarHBondContact O-CB 3.34Å; D596-L600 PolarHBondContact O-N 3.46Å
597S96.1Very high94.5Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-61.8-47.9176.1-58.50000112.1S546 M550 N590 F591 S593 P594 F595 L599 L600 L601S546-S597 WeakPolarHBondContact OG-CB 3.27Å; S546-S597 PolarHBondContact OG-OG 3.27Å; M550-S597 WeakPolarHBondContact CG-OG 3.21Å; N590-S597 PolarHBondContact O-N 3.45Å; F591-S597 WeakPolarHBondContact CD1-OG 3.27Å; S593-S597 VanDerWaalsContact O-CB 3.3Å; S593-S597 WeakPolarHBondContact O-CB 3.41Å; S593-S597 PolarHBondContact O-N 3.05Å; S593-S597 PolarHBondContact O-OG 3.11Å; P594-S597 WeakPolarHBondContact O-CB 3.27Å; P594-S597 PolarHBondContact O-N 3Å; F595-S597 VanDerWaalsContact C-N 3.28Å; F595-S597 PolarHBondContact O-N 2.99Å; S597-L599 VanDerWaalsContact C-N 3.32Å; S597-L599 PolarHBondContact O-N 3.44Å; S597-L600 PolarHBondContact O-N 2.88Å; S597-L601 WeakPolarHBondContact O-CB 3.43Å; S597-L601 WeakPolarHBondContact O-CG 3.48Å; S597-L601 PolarHBondContact O-N 3.41Å
598F95.8Very high94.5Very high53 Ų5339.7 Ų39.723%0.23221%0.205CC..Hα-helixtrans-61.7-41.4177.4-96.7-100.7000111.6L539 F542 Y543 P594 F595 L601 F602L539-F598 HydrophobicContact CD2-CE1 4.28Å; F542-F598 HydrophobicContact CB-CD1 3.9Å; F542-F598 HydrophobicContact CB-CE1 3.62Å; F542-F598 HydrophobicContact CB-CZ 4.14Å; F542-F598 HydrophobicContact CD2-CD1 4.2Å; Y543-F598 HydrophobicContact CD2-CE2 4.34Å; Y543-F598 HydrophobicContact CD2-CZ 4.16Å; Y543-F598 HydrophobicContact CG-CZ 4.41Å; P594-F598 VanDerWaalsContact O-CD2 3.31Å; P594-F598 WeakPolarHBondContact O-CD2 3.42Å; P594-F598 PolarHBondContact O-N 3.35Å; F595-F598 PolarHBondContact O-N 2.79Å; F598-L601 PolarHBondContact O-N 3.19Å; F598-F602 WeakPolarHBondContact O-CB 3.25Å; F598-F602 PolarHBondContact O-N 3.34Å
599L95.9Very high94.6Very high84 Ų8439.6 Ų39.644%0.4420%0.203SC..Hα-helixtrans-63-47.5176.717961.5000111.6F589 F595 D596 S597 F602 I603F589-L599 HydrophobicContact CD1-CD2 4.02Å; F589-L599 HydrophobicContact CD1-CG 4.27Å; F589-L599 HydrophobicContact CE1-CD2 4.01Å; F589-L599 HydrophobicContact CE1-CG 4.39Å; F595-L599 WeakPolarHBondContact O-CB 3.22Å; F595-L599 PolarHBondContact O-N 2.98Å; D596-L599 PolarHBondContact O-N 3.21Å; S597-L599 VanDerWaalsContact C-N 3.32Å; S597-L599 PolarHBondContact O-N 3.44Å; L599-F602 WeakPolarHBondContact O-CB 3.37Å; L599-F602 PolarHBondContact O-N 3.07Å; L599-I603 HydrophobicContact CD1-CD1 4.15Å; L599-I603 HydrophobicContact CG-CD1 4.03Å; L599-I603 WeakPolarHBondContact O-CG1 3.47Å; L599-I603 PolarHBondContact O-N 3.05Å
600L96.3Very high94.6Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-64.2-41.6178.517756.2000111.8F589 F591 D596 S597 F602 I603 I604 F613 Y617F589-L600 HydrophobicContact CB-CB 4.49Å; F589-L600 HydrophobicContact CB-CD1 3.98Å; F591-L600 HydrophobicContact CD1-CD2 4.29Å; F591-L600 HydrophobicContact CD2-CD2 4Å; F591-L600 HydrophobicContact CE1-CB 4.35Å; F591-L600 HydrophobicContact CE1-CD2 3.88Å; F591-L600 HydrophobicContact CE1-CG 4.24Å; F591-L600 HydrophobicContact CE2-CD2 3.54Å; F591-L600 HydrophobicContact CE2-CG 4.46Å; F591-L600 HydrophobicContact CG-CD2 4.34Å; F591-L600 HydrophobicContact CZ-CD2 3.47Å; F591-L600 VanDerWaalsContact CZ-CD2 3.47Å; F591-L600 HydrophobicContact CZ-CG 3.94Å; D596-L600 WeakPolarHBondContact O-CB 3.34Å; D596-L600 PolarHBondContact O-N 3.46Å; S597-L600 PolarHBondContact O-N 2.88Å; L600-F602 VanDerWaalsContact C-N 3.32Å; L600-F602 PolarHBondContact O-N 3.49Å; L600-I603 PolarHBondContact O-N 3.22Å; L600-I604 HydrophobicContact CD1-CD1 3.69Å; L600-I604 HydrophobicContact CD1-CG1 4.01Å; L600-I604 HydrophobicContact CG-CD1 3.81Å; L600-I604 WeakPolarHBondContact O-CG1 3.46Å; L600-I604 PolarHBondContact O-N 3.28Å; L600-F613 HydrophobicContact CD1-CD1 3.63Å; L600-F613 HydrophobicContact CD1-CE1 3.91Å; L600-F613 HydrophobicContact CD1-CG 4.06Å; L600-Y617 HydrophobicContact CD2-CE2 4.03Å; L600-Y617 WeakPolarHBondContact CD2-OH 3.25Å
601L97.1Very high94.6Very high0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-62-40.3175-71.6168.2000111.9F542 F545 F591 S597 F598 T605 I632F542-L601 HydrophobicContact CB-CD1 4.27Å; F542-L601 HydrophobicContact CD1-CB 4.18Å; F542-L601 HydrophobicContact CD2-CB 4.39Å; F542-L601 HydrophobicContact CE1-CB 4.32Å; F542-L601 HydrophobicContact CG-CB 4.21Å; F542-L601 VanDerWaalsContact O-CD1 3.29Å; F542-L601 WeakPolarHBondContact O-CD1 3.42Å; F545-L601 HydrophobicContact CB-CD1 3.92Å; F545-L601 HydrophobicContact CB-CD2 4.01Å; F591-L601 HydrophobicContact CE1-CD2 4.32Å; F591-L601 HydrophobicContact CE1-CG 4.09Å; F591-L601 HydrophobicContact CZ-CD2 4.42Å; S597-L601 WeakPolarHBondContact O-CB 3.43Å; S597-L601 WeakPolarHBondContact O-CG 3.48Å; S597-L601 PolarHBondContact O-N 3.41Å; F598-L601 PolarHBondContact O-N 3.19Å; L601-T605 VanDerWaalsContact O-CB 3.3Å; L601-T605 WeakPolarHBondContact O-CB 3.48Å; L601-T605 PolarHBondContact O-N 3.01Å; L601-T605 PolarHBondContact O-OG1 3.03Å; L601-I632 HydrophobicContact CD2-CD1 3.56Å; L601-I632 HydrophobicContact CD2-CG1 4.4Å; L601-I632 HydrophobicContact CD2-CG2 4.47Å
602F96Very high94.5Very high122 Ų12238.6 Ų38.654%0.53520%0.199SC..Hα-helixtrans-60.4-48.8173.3178.2-97.5000111.3F542 F598 L599 L600 I604 T605 V606F542-F602 HydrophobicContact CE2-CB 4.09Å; F542-F602 HydrophobicContact CE2-CD2 4.46Å; F598-F602 WeakPolarHBondContact O-CB 3.25Å; F598-F602 PolarHBondContact O-N 3.34Å; L599-F602 WeakPolarHBondContact O-CB 3.37Å; L599-F602 PolarHBondContact O-N 3.07Å; L600-F602 VanDerWaalsContact C-N 3.32Å; L600-F602 PolarHBondContact O-N 3.49Å; F602-I604 PolarHBondContact O-N 3.32Å; F602-T605 WeakPolarHBondContact O-CB 3.07Å; F602-T605 PolarHBondContact O-N 3.04Å; F602-T605 VanDerWaalsContact O-N 3.16Å; F602-V606 HydrophobicContact CE1-CG2 4.29Å; F602-V606 HydrophobicContact CZ-CG2 4.48Å; F602-V606 PolarHBondContact O-N 3.37Å; F602-V606 VanDerWaalsContact O-N 3.16Å
603I95.4Very high94.6Very high39 Ų3938.1 Ų38.120%0.220%0.196CC..Hα-helixtrans-60.4-45.5179.5-68.3165.8000111.5F589 L599 L600 T605 V606 F613F589-I603 HydrophobicContact CD1-CD1 3.39Å; F589-I603 HydrophobicContact CE1-CD1 3.28Å; F589-I603 HydrophobicContact CE2-CD1 4.47Å; F589-I603 HydrophobicContact CG-CD1 4.07Å; F589-I603 HydrophobicContact CZ-CD1 3.87Å; L599-I603 HydrophobicContact CD1-CD1 4.15Å; L599-I603 HydrophobicContact CG-CD1 4.03Å; L599-I603 WeakPolarHBondContact O-CG1 3.47Å; L599-I603 PolarHBondContact O-N 3.05Å; L600-I603 PolarHBondContact O-N 3.22Å; I603-T605 VanDerWaalsContact C-N 3.27Å; I603-T605 PolarHBondContact O-N 3.13Å; I603-V606 WeakPolarHBondContact O-CB 3.48Å; I603-V606 PolarHBondContact O-N 3.05Å; I603-F613 HydrophobicContact CG2-CE2 3.75Å; I603-F613 HydrophobicContact CG2-CZ 3.98Å
604I95.2Very high94.7Very high1 Ų137.9 Ų37.91%0.00520%0.195CC..Hα-helixtrans-64.3-34.9178-69.9166.3000111.3L600 F602 V606 G607 W610 F629 I632L600-I604 HydrophobicContact CD1-CD1 3.69Å; L600-I604 HydrophobicContact CD1-CG1 4.01Å; L600-I604 HydrophobicContact CG-CD1 3.81Å; L600-I604 WeakPolarHBondContact O-CG1 3.46Å; L600-I604 PolarHBondContact O-N 3.28Å; F602-I604 PolarHBondContact O-N 3.32Å; I604-V606 VanDerWaalsContact C-N 3.3Å; I604-V606 PolarHBondContact O-N 3.43Å; I604-G607 PolarHBondContact O-N 2.85Å; I604-G607 VanDerWaalsContact O-N 3.1Å; I604-W610 HydrophobicContact CG2-CB 4.25Å; I604-F629 HydrophobicContact CD1-CD1 3.81Å; I604-F629 HydrophobicContact CD1-CE1 3.6Å; I604-I632 HydrophobicContact CG2-CG2 4.45Å
605T94.6Very high94.7Very high10 Ų1041.2 Ų41.26%0.06121%0.21CC..Hα-helixtrans-69.3-26.4178.7-59.70000112.5F542 L601 F602 I603 G607 C636 V637 L641F542-T605 WeakPolarHBondContact CE1-OG1 3.46Å; F542-T605 HydrophobicContact CZ-CG2 4.18Å; F542-T605 WeakPolarHBondContact CZ-OG1 3.32Å; L601-T605 VanDerWaalsContact O-CB 3.3Å; L601-T605 WeakPolarHBondContact O-CB 3.48Å; L601-T605 PolarHBondContact O-N 3.01Å; L601-T605 PolarHBondContact O-OG1 3.03Å; F602-T605 WeakPolarHBondContact O-CB 3.07Å; F602-T605 PolarHBondContact O-N 3.04Å; F602-T605 VanDerWaalsContact O-N 3.16Å; I603-T605 VanDerWaalsContact C-N 3.27Å; I603-T605 PolarHBondContact O-N 3.13Å; T605-G607 PolarHBondContact O-N 3.29Å; T605-C636 HydrophobicContact CG2-CB 4.27Å; T605-V637 HydrophobicContact CG2-CG2 4.08Å; T605-V637 WeakPolarHBondContact O-CG2 3.48Å; T605-L641 HydrophobicContact CG2-CD1 3.69Å; T605-L641 HydrophobicContact CG2-CG 4.29Å
606V93.7Very high94.6Very high102 Ų10235.6 Ų35.662%0.61819%0.185SC*.Hα-helixtrans-65.1-26.8171.4176.10000111.5F602 I603 I604F602-V606 HydrophobicContact CE1-CG2 4.29Å; F602-V606 HydrophobicContact CZ-CG2 4.48Å; F602-V606 PolarHBondContact O-N 3.37Å; F602-V606 VanDerWaalsContact O-N 3.16Å; I603-V606 WeakPolarHBondContact O-CB 3.48Å; I603-V606 PolarHBondContact O-N 3.05Å; I604-V606 VanDerWaalsContact C-N 3.3Å; I604-V606 PolarHBondContact O-N 3.43Å
607G89.9Confident94.6Very high15 Ų1533 Ų3316%0.15517%0.171CC..  trans90.6-5.6169.400000116I604 T605I604-G607 PolarHBondContact O-N 2.85Å; I604-G607 VanDerWaalsContact O-N 3.1Å; T605-G607 PolarHBondContact O-N 3.29Å
608N93.1Very high94.6Very high102 Ų10234.1 Ų34.155%0.54518%0.178SC..SBendtrans-87.7141175.1-167.418.4000111.7W610N608-W610 PolarHBondContact O-N 3.43Å
609N93.9Very high94.4Very high48 Ų4834.1 Ų34.126%0.25718%0.18SC..SBendtrans53.414.2177.6-67.3-19.9000116.4Y586 H611 I612 F613Y586-N609 PolarHBondContact OH-ND2 2.94Å; Y586-N609 VanDerWaalsContact OH-ND2 3.15Å; N609-H611 PolarHBondContact O-N 3.44Å; N609-I612 HydrophobicContact CB-CD1 4.17Å; N609-I612 WeakPolarHBondContact O-CB 3.21Å; N609-I612 PolarHBondContact O-N 3.21Å; N609-F613 WeakPolarHBondContact O-CD2 3.48Å
610W94.7Very high94.3Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-62.9-27.3-175.876.6-81.8000113.5W227 Y230 V231 T234 I604 N608 F613 T614 F629W227-W610 HydrophobicContact CH2-CE3 4.46Å; W227-W610 AromaticContact CH2-CH2 3.57Å; W227-W610 HydrophobicContact CH2-CH2 3.57Å; W227-W610 AromaticContact CH2-CZ3 3.5Å; W227-W610 HydrophobicContact CH2-CZ3 3.5Å; W227-W610 HydrophobicContact CZ2-CH2 4.32Å; W227-W610 HydrophobicContact CZ2-CZ3 4.35Å; W227-W610 AromaticContact CZ3-CH2 3.9Å; W227-W610 HydrophobicContact CZ3-CH2 3.9Å; W227-W610 HydrophobicContact CZ3-CZ3 4.12Å; Y230-W610 AromaticContact CD1-CH2 3.95Å; Y230-W610 HydrophobicContact CD1-CH2 3.95Å; Y230-W610 HydrophobicContact CD1-CZ2 4.04Å; Y230-W610 AromaticContact CE1-CH2 3.62Å; Y230-W610 HydrophobicContact CE1-CH2 3.62Å; Y230-W610 AromaticContact CE1-CZ2 3.8Å; Y230-W610 HydrophobicContact CE1-CZ2 3.8Å; V231-W610 HydrophobicContact CB-CZ2 4.45Å; V231-W610 HydrophobicContact CG2-CH2 4.18Å; V231-W610 HydrophobicContact CG2-CZ2 3.75Å; T234-W610 HydrophobicContact CG2-CZ2 4.46Å; T234-W610 PolarHBondContact OG1-NE1 3.26Å; I604-W610 HydrophobicContact CG2-CB 4.25Å; N608-W610 PolarHBondContact O-N 3.43Å; W610-F613 PolarHBondContact O-N 3.06Å; W610-T614 PolarHBondContact O-N 3.24Å; W610-T614 PolarHBondContact O-OG1 3.5Å; W610-F629 HydrophobicContact CE3-CB 4.37Å; W610-F629 HydrophobicContact CZ3-CB 4.01Å
611H93.9Very high94.2Very high27 Ų2733.6 Ų33.613%0.12518%0.18CC..Hα-helixtrans-68.2-32.4176.269.2-82000112.4W227 V231 A236 N609 T614 H615W227-H611 HydrophobicContact CZ2-CB 4.35Å; V231-H611 HydrophobicContact CB-CB 4.4Å; V231-H611 HydrophobicContact CG1-CB 3.6Å; V231-H611 HydrophobicContact CG2-CB 3.82Å; A236-H611 PolarHBondContact O-CE1 3.46Å; N609-H611 PolarHBondContact O-N 3.44Å; H611-T614 PolarHBondContact O-N 3.2Å; H611-H615 WeakPolarHBondContact O-CB 3.31Å; H611-H615 PolarHBondContact O-N 3.38Å
612I94.3Very high94Very high12 Ų1237.3 Ų37.36%0.06220%0.203CC..Hα-helixtrans-68-42.9175.7-54178.6000110.2F581 Y586 N609 H615 G616F581-I612 HydrophobicContact CB-CG2 4.43Å; Y586-I612 HydrophobicContact CD2-CB 4.42Å; Y586-I612 HydrophobicContact CD2-CG2 3.81Å; Y586-I612 HydrophobicContact CE2-CB 4.07Å; Y586-I612 HydrophobicContact CE2-CD1 4.32Å; Y586-I612 HydrophobicContact CE2-CG2 3.77Å; N609-I612 HydrophobicContact CB-CD1 4.17Å; N609-I612 WeakPolarHBondContact O-CB 3.21Å; N609-I612 PolarHBondContact O-N 3.21Å; I612-H615 PolarHBondContact O-N 3.15Å; I612-G616 PolarHBondContact O-N 3Å
613F95.1Very high93.8Very high4 Ų437.3 Ų37.32%0.01820%0.199CC..Hα-helixtrans-58.2-49.2172.8-70.7-73.8000110.9F581 Y586 F589 L600 I603 N609 W610 H615 G616 Y617F581-F613 AromaticContact CE2-CD1 3.9Å; F581-F613 HydrophobicContact CE2-CD1 3.9Å; F581-F613 HydrophobicContact CE2-CE1 4.47Å; Y586-F613 HydrophobicContact CD1-CE1 4.28Å; Y586-F613 HydrophobicContact CD1-CZ 4.12Å; Y586-F613 HydrophobicContact CD2-CD1 4.34Å; Y586-F613 AromaticContact CD2-CE1 3.92Å; Y586-F613 HydrophobicContact CD2-CE1 3.92Å; Y586-F613 HydrophobicContact CD2-CE2 4.41Å; Y586-F613 AromaticContact CD2-CZ 3.97Å; Y586-F613 HydrophobicContact CD2-CZ 3.97Å; Y586-F613 HydrophobicContact CE1-CZ 4.24Å; Y586-F613 HydrophobicContact CE2-CE2 4.25Å; Y586-F613 HydrophobicContact CE2-CZ 4.12Å; Y586-F613 AromaticContact CG-CE1 3.79Å; Y586-F613 HydrophobicContact CG-CE1 3.79Å; Y586-F613 AromaticContact CG-CZ 3.98Å; Y586-F613 HydrophobicContact CG-CZ 3.98Å; F589-F613 HydrophobicContact CB-CE1 3.87Å; F589-F613 AromaticContact CD2-CE1 3.73Å; F589-F613 HydrophobicContact CD2-CE1 3.73Å; F589-F613 AromaticContact CD2-CZ 3.93Å; F589-F613 HydrophobicContact CD2-CZ 3.93Å; F589-F613 HydrophobicContact CE2-CZ 4.48Å; F589-F613 HydrophobicContact CG-CE1 4.12Å; F589-F613 HydrophobicContact CG-CZ 4.47Å; L600-F613 HydrophobicContact CD1-CD1 3.63Å; L600-F613 HydrophobicContact CD1-CE1 3.91Å; L600-F613 HydrophobicContact CD1-CG 4.06Å; I603-F613 HydrophobicContact CG2-CE2 3.75Å; I603-F613 HydrophobicContact CG2-CZ 3.98Å; N609-F613 WeakPolarHBondContact O-CD2 3.48Å; W610-F613 PolarHBondContact O-N 3.06Å; F613-H615 VanDerWaalsContact C-N 3.31Å; F613-H615 PolarHBondContact O-N 2.82Å; F613-G616 PolarHBondContact O-N 3.01Å; F613-Y617 VanDerWaalsContact O-CD2 3.29Å; F613-Y617 WeakPolarHBondContact O-CD2 3.34Å; F613-Y617 PolarHBondContact O-N 2.74Å
614T95.2Very high93.6Very high0 Ų044.9 Ų44.90%023%0.225CC..Hα-helixtrans-59.1-43.3178-550000111.5W227 W610 H611 G616 Y617 V618 K626 F629W227-T614 HydrophobicContact CH2-CG2 3.42Å; W227-T614 VanDerWaalsContact CH2-CG2 3.42Å; W227-T614 HydrophobicContact CZ2-CG2 3.67Å; W227-T614 HydrophobicContact CZ3-CG2 4.35Å; W610-T614 PolarHBondContact O-N 3.24Å; W610-T614 PolarHBondContact O-OG1 3.5Å; H611-T614 PolarHBondContact O-N 3.2Å; T614-G616 VanDerWaalsContact C-N 3.35Å; T614-G616 PolarHBondContact O-N 3.31Å; T614-Y617 PolarHBondContact O-N 3.38Å; T614-Y617 VanDerWaalsContact O-N 3.17Å; T614-V618 HydrophobicContact CG2-CG2 4.08Å; T614-V618 VanDerWaalsContact O-CG2 3.27Å; T614-V618 WeakPolarHBondContact O-CG2 3.47Å; T614-V618 PolarHBondContact O-N 3.28Å; T614-K626 HydrophobicContact CG2-CG 4.01Å; T614-F629 HydrophobicContact CG2-CB 4.36Å; T614-F629 HydrophobicContact CG2-CD2 3.48Å; T614-F629 VanDerWaalsContact CG2-CD2 3.48Å; T614-F629 HydrophobicContact CG2-CE2 4.05Å; T614-F629 HydrophobicContact CG2-CG 4.09Å; T614-F629 WeakPolarHBondContact OG1-CG 3.48Å
615H93.1Very high93.5Very high73 Ų7345.1 Ų45.134%0.33823%0.228SC..Hα-helixtrans-60-42.6177.6-175.2-114.6000112.2H611 I612 F613 Y617 V618 I619H611-H615 WeakPolarHBondContact O-CB 3.31Å; H611-H615 PolarHBondContact O-N 3.38Å; I612-H615 PolarHBondContact O-N 3.15Å; F613-H615 VanDerWaalsContact C-N 3.31Å; F613-H615 PolarHBondContact O-N 2.82Å; H615-Y617 VanDerWaalsContact C-N 3.31Å; H615-Y617 PolarHBondContact O-N 3.18Å; H615-V618 PolarHBondContact O-N 2.88Å; H615-I619 VanDerWaalsContact CE1-CD1 3.46Å; H615-I619 WeakPolarHBondContact CE1-CD1 3.47Å; H615-I619 VanDerWaalsContact O-CG1 3.32Å; H615-I619 WeakPolarHBondContact O-CG1 3.31Å; H615-I619 PolarHBondContact O-N 2.78Å
616G93.7Very high93.5Very high0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-55.6-43.2173.800000112.9I612 F613 T614I612-G616 PolarHBondContact O-N 3Å; F613-G616 PolarHBondContact O-N 3.01Å; T614-G616 VanDerWaalsContact C-N 3.35Å; T614-G616 PolarHBondContact O-N 3.31Å
617Y94.9Very high93.5Very high0 Ų045.1 Ų45.10%022%0.222CC..Hα-helixtrans-70.6-40.8175.1-77.3-78.3000112.9F553 Y557 F591 L600 F613 T614 H615 I619 V620 T621 F629F553-Y617 HydrophobicContact CB-CD1 4.14Å; F553-Y617 HydrophobicContact CB-CE1 3.69Å; F553-Y617 AromaticContact CD1-CD1 3.93Å; F553-Y617 HydrophobicContact CD1-CD1 3.93Å; F553-Y617 HydrophobicContact CD1-CE1 4.36Å; F553-Y617 HydrophobicContact CE1-CD1 4.48Å; F553-Y617 AromaticContact CG-CD1 3.99Å; F553-Y617 HydrophobicContact CG-CD1 3.99Å; F553-Y617 AromaticContact CG-CE1 3.99Å; F553-Y617 HydrophobicContact CG-CE1 3.99Å; Y557-Y617 HydrophobicContact CE1-CD1 4.12Å; Y557-Y617 AromaticContact CE1-CE1 3.59Å; Y557-Y617 HydrophobicContact CE1-CE1 3.59Å; Y557-Y617 HydrophobicContact CE1-CE2 4.13Å; Y557-Y617 AromaticContact CE1-CZ 3.62Å; Y557-Y617 AromaticContact CZ-CZ 3.77Å; Y557-Y617 VanDerWaalsContact OH-CE2 3.3Å; Y557-Y617 WeakPolarHBondContact OH-CE2 3.36Å; Y557-Y617 PolarHBondContact OH-OH 3.48Å; F591-Y617 AromaticContact CD2-CE1 3.86Å; F591-Y617 HydrophobicContact CD2-CE1 3.86Å; F591-Y617 HydrophobicContact CD2-CE2 4.2Å; F591-Y617 AromaticContact CD2-CZ 3.43Å; F591-Y617 VanDerWaalsContact CD2-CZ 3.43Å; F591-Y617 WeakPolarHBondContact CD2-OH 3.41Å; F591-Y617 HydrophobicContact CE2-CE1 4.33Å; F591-Y617 AromaticContact CE2-CE2 3.96Å; F591-Y617 HydrophobicContact CE2-CE2 3.96Å; F591-Y617 AromaticContact CE2-CZ 3.67Å; F591-Y617 WeakPolarHBondContact CE2-OH 3.5Å; F591-Y617 PolarHBondContact N-OH 2.85Å; L600-Y617 HydrophobicContact CD2-CE2 4.03Å; L600-Y617 WeakPolarHBondContact CD2-OH 3.25Å; F613-Y617 VanDerWaalsContact O-CD2 3.29Å; F613-Y617 WeakPolarHBondContact O-CD2 3.34Å; F613-Y617 PolarHBondContact O-N 2.74Å; T614-Y617 PolarHBondContact O-N 3.38Å; T614-Y617 VanDerWaalsContact O-N 3.17Å; H615-Y617 VanDerWaalsContact C-N 3.31Å; H615-Y617 PolarHBondContact O-N 3.18Å; Y617-I619 VanDerWaalsContact C-N 3.33Å; Y617-I619 PolarHBondContact O-N 3.08Å; Y617-V620 PolarHBondContact O-N 3.33Å; Y617-T621 WeakPolarHBondContact O-CB 3.44Å; Y617-T621 PolarHBondContact O-N 2.9Å; Y617-T621 PolarHBondContact O-OG1 3.42Å; Y617-F629 HydrophobicContact CD2-CE1 4.41Å; Y617-F629 HydrophobicContact CD2-CE2 4.11Å; Y617-F629 AromaticContact CD2-CZ 3.47Å; Y617-F629 HydrophobicContact CD2-CZ 3.47Å; Y617-F629 VanDerWaalsContact CD2-CZ 3.47Å; Y617-F629 AromaticContact CE2-CZ 4Å; Y617-F629 HydrophobicContact CE2-CZ 4Å; Y617-F629 HydrophobicContact CG-CE2 4.24Å; Y617-F629 AromaticContact CG-CZ 3.94Å; Y617-F629 HydrophobicContact CG-CZ 3.94Å
618V94.2Very high93.8Very high25 Ų2545.4 Ų45.415%0.15222%0.219CC..Hα-helixtrans-62-40.3179.7170.60000111.6T614 H615 V620 T621 R623 S625 K626T614-V618 HydrophobicContact CG2-CG2 4.08Å; T614-V618 VanDerWaalsContact O-CG2 3.27Å; T614-V618 WeakPolarHBondContact O-CG2 3.47Å; T614-V618 PolarHBondContact O-N 3.28Å; H615-V618 PolarHBondContact O-N 2.88Å; V618-V620 PolarHBondContact O-N 3.22Å; V618-T621 PolarHBondContact O-N 3.2Å; V618-R623 HydrophobicContact CG1-CG 4.33Å; V618-S625 WeakPolarHBondContact CG2-OG 3.48Å; V618-K626 HydrophobicContact CG2-CG 3.74Å
619I93.1Very high93.9Very high53 Ų5340.6 Ų40.627%0.27219%0.193SC..Hα-helixtrans-57-41177.4-72.3167.4000111Y575 L576 H615 Y617Y575-I619 VanDerWaalsContact O-CG2 3.3Å; Y575-I619 WeakPolarHBondContact O-CG2 3.36Å; L576-I619 HydrophobicContact CD2-CB 4.27Å; L576-I619 HydrophobicContact CD2-CD1 4.34Å; L576-I619 HydrophobicContact CD2-CG2 4.08Å; H615-I619 VanDerWaalsContact CE1-CD1 3.46Å; H615-I619 WeakPolarHBondContact CE1-CD1 3.47Å; H615-I619 VanDerWaalsContact O-CG1 3.32Å; H615-I619 WeakPolarHBondContact O-CG1 3.31Å; H615-I619 PolarHBondContact O-N 2.78Å; Y617-I619 VanDerWaalsContact C-N 3.33Å; Y617-I619 PolarHBondContact O-N 3.08Å
620V93.2Very high93.9Very high27 Ų2740.2 Ų40.216%0.16419%0.191CC..Hα-helixtrans-91.4-25.8-172.9-169.50000112.9I556 N573 L576 Y617 V618I556-V620 HydrophobicContact CG2-CB 3.62Å; I556-V620 HydrophobicContact CG2-CG1 3.14Å; I556-V620 HydrophobicContact CG2-CG2 4.3Å; N573-V620 WeakPolarHBondContact ND2-CG1 3.47Å; L576-V620 HydrophobicContact CD1-CG2 3.93Å; L576-V620 HydrophobicContact CD2-CG2 3.69Å; L576-V620 HydrophobicContact CG-CG2 3.6Å; Y617-V620 PolarHBondContact O-N 3.33Å; V618-V620 PolarHBondContact O-N 3.22Å
621T93.4Very high93.9Very high45 Ų4544.2 Ų44.228%0.27621%0.212SC..SBendtrans-108.2-108.4-175.662.40000111F553 I556 Y617 V618 S625F553-T621 HydrophobicContact CD1-CG2 4Å; F553-T621 HydrophobicContact CE1-CG2 4.09Å; I556-T621 HydrophobicContact CD1-CG2 3.37Å; I556-T621 HydrophobicContact CG2-CG2 4.5Å; Y617-T621 WeakPolarHBondContact O-CB 3.44Å; Y617-T621 PolarHBondContact O-N 2.9Å; Y617-T621 PolarHBondContact O-OG1 3.42Å; V618-T621 PolarHBondContact O-N 3.2Å; T621-S625 PolarHBondContact OG1-OG 3.11Å
622T93.2Very high94Very high78 Ų7843 Ų4348%0.47921%0.206SC..  trans-145.5164.4178.567.20000109.4W624 S625T622-W624 PolarHBondContact O-N 3.03Å; T622-W624 PolarHBondContact OG1-N 3.39Å; T622-S625 WeakPolarHBondContact O-CB 3.3Å; T622-S625 PolarHBondContact O-N 3.25Å; T622-S625 VanDerWaalsContact O-N 3.15Å; T622-S625 PolarHBondContact O-OG 3.45Å
623R92Very high93.9Very high122 Ų12242.7 Ų42.746%0.4620%0.204SC..THydrogen-bonded Turntrans-59.2-25.5174.3-63.1-176.5-177.4-170.5-4.4113.3Y220 D221 V618 S625 K626Y220-R623 PolarHBondContact OH-NH1 3.48Å; Y220-R623 PolarHBondContact OH-NH2 2.98Å; D221-R623 IonicContact OD2-NH1 3.99Å; V618-R623 HydrophobicContact CG1-CG 4.33Å; R623-S625 PolarHBondContact O-N 3.26Å; R623-K626 WeakPolarHBondContact O-CB 3.09Å; R623-K626 WeakPolarHBondContact O-CG 3.47Å; R623-K626 PolarHBondContact O-N 2.92Å; R623-K626 VanDerWaalsContact O-N 3.17Å
624W91.7Very high93.7Very high198 Ų19847 Ų4775%0.7522%0.22SC*.THydrogen-bonded Turntrans-65.9-19.9178.8-63.8110.8000113.6T622 K626 L627T622-W624 PolarHBondContact O-N 3.03Å; T622-W624 PolarHBondContact OG1-N 3.39Å; W624-K626 PolarHBondContact O-N 3.07Å; W624-L627 HydrophobicContact CE3-CD1 3.65Å; W624-L627 HydrophobicContact CE3-CG 4.44Å; W624-L627 HydrophobicContact CZ3-CD1 4.08Å; W624-L627 WeakPolarHBondContact O-CB 3.31Å; W624-L627 PolarHBondContact O-N 3.3Å
625S93.4Very high93.6Very high7 Ų749.5 Ų49.55%0.04923%0.233CC..Hα-helixtrans-59-25.7172.5620000112.8V618 T621 T622 R623 L627 F628 F629V618-S625 WeakPolarHBondContact CG2-OG 3.48Å; T621-S625 PolarHBondContact OG1-OG 3.11Å; T622-S625 WeakPolarHBondContact O-CB 3.3Å; T622-S625 PolarHBondContact O-N 3.25Å; T622-S625 VanDerWaalsContact O-N 3.15Å; T622-S625 PolarHBondContact O-OG 3.45Å; R623-S625 PolarHBondContact O-N 3.26Å; S625-L627 PolarHBondContact O-N 3.34Å; S625-F628 WeakPolarHBondContact O-CB 3.29Å; S625-F628 PolarHBondContact O-N 2.72Å; S625-F628 VanDerWaalsContact O-N 3.1Å; S625-F629 VanDerWaalsContact O-CD2 3.26Å; S625-F629 WeakPolarHBondContact O-CD2 2.99Å
626K94.4Very high93.7Very high23 Ų2346 Ų4610%0.122%0.217CC..Hα-helixtrans-52.9-37.7172.6-69.9179.7174-170.80112.2D224 W227 T614 V618 R623 W624 F628 F629 I630D224-K626 IonicContact OD1-NZ 2.92Å; D224-K626 PolarHBondContact OD1-NZ 3Å; W227-K626 HydrophobicContact CD2-CD 3.67Å; W227-K626 HydrophobicContact CD2-CG 4.22Å; W227-K626 HydrophobicContact CE3-CB 3.98Å; W227-K626 HydrophobicContact CE3-CD 3.65Å; W227-K626 HydrophobicContact CE3-CG 3.9Å; W227-K626 HydrophobicContact CG-CD 4.04Å; W227-K626 VanDerWaalsContact CG-NZ 3.3Å; W227-K626 HydrophobicContact CH2-CB 4.38Å; W227-K626 HydrophobicContact CH2-CG 4.17Å; W227-K626 HydrophobicContact CZ2-CG 4.47Å; W227-K626 HydrophobicContact CZ3-CB 3.75Å; W227-K626 HydrophobicContact CZ3-CD 4.16Å; W227-K626 HydrophobicContact CZ3-CG 3.87Å; T614-K626 HydrophobicContact CG2-CG 4.01Å; V618-K626 HydrophobicContact CG2-CG 3.74Å; R623-K626 WeakPolarHBondContact O-CB 3.09Å; R623-K626 WeakPolarHBondContact O-CG 3.47Å; R623-K626 PolarHBondContact O-N 2.92Å; R623-K626 VanDerWaalsContact O-N 3.17Å; W624-K626 PolarHBondContact O-N 3.07Å; K626-F628 VanDerWaalsContact C-N 3.31Å; K626-F628 PolarHBondContact O-N 3.46Å; K626-F629 PolarHBondContact O-N 2.73Å; K626-I630 WeakPolarHBondContact O-CG1 3.26Å; K626-I630 PolarHBondContact O-N 3.35Å
627L94.2Very high93.6Very high89 Ų8947.3 Ų47.347%0.46623%0.225SC..Hα-helixtrans-61.7-38.5-179.8-69.8177.6000112.5W624 S625 F629 I630 I631W624-L627 HydrophobicContact CE3-CD1 3.65Å; W624-L627 HydrophobicContact CE3-CG 4.44Å; W624-L627 HydrophobicContact CZ3-CD1 4.08Å; W624-L627 WeakPolarHBondContact O-CB 3.31Å; W624-L627 PolarHBondContact O-N 3.3Å; S625-L627 PolarHBondContact O-N 3.34Å; L627-F629 VanDerWaalsContact C-N 3.35Å; L627-F629 PolarHBondContact O-N 2.88Å; L627-I630 PolarHBondContact O-N 3.49Å; L627-I631 VanDerWaalsContact O-CG1 3.26Å; L627-I631 WeakPolarHBondContact O-CG1 3.49Å; L627-I631 PolarHBondContact O-N 3.42Å
628F95Very high93.5Very high21 Ų2147.5 Ų47.59%0.09223%0.226CC..Hα-helixtrans-59.1-47.4178175.2-99.9000111.1F545 I548 A549 F553 F591 S625 K626 I631 I632F545-F628 HydrophobicContact CB-CZ 4.41Å; F545-F628 HydrophobicContact CD1-CE2 4Å; F545-F628 HydrophobicContact CD1-CZ 4.36Å; I548-F628 HydrophobicContact CB-CE2 4.4Å; I548-F628 HydrophobicContact CG2-CD2 4.38Å; I548-F628 HydrophobicContact CG2-CE2 3.94Å; A549-F628 HydrophobicContact CB-CE1 4.19Å; A549-F628 HydrophobicContact CB-CE2 4.46Å; A549-F628 HydrophobicContact CB-CZ 3.68Å; F553-F628 AromaticContact CE2-CD1 3.75Å; F553-F628 HydrophobicContact CE2-CD1 3.75Å; F553-F628 HydrophobicContact CE2-CE1 4.03Å; F553-F628 HydrophobicContact CE2-CG 4.03Å; F553-F628 HydrophobicContact CZ-CD1 4.46Å; F591-F628 HydrophobicContact CE2-CE1 4.36Å; F591-F628 HydrophobicContact CZ-CE1 4.22Å; S625-F628 WeakPolarHBondContact O-CB 3.29Å; S625-F628 PolarHBondContact O-N 2.72Å; S625-F628 VanDerWaalsContact O-N 3.1Å; K626-F628 VanDerWaalsContact C-N 3.31Å; K626-F628 PolarHBondContact O-N 3.46Å; F628-I631 PolarHBondContact O-N 3.24Å; F628-I632 HydrophobicContact CD1-CD1 3.8Å; F628-I632 HydrophobicContact CE1-CD1 3.25Å; F628-I632 HydrophobicContact CE2-CD1 4.1Å; F628-I632 HydrophobicContact CG-CD1 4.41Å; F628-I632 HydrophobicContact CZ-CD1 3.41Å; F628-I632 VanDerWaalsContact CZ-CD1 3.41Å; F628-I632 HydrophobicContact CZ-CG1 4.47Å; F628-I632 WeakPolarHBondContact O-CG1 3.26Å; F628-I632 PolarHBondContact O-N 2.96Å; F628-I632 VanDerWaalsContact O-N 3.15Å
629F95.5Very high93.3Very high0 Ų046.4 Ų46.40%022%0.219CC..Hα-helixtrans-69.4-36.1179-63.3-76.3000112.9F591 I604 W610 T614 Y617 S625 K626 L627 I632 H633F591-F629 HydrophobicContact CE2-CE1 4.38Å; F591-F629 HydrophobicContact CE2-CZ 4.36Å; I604-F629 HydrophobicContact CD1-CD1 3.81Å; I604-F629 HydrophobicContact CD1-CE1 3.6Å; W610-F629 HydrophobicContact CE3-CB 4.37Å; W610-F629 HydrophobicContact CZ3-CB 4.01Å; T614-F629 HydrophobicContact CG2-CB 4.36Å; T614-F629 HydrophobicContact CG2-CD2 3.48Å; T614-F629 VanDerWaalsContact CG2-CD2 3.48Å; T614-F629 HydrophobicContact CG2-CE2 4.05Å; T614-F629 HydrophobicContact CG2-CG 4.09Å; T614-F629 WeakPolarHBondContact OG1-CG 3.48Å; Y617-F629 HydrophobicContact CD2-CE1 4.41Å; Y617-F629 HydrophobicContact CD2-CE2 4.11Å; Y617-F629 AromaticContact CD2-CZ 3.47Å; Y617-F629 HydrophobicContact CD2-CZ 3.47Å; Y617-F629 VanDerWaalsContact CD2-CZ 3.47Å; Y617-F629 AromaticContact CE2-CZ 4Å; Y617-F629 HydrophobicContact CE2-CZ 4Å; Y617-F629 HydrophobicContact CG-CE2 4.24Å; Y617-F629 AromaticContact CG-CZ 3.94Å; Y617-F629 HydrophobicContact CG-CZ 3.94Å; S625-F629 VanDerWaalsContact O-CD2 3.26Å; S625-F629 WeakPolarHBondContact O-CD2 2.99Å; K626-F629 PolarHBondContact O-N 2.73Å; L627-F629 VanDerWaalsContact C-N 3.35Å; L627-F629 PolarHBondContact O-N 2.88Å; F629-I632 PolarHBondContact O-N 3.16Å; F629-H633 WeakPolarHBondContact O-CB 3.13Å; F629-H633 PolarHBondContact O-N 2.93Å
630I94.1Very high93.3Very high40 Ų4044 Ų4421%0.20521%0.207CC..Hα-helixtrans-62.6-44.8174.4-69.1167.5000110.9W227 Y230 K626 L627 I632 H633 W634W227-I630 HydrophobicContact CE3-CD1 4.17Å; W227-I630 HydrophobicContact CZ3-CD1 3.96Å; W227-I630 HydrophobicContact CZ3-CG1 3.92Å; Y230-I630 HydrophobicContact CD1-CG1 4.49Å; Y230-I630 HydrophobicContact CE1-CG1 4.08Å; K626-I630 WeakPolarHBondContact O-CG1 3.26Å; K626-I630 PolarHBondContact O-N 3.35Å; L627-I630 PolarHBondContact O-N 3.49Å; I630-I632 VanDerWaalsContact C-N 3.33Å; I630-I632 PolarHBondContact O-N 2.95Å; I630-H633 PolarHBondContact O-N 3.09Å; I630-W634 PolarHBondContact O-N 3.15Å
631I94.7Very high93.3Very high85 Ų8545.7 Ų45.744%0.43622%0.215SC..Hα-helixtrans-61.7-42.6178.6-69.4166.3000110.7F545 L627 F628 W634 I635F545-I631 HydrophobicContact CE1-CG2 4.03Å; F545-I631 HydrophobicContact CZ-CG2 4.06Å; L627-I631 VanDerWaalsContact O-CG1 3.26Å; L627-I631 WeakPolarHBondContact O-CG1 3.49Å; L627-I631 PolarHBondContact O-N 3.42Å; F628-I631 PolarHBondContact O-N 3.24Å; I631-W634 PolarHBondContact O-N 3.36Å; I631-I635 HydrophobicContact CG2-CD1 3.77Å; I631-I635 HydrophobicContact CG2-CG1 4.49Å; I631-I635 WeakPolarHBondContact O-CB 3.38Å; I631-I635 WeakPolarHBondContact O-CG1 3.27Å; I631-I635 PolarHBondContact O-N 2.99Å
632I95.1Very high93.2Very high0 Ų044.8 Ų44.80%021%0.208CC..Hα-helixtrans-60.7-47.9174.9-72164.4000110.6F545 L601 I604 F628 F629 I630 W634 I635 C636F545-I632 HydrophobicContact CB-CD1 4.37Å; F545-I632 HydrophobicContact CB-CG1 4.44Å; F545-I632 HydrophobicContact CD1-CD1 4.13Å; F545-I632 HydrophobicContact CD1-CG1 3.64Å; F545-I632 HydrophobicContact CD2-CG1 3.92Å; F545-I632 HydrophobicContact CE1-CG1 3.73Å; F545-I632 HydrophobicContact CE2-CG1 4.01Å; F545-I632 HydrophobicContact CG-CD1 4.17Å; F545-I632 HydrophobicContact CG-CG1 3.75Å; F545-I632 HydrophobicContact CZ-CG1 3.92Å; L601-I632 HydrophobicContact CD2-CD1 3.56Å; L601-I632 HydrophobicContact CD2-CG1 4.4Å; L601-I632 HydrophobicContact CD2-CG2 4.47Å; I604-I632 HydrophobicContact CG2-CG2 4.45Å; F628-I632 HydrophobicContact CD1-CD1 3.8Å; F628-I632 HydrophobicContact CE1-CD1 3.25Å; F628-I632 HydrophobicContact CE2-CD1 4.1Å; F628-I632 HydrophobicContact CG-CD1 4.41Å; F628-I632 HydrophobicContact CZ-CD1 3.41Å; F628-I632 VanDerWaalsContact CZ-CD1 3.41Å; F628-I632 HydrophobicContact CZ-CG1 4.47Å; F628-I632 WeakPolarHBondContact O-CG1 3.26Å; F628-I632 PolarHBondContact O-N 2.96Å; F628-I632 VanDerWaalsContact O-N 3.15Å; F629-I632 PolarHBondContact O-N 3.16Å; I630-I632 VanDerWaalsContact C-N 3.33Å; I630-I632 PolarHBondContact O-N 2.95Å; I632-W634 PolarHBondContact O-N 3.39Å; I632-I635 PolarHBondContact O-N 3.32Å; I632-C636 HydrophobicContact CG2-CB 4.5Å; I632-C636 VanDerWaalsContact O-CB 3.25Å; I632-C636 WeakPolarHBondContact O-CB 3.48Å; I632-C636 PolarHBondContact O-N 3.09Å
633H93.3Very high93.1Very high6 Ų641 Ų413%0.02819%0.185CC..Iπ-helixtrans-60.2-45.7179.6-173.886.9000111.5Y230 T234 F629 I630 V637 L638Y230-H633 AromaticContact CZ-CD2 3.99Å; Y230-H633 PolarHBondContact OH-CD2 3.38Å; T234-H633 VanDerWaalsContact CG2-CE1 3.46Å; T234-H633 WeakPolarHBondContact CG2-CE1 3.44Å; F629-H633 WeakPolarHBondContact O-CB 3.13Å; F629-H633 PolarHBondContact O-N 2.93Å; I630-H633 PolarHBondContact O-N 3.09Å; H633-V637 WeakPolarHBondContact O-CA 3.29Å; H633-V637 VanDerWaalsContact O-CB 3.23Å; H633-V637 WeakPolarHBondContact O-CB 3.45Å; H633-V637 PolarHBondContact O-N 3.3Å; H633-L638 PolarHBondContact O-N 3Å
634W91.4Very high92.9Very high94 Ų9436.4 Ų36.436%0.35617%0.17SC..Iπ-helixtrans-61.2-48.9178.3-84.329.8000112.7Y230 I630 I631 I632 L638 L639Y230-W634 AromaticContact CE2-NE1 3.75Å; Y230-W634 AromaticContact CZ-NE1 3.84Å; Y230-W634 PolarHBondContact OH-NE1 2.92Å; I630-W634 PolarHBondContact O-N 3.15Å; I631-W634 PolarHBondContact O-N 3.36Å; I632-W634 PolarHBondContact O-N 3.39Å; W634-L638 HydrophobicContact CG-CD1 4.33Å; W634-L639 PolarHBondContact O-N 2.72Å; W634-L639 VanDerWaalsContact O-N 3.12Å
635I92.7Very high92.8Very high53 Ų5330.6 Ų30.627%0.27215%0.153SC..Iπ-helixtrans-77.8-48.6-174.2-62.6176.4000110.9L541 F545 I631 I632 L639 V640L541-I635 HydrophobicContact CD1-CG2 3.73Å; L541-I635 HydrophobicContact CD2-CG2 3.99Å; L541-I635 HydrophobicContact CG-CG2 4.5Å; F545-I635 HydrophobicContact CZ-CD1 4.23Å; I631-I635 HydrophobicContact CG2-CD1 3.77Å; I631-I635 HydrophobicContact CG2-CG1 4.49Å; I631-I635 WeakPolarHBondContact O-CB 3.38Å; I631-I635 WeakPolarHBondContact O-CG1 3.27Å; I631-I635 PolarHBondContact O-N 2.99Å; I632-I635 PolarHBondContact O-N 3.32Å; I635-L639 WeakPolarHBondContact O-CB 2.98Å; I635-V640 WeakPolarHBondContact O-CG2 3.5Å; I635-V640 PolarHBondContact O-N 2.79Å
636C94.4Very high92.5Very high0 Ų030.4 Ų30.40%015%0.152CC..Iπ-helixtrans-80.3-45.4-173.6-59.20000112L538 F542 T605 I632 V640 L641L538-C636 HydrophobicContact CD1-CB 4Å; F542-C636 HydrophobicContact CE1-CB 4.47Å; T605-C636 HydrophobicContact CG2-CB 4.27Å; I632-C636 HydrophobicContact CG2-CB 4.5Å; I632-C636 VanDerWaalsContact O-CB 3.25Å; I632-C636 WeakPolarHBondContact O-CB 3.48Å; I632-C636 PolarHBondContact O-N 3.09Å; C636-V640 WeakPolarHBondContact O-CB 3.3Å; C636-L641 WeakPolarHBondContact O-CG 3.38Å; C636-L641 PolarHBondContact O-N 3.37Å
637V92.8Very high92.1Very high28 Ų2829.6 Ų29.617%0.1715%0.149CC..Iπ-helixtrans-87.4-60.7-174.3-173.50000110.8T605 H633 L639 L641T605-V637 HydrophobicContact CG2-CG2 4.08Å; T605-V637 WeakPolarHBondContact O-CG2 3.48Å; H633-V637 WeakPolarHBondContact O-CA 3.29Å; H633-V637 VanDerWaalsContact O-CB 3.23Å; H633-V637 WeakPolarHBondContact O-CB 3.45Å; H633-V637 PolarHBondContact O-N 3.3Å; V637-L639 VanDerWaalsContact C-N 3.34Å; V637-L639 PolarHBondContact O-N 2.93Å; V637-L641 HydrophobicContact CG1-CD1 4.45Å; V637-L641 WeakPolarHBondContact O-CB 3.34Å
638L91Very high91.6Very high4 Ų428.5 Ų28.52%0.02114%0.143CC..Iπ-helixtrans-70.8-28.7-172.2-57.5-179.6000113.3F187 M268 L271 H633 W634 N642F187-L638 HydrophobicContact CD1-CD1 4.46Å; F187-L638 HydrophobicContact CE1-CB 3.75Å; F187-L638 HydrophobicContact CE1-CD1 3.69Å; F187-L638 HydrophobicContact CE1-CG 4.34Å; F187-L638 HydrophobicContact CZ-CB 3.85Å; M268-L638 HydrophobicContact CE-CD2 3.69Å; M268-L638 HydrophobicContact SD-CD2 4.27Å; L271-L638 HydrophobicContact CD1-CB 4.48Å; L271-L638 HydrophobicContact CD2-CB 4.47Å; L271-L638 WeakPolarHBondContact CD2-O 3.29Å; H633-L638 PolarHBondContact O-N 3Å; W634-L638 HydrophobicContact CG-CD1 4.33Å; L638-N642 WeakPolarHBondContact O-CB 3.38Å; L638-N642 PolarHBondContact O-ND2 3.21Å
639L91.3Very high91.2Very high2 Ų230.9 Ų30.91%0.0116%0.156CC..Iπ-helixtrans-101.4-67.6178.8-177.476.7000112.5L176 T179 L180 W634 I635 V637 N642 V643L176-L639 HydrophobicContact CD1-CD2 4.34Å; L176-L639 HydrophobicContact CD1-CG 4.44Å; L176-L639 HydrophobicContact CD2-CD2 3.5Å; L176-L639 VanDerWaalsContact CD2-CD2 3.5Å; L176-L639 HydrophobicContact CD2-CG 4.37Å; L176-L639 HydrophobicContact CG-CD2 3.82Å; L176-L639 HydrophobicContact CG-CG 4.16Å; T179-L639 HydrophobicContact CG2-CD1 4.43Å; L180-L639 HydrophobicContact CB-CD1 4.04Å; L180-L639 HydrophobicContact CB-CD2 3.96Å; L180-L639 HydrophobicContact CD1-CD1 4.35Å; L180-L639 HydrophobicContact CD1-CD2 4.1Å; L180-L639 HydrophobicContact CD2-CD2 4.32Å; L180-L639 HydrophobicContact CG-CD2 4.34Å; W634-L639 PolarHBondContact O-N 2.72Å; W634-L639 VanDerWaalsContact O-N 3.12Å; I635-L639 WeakPolarHBondContact O-CB 2.98Å; V637-L639 VanDerWaalsContact C-N 3.34Å; V637-L639 PolarHBondContact O-N 2.93Å; L639-N642 PolarHBondContact O-N 3.12Å; L639-V643 VanDerWaalsContact O-CG2 3.31Å; L639-V643 WeakPolarHBondContact O-CG2 3.32Å; L639-V643 PolarHBondContact O-N 3.49Å
640V92.8Very high90.5Very high1 Ų131.7 Ų31.71%0.00616%0.16CC..Iπ-helixtrans-64.4-50.4-169.9178.20000112L176 L538 L541 I635 C636 N642 V643 V644L176-V640 HydrophobicContact CD1-CB 4.25Å; L176-V640 HydrophobicContact CD1-CG2 3.53Å; L538-V640 HydrophobicContact CB-CG1 4.15Å; L538-V640 HydrophobicContact CD1-CG1 4.17Å; L541-V640 HydrophobicContact CD1-CG2 3.51Å; I635-V640 WeakPolarHBondContact O-CG2 3.5Å; I635-V640 PolarHBondContact O-N 2.79Å; C636-V640 WeakPolarHBondContact O-CB 3.3Å; V640-N642 VanDerWaalsContact C-N 3.35Å; V640-N642 PolarHBondContact O-N 2.9Å; V640-V643 PolarHBondContact O-N 2.9Å; V640-V644 WeakPolarHBondContact O-CG2 3.33Å; V640-V644 PolarHBondContact O-N 3.43Å
641L92.5Very high89.7Confident63 Ų6329.8 Ų29.833%0.3315%0.15SC..Iπ-helixtrans-64.8-37.6-179.7-73.4-176.1000112.5L538 T605 C636 V637 V644 L645L538-L641 HydrophobicContact CD2-CD2 4.35Å; T605-L641 HydrophobicContact CG2-CD1 3.69Å; T605-L641 HydrophobicContact CG2-CG 4.29Å; C636-L641 WeakPolarHBondContact O-CG 3.38Å; C636-L641 PolarHBondContact O-N 3.37Å; V637-L641 HydrophobicContact CG1-CD1 4.45Å; V637-L641 WeakPolarHBondContact O-CB 3.34Å; L641-V644 WeakPolarHBondContact O-CB 3.14Å; L641-V644 PolarHBondContact O-N 2.52Å; L641-L645 WeakPolarHBondContact O-CB 3.38Å; L641-L645 PolarHBondContact O-N 3.28Å
642N91.5Very high89Confident26 Ų2630 Ų3014%0.13915%0.148CC..Hα-helixtrans-66.3-35174.6-78.5-26.9000112.6L271 V275 L638 L639 V640 L645 A646L271-N642 WeakPolarHBondContact CD2-ND2 3.43Å; V275-N642 HydrophobicContact CB-CB 4.39Å; V275-N642 HydrophobicContact CG1-CB 4.01Å; V275-N642 HydrophobicContact CG2-CB 4.45Å; L638-N642 WeakPolarHBondContact O-CB 3.38Å; L638-N642 PolarHBondContact O-ND2 3.21Å; L639-N642 PolarHBondContact O-N 3.12Å; V640-N642 VanDerWaalsContact C-N 3.35Å; V640-N642 PolarHBondContact O-N 2.9Å; N642-L645 PolarHBondContact O-N 3.32Å; N642-A646 WeakPolarHBondContact O-CB 3.27Å; N642-A646 PolarHBondContact O-N 2.91Å
643V90.8Very high88.2Confident0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-66.4-41.2171.1169.40000111.3T179 V275 Y279 Y534 L639 V640 L645 A646 F647T179-V643 HydrophobicContact CG2-CG2 4.28Å; V275-V643 HydrophobicContact CG1-CB 4.37Å; V275-V643 HydrophobicContact CG1-CG2 3.47Å; V275-V643 VanDerWaalsContact CG1-CG2 3.47Å; Y279-V643 HydrophobicContact CD2-CG1 3.62Å; Y279-V643 HydrophobicContact CE2-CG1 3.77Å; Y279-V643 HydrophobicContact CG-CG1 4.27Å; Y534-V643 HydrophobicContact CD1-CG1 3.91Å; Y534-V643 HydrophobicContact CE1-CG1 3.75Å; L639-V643 VanDerWaalsContact O-CG2 3.31Å; L639-V643 WeakPolarHBondContact O-CG2 3.32Å; L639-V643 PolarHBondContact O-N 3.49Å; V640-V643 PolarHBondContact O-N 2.9Å; V643-L645 VanDerWaalsContact C-N 3.34Å; V643-A646 WeakPolarHBondContact O-CB 3.47Å; V643-A646 PolarHBondContact O-N 3.26Å; V643-F647 PolarHBondContact O-N 2.72Å
644V89.2Confident87.2Confident24 Ų2435.3 Ų35.315%0.14518%0.175CC..Hα-helixtrans-60.9-45.5175.1169.40000110.6L531 Y534 V640 L641 A646 F647 I648L531-V644 HydrophobicContact CD2-CG1 3.87Å; Y534-V644 HydrophobicContact CG-CG2 4.34Å; V640-V644 WeakPolarHBondContact O-CG2 3.33Å; V640-V644 PolarHBondContact O-N 3.43Å; L641-V644 WeakPolarHBondContact O-CB 3.14Å; L641-V644 PolarHBondContact O-N 2.52Å; V644-A646 PolarHBondContact O-N 3.5Å; V644-F647 PolarHBondContact O-N 3.45Å; V644-I648 HydrophobicContact CG1-CD1 3.89Å; V644-I648 HydrophobicContact CG1-CG1 4.47Å; V644-I648 WeakPolarHBondContact O-CG1 3.31Å; V644-I648 PolarHBondContact O-N 2.89Å
645L89.8Confident86.2Confident76 Ų7633.8 Ų33.840%0.39817%0.173SC..Hα-helixtrans-59.4-46.3175.6179.364000111.3T272 L641 N642 V643 F647 I648 I649T272-L645 HydrophobicContact CG2-CD2 4.19Å; L641-L645 WeakPolarHBondContact O-CB 3.38Å; L641-L645 PolarHBondContact O-N 3.28Å; N642-L645 PolarHBondContact O-N 3.32Å; V643-L645 VanDerWaalsContact C-N 3.34Å; L645-F647 VanDerWaalsContact C-N 3.31Å; L645-F647 PolarHBondContact O-N 3.14Å; L645-I648 PolarHBondContact O-N 3.45Å; L645-I649 HydrophobicContact CD1-CD1 4.07Å; L645-I649 HydrophobicContact CD1-CG1 4.32Å; L645-I649 HydrophobicContact CG-CD1 3.92Å; L645-I649 WeakPolarHBondContact O-CG1 3.32Å; L645-I649 PolarHBondContact O-N 3.37Å
646A86.9Confident85.1Confident3 Ų339.2 Ų39.23%0.02519%0.191CC..Hα-helixtrans-57.3-44.3177.100000112.2Y276 Y279 N642 V643 V644 I649 E650Y276-A646 HydrophobicContact CD2-CB 3.63Å; Y276-A646 HydrophobicContact CG-CB 4.27Å; Y279-A646 HydrophobicContact CD1-CB 4.15Å; N642-A646 WeakPolarHBondContact O-CB 3.27Å; N642-A646 PolarHBondContact O-N 2.91Å; V643-A646 WeakPolarHBondContact O-CB 3.47Å; V643-A646 PolarHBondContact O-N 3.26Å; V644-A646 PolarHBondContact O-N 3.5Å; A646-I649 PolarHBondContact O-N 2.95Å; A646-E650 PolarHBondContact O-N 2.85Å; A646-E650 VanDerWaalsContact O-N 3.12Å
647F84.2Confident84Confident6 Ų644.5 Ų44.53%0.02622%0.219CC..Hα-helixtrans-64.2-43.1176.1175-95.9000112.7Y279 I527 L531 Y534 V643 V644 L645 E650 A651Y279-F647 HydrophobicContact CE1-CB 4.11Å; Y279-F647 HydrophobicContact CE1-CD2 4.46Å; Y279-F647 VanDerWaalsContact OH-CD2 3.25Å; Y279-F647 WeakPolarHBondContact OH-CD2 3.37Å; I527-F647 HydrophobicContact CG2-CE1 3.82Å; L531-F647 HydrophobicContact CD2-CD1 3.57Å; L531-F647 HydrophobicContact CD2-CE1 4Å; L531-F647 HydrophobicContact CG-CD1 4.2Å; L531-F647 HydrophobicContact CG-CE1 4.12Å; Y534-F647 HydrophobicContact CE2-CB 4.47Å; Y534-F647 HydrophobicContact CE2-CD2 4.27Å; Y534-F647 HydrophobicContact CE2-CG 4.16Å; V643-F647 PolarHBondContact O-N 2.72Å; V644-F647 PolarHBondContact O-N 3.45Å; L645-F647 VanDerWaalsContact C-N 3.31Å; L645-F647 PolarHBondContact O-N 3.14Å; F647-E650 PolarHBondContact O-N 2.77Å; F647-A651 HydrophobicContact CE1-CB 4.26Å; F647-A651 HydrophobicContact CZ-CB 4.03Å; F647-A651 VanDerWaalsContact O-CB 3.29Å; F647-A651 WeakPolarHBondContact O-CB 3.35Å; F647-A651 PolarHBondContact O-N 3.47Å
648I85.2Confident82.3Confident66 Ų6648.4 Ų48.434%0.33825%0.248SC..Hα-helixtrans-61.7-45.4178.1-68.5170.5000110.6L531 V644 L645 A651 F652L531-I648 HydrophobicContact CD1-CD1 4.23Å; L531-I648 HydrophobicContact CD1-CG1 4.15Å; L531-I648 HydrophobicContact CD2-CD1 4.08Å; L531-I648 HydrophobicContact CD2-CG1 3.72Å; L531-I648 HydrophobicContact CG-CG1 4.46Å; V644-I648 HydrophobicContact CG1-CD1 3.89Å; V644-I648 HydrophobicContact CG1-CG1 4.47Å; V644-I648 WeakPolarHBondContact O-CG1 3.31Å; V644-I648 PolarHBondContact O-N 2.89Å; L645-I648 PolarHBondContact O-N 3.45Å; I648-A651 PolarHBondContact O-N 3.31Å; I648-F652 VanDerWaalsContact O-CB 3.24Å; I648-F652 WeakPolarHBondContact O-CB 3.27Å; I648-F652 PolarHBondContact O-N 3.22Å
649I85.9Confident80.7Confident72 Ų7256.6 Ų56.637%0.36929%0.286SS..Hα-helixtrans-59.8-49.8179.2-68.5168.2000110L645 A646 A651 F652 L653L645-I649 HydrophobicContact CD1-CD1 4.07Å; L645-I649 HydrophobicContact CD1-CG1 4.32Å; L645-I649 HydrophobicContact CG-CD1 3.92Å; L645-I649 WeakPolarHBondContact O-CG1 3.32Å; L645-I649 PolarHBondContact O-N 3.37Å; A646-I649 PolarHBondContact O-N 2.95Å; I649-A651 PolarHBondContact O-N 2.88Å; I649-F652 PolarHBondContact O-N 3.02Å; I649-L653 HydrophobicContact CG2-CD1 3.89Å; I649-L653 HydrophobicContact CG2-CG 4.35Å; I649-L653 WeakPolarHBondContact O-CB 3.04Å; I649-L653 VanDerWaalsContact O-CG 3.26Å; I649-L653 WeakPolarHBondContact O-CG 3.1Å; I649-L653 PolarHBondContact O-N 2.93Å
650E81.5Confident79.4Confident16 Ų1661.2 Ų61.28%0.07531%0.307CS..Hα-helixtrans-62.4-44.4-179.4-166.270.4-177.500112Y276 K280 A646 F647 F652 L653 I654 M732Y276-E650 PolarHBondContact OH-OE2 3.09Å; K280-E650 IonicContact NZ-OE1 2.6Å; K280-E650 PolarHBondContact NZ-OE1 3.27Å; K280-E650 IonicContact NZ-OE2 3.63Å; A646-E650 PolarHBondContact O-N 2.85Å; A646-E650 VanDerWaalsContact O-N 3.12Å; F647-E650 PolarHBondContact O-N 2.77Å; E650-F652 VanDerWaalsContact C-N 3.35Å; E650-F652 PolarHBondContact O-N 3.43Å; E650-L653 PolarHBondContact O-N 3.1Å; E650-I654 HydrophobicContact CG-CD1 4.25Å; E650-I654 WeakPolarHBondContact O-CG1 3.47Å; E650-I654 PolarHBondContact O-N 3.1Å; E650-M732 HydrophobicContact CB-CE 4.4Å; E650-M732 HydrophobicContact CB-SD 4.43Å; E650-M732 HydrophobicContact CG-CE 3.94Å; E650-M732 HydrophobicContact CG-SD 3.47Å; E650-M732 WeakPolarHBondContact CG-SD 3.34Å
651A77.1Confident78.2Confident0 Ų061.7 Ų61.70%031%0.31CS..Hα-helixtrans-67.3-36.7-179.600000112.1I527 F647 I648 I649 E655 L728 M732I527-A651 HydrophobicContact CD1-CB 3.75Å; I527-A651 HydrophobicContact CG1-CB 3.76Å; I527-A651 HydrophobicContact CG2-CB 4.06Å; F647-A651 HydrophobicContact CE1-CB 4.26Å; F647-A651 HydrophobicContact CZ-CB 4.03Å; F647-A651 VanDerWaalsContact O-CB 3.29Å; F647-A651 WeakPolarHBondContact O-CB 3.35Å; F647-A651 PolarHBondContact O-N 3.47Å; I648-A651 PolarHBondContact O-N 3.31Å; I649-A651 PolarHBondContact O-N 2.88Å; A651-E655 PolarHBondContact O-N 3.34Å; A651-L728 HydrophobicContact CB-CD2 4.05Å; A651-M732 HydrophobicContact CB-CE 4.26Å
652F78.6Confident77.2Confident90 Ų9064.3 Ų64.340%0.39532%0.319SS..Hα-helixtrans-69.6-42.6176.1-173.1-92.7000112.1C523 I527 I648 I649 E650 I654 E655 Y656C523-F652 VanDerWaalsContact SG-CD2 3.53Å; I527-F652 HydrophobicContact CD1-CB 4.4Å; I648-F652 VanDerWaalsContact O-CB 3.24Å; I648-F652 WeakPolarHBondContact O-CB 3.27Å; I648-F652 PolarHBondContact O-N 3.22Å; I649-F652 PolarHBondContact O-N 3.02Å; E650-F652 VanDerWaalsContact C-N 3.35Å; E650-F652 PolarHBondContact O-N 3.43Å; F652-I654 VanDerWaalsContact C-N 3.26Å; F652-I654 PolarHBondContact O-N 3.25Å; F652-E655 PolarHBondContact O-N 3.24Å; F652-Y656 HydrophobicContact CE1-CD2 4.23Å; F652-Y656 HydrophobicContact CE1-CG 4.45Å; F652-Y656 HydrophobicContact CZ-CD2 4.3Å; F652-Y656 VanDerWaalsContact O-CB 3.26Å; F652-Y656 WeakPolarHBondContact O-CB 3.46Å; F652-Y656 PolarHBondContact O-N 3.11Å
653L79.2Confident76.3Confident83 Ų8364.7 Ų64.744%0.43532%0.32SS..Hα-helixtrans-57.5-41.3177.2-74.1172.8000111.4I649 E650 Y656 D657I649-L653 HydrophobicContact CG2-CD1 3.89Å; I649-L653 HydrophobicContact CG2-CG 4.35Å; I649-L653 WeakPolarHBondContact O-CB 3.04Å; I649-L653 VanDerWaalsContact O-CG 3.26Å; I649-L653 WeakPolarHBondContact O-CG 3.1Å; I649-L653 PolarHBondContact O-N 2.93Å; E650-L653 PolarHBondContact O-N 3.1Å; L653-Y656 PolarHBondContact O-N 3.1Å; L653-D657 WeakPolarHBondContact O-CB 3.2Å; L653-D657 PolarHBondContact O-N 2.93Å
654I71.7Confident75.7Confident34 Ų3465.4 Ų65.417%0.17432%0.323CS..Hα-helixtrans-74.5-33.3-178-68173.2000112.8E650 F652 L728 M732E650-I654 HydrophobicContact CG-CD1 4.25Å; E650-I654 WeakPolarHBondContact O-CG1 3.47Å; E650-I654 PolarHBondContact O-N 3.1Å; F652-I654 VanDerWaalsContact C-N 3.26Å; F652-I654 PolarHBondContact O-N 3.25Å; I654-L728 HydrophobicContact CB-CD1 4.18Å; I654-L728 HydrophobicContact CG2-CD1 3.53Å; I654-M732 HydrophobicContact CD1-CB 3.63Å; I654-M732 HydrophobicContact CD1-CE 3.83Å; I654-M732 HydrophobicContact CD1-CG 3.2Å; I654-M732 HydrophobicContact CD1-SD 3.77Å
655E71.2Confident75.3Confident63 Ų6368.4 Ų68.429%0.29434%0.338SS..Hα-helixtrans-76.5-30.6174.9-166.166.7-166.100111.7C523 A651 F652C523-E655 HydrophobicContact CB-CG 3.97Å; A651-E655 PolarHBondContact O-N 3.34Å; F652-E655 PolarHBondContact O-N 3.24Å
656Y70.1Confident75Confident167 Ų16767.7 Ų67.766%0.65533%0.33SS*.Hα-helixtrans-74.2-39.1176.5-168.6-92.8000112F652 L653 S658F652-Y656 HydrophobicContact CE1-CD2 4.23Å; F652-Y656 HydrophobicContact CE1-CG 4.45Å; F652-Y656 HydrophobicContact CZ-CD2 4.3Å; F652-Y656 VanDerWaalsContact O-CB 3.26Å; F652-Y656 WeakPolarHBondContact O-CB 3.46Å; F652-Y656 PolarHBondContact O-N 3.11Å; L653-Y656 PolarHBondContact O-N 3.1Å; Y656-S658 PolarHBondContact O-N 3.42Å
657D70Confident74.8Confident111 Ų11167.6 Ų67.659%0.59433%0.329SS*.SBendtrans-72.974.8169.1-76.8-16.3000109.4L653 Q659L653-D657 WeakPolarHBondContact O-CB 3.2Å; L653-D657 PolarHBondContact O-N 2.93Å; D657-Q659 PolarHBondContact O-N 2.94Å
658S57.4Low74.8Confident110 Ų11068.7 Ų68.777%0.76934%0.336SS*.  trans-68.330.7-176.974.50000114.3Y656 Q660Y656-S658 PolarHBondContact O-N 3.42Å; S658-Q660 PolarHBondContact O-N 3.36Å
659Q58Low74.9Confident175 Ų17571.3 Ų71.382%0.81835%0.346SS*.PPolyproline II helixtrans-73.1124.1171.3-65.1-164.3-17.400108.1D657 S661D657-Q659 PolarHBondContact O-N 2.94Å; Q659-S661 PolarHBondContact O-N 3.17Å
660Q63.5Low74.9Confident99 Ų9969 Ų6946%0.46333%0.333SS..PPolyproline II helixtrans-54.1126.6168.3-71.1-177.8-12.100107.7S658 L665S658-Q660 PolarHBondContact O-N 3.36Å; Q660-L665 HydrophobicContact CB-CD1 4.45Å; Q660-L665 HydrophobicContact CB-CD2 4.21Å; Q660-L665 HydrophobicContact CB-CG 3.94Å
661S67.3Low75.2Confident11 Ų1168.3 Ų68.38%0.07733%0.33CS..PPolyproline II helixtrans-63.5154.1179.468.70000109.6Q659 F663 E664 L665Q659-S661 PolarHBondContact O-N 3.17Å; S661-F663 PolarHBondContact O-N 3.31Å; S661-F663 VanDerWaalsContact O-N 3.11Å; S661-E664 PolarHBondContact O-N 2.9Å; S661-E664 WeakPolarHBondContact OG-CG 3.43Å; S661-E664 PolarHBondContact OG-N 3.3Å; S661-L665 PolarHBondContact O-N 2.91Å; S661-L665 VanDerWaalsContact O-N 3.07Å
662K72.7Confident75.7Confident118 Ų11871.4 Ų71.451%0.51335%0.346SS..Hα-helixtrans-54.4-36.5178.9-63.5179.1-174.4171.50110.8L665 Y666 E738K662-L665 PolarHBondContact O-N 3.23Å; K662-Y666 WeakPolarHBondContact O-CB 3.42Å; K662-Y666 PolarHBondContact O-N 3.38Å; K662-E738 IonicContact NZ-OE1 3.9Å; K662-E738 IonicContact NZ-OE2 2.84Å; K662-E738 PolarHBondContact NZ-OE2 3.39Å
663F72.6Confident76Confident35 Ų3571.4 Ų71.415%0.15435%0.35CS..Hα-helixtrans-55.9-45.8172178.9-102.1000114.3E362 Y363 S661 Y666 I667 E734E362-F663 HydrophobicContact CB-CE2 4.22Å; Y363-F663 AromaticContact CD1-CE2 3.66Å; Y363-F663 HydrophobicContact CD1-CE2 3.66Å; Y363-F663 AromaticContact CD1-CZ 3.84Å; Y363-F663 HydrophobicContact CD1-CZ 3.84Å; Y363-F663 HydrophobicContact CD2-CE2 4.32Å; Y363-F663 HydrophobicContact CE1-CD2 4.21Å; Y363-F663 AromaticContact CE1-CE2 3.47Å; Y363-F663 HydrophobicContact CE1-CE2 3.47Å; Y363-F663 VanDerWaalsContact CE1-CE2 3.47Å; Y363-F663 HydrophobicContact CE1-CZ 4.09Å; Y363-F663 HydrophobicContact CE2-CE2 4.18Å; Y363-F663 HydrophobicContact CG-CE2 4.11Å; Y363-F663 HydrophobicContact CG-CZ 4.26Å; Y363-F663 AromaticContact CZ-CE2 3.77Å; S661-F663 PolarHBondContact O-N 3.31Å; S661-F663 VanDerWaalsContact O-N 3.11Å; F663-Y666 PolarHBondContact O-N 3.12Å; F663-I667 HydrophobicContact CD1-CD1 3.94Å; F663-I667 HydrophobicContact CE1-CD1 3.39Å; F663-I667 HydrophobicContact CE2-CD1 4.09Å; F663-I667 HydrophobicContact CZ-CD1 3.5Å; F663-I667 VanDerWaalsContact CZ-CD1 3.5Å; F663-I667 WeakPolarHBondContact O-CG1 3.49Å; F663-I667 PolarHBondContact O-N 3.2Å; F663-I667 VanDerWaalsContact O-N 3.09Å; F663-E734 PolarHBondContact N-OE1 3.19Å
664E76.7Confident76.2Confident15 Ų1569.8 Ų69.87%0.0734%0.342CS..Hα-helixtrans-71-39.7179.6-67.2-174.2154.100112.2S661 Y666 I667 N668 L718 R731S661-E664 PolarHBondContact O-N 2.9Å; S661-E664 WeakPolarHBondContact OG-CG 3.43Å; S661-E664 PolarHBondContact OG-N 3.3Å; E664-Y666 VanDerWaalsContact C-N 3.33Å; E664-Y666 PolarHBondContact O-N 3.31Å; E664-I667 PolarHBondContact O-N 2.96Å; E664-N668 WeakPolarHBondContact O-CB 3.26Å; E664-N668 PolarHBondContact O-N 3.26Å; E664-N668 PolarHBondContact O-ND2 2.94Å; E664-L718 HydrophobicContact CB-CD2 3.9Å; E664-L718 HydrophobicContact CG-CD2 3.9Å; E664-R731 IonicContact OE1-CZ 2.72Å; E664-R731 IonicContact OE1-NH2 2.85Å; E664-R731 PolarHBondContact OE1-NH2 3.32Å; E664-R731 IonicContact OE2-NH2 2.74Å
665L81.1Confident76.9Confident87 Ų8773.4 Ų73.446%0.45536%0.358SS..Hα-helixtrans-57.8-47.1173.4-73.9166000110.8Q660 S661 K662 I667 N668 E669Q660-L665 HydrophobicContact CB-CD1 4.45Å; Q660-L665 HydrophobicContact CB-CD2 4.21Å; Q660-L665 HydrophobicContact CB-CG 3.94Å; S661-L665 PolarHBondContact O-N 2.91Å; S661-L665 VanDerWaalsContact O-N 3.07Å; K662-L665 PolarHBondContact O-N 3.23Å; L665-I667 PolarHBondContact O-N 2.97Å; L665-N668 PolarHBondContact O-N 3.34Å; L665-E669 WeakPolarHBondContact O-CB 3.32Å; L665-E669 PolarHBondContact O-N 3.3Å
666Y83.7Confident77.5Confident61 Ų6172.8 Ų72.824%0.23936%0.356CS..Hα-helixtrans-60.9-43.7177174.5-98.2000112.7V343 K346 Y363 K662 F663 E664 E669 R670V343-Y666 HydrophobicContact CG1-CD1 4.49Å; V343-Y666 HydrophobicContact CG1-CE1 3.95Å; V343-Y666 PolarHBondContact O-OH 3.44Å; K346-Y666 WeakPolarHBondContact CG-OH 3.39Å; Y363-Y666 HydrophobicContact CE1-CD1 4.16Å; Y363-Y666 HydrophobicContact CE1-CE1 4.09Å; Y363-Y666 WeakPolarHBondContact OH-CE1 3.2Å; K662-Y666 WeakPolarHBondContact O-CB 3.42Å; K662-Y666 PolarHBondContact O-N 3.38Å; F663-Y666 PolarHBondContact O-N 3.12Å; E664-Y666 VanDerWaalsContact C-N 3.33Å; E664-Y666 PolarHBondContact O-N 3.31Å; Y666-E669 PolarHBondContact O-N 3.46Å; Y666-R670 WeakPolarHBondContact O-CB 3.49Å; Y666-R670 PolarHBondContact O-N 2.92Å
667I83.3Confident78.3Confident0 Ų065.2 Ų65.20%033%0.327CS..Hα-helixtrans-62.5-45.4176.1-69.4173.9000110.5V343 Y363 A366 F368 F663 E664 L665 R670 L671 L718V343-I667 HydrophobicContact CG1-CG1 4.16Å; Y363-I667 HydrophobicContact CD1-CD1 3.99Å; Y363-I667 HydrophobicContact CD1-CG1 4.12Å; Y363-I667 HydrophobicContact CE1-CD1 4.22Å; Y363-I667 HydrophobicContact CE1-CG1 3.96Å; A366-I667 HydrophobicContact CB-CD1 4.18Å; F368-I667 HydrophobicContact CE1-CG2 3.86Å; F368-I667 HydrophobicContact CZ-CG2 4.27Å; F663-I667 HydrophobicContact CD1-CD1 3.94Å; F663-I667 HydrophobicContact CE1-CD1 3.39Å; F663-I667 HydrophobicContact CE2-CD1 4.09Å; F663-I667 HydrophobicContact CZ-CD1 3.5Å; F663-I667 VanDerWaalsContact CZ-CD1 3.5Å; F663-I667 WeakPolarHBondContact O-CG1 3.49Å; F663-I667 PolarHBondContact O-N 3.2Å; F663-I667 VanDerWaalsContact O-N 3.09Å; E664-I667 PolarHBondContact O-N 2.96Å; L665-I667 PolarHBondContact O-N 2.97Å; I667-R670 PolarHBondContact O-N 3.25Å; I667-L671 HydrophobicContact CG2-CD1 3.88Å; I667-L671 HydrophobicContact CG2-CG 4.27Å; I667-L671 WeakPolarHBondContact O-CB 3.29Å; I667-L671 VanDerWaalsContact O-CG 3.25Å; I667-L671 WeakPolarHBondContact O-CG 3.15Å; I667-L671 PolarHBondContact O-N 2.96Å; I667-L718 HydrophobicContact CB-CD2 4.21Å; I667-L718 HydrophobicContact CD1-CD1 4.49Å; I667-L718 HydrophobicContact CD1-CD2 4.5Å; I667-L718 HydrophobicContact CG2-CD1 4.34Å; I667-L718 HydrophobicContact CG2-CD2 4.08Å
668N85Confident78.9Confident30 Ų3060 Ų6016%0.1630%0.298CS..Hα-helixtrans-65.4-40.9-179.5-75.3-31.4000112.2E664 L665 R670 L671 N672E664-N668 WeakPolarHBondContact O-CB 3.26Å; E664-N668 PolarHBondContact O-N 3.26Å; E664-N668 PolarHBondContact O-ND2 2.94Å; L665-N668 PolarHBondContact O-N 3.34Å; N668-R670 VanDerWaalsContact C-N 3.35Å; N668-L671 PolarHBondContact O-N 3.47Å; N668-N672 PolarHBondContact O-N 3.42Å; N668-N672 PolarHBondContact O-ND2 2.91Å; N668-N672 VanDerWaalsContact O-ND2 3.16Å; N668-N672 PolarHBondContact O-OD1 3.24Å
669E87Confident80.2Confident121 Ų12160.6 Ų60.657%0.56529%0.289SS*.Hα-helixtrans-59.9-46.3172.7-174.6177-165.900110.7L665 Y666 L671 N672 D673L665-E669 WeakPolarHBondContact O-CB 3.32Å; L665-E669 PolarHBondContact O-N 3.3Å; Y666-E669 PolarHBondContact O-N 3.46Å; E669-L671 PolarHBondContact O-N 3.43Å; E669-N672 WeakPolarHBondContact O-CA 3.4Å; E669-N672 VanDerWaalsContact O-CB 3.27Å; E669-N672 WeakPolarHBondContact O-CB 3.33Å; E669-N672 PolarHBondContact O-N 2.94Å; E669-D673 PolarHBondContact O-N 2.87Å
670R85.8Confident81.5Confident24 Ų2455.3 Ų55.39%0.09127%0.267CS..Hα-helixtrans-70.3-32.3-179.5-163.345.1162.9-156.4-12.9113.4H342 V343 D345 Y666 I667 N668 N672 D673 L674H342-R670 PolarHBondContact O-NE 3.45Å; V343-R670 HydrophobicContact CB-CG 4.42Å; V343-R670 HydrophobicContact CG2-CB 4.25Å; V343-R670 HydrophobicContact CG2-CG 4.04Å; D345-R670 PolarHBondContact O-NH2 2.93Å; Y666-R670 WeakPolarHBondContact O-CB 3.49Å; Y666-R670 PolarHBondContact O-N 2.92Å; I667-R670 PolarHBondContact O-N 3.25Å; N668-R670 VanDerWaalsContact C-N 3.35Å; R670-N672 VanDerWaalsContact C-N 3.27Å; R670-N672 PolarHBondContact O-N 2.96Å; R670-D673 IonicContact CZ-OD2 2.62Å; R670-D673 IonicContact NH1-OD2 2.78Å; R670-D673 PolarHBondContact NH1-OD2 3.31Å; R670-D673 PolarHBondContact O-N 2.89Å; R670-L674 HydrophobicContact CG-CD1 4.41Å; R670-L674 WeakPolarHBondContact O-CD1 3.44Å; R670-L674 VanDerWaalsContact O-CG 3.25Å; R670-L674 WeakPolarHBondContact O-CG 3.26Å; R670-L674 PolarHBondContact O-N 3.1Å
671L86.3Confident82.5Confident0 Ų051 Ų510%025%0.246CC..Hα-helixtrans-64-34.2169.3-75.3172.3000111.7V339 F368 I667 N668 E669 E675 M676 N677 F716V339-L671 HydrophobicContact CG1-CD2 3.5Å; F368-L671 HydrophobicContact CE1-CD1 4.4Å; I667-L671 HydrophobicContact CG2-CD1 3.88Å; I667-L671 HydrophobicContact CG2-CG 4.27Å; I667-L671 WeakPolarHBondContact O-CB 3.29Å; I667-L671 VanDerWaalsContact O-CG 3.25Å; I667-L671 WeakPolarHBondContact O-CG 3.15Å; I667-L671 PolarHBondContact O-N 2.96Å; N668-L671 PolarHBondContact O-N 3.47Å; E669-L671 PolarHBondContact O-N 3.43Å; L671-E675 PolarHBondContact O-N 3.07Å; L671-M676 HydrophobicContact CD2-CB 4.26Å; L671-M676 PolarHBondContact O-N 3.43Å; L671-N677 HydrophobicContact CB-CB 3.79Å; L671-N677 PolarHBondContact O-N 3.38Å; L671-F716 HydrophobicContact CD2-CB 4.25Å
672N87.7Confident83.3Confident65 Ų6550.4 Ų50.435%0.34824%0.243SC..Hα-helixtrans-67.8-45.8175.2-65.7-28.7000111.5N668 E669 R670 L674 E675 N677 N680N668-N672 PolarHBondContact O-N 3.42Å; N668-N672 PolarHBondContact O-ND2 2.91Å; N668-N672 VanDerWaalsContact O-ND2 3.16Å; N668-N672 PolarHBondContact O-OD1 3.24Å; E669-N672 WeakPolarHBondContact O-CA 3.4Å; E669-N672 VanDerWaalsContact O-CB 3.27Å; E669-N672 WeakPolarHBondContact O-CB 3.33Å; E669-N672 PolarHBondContact O-N 2.94Å; R670-N672 VanDerWaalsContact C-N 3.27Å; R670-N672 PolarHBondContact O-N 2.96Å; N672-L674 PolarHBondContact O-N 3.4Å; N672-E675 PolarHBondContact O-N 3.42Å; N672-N677 WeakPolarHBondContact OD1-CB 3.3Å; N672-N677 PolarHBondContact OD1-ND2 2.95Å; N672-N680 VanDerWaalsContact CG-ND2 3.27Å; N672-N680 PolarHBondContact OD1-ND2 3.46Å
673D86.7Confident83.9Confident90 Ų9050.9 Ų50.948%0.48125%0.245SC..Hα-helixtrans-56.8-35.3176.6-75.9-7.1000113E669 R670 E675E669-D673 PolarHBondContact O-N 2.87Å; R670-D673 IonicContact CZ-OD2 2.62Å; R670-D673 IonicContact NH1-OD2 2.78Å; R670-D673 PolarHBondContact NH1-OD2 3.31Å; R670-D673 PolarHBondContact O-N 2.89Å; D673-E675 VanDerWaalsContact C-N 3.3Å
674L83.2Confident84.5Confident49 Ų4955.6 Ų55.626%0.25727%0.265SS..THydrogen-bonded Turntrans-86.40.5-178.4-64.9168.5000113H342 R670 N672 M676H342-L674 HydrophobicContact CB-CD1 3.45Å; H342-L674 VanDerWaalsContact CB-CD1 3.45Å; H342-L674 HydrophobicContact CB-CD2 3.96Å; H342-L674 HydrophobicContact CB-CG 4.36Å; R670-L674 HydrophobicContact CG-CD1 4.41Å; R670-L674 WeakPolarHBondContact O-CD1 3.44Å; R670-L674 VanDerWaalsContact O-CG 3.25Å; R670-L674 WeakPolarHBondContact O-CG 3.26Å; R670-L674 PolarHBondContact O-N 3.1Å; N672-L674 PolarHBondContact O-N 3.4Å; L674-M676 HydrophobicContact CB-CB 4.18Å; L674-M676 HydrophobicContact CB-CG 4.2Å; L674-M676 HydrophobicContact CB-SD 4.32Å; L674-M676 WeakPolarHBondContact O-CG 3.45Å; L674-M676 PolarHBondContact O-N 3.1Å; L674-M676 VanDerWaalsContact O-N 3.15Å
675E85.2Confident84.8Confident110 Ų11057.4 Ų57.451%0.51427%0.271SS..THydrogen-bonded Turntrans51.334.1-171.4-55.1-166.3134.600112.6L671 N672 D673 E681 K684 Q713L671-E675 PolarHBondContact O-N 3.07Å; N672-E675 PolarHBondContact O-N 3.42Å; D673-E675 VanDerWaalsContact C-N 3.3Å; E675-E681 WeakPolarHBondContact O-CG 3.41Å; E675-K684 IonicContact OE1-NZ 2.76Å; E675-Q713 PolarHBondContact O-NE2 3.21Å
676M84.5Confident84.8Confident51 Ų5155.6 Ų55.625%0.25127%0.274SS..  trans-114.5-3.9-178.3-77.1-177.1175.300112.4V339 L671 L674 A678 V715 F716V339-M676 HydrophobicContact CG2-SD 3.58Å; V339-M676 VanDerWaalsContact CG2-SD 3.58Å; L671-M676 HydrophobicContact CD2-CB 4.26Å; L671-M676 PolarHBondContact O-N 3.43Å; L674-M676 HydrophobicContact CB-CB 4.18Å; L674-M676 HydrophobicContact CB-CG 4.2Å; L674-M676 HydrophobicContact CB-SD 4.32Å; L674-M676 WeakPolarHBondContact O-CG 3.45Å; L674-M676 PolarHBondContact O-N 3.1Å; L674-M676 VanDerWaalsContact O-N 3.15Å; M676-A678 PolarHBondContact O-N 3.28Å; M676-V715 CarbonylContact O-C 3.6Å; M676-V715 WeakPolarHBondContact O-CA 3.2Å; M676-F716 HydrophobicContact CB-CD2 4.29Å; M676-F716 PolarHBondContact O-N 2.67Å; M676-F716 HydrophobicContact SD-CE2 4.37Å
677N86Confident84.6Confident8 Ų852.7 Ų52.74%0.04326%0.262CS..BIsolated β-bridgetrans-68.7113.3173.3-169.5-28.3000110.1L671 N672 E679 N680 E681L671-N677 HydrophobicContact CB-CB 3.79Å; L671-N677 PolarHBondContact O-N 3.38Å; N672-N677 WeakPolarHBondContact OD1-CB 3.3Å; N672-N677 PolarHBondContact OD1-ND2 2.95Å; N677-E679 PolarHBondContact O-N 3.01Å; N677-E679 WeakPolarHBondContact OD1-CB 3.34Å; N677-E679 PolarHBondContact OD1-N 2.97Å; N677-N680 HydrophobicContact CB-CB 4.5Å; N677-N680 PolarHBondContact O-N 3.42Å; N677-E681 WeakPolarHBondContact O-CB 3.37Å; N677-E681 WeakPolarHBondContact O-CG 3.23Å; N677-E681 PolarHBondContact O-N 3.14Å
678A84.2Confident84.5Confident0 Ų057.5 Ų57.50%029%0.285CS..Hα-helixtrans-59.1-34.2-179.100000113.1I371 M676 L682 V715 F716 Y717I371-A678 HydrophobicContact CD1-CB 4.39Å; M676-A678 PolarHBondContact O-N 3.28Å; A678-L682 HydrophobicContact CB-CD1 4.42Å; A678-L682 WeakPolarHBondContact O-CB 3.45Å; A678-L682 WeakPolarHBondContact O-CD1 3.41Å; A678-L682 WeakPolarHBondContact O-CG 3.47Å; A678-L682 PolarHBondContact O-N 3.05Å; A678-V715 HydrophobicContact CB-CB 3.93Å; A678-V715 HydrophobicContact CB-CG2 3.63Å; A678-F716 WeakPolarHBondContact CB-O 3.49Å; A678-F716 PolarHBondContact N-O 3.38Å; A678-Y717 HydrophobicContact CB-CD1 3.96Å; A678-Y717 HydrophobicContact CB-CD2 3.42Å; A678-Y717 VanDerWaalsContact CB-CD2 3.42Å; A678-Y717 HydrophobicContact CB-CE1 3.96Å; A678-Y717 HydrophobicContact CB-CE2 3.42Å; A678-Y717 VanDerWaalsContact CB-CE2 3.42Å; A678-Y717 HydrophobicContact CB-CG 3.71Å
679E83.4Confident84Confident123 Ų12358.1 Ų58.158%0.57529%0.288SS*.Hα-helixtrans-62.4-50.3-179.6-163.2169.9175.500111.6N677 K683 Y717N677-E679 PolarHBondContact O-N 3.01Å; N677-E679 WeakPolarHBondContact OD1-CB 3.34Å; N677-E679 PolarHBondContact OD1-N 2.97Å; E679-K683 WeakPolarHBondContact O-CB 3.42Å; E679-K683 PolarHBondContact O-N 3.23Å; E679-Y717 HydrophobicContact CB-CD1 4.48Å; E679-Y717 HydrophobicContact CB-CE1 3.7Å; E679-Y717 HydrophobicContact CG-CE1 4.31Å
680N85.3Confident83.5Confident64 Ų6453 Ų5334%0.34226%0.264SS..Hα-helixtrans-72.2-41.2-179-77-20.1000111.9N672 N677 K683 K684N672-N680 VanDerWaalsContact CG-ND2 3.27Å; N672-N680 PolarHBondContact OD1-ND2 3.46Å; N677-N680 HydrophobicContact CB-CB 4.5Å; N677-N680 PolarHBondContact O-N 3.42Å; N680-K683 PolarHBondContact O-N 3.34Å; N680-K684 WeakPolarHBondContact O-CG 3.26Å; N680-K684 PolarHBondContact O-N 2.95Å
681E84.3Confident82.8Confident8 Ų858 Ų584%0.03728%0.283CS..Hα-helixtrans-68.9-36.9-179.6-75.3-58.4120.900112.8E675 N677 K684 R685 V715E675-E681 WeakPolarHBondContact O-CG 3.41Å; N677-E681 WeakPolarHBondContact O-CB 3.37Å; N677-E681 WeakPolarHBondContact O-CG 3.23Å; N677-E681 PolarHBondContact O-N 3.14Å; E681-K684 WeakPolarHBondContact OE1-CD 3.41Å; E681-K684 WeakPolarHBondContact OE1-CE 3.45Å; E681-K684 IonicContact OE1-NZ 3.39Å; E681-K684 PolarHBondContact OE1-NZ 3.18Å; E681-R685 WeakPolarHBondContact O-CG 3.48Å; E681-R685 PolarHBondContact O-N 3.36Å; E681-R685 PolarHBondContact O-NH1 3.43Å; E681-R685 IonicContact OE2-CZ 3.51Å; E681-R685 IonicContact OE2-NH1 2.73Å; E681-R685 PolarHBondContact OE2-NH1 2.88Å; E681-R685 IonicContact OE2-NH2 3.12Å; E681-R685 PolarHBondContact OE2-NH2 2.64Å; E681-V715 HydrophobicContact CB-CB 4.49Å; E681-V715 HydrophobicContact CB-CG1 3.81Å; E681-V715 HydrophobicContact CG-CG1 3.89Å
682L84.6Confident81.9Confident0 Ų064.5 Ų64.50%031%0.311CS..Hα-helixtrans-71-37.7172.3-69.5169.4000110.7I371 L373 F378 A678 R685 G686 L687 E688 F690 Y717I371-L682 HydrophobicContact CD1-CD1 3.97Å; L373-L682 HydrophobicContact CD2-CD2 3.92Å; F378-L682 HydrophobicContact CZ-CD2 4.08Å; A678-L682 HydrophobicContact CB-CD1 4.42Å; A678-L682 WeakPolarHBondContact O-CB 3.45Å; A678-L682 WeakPolarHBondContact O-CD1 3.41Å; A678-L682 WeakPolarHBondContact O-CG 3.47Å; A678-L682 PolarHBondContact O-N 3.05Å; L682-R685 CarbonylContact O-C 3.42Å; L682-R685 PolarHBondContact O-N 2.71Å; L682-G686 PolarHBondContact O-N 2.88Å; L682-L687 HydrophobicContact CB-CB 4.05Å; L682-L687 HydrophobicContact CD2-CB 3.77Å; L682-L687 HydrophobicContact CD2-CD1 4.09Å; L682-L687 CarbonylContact O-C 3.54Å; L682-L687 WeakPolarHBondContact O-CA 3.2Å; L682-L687 PolarHBondContact O-N 3.44Å; L682-E688 PolarHBondContact O-N 3.17Å; L682-F690 HydrophobicContact CD1-CB 4.33Å; L682-F690 HydrophobicContact CD1-CD1 4.24Å; L682-Y717 HydrophobicContact CD1-CE2 3.85Å; L682-Y717 WeakPolarHBondContact CD1-OH 3.13Å
683K85.2Confident80.4Confident128 Ų12865.8 Ų65.856%0.55733%0.325SS*.Hα-helixtrans-62.3-45174.8-174.2175.3-176.6-178.30112.8E679 N680 R685 G686 E688E679-K683 WeakPolarHBondContact O-CB 3.42Å; E679-K683 PolarHBondContact O-N 3.23Å; N680-K683 PolarHBondContact O-N 3.34Å; K683-R685 PolarHBondContact O-N 3.48Å; K683-G686 PolarHBondContact O-N 3.43Å; K683-E688 HydrophobicContact CB-CB 4.1Å; K683-E688 HydrophobicContact CG-CB 4.23Å
684K85Confident79Confident134 Ų13462.5 Ų62.558%0.58331%0.312SS*.Hα-helixtrans-55.6-32.3173.8-75.5177-174.7172.30112.4E675 N680 E681E675-K684 IonicContact OE1-NZ 2.76Å; N680-K684 WeakPolarHBondContact O-CG 3.26Å; N680-K684 PolarHBondContact O-N 2.95Å; E681-K684 WeakPolarHBondContact OE1-CD 3.41Å; E681-K684 WeakPolarHBondContact OE1-CE 3.45Å; E681-K684 IonicContact OE1-NZ 3.39Å; E681-K684 PolarHBondContact OE1-NZ 3.18Å
685R83.2Confident78.2Confident52 Ų5262 Ų6220%0.19631%0.308CS..THydrogen-bonded Turntrans-94.58.2-179.3-67.2-179.3-17577.3-1.1114.2L373 E681 L682 K683 L687 A705L373-R685 VanDerWaalsContact CD1-CZ 3.48Å; E681-R685 WeakPolarHBondContact O-CG 3.48Å; E681-R685 PolarHBondContact O-N 3.36Å; E681-R685 PolarHBondContact O-NH1 3.43Å; E681-R685 IonicContact OE2-CZ 3.51Å; E681-R685 IonicContact OE2-NH1 2.73Å; E681-R685 PolarHBondContact OE2-NH1 2.88Å; E681-R685 IonicContact OE2-NH2 3.12Å; E681-R685 PolarHBondContact OE2-NH2 2.64Å; L682-R685 CarbonylContact O-C 3.42Å; L682-R685 PolarHBondContact O-N 2.71Å; K683-R685 PolarHBondContact O-N 3.48Å; R685-L687 HydrophobicContact CB-CD1 4.35Å; R685-L687 PolarHBondContact O-N 3.22Å; R685-A705 HydrophobicContact CB-CB 4.07Å; R685-A705 WeakPolarHBondContact O-CB 3.26Å
686G80.4Confident77.1Confident49 Ų4958.8 Ų58.851%0.50529%0.294SS..THydrogen-bonded Turntrans7113.9-17800000114.9L682 K683L682-G686 PolarHBondContact O-N 2.88Å; K683-G686 PolarHBondContact O-N 3.43Å
687L80.8Confident76.4Confident0 Ų056.8 Ų56.80%028%0.284CS..  trans-103.717.5-178.7-75.5165.4000113F378 L682 R685 N689 F690 F695 I697 L701 A705 I707F378-L687 HydrophobicContact CZ-CD1 4.33Å; L682-L687 HydrophobicContact CB-CB 4.05Å; L682-L687 HydrophobicContact CD2-CB 3.77Å; L682-L687 HydrophobicContact CD2-CD1 4.09Å; L682-L687 CarbonylContact O-C 3.54Å; L682-L687 WeakPolarHBondContact O-CA 3.2Å; L682-L687 PolarHBondContact O-N 3.44Å; R685-L687 HydrophobicContact CB-CD1 4.35Å; R685-L687 PolarHBondContact O-N 3.22Å; L687-N689 PolarHBondContact O-N 3.1Å; L687-F690 VanDerWaalsContact O-CB 3.27Å; L687-F690 WeakPolarHBondContact O-CB 3.18Å; L687-F690 PolarHBondContact O-N 3.33Å; L687-F695 HydrophobicContact CD2-CE1 3.8Å; L687-F695 HydrophobicContact CD2-CZ 3.96Å; L687-I697 HydrophobicContact CD2-CG1 4.47Å; L687-L701 HydrophobicContact CD2-CD2 3.13Å; L687-L701 HydrophobicContact CG-CD2 3.74Å; L687-A705 HydrophobicContact CD1-CB 4Å; L687-A705 HydrophobicContact CG-CB 4.45Å; L687-I707 HydrophobicContact CD1-CD1 3.41Å; L687-I707 VanDerWaalsContact CD1-CD1 3.41Å
688E79.7Confident75.6Confident102 Ų10257.9 Ų57.948%0.47729%0.293SS..THydrogen-bonded Turntrans-50.5-31-176.455177.1-152.600114.3L682 K683 F690L682-E688 PolarHBondContact O-N 3.17Å; K683-E688 HydrophobicContact CB-CB 4.1Å; K683-E688 HydrophobicContact CG-CB 4.23Å; E688-F690 VanDerWaalsContact C-N 3.34Å
689N75.4Confident75.1Confident43 Ų4362 Ų6223%0.2331%0.311CS..THydrogen-bonded Turntrans-90.45.7-176.1-67.1-49.3000112.9L687 R691 K692 F695L687-N689 PolarHBondContact O-N 3.1Å; N689-R691 PolarHBondContact O-N 3.32Å; N689-R691 VanDerWaalsContact O-N 3.07Å; N689-K692 HydrophobicContact CB-CD 4.36Å; N689-K692 WeakPolarHBondContact O-CB 3.31Å; N689-K692 PolarHBondContact O-N 3.17Å; N689-K692 VanDerWaalsContact OD1-CD 3.25Å; N689-K692 WeakPolarHBondContact OD1-CD 3.48Å; N689-K692 VanDerWaalsContact OD1-CE 3.22Å; N689-K692 WeakPolarHBondContact OD1-CE 3.35Å; N689-K692 PolarHBondContact OD1-NZ 3.04Å; N689-F695 VanDerWaalsContact C-CG 3.48Å; N689-F695 HydrophobicContact CB-CB 4.13Å; N689-F695 HydrophobicContact CB-CD2 3.31Å; N689-F695 HydrophobicContact CB-CE2 3.8Å; N689-F695 HydrophobicContact CB-CG 3.82Å; N689-F695 WeakPolarHBondContact O-CB 3.46Å; N689-F695 VanDerWaalsContact O-CG 3.28Å; N689-F695 WeakPolarHBondContact O-CG 3.35Å
690F76.2Confident74.6Confident14 Ų1463.3 Ų63.36%0.06132%0.315CS..THydrogen-bonded Turntrans-49.7-39.2-175.9175-111000114.7I371 Y377 F378 Y381 K457 L682 L687 E688 F695 I697I371-F690 HydrophobicContact CD1-CD1 4Å; I371-F690 HydrophobicContact CD1-CE1 3.87Å; Y377-F690 HydrophobicContact CE1-CZ 4.43Å; F378-F690 HydrophobicContact CD1-CD2 4.44Å; F378-F690 AromaticContact CD1-CE2 3.99Å; F378-F690 HydrophobicContact CD1-CE2 3.99Å; F378-F690 HydrophobicContact CD1-CZ 4.34Å; F378-F690 HydrophobicContact CE1-CD2 4.06Å; F378-F690 HydrophobicContact CE1-CE1 4.4Å; F378-F690 AromaticContact CE1-CE2 3.87Å; F378-F690 HydrophobicContact CE1-CE2 3.87Å; F378-F690 HydrophobicContact CE1-CG 4.43Å; F378-F690 HydrophobicContact CE1-CZ 4.04Å; Y381-F690 HydrophobicContact CD2-CZ 4.25Å; Y381-F690 HydrophobicContact CE2-CZ 4.3Å; Y381-F690 HydrophobicContact CG-CE2 4.49Å; Y381-F690 HydrophobicContact CG-CZ 4.47Å; K457-F690 PolarHBondContact NZ-O 3.09Å; K457-F690 VanDerWaalsContact NZ-O 3.12Å; L682-F690 HydrophobicContact CD1-CB 4.33Å; L682-F690 HydrophobicContact CD1-CD1 4.24Å; L687-F690 VanDerWaalsContact O-CB 3.27Å; L687-F690 WeakPolarHBondContact O-CB 3.18Å; L687-F690 PolarHBondContact O-N 3.33Å; E688-F690 VanDerWaalsContact C-N 3.34Å; F690-F695 VanDerWaalsContact CA-CD1 3.43Å; F690-F695 HydrophobicContact CB-CD1 4.3Å; F690-F695 HydrophobicContact CB-CE1 4.35Å; F690-I697 HydrophobicContact CD2-CD1 3.45Å; F690-I697 VanDerWaalsContact CD2-CD1 3.45Å; F690-I697 HydrophobicContact CD2-CG1 4.01Å; F690-I697 HydrophobicContact CE2-CD1 3.26Å; F690-I697 HydrophobicContact CE2-CG1 4.28Å; F690-I697 HydrophobicContact CZ-CD1 4.48Å
691R71.7Confident74.2Confident127 Ų12762.1 Ų62.148%0.47931%0.308SS..THydrogen-bonded Turntrans-80.8-19.4178.4-166.3174.8179.1-155.3-6.9113.5N689 S693 D721N689-R691 PolarHBondContact O-N 3.32Å; N689-R691 VanDerWaalsContact O-N 3.07Å; R691-S693 PolarHBondContact O-N 2.89Å; R691-D721 IonicContact NH2-OD2 2.77Å; R691-D721 PolarHBondContact NH2-OD2 3.11Å
692K66.8Low73.9Confident137 Ų13761.8 Ų61.860%0.59631%0.306SS*.SBendtrans-69.9134.1179.2-67.6-171.4-173.7158.70110.1N689 G694 F695N689-K692 HydrophobicContact CB-CD 4.36Å; N689-K692 WeakPolarHBondContact O-CB 3.31Å; N689-K692 PolarHBondContact O-N 3.17Å; N689-K692 VanDerWaalsContact OD1-CD 3.25Å; N689-K692 WeakPolarHBondContact OD1-CD 3.48Å; N689-K692 VanDerWaalsContact OD1-CE 3.22Å; N689-K692 WeakPolarHBondContact OD1-CE 3.35Å; N689-K692 PolarHBondContact OD1-NZ 3.04Å; K692-G694 PolarHBondContact O-N 3.48Å; K692-F695 PolarHBondContact O-N 3.24Å; K692-F695 VanDerWaalsContact O-N 3.09Å
693S55.5Low73.6Confident92 Ų9266 Ų6664%0.64333%0.329SS*.THydrogen-bonded Turntrans-57.8125.9173.449.40000109.8R691R691-S693 PolarHBondContact O-N 2.89Å
694G57.8Low73.4Confident21 Ų2167.6 Ų67.622%0.21634%0.338CS..THydrogen-bonded Turntrans94.6-4-176.800000115.9K692 I696K692-G694 PolarHBondContact O-N 3.48Å; G694-I696 PolarHBondContact O-N 2.95Å
695F66.6Low73.1Confident38 Ų3861.8 Ų61.817%0.16732%0.315CS..  trans-76.2125173.4-177-95.6000112.3K457 L687 N689 F690 K692 I697 L701K457-F695 PolarHBondContact NZ-O 3.24Å; K457-F695 VanDerWaalsContact NZ-O 3.14Å; L687-F695 HydrophobicContact CD2-CE1 3.8Å; L687-F695 HydrophobicContact CD2-CZ 3.96Å; N689-F695 VanDerWaalsContact C-CG 3.48Å; N689-F695 HydrophobicContact CB-CB 4.13Å; N689-F695 HydrophobicContact CB-CD2 3.31Å; N689-F695 HydrophobicContact CB-CE2 3.8Å; N689-F695 HydrophobicContact CB-CG 3.82Å; N689-F695 WeakPolarHBondContact O-CB 3.46Å; N689-F695 VanDerWaalsContact O-CG 3.28Å; N689-F695 WeakPolarHBondContact O-CG 3.35Å; F690-F695 VanDerWaalsContact CA-CD1 3.43Å; F690-F695 HydrophobicContact CB-CD1 4.3Å; F690-F695 HydrophobicContact CB-CE1 4.35Å; K692-F695 PolarHBondContact O-N 3.24Å; K692-F695 VanDerWaalsContact O-N 3.09Å; F695-I697 HydrophobicContact CD1-CG1 4.36Å; F695-I697 HydrophobicContact CE1-CG1 4.02Å; F695-L701 HydrophobicContact CZ-CD1 4.13Å; F695-L701 HydrophobicContact CZ-CD2 4.23Å
696I63.4Low72.8Confident44 Ų4461.5 Ų61.523%0.22633%0.329CS..  trans-106.6127.1-173.9-57.8147.3000108.6Y389 V398 G694Y389-I696 HydrophobicContact CD1-CG2 3.86Å; Y389-I696 HydrophobicContact CE1-CB 4.08Å; Y389-I696 HydrophobicContact CE1-CD1 3.45Å; Y389-I696 VanDerWaalsContact CE1-CD1 3.45Å; Y389-I696 HydrophobicContact CE1-CG1 3.46Å; Y389-I696 VanDerWaalsContact CE1-CG1 3.46Å; Y389-I696 HydrophobicContact CE1-CG2 3.44Å; Y389-I696 VanDerWaalsContact CE1-CG2 3.44Å; Y389-I696 WeakPolarHBondContact OH-CD1 3.34Å; Y389-I696 VanDerWaalsContact OH-CG1 3.27Å; Y389-I696 WeakPolarHBondContact OH-CG1 3.26Å; V398-I696 HydrophobicContact CG1-CD1 3.96Å; G694-I696 PolarHBondContact O-N 2.95Å
697I69.8Low72.7Confident8 Ų859.3 Ų59.34%0.04131%0.305CS..  trans-84.8118.9169.8-63.4161.6000107.9F378 I382 L687 F690 F695 L702F378-I697 HydrophobicContact CB-CD1 4.27Å; F378-I697 HydrophobicContact CB-CG2 4.45Å; F378-I697 HydrophobicContact CD1-CD1 3.42Å; F378-I697 VanDerWaalsContact CD1-CD1 3.42Å; F378-I697 HydrophobicContact CE1-CD1 4.14Å; F378-I697 HydrophobicContact CG-CD1 4.23Å; I382-I697 HydrophobicContact CG1-CG2 4.48Å; L687-I697 HydrophobicContact CD2-CG1 4.47Å; F690-I697 HydrophobicContact CD2-CD1 3.45Å; F690-I697 VanDerWaalsContact CD2-CD1 3.45Å; F690-I697 HydrophobicContact CD2-CG1 4.01Å; F690-I697 HydrophobicContact CE2-CD1 3.26Å; F690-I697 HydrophobicContact CE2-CG1 4.28Å; F690-I697 HydrophobicContact CZ-CD1 4.48Å; F695-I697 HydrophobicContact CD1-CG1 4.36Å; F695-I697 HydrophobicContact CE1-CG1 4.02Å; I697-L702 HydrophobicContact CG2-CD1 3.51Å; I697-L702 HydrophobicContact CG2-CD2 3.69Å; I697-L702 HydrophobicContact CG2-CG 3.42Å; I697-L702 VanDerWaalsContact CG2-CG 3.42Å
698S68.4Low72.3Confident31 Ų3162.4 Ų62.422%0.21732%0.324CS..  trans-97.6153.9169.677.60000110.6K700 L701 L702S698-K700 PolarHBondContact O-N 3.22Å; S698-L701 PolarHBondContact O-N 3.05Å; S698-L701 WeakPolarHBondContact OG-CB 3.32Å; S698-L701 PolarHBondContact OG-N 3.33Å; S698-L702 PolarHBondContact O-N 3.33Å
699K72.6Confident71.8Confident87 Ų8764.2 Ų64.238%0.37833%0.333SS..Hα-helixtrans-58.6-39.9173.5-70.6-177.4-178.4-175.70111I382 Y386 L702 D703I382-K699 HydrophobicContact CD1-CG 4.12Å; Y386-K699 HydrophobicContact CD1-CD 4.2Å; Y386-K699 HydrophobicContact CE1-CB 4.36Å; Y386-K699 HydrophobicContact CE1-CD 3.69Å; Y386-K699 HydrophobicContact CE1-CG 3.85Å; Y386-K699 HydrophobicContact CE2-CG 4.08Å; Y386-K699 WeakPolarHBondContact OH-CB 3.34Å; Y386-K699 PolarHBondContact OH-N 3.42Å; K699-L702 WeakPolarHBondContact O-CB 3.3Å; K699-L702 PolarHBondContact O-N 2.83Å; K699-D703 PolarHBondContact O-N 2.95Å
700K73.9Confident71.4Confident151 Ų15170.4 Ų70.466%0.65736%0.36SS*.Hα-helixtrans-61.2-43.2176-69.1-173.4175.8-173.40112.3S698 L702 D703 E704S698-K700 PolarHBondContact O-N 3.22Å; K700-L702 VanDerWaalsContact C-N 3.32Å; K700-L702 PolarHBondContact O-N 3Å; K700-D703 CarbonylContact O-C 3.55Å; K700-D703 WeakPolarHBondContact O-CA 3.18Å; K700-D703 WeakPolarHBondContact O-CB 3.27Å; K700-D703 PolarHBondContact O-N 3.45Å; K700-D703 VanDerWaalsContact O-N 3.12Å; K700-E704 WeakPolarHBondContact O-CG 3.39Å; K700-E704 PolarHBondContact O-N 3.34Å
701L77.5Confident71.1Confident39 Ų3972.4 Ų72.420%0.20437%0.371CS..Hα-helixtrans-68.1-34.7179.1-166.5151.3000111.1L687 F695 S698 D703 A705L687-L701 HydrophobicContact CD2-CD2 3.13Å; L687-L701 HydrophobicContact CG-CD2 3.74Å; F695-L701 HydrophobicContact CZ-CD1 4.13Å; F695-L701 HydrophobicContact CZ-CD2 4.23Å; S698-L701 PolarHBondContact O-N 3.05Å; S698-L701 WeakPolarHBondContact OG-CB 3.32Å; S698-L701 PolarHBondContact OG-N 3.33Å; L701-D703 VanDerWaalsContact C-N 3.35Å; L701-A705 WeakPolarHBondContact O-CB 3.38Å; L701-A705 PolarHBondContact O-N 3.04Å
702L77.9Confident71.1Confident0 Ų071.3 Ų71.30%038%0.379CS..Hα-helixtrans-65.9-37.3169.8-69.5169.1000112.4R375 F378 I382 I697 S698 K699 K700 A705 G706 I707R375-L702 HydrophobicContact CG-CD1 4.49Å; F378-L702 HydrophobicContact CB-CD1 4.02Å; F378-L702 HydrophobicContact CB-CD2 3.74Å; F378-L702 HydrophobicContact CD2-CD2 3.73Å; F378-L702 HydrophobicContact CE2-CD2 4.49Å; F378-L702 HydrophobicContact CG-CD2 3.79Å; I382-L702 HydrophobicContact CD1-CD1 3.98Å; I697-L702 HydrophobicContact CG2-CD1 3.51Å; I697-L702 HydrophobicContact CG2-CD2 3.69Å; I697-L702 HydrophobicContact CG2-CG 3.42Å; I697-L702 VanDerWaalsContact CG2-CG 3.42Å; S698-L702 PolarHBondContact O-N 3.33Å; K699-L702 WeakPolarHBondContact O-CB 3.3Å; K699-L702 PolarHBondContact O-N 2.83Å; K700-L702 VanDerWaalsContact C-N 3.32Å; K700-L702 PolarHBondContact O-N 3Å; L702-A705 PolarHBondContact O-N 3.48Å; L702-G706 PolarHBondContact O-N 3.48Å; L702-I707 HydrophobicContact CD2-CB 4.45Å; L702-I707 HydrophobicContact CD2-CD1 3.81Å; L702-I707 PolarHBondContact O-N 3.09Å; L702-I707 VanDerWaalsContact O-N 3.13Å
703D78.1Confident71.8Confident88 Ų8868.5 Ų68.547%0.47137%0.368SS..Hα-helixtrans-66.9-43.2175.9-61.7-37.5000110.8R375 K699 K700 L701 G706R375-D703 IonicContact CZ-OD1 3.48Å; R375-D703 IonicContact NH1-OD1 2.77Å; R375-D703 PolarHBondContact NH1-OD1 3.49Å; R375-D703 IonicContact NH2-OD1 2.71Å; R375-D703 PolarHBondContact NH2-OD1 2.89Å; R375-D703 IonicContact NH2-OD2 3.96Å; K699-D703 PolarHBondContact O-N 2.95Å; K700-D703 CarbonylContact O-C 3.55Å; K700-D703 WeakPolarHBondContact O-CA 3.18Å; K700-D703 WeakPolarHBondContact O-CB 3.27Å; K700-D703 PolarHBondContact O-N 3.45Å; K700-D703 VanDerWaalsContact O-N 3.12Å; L701-D703 VanDerWaalsContact C-N 3.35Å; D703-G706 PolarHBondContact O-N 3.12Å
704E80.7Confident73.2Confident163 Ų16366.4 Ų66.476%0.76235%0.348SS*.Hα-helixtrans-66.4-35.4174.5-73.2169.8-167.500112.6K700 G706K700-E704 WeakPolarHBondContact O-CG 3.39Å; K700-E704 PolarHBondContact O-N 3.34Å; E704-G706 PolarHBondContact O-N 3.21Å
705A79.2Confident74.5Confident12 Ų1265.4 Ų65.410%0.09934%0.337CS..THydrogen-bonded Turntrans-70.1-7174.900000113.5R685 L687 L701 L702 I707R685-A705 HydrophobicContact CB-CB 4.07Å; R685-A705 WeakPolarHBondContact O-CB 3.26Å; L687-A705 HydrophobicContact CD1-CB 4Å; L687-A705 HydrophobicContact CG-CB 4.45Å; L701-A705 WeakPolarHBondContact O-CB 3.38Å; L701-A705 PolarHBondContact O-N 3.04Å; L702-A705 PolarHBondContact O-N 3.48Å; A705-I707 VanDerWaalsContact C-N 3.28Å; A705-I707 HydrophobicContact CB-CD1 3.81Å; A705-I707 HydrophobicContact CB-CG1 4.09Å; A705-I707 PolarHBondContact O-N 3.26Å
706G76.6Confident75.4Confident46 Ų4663.7 Ų63.747%0.47433%0.33SS..THydrogen-bonded Turntrans68.123.8-178.700000114L702 D703 E704 T708 N711L702-G706 PolarHBondContact O-N 3.48Å; D703-G706 PolarHBondContact O-N 3.12Å; E704-G706 PolarHBondContact O-N 3.21Å; G706-T708 PolarHBondContact O-N 3.39Å; G706-N711 PolarHBondContact O-ND2 3.35Å
707I76.9Confident76.3Confident3 Ų362.4 Ų62.42%0.01532%0.322CS..  trans-85.6104.7-177.7-66.4162.9000109.8L373 R375 F378 L687 L702 A705L373-I707 WeakPolarHBondContact O-CG2 3.43Å; R375-I707 HydrophobicContact CB-CG2 4.38Å; F378-I707 HydrophobicContact CD2-CD1 4Å; F378-I707 HydrophobicContact CD2-CG2 4.28Å; F378-I707 HydrophobicContact CE2-CD1 3.63Å; F378-I707 HydrophobicContact CZ-CD1 4.46Å; L687-I707 HydrophobicContact CD1-CD1 3.41Å; L687-I707 VanDerWaalsContact CD1-CD1 3.41Å; L702-I707 HydrophobicContact CD2-CB 4.45Å; L702-I707 HydrophobicContact CD2-CD1 3.81Å; L702-I707 PolarHBondContact O-N 3.09Å; L702-I707 VanDerWaalsContact O-N 3.13Å; A705-I707 VanDerWaalsContact C-N 3.28Å; A705-I707 HydrophobicContact CB-CD1 3.81Å; A705-I707 HydrophobicContact CB-CG1 4.09Å; A705-I707 PolarHBondContact O-N 3.26Å
708T73.8Confident76.8Confident65 Ų6562.8 Ų62.840%0.39932%0.324SS..  trans-90.2166.6176.266.20000111.4G706 Q710 N711G706-T708 PolarHBondContact O-N 3.39Å; T708-Q710 PolarHBondContact O-N 3.4Å; T708-Q710 PolarHBondContact OG1-N 3.5Å; T708-N711 PolarHBondContact N-ND2 3.04Å; T708-N711 PolarHBondContact O-N 3.24Å; T708-N711 PolarHBondContact OG1-N 2.96Å; T708-N711 PolarHBondContact OG1-OD1 3.03Å
709E69.3Low77Confident139 Ų13965.8 Ų65.865%0.6533%0.333SS*.THydrogen-bonded Turntrans-66.6-21.6171.6-70.6-17717500112.8R375R375-E709 HydrophobicContact CB-CG 4.01Å
710Q67.5Low76.5Confident173 Ų17363.9 Ų63.981%0.80833%0.329SS*.THydrogen-bonded Turntrans-83.6-17.5179.7-65.9179.4-11.100112.9T708 T712T708-Q710 PolarHBondContact O-N 3.4Å; T708-Q710 PolarHBondContact OG1-N 3.5Å; Q710-T712 PolarHBondContact O-N 3.38Å; Q710-T712 VanDerWaalsContact O-N 3.11Å
711N68.1Low75.6Confident56 Ų5661.1 Ų61.130%0.29932%0.321SS..  trans-67.9112.3176.7-76.3-6.6000109.6L373 S374 G706 T708L373-N711 WeakPolarHBondContact O-CB 3.37Å; S374-N711 WeakPolarHBondContact CA-O 3.44Å; S374-N711 WeakPolarHBondContact CB-O 3Å; G706-N711 PolarHBondContact O-ND2 3.35Å; T708-N711 PolarHBondContact N-ND2 3.04Å; T708-N711 PolarHBondContact O-N 3.24Å; T708-N711 PolarHBondContact OG1-N 2.96Å; T708-N711 PolarHBondContact OG1-OD1 3.03Å
712T73.1Confident74.5Confident104 Ų10464.2 Ų64.264%0.63834%0.338SS*.  trans-111.68.7178.150.60000112.2Q710 K714Q710-T712 PolarHBondContact O-N 3.38Å; Q710-T712 VanDerWaalsContact O-N 3.11Å; T712-K714 PolarHBondContact O-N 3.27Å
713Q81.8Confident73.2Confident78 Ų7865 Ų6536%0.36434%0.344SS..  trans-62.5129.1178.3-173.5-179.84.400109.7L373 E675L373-Q713 VanDerWaalsContact CB-O 3.28Å; L373-Q713 WeakPolarHBondContact CB-O 3.25Å; L373-Q713 HydrophobicContact CD1-CB 4.3Å; L373-Q713 HydrophobicContact CD1-CG 4.26Å; L373-Q713 PolarHBondContact N-O 3.02Å; E675-Q713 PolarHBondContact O-NE2 3.21Å
714K83.4Confident72.3Confident49 Ų4962.4 Ų62.421%0.21333%0.333CS..EExtended strand (participates in β ladder)trans-105.1138.8173.7-64.1-176.2-171.8164.30110D335 I371 E372 T712 F716D335-K714 HydrophobicContact CB-CD 4.07Å; D335-K714 VanDerWaalsContact OD2-CD 3.31Å; D335-K714 WeakPolarHBondContact OD2-CD 3.29Å; D335-K714 VanDerWaalsContact OD2-CE 3.31Å; D335-K714 WeakPolarHBondContact OD2-CE 3.4Å; D335-K714 IonicContact OD2-NZ 3.54Å; D335-K714 PolarHBondContact OD2-NZ 3.36Å; I371-K714 CarbonylContact O-C 3.56Å; I371-K714 WeakPolarHBondContact O-CA 3.49Å; E372-K714 HydrophobicContact CB-CG 4.29Å; E372-K714 HydrophobicContact CG-CG 4.17Å; T712-K714 PolarHBondContact O-N 3.27Å; K714-F716 HydrophobicContact CB-CE2 4.28Å; K714-F716 HydrophobicContact CB-CZ 4.25Å
715V86.2Confident71.3Confident0 Ų055.9 Ų55.90%030%0.303CS..EExtended strand (participates in β ladder)trans-122.4153.7176-62.40000109.2I371 L373 M676 A678 E681I371-V715 HydrophobicContact CB-CG2 3.95Å; I371-V715 HydrophobicContact CG2-CG2 4.25Å; I371-V715 PolarHBondContact N-O 2.86Å; I371-V715 PolarHBondContact O-N 2.98Å; L373-V715 HydrophobicContact CD1-CG1 3.6Å; L373-V715 HydrophobicContact CD1-CG2 4.3Å; L373-V715 HydrophobicContact CD2-CG2 4.01Å; L373-V715 HydrophobicContact CG-CG1 4.17Å; L373-V715 HydrophobicContact CG-CG2 4.03Å; M676-V715 CarbonylContact O-C 3.6Å; M676-V715 WeakPolarHBondContact O-CA 3.2Å; A678-V715 HydrophobicContact CB-CB 3.93Å; A678-V715 HydrophobicContact CB-CG2 3.63Å; E681-V715 HydrophobicContact CB-CB 4.49Å; E681-V715 HydrophobicContact CB-CG1 3.81Å; E681-V715 HydrophobicContact CG-CG1 3.89Å
716F85.7Confident70.6Confident1 Ų156.4 Ų56.40%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-125.3134.7-167.9-58.8-94.2000111.2D335 V339 F368 E369 E370 L671 M676 A678 K714D335-F716 HydrophobicContact CB-CZ 3.87Å; V339-F716 HydrophobicContact CG2-CD2 3.52Å; V339-F716 HydrophobicContact CG2-CE1 4.38Å; V339-F716 HydrophobicContact CG2-CE2 3.26Å; V339-F716 HydrophobicContact CG2-CG 4.21Å; V339-F716 HydrophobicContact CG2-CZ 3.73Å; F368-F716 HydrophobicContact CB-CB 4.44Å; F368-F716 HydrophobicContact CB-CD1 3.95Å; F368-F716 HydrophobicContact CD1-CB 4.29Å; E369-F716 VanDerWaalsContact O-CA 3.31Å; E369-F716 WeakPolarHBondContact O-CA 3.32Å; E370-F716 HydrophobicContact CB-CD1 4.32Å; E370-F716 HydrophobicContact CB-CE1 4.16Å; E370-F716 HydrophobicContact CG-CD1 3.83Å; E370-F716 HydrophobicContact CG-CE1 3.59Å; L671-F716 HydrophobicContact CD2-CB 4.25Å; M676-F716 HydrophobicContact CB-CD2 4.29Å; M676-F716 PolarHBondContact O-N 2.67Å; M676-F716 HydrophobicContact SD-CE2 4.37Å; A678-F716 WeakPolarHBondContact CB-O 3.49Å; A678-F716 PolarHBondContact N-O 3.38Å; K714-F716 HydrophobicContact CB-CE2 4.28Å; K714-F716 HydrophobicContact CB-CZ 4.25Å
717Y81.9Confident70Confident18 Ų1855.3 Ų55.37%0.07129%0.287CS..EExtended strand (participates in β ladder)trans-99.2138.2162.1-76.6-72.8000109.9F368 E369 I371 A678 E679 L682 K719F368-Y717 CarbonylContact C-O 3.58Å; F368-Y717 WeakPolarHBondContact CA-O 3.33Å; E369-Y717 PolarHBondContact N-O 3.37Å; E369-Y717 PolarHBondContact O-N 2.9Å; I371-Y717 HydrophobicContact CD1-CD2 3.52Å; I371-Y717 HydrophobicContact CD1-CE2 3.33Å; I371-Y717 HydrophobicContact CG1-CD2 4.44Å; A678-Y717 HydrophobicContact CB-CD1 3.96Å; A678-Y717 HydrophobicContact CB-CD2 3.42Å; A678-Y717 VanDerWaalsContact CB-CD2 3.42Å; A678-Y717 HydrophobicContact CB-CE1 3.96Å; A678-Y717 HydrophobicContact CB-CE2 3.42Å; A678-Y717 VanDerWaalsContact CB-CE2 3.42Å; A678-Y717 HydrophobicContact CB-CG 3.71Å; E679-Y717 HydrophobicContact CB-CD1 4.48Å; E679-Y717 HydrophobicContact CB-CE1 3.7Å; E679-Y717 HydrophobicContact CG-CE1 4.31Å; L682-Y717 HydrophobicContact CD1-CE2 3.85Å; L682-Y717 WeakPolarHBondContact CD1-OH 3.13Å; Y717-K719 PolarHBondContact O-N 3.28Å
718L79.3Confident69.4Low15 Ų1555.4 Ų55.48%0.07929%0.287CS..EExtended strand (participates in β ladder)trans-77.6119166-175.361.7000109.2A366 F368 E664 I667 T720A366-L718 HydrophobicContact CB-CD1 3.99Å; F368-L718 HydrophobicContact CD1-CD1 4.43Å; F368-L718 HydrophobicContact CE1-CD1 4.08Å; E664-L718 HydrophobicContact CB-CD2 3.9Å; E664-L718 HydrophobicContact CG-CD2 3.9Å; I667-L718 HydrophobicContact CB-CD2 4.21Å; I667-L718 HydrophobicContact CD1-CD1 4.49Å; I667-L718 HydrophobicContact CD1-CD2 4.5Å; I667-L718 HydrophobicContact CG2-CD1 4.34Å; I667-L718 HydrophobicContact CG2-CD2 4.08Å; L718-T720 PolarHBondContact O-N 3.43Å
719K72.8Confident69.1Low94 Ų9453.5 Ų53.541%0.40927%0.274SS..  trans-78.7103.9175.7-69.8-167.8177.8-1690110.1K367 E369 Y717K367-K719 HydrophobicContact CB-CB 4.17Å; K367-K719 WeakPolarHBondContact O-CB 3.39Å; K367-K719 PolarHBondContact O-N 2.94Å; E369-K719 HydrophobicContact CB-CD 4.45Å; E369-K719 VanDerWaalsContact CB-CE 3.45Å; E369-K719 HydrophobicContact CB-CG 4.18Å; E369-K719 WeakPolarHBondContact OE2-CE 3.29Å; E369-K719 IonicContact OE2-NZ 2.87Å; Y717-K719 PolarHBondContact O-N 3.28Å
720T63Low69Low48 Ų4848.4 Ų48.429%0.29425%0.25SC..  trans-71.8-32.7174.346.80000112.8L718 N722L718-T720 PolarHBondContact O-N 3.43Å; T720-N722 VanDerWaalsContact C-N 3.27Å; T720-N722 PolarHBondContact O-N 3.49Å
721D54.8Low69.1Low93 Ų9342.7 Ų42.750%0.49722%0.221SC..THydrogen-bonded Turntrans-81.913.2-156.8-52.2-27000115.7R691R691-D721 IonicContact NH2-OD2 2.77Å; R691-D721 PolarHBondContact NH2-OD2 3.11Å
722N53.3Low69Low104 Ų10441.1 Ų41.156%0.55621%0.212SC*.THydrogen-bonded Turntrans-155.455177.8-78-64.9000110.1T720 S724T720-N722 VanDerWaalsContact C-N 3.27Å; T720-N722 PolarHBondContact O-N 3.49Å; N722-S724 PolarHBondContact O-N 3.47Å; N722-S724 VanDerWaalsContact O-N 3.1Å
723A51.5Low69Low15 Ų1536.4 Ų36.412%0.12418%0.183CC..  trans-50.5122170.900000107.9I727A723-I727 HydrophobicContact CB-CB 4.08Å; A723-I727 HydrophobicContact CB-CG2 3.85Å
724S58.9Low68.6Low35 Ų3534.8 Ų34.825%0.24518%0.175CC..  trans-56.6150.5169.366.70000107.6N722 E726 I727 L728N722-S724 PolarHBondContact O-N 3.47Å; N722-S724 VanDerWaalsContact O-N 3.1Å; S724-E726 CarbonylContact O-C 3.52Å; S724-E726 PolarHBondContact O-N 3.42Å; S724-I727 CarbonylContact O-C 3.56Å; S724-I727 WeakPolarHBondContact O-CA 3.48Å; S724-I727 WeakPolarHBondContact O-CB 3.35Å; S724-I727 PolarHBondContact O-N 2.93Å; S724-I727 VanDerWaalsContact OG-CG1 3.32Å; S724-I727 WeakPolarHBondContact OG-CG1 3.37Å; S724-I727 PolarHBondContact OG-N 2.95Å; S724-I727 VanDerWaalsContact OG-N 3.1Å; S724-L728 PolarHBondContact O-N 3.48Å
725I60.6Low68.1Low26 Ų2640 Ų4013%0.13320%0.198CC..Hα-helixtrans-46.3-35.2173.6-49.9178000110.8P529 S530 L728 M729P529-I725 HydrophobicContact CB-CD1 4.25Å; S530-I725 VanDerWaalsContact OG-CG1 3.25Å; S530-I725 WeakPolarHBondContact OG-CG1 3.37Å; I725-L728 PolarHBondContact O-N 3.38Å; I725-M729 HydrophobicContact CG2-CE 4.32Å; I725-M729 HydrophobicContact CG2-CG 4.45Å; I725-M729 HydrophobicContact CG2-SD 4.47Å; I725-M729 WeakPolarHBondContact O-CB 3.42Å; I725-M729 VanDerWaalsContact O-CG 3.25Å; I725-M729 WeakPolarHBondContact O-CG 3.27Å; I725-M729 PolarHBondContact O-N 3.1Å
726E63.7Low67.5Low22 Ų2244.1 Ų44.110%0.10322%0.217CC..Hα-helixtrans-68.1-49.1177.6-67.1166.9-153.300111.2T28 R168 R294 Q365 S724 L728 M729 F730T28-E726 VanDerWaalsContact CG2-OE2 3.31Å; T28-E726 WeakPolarHBondContact CG2-OE2 3.16Å; R168-E726 IonicContact NH2-OE1 3.95Å; R168-E726 PolarHBondContact NH2-OE1 3.34Å; R294-E726 IonicContact CZ-OE2 3.18Å; R294-E726 IonicContact NH1-OE2 2.7Å; R294-E726 IonicContact NH2-OE2 2.77Å; R294-E726 PolarHBondContact NH2-OE2 3.24Å; Q365-E726 PolarHBondContact NE2-OE2 3.35Å; S724-E726 CarbonylContact O-C 3.52Å; S724-E726 PolarHBondContact O-N 3.42Å; E726-L728 PolarHBondContact O-N 2.93Å; E726-M729 HydrophobicContact CB-CE 4.38Å; E726-M729 HydrophobicContact CG-CE 3.85Å; E726-M729 CarbonylContact O-C 3.22Å; E726-M729 WeakPolarHBondContact O-CA 3.35Å; E726-M729 WeakPolarHBondContact O-CB 3.45Å; E726-M729 PolarHBondContact O-N 2.85Å; E726-M729 VanDerWaalsContact O-N 3.12Å; E726-F730 HydrophobicContact CB-CD2 4.35Å; E726-F730 HydrophobicContact CB-CE2 4.36Å; E726-F730 WeakPolarHBondContact O-CB 3.47Å; E726-F730 WeakPolarHBondContact O-CD2 3.4Å; E726-F730 PolarHBondContact O-N 3.35Å
727I63.5Low66.7Low24 Ų2444.8 Ų44.812%0.12322%0.221CC..Hα-helixtrans-56.6-42.1172.5-67.7164.7000110.5Q365 A723 S724 F730 R731Q365-I727 HydrophobicContact CB-CD1 3.85Å; Q365-I727 HydrophobicContact CB-CG1 3.93Å; Q365-I727 WeakPolarHBondContact O-CD1 3.19Å; A723-I727 HydrophobicContact CB-CB 4.08Å; A723-I727 HydrophobicContact CB-CG2 3.85Å; S724-I727 CarbonylContact O-C 3.56Å; S724-I727 WeakPolarHBondContact O-CA 3.48Å; S724-I727 WeakPolarHBondContact O-CB 3.35Å; S724-I727 PolarHBondContact O-N 2.93Å; S724-I727 VanDerWaalsContact OG-CG1 3.32Å; S724-I727 WeakPolarHBondContact OG-CG1 3.37Å; S724-I727 PolarHBondContact OG-N 2.95Å; S724-I727 VanDerWaalsContact OG-N 3.1Å; I727-F730 WeakPolarHBondContact O-CB 3.36Å; I727-F730 PolarHBondContact O-N 2.97Å; I727-R731 HydrophobicContact CG2-CG 4.41Å; I727-R731 WeakPolarHBondContact O-CB 3.49Å; I727-R731 VanDerWaalsContact O-CG 3.32Å; I727-R731 WeakPolarHBondContact O-CG 3.35Å; I727-R731 PolarHBondContact O-N 2.91Å
728L65.7Low66.3Low4 Ų447.3 Ų47.32%0.02123%0.233CC..Hα-helixtrans-60.4-49.5175.6-172.573.8000110.9A651 I654 S724 I725 E726 F730 R731 M732A651-L728 HydrophobicContact CB-CD2 4.05Å; I654-L728 HydrophobicContact CB-CD1 4.18Å; I654-L728 HydrophobicContact CG2-CD1 3.53Å; S724-L728 PolarHBondContact O-N 3.48Å; I725-L728 PolarHBondContact O-N 3.38Å; E726-L728 PolarHBondContact O-N 2.93Å; L728-F730 VanDerWaalsContact C-N 3.34Å; L728-F730 PolarHBondContact O-N 3.43Å; L728-R731 WeakPolarHBondContact O-CB 3.13Å; L728-R731 PolarHBondContact O-N 3.38Å; L728-R731 VanDerWaalsContact O-N 3.15Å; L728-M732 HydrophobicContact CD2-CE 3.64Å; L728-M732 HydrophobicContact CG-CE 3.69Å; L728-M732 WeakPolarHBondContact O-CG 3.37Å; L728-M732 PolarHBondContact O-N 2.86Å
729M66.8Low66.1Low26 Ų2652.6 Ų52.613%0.12826%0.257CS..Hα-helixtrans-57.4-42.9174.1-78.4-170.6-50.700112.7L283 V287 I725 E726 M732 F733L283-M729 HydrophobicContact CD1-SD 3.95Å; V287-M729 HydrophobicContact CG2-CB 3.71Å; V287-M729 HydrophobicContact CG2-CE 4.42Å; V287-M729 HydrophobicContact CG2-CG 4.05Å; V287-M729 HydrophobicContact CG2-SD 3.77Å; I725-M729 HydrophobicContact CG2-CE 4.32Å; I725-M729 HydrophobicContact CG2-CG 4.45Å; I725-M729 HydrophobicContact CG2-SD 4.47Å; I725-M729 WeakPolarHBondContact O-CB 3.42Å; I725-M729 VanDerWaalsContact O-CG 3.25Å; I725-M729 WeakPolarHBondContact O-CG 3.27Å; I725-M729 PolarHBondContact O-N 3.1Å; E726-M729 HydrophobicContact CB-CE 4.38Å; E726-M729 HydrophobicContact CG-CE 3.85Å; E726-M729 CarbonylContact O-C 3.22Å; E726-M729 WeakPolarHBondContact O-CA 3.35Å; E726-M729 WeakPolarHBondContact O-CB 3.45Å; E726-M729 PolarHBondContact O-N 2.85Å; E726-M729 VanDerWaalsContact O-N 3.12Å; M729-M732 PolarHBondContact O-N 3.34Å; M729-F733 VanDerWaalsContact O-CD2 3.3Å; M729-F733 WeakPolarHBondContact O-CD2 3.35Å; M729-F733 PolarHBondContact O-N 2.9Å
730F68Low65.9Low31 Ų3151.1 Ų51.114%0.13625%0.254CS..Hα-helixtrans-61.8-43.7174.8-84.8-77000111.1I291 E362 E726 I727 L728 F733 E734 I737I291-F730 HydrophobicContact CD1-CD1 3.77Å; I291-F730 HydrophobicContact CD1-CE1 3.19Å; I291-F730 HydrophobicContact CD1-CZ 3.93Å; I291-F730 HydrophobicContact CG1-CD1 4.3Å; I291-F730 HydrophobicContact CG1-CE1 3.28Å; I291-F730 HydrophobicContact CG1-CZ 3.51Å; E362-F730 HydrophobicContact CG-CE1 4.39Å; E726-F730 HydrophobicContact CB-CD2 4.35Å; E726-F730 HydrophobicContact CB-CE2 4.36Å; E726-F730 WeakPolarHBondContact O-CB 3.47Å; E726-F730 WeakPolarHBondContact O-CD2 3.4Å; E726-F730 PolarHBondContact O-N 3.35Å; I727-F730 WeakPolarHBondContact O-CB 3.36Å; I727-F730 PolarHBondContact O-N 2.97Å; L728-F730 VanDerWaalsContact C-N 3.34Å; L728-F730 PolarHBondContact O-N 3.43Å; F730-F733 CarbonylContact O-C 3.58Å; F730-F733 PolarHBondContact O-N 2.92Å; F730-E734 VanDerWaalsContact O-CA 3.29Å; F730-E734 WeakPolarHBondContact O-CA 3.3Å; F730-E734 PolarHBondContact O-N 3.2Å; F730-I737 HydrophobicContact CD1-CD1 3.82Å; F730-I737 HydrophobicContact CE1-CD1 4.47Å
731R68.1Low66Low53 Ų5351 Ų5120%0.225%0.253CS..Hα-helixtrans-63.3-40.9174.4-71.7-177.8-169.7165.66.6111.6E664 I727 L728 F733 E734E664-R731 IonicContact OE1-CZ 2.72Å; E664-R731 IonicContact OE1-NH2 2.85Å; E664-R731 PolarHBondContact OE1-NH2 3.32Å; E664-R731 IonicContact OE2-NH2 2.74Å; I727-R731 HydrophobicContact CG2-CG 4.41Å; I727-R731 WeakPolarHBondContact O-CB 3.49Å; I727-R731 VanDerWaalsContact O-CG 3.32Å; I727-R731 WeakPolarHBondContact O-CG 3.35Å; I727-R731 PolarHBondContact O-N 2.91Å; L728-R731 WeakPolarHBondContact O-CB 3.13Å; L728-R731 PolarHBondContact O-N 3.38Å; L728-R731 VanDerWaalsContact O-N 3.15Å; R731-F733 PolarHBondContact O-N 2.98Å; R731-E734 PolarHBondContact O-N 3.17Å
732M67.6Low66.8Low24 Ų2452.4 Ų52.412%0.11826%0.256CS..Hα-helixtrans-57.5-36.6179.2-45.5-153.9162.500111.8L283 E650 A651 I654 L728 M729L283-M732 HydrophobicContact CD2-SD 4.22Å; E650-M732 HydrophobicContact CB-CE 4.4Å; E650-M732 HydrophobicContact CB-SD 4.43Å; E650-M732 HydrophobicContact CG-CE 3.94Å; E650-M732 HydrophobicContact CG-SD 3.47Å; E650-M732 WeakPolarHBondContact CG-SD 3.34Å; A651-M732 HydrophobicContact CB-CE 4.26Å; I654-M732 HydrophobicContact CD1-CB 3.63Å; I654-M732 HydrophobicContact CD1-CE 3.83Å; I654-M732 HydrophobicContact CD1-CG 3.2Å; I654-M732 HydrophobicContact CD1-SD 3.77Å; L728-M732 HydrophobicContact CD2-CE 3.64Å; L728-M732 HydrophobicContact CG-CE 3.69Å; L728-M732 WeakPolarHBondContact O-CG 3.37Å; L728-M732 PolarHBondContact O-N 2.86Å; M729-M732 PolarHBondContact O-N 3.34Å
733F73Confident67.7Low4 Ų451.7 Ų51.72%0.01825%0.253CS..THydrogen-bonded Turntrans-116.219.2-173.2-60.7-71.2000113.1K280 L283 G284 V287 M729 F730 R731 K735 E736 I737K280-F733 HydrophobicContact CG-CE1 4.46Å; K280-F733 HydrophobicContact CG-CZ 4.45Å; L283-F733 HydrophobicContact CB-CE2 4.32Å; L283-F733 HydrophobicContact CB-CZ 4.22Å; L283-F733 HydrophobicContact CD2-CE2 4.08Å; L283-F733 HydrophobicContact CD2-CZ 4.39Å; L283-F733 HydrophobicContact CG-CE2 3.91Å; L283-F733 HydrophobicContact CG-CZ 4.28Å; G284-F733 VanDerWaalsContact CA-CE1 3.44Å; G284-F733 VanDerWaalsContact N-CZ 3.25Å; V287-F733 HydrophobicContact CB-CD2 4.23Å; V287-F733 HydrophobicContact CG1-CD2 4.44Å; V287-F733 HydrophobicContact CG2-CD2 4.05Å; V287-F733 HydrophobicContact CG2-CE2 4.28Å; M729-F733 VanDerWaalsContact O-CD2 3.3Å; M729-F733 WeakPolarHBondContact O-CD2 3.35Å; M729-F733 PolarHBondContact O-N 2.9Å; F730-F733 CarbonylContact O-C 3.58Å; F730-F733 PolarHBondContact O-N 2.92Å; R731-F733 PolarHBondContact O-N 2.98Å; F733-K735 VanDerWaalsContact C-N 3.27Å; F733-K735 PolarHBondContact O-N 3.15Å; F733-E736 WeakPolarHBondContact CD1-OE2 3.4Å; F733-E736 PolarHBondContact O-N 2.99Å; F733-E736 VanDerWaalsContact O-N 3.12Å; F733-I737 HydrophobicContact CB-CD1 3.95Å; F733-I737 HydrophobicContact CB-CG1 4.2Å; F733-I737 WeakPolarHBondContact O-CB 3.49Å; F733-I737 WeakPolarHBondContact O-CD1 3.5Å; F733-I737 WeakPolarHBondContact O-CG1 3.24Å; F733-I737 PolarHBondContact O-N 3.07Å
734E72.8Confident68.3Low45 Ų4554.7 Ų54.721%0.2127%0.266CS..Hα-helixtrans-54.1-44.7-172.8-173.9172.9-155.800111.2F663 F730 R731 I737 E738F663-E734 PolarHBondContact N-OE1 3.19Å; F730-E734 VanDerWaalsContact O-CA 3.29Å; F730-E734 WeakPolarHBondContact O-CA 3.3Å; F730-E734 PolarHBondContact O-N 3.2Å; R731-E734 PolarHBondContact O-N 3.17Å; E734-I737 PolarHBondContact O-N 3.25Å; E734-E738 WeakPolarHBondContact O-CB 3.36Å; E734-E738 VanDerWaalsContact O-CG 3.3Å; E734-E738 WeakPolarHBondContact O-CG 3.34Å; E734-E738 PolarHBondContact O-N 3.19Å
735K73.8Confident68.4Low159 Ų15956.2 Ų56.269%0.69127%0.274SS*.Hα-helixtrans-63.1-48.4177.7-66.2-177.9-179.7177.20113.1F733 I737 E738 E739F733-K735 VanDerWaalsContact C-N 3.27Å; F733-K735 PolarHBondContact O-N 3.15Å; K735-I737 VanDerWaalsContact C-N 3.28Å; K735-I737 PolarHBondContact O-N 3.33Å; K735-E738 PolarHBondContact O-N 3.46Å; K735-E739 WeakPolarHBondContact O-CG 3.4Å; K735-E739 PolarHBondContact O-N 3.18Å
736E72.8Confident68.6Low85 Ų8559.3 Ų59.340%0.39729%0.291SS..Hα-helixtrans-65.4-35.8180-63.9176.4-165.200111.4F733 L740F733-E736 WeakPolarHBondContact CD1-OE2 3.4Å; F733-E736 PolarHBondContact O-N 2.99Å; F733-E736 VanDerWaalsContact O-N 3.12Å; E736-L740 WeakPolarHBondContact O-CB 3.4Å; E736-L740 WeakPolarHBondContact O-CD1 3.27Å; E736-L740 WeakPolarHBondContact O-CG 3.19Å; E736-L740 PolarHBondContact O-N 3.5Å
737I69.6Low68.5Low16 Ų1665.9 Ų65.98%0.08232%0.319CS..Hα-helixtrans-67.3-45.7175.4-66.1162.3000109.9V287 I291 F730 F733 E734 K735 E739 L740 V741V287-I737 HydrophobicContact CG1-CD1 4.06Å; I291-I737 HydrophobicContact CD1-CD1 3.44Å; I291-I737 VanDerWaalsContact CD1-CD1 3.44Å; I291-I737 HydrophobicContact CD1-CG1 3.69Å; I291-I737 HydrophobicContact CD1-CG2 3.97Å; F730-I737 HydrophobicContact CD1-CD1 3.82Å; F730-I737 HydrophobicContact CE1-CD1 4.47Å; F733-I737 HydrophobicContact CB-CD1 3.95Å; F733-I737 HydrophobicContact CB-CG1 4.2Å; F733-I737 WeakPolarHBondContact O-CB 3.49Å; F733-I737 WeakPolarHBondContact O-CD1 3.5Å; F733-I737 WeakPolarHBondContact O-CG1 3.24Å; F733-I737 PolarHBondContact O-N 3.07Å; E734-I737 PolarHBondContact O-N 3.25Å; K735-I737 VanDerWaalsContact C-N 3.28Å; K735-I737 PolarHBondContact O-N 3.33Å; I737-E739 PolarHBondContact O-N 2.9Å; I737-L740 PolarHBondContact O-N 3.26Å; I737-V741 HydrophobicContact CG2-CG2 4.18Å; I737-V741 WeakPolarHBondContact O-CG2 3.44Å; I737-V741 PolarHBondContact O-N 3.48Å
738E72.4Confident67.9Low70 Ų7071.5 Ų71.533%0.32735%0.348SS..Hα-helixtrans-55.2-49.8175.3-77177.5168.100110.7K662 E734 K735 L740 V741 E742K662-E738 IonicContact NZ-OE1 3.9Å; K662-E738 IonicContact NZ-OE2 2.84Å; K662-E738 PolarHBondContact NZ-OE2 3.39Å; E734-E738 WeakPolarHBondContact O-CB 3.36Å; E734-E738 VanDerWaalsContact O-CG 3.3Å; E734-E738 WeakPolarHBondContact O-CG 3.34Å; E734-E738 PolarHBondContact O-N 3.19Å; K735-E738 PolarHBondContact O-N 3.46Å; E738-L740 PolarHBondContact O-N 3.18Å; E738-V741 PolarHBondContact O-N 3.31Å; E738-E742 WeakPolarHBondContact O-CG 3.32Å; E738-E742 PolarHBondContact O-N 2.96Å
739E75.8Confident67Low127 Ų12776.3 Ų76.359%0.59338%0.378SS*.Hα-helixtrans-58.6-44.1176.4-71.5172.7-171.200112.4K735 I737 E742 D743K735-E739 WeakPolarHBondContact O-CG 3.4Å; K735-E739 PolarHBondContact O-N 3.18Å; I737-E739 PolarHBondContact O-N 2.9Å; E739-E742 WeakPolarHBondContact O-CB 3.33Å; E739-E742 PolarHBondContact O-N 3.04Å; E739-D743 PolarHBondContact O-N 3.44Å
740L68.3Low65.6Low63 Ų6377.8 Ų77.833%0.3340%0.395SS..Hα-helixtrans-67.6-36.7177.5-81.5163.2000113.3I288 E736 I737 E738 E742 D743 L744I288-L740 HydrophobicContact CB-CD1 4.14Å; I288-L740 HydrophobicContact CD1-CD1 3.24Å; I288-L740 HydrophobicContact CG1-CD1 3.44Å; I288-L740 VanDerWaalsContact CG1-CD1 3.44Å; I288-L740 HydrophobicContact CG2-CD1 3.59Å; E736-L740 WeakPolarHBondContact O-CB 3.4Å; E736-L740 WeakPolarHBondContact O-CD1 3.27Å; E736-L740 WeakPolarHBondContact O-CG 3.19Å; E736-L740 PolarHBondContact O-N 3.5Å; I737-L740 PolarHBondContact O-N 3.26Å; E738-L740 PolarHBondContact O-N 3.18Å; L740-E742 VanDerWaalsContact C-N 3.34Å; L740-D743 PolarHBondContact O-N 3.02Å; L740-L744 WeakPolarHBondContact O-CB 3.5Å; L740-L744 WeakPolarHBondContact O-CD1 3.5Å; L740-L744 PolarHBondContact O-N 3.38Å
741V66Low64Low46 Ų4681.1 Ų81.128%0.27942%0.419SS..Hα-helixtrans-64.2-44.5174.5175.20000109.4I737 E738 L744 T745I737-V741 HydrophobicContact CG2-CG2 4.18Å; I737-V741 WeakPolarHBondContact O-CG2 3.44Å; I737-V741 PolarHBondContact O-N 3.48Å; E738-V741 PolarHBondContact O-N 3.31Å; V741-L744 PolarHBondContact O-N 3.14Å; V741-T745 PolarHBondContact O-N 2.86Å; V741-T745 PolarHBondContact O-OG1 2.93Å
742E70.7Confident62.5Low122 Ų12288.7 Ų88.757%0.5745%0.454SS*.Hα-helixtrans-58.2-47.7175.5-74.7-178-176.200111.4E738 E739 L740 L744 T745 N746E738-E742 WeakPolarHBondContact O-CG 3.32Å; E738-E742 PolarHBondContact O-N 2.96Å; E739-E742 WeakPolarHBondContact O-CB 3.33Å; E739-E742 PolarHBondContact O-N 3.04Å; L740-E742 VanDerWaalsContact C-N 3.34Å; E742-L744 PolarHBondContact O-N 2.89Å; E742-T745 VanDerWaalsContact CA-OG1 3.27Å; E742-T745 WeakPolarHBondContact CA-OG1 3.49Å; E742-T745 PolarHBondContact O-N 2.69Å; E742-T745 PolarHBondContact O-OG1 3.48Å; E742-N746 WeakPolarHBondContact O-CB 3.34Å; E742-N746 PolarHBondContact O-N 3.26Å; E742-N746 PolarHBondContact O-ND2 3.35Å
743D72.4Confident60.8Low89 Ų8994.4 Ų94.448%0.47648%0.484SS..Hα-helixtrans-60.9-42.1176.4-97.66.4000113.4E739 L740 N746 K747E739-D743 PolarHBondContact O-N 3.44Å; L740-D743 PolarHBondContact O-N 3.02Å; D743-N746 PolarHBondContact O-N 2.98Å; D743-K747 WeakPolarHBondContact O-CB 3.34Å; D743-K747 WeakPolarHBondContact O-CG 3.3Å; D743-K747 PolarHBondContact O-N 3.43Å
744L63Low58.8Low78 Ų78103.1 Ų103.141%0.40852%0.522SS..Hα-helixtrans-65.2-43.4175.7-89.5153.8000111.3L740 V741 E742 K747 L748L740-L744 WeakPolarHBondContact O-CB 3.5Å; L740-L744 WeakPolarHBondContact O-CD1 3.5Å; L740-L744 PolarHBondContact O-N 3.38Å; V741-L744 PolarHBondContact O-N 3.14Å; E742-L744 PolarHBondContact O-N 2.89Å; L744-K747 PolarHBondContact O-N 3.01Å; L744-L748 WeakPolarHBondContact O-CG 2.94Å; L744-L748 PolarHBondContact O-N 3Å; L744-L748 VanDerWaalsContact O-N 3.14Å
745T61.4Low57.1Low66 Ų66105.7 Ų105.741%0.40555%0.551SS.*Hα-helixtrans-63.5-43.1175.145.30000111.3V741 E742 K747 L748 T749V741-T745 PolarHBondContact O-N 2.86Å; V741-T745 PolarHBondContact O-OG1 2.93Å; E742-T745 VanDerWaalsContact CA-OG1 3.27Å; E742-T745 WeakPolarHBondContact CA-OG1 3.49Å; E742-T745 PolarHBondContact O-N 2.69Å; E742-T745 PolarHBondContact O-OG1 3.48Å; T745-K747 VanDerWaalsContact C-N 3.34Å; T745-K747 PolarHBondContact O-N 3.29Å; T745-L748 PolarHBondContact O-N 3.12Å; T745-L748 VanDerWaalsContact O-N 3.09Å; T745-T749 WeakPolarHBondContact O-CG2 3.32Å; T745-T749 PolarHBondContact O-N 3.29Å; T745-T749 PolarHBondContact O-OG1 3.23Å
746N64.2Low55.2Low91 Ų91106.8 Ų106.849%0.48756%0.558SS.*Hα-helixtrans-62.3-39.2177.9-72.4-24.5000112.2E742 D743 L748 T749 A750E742-N746 WeakPolarHBondContact O-CB 3.34Å; E742-N746 PolarHBondContact O-N 3.26Å; E742-N746 PolarHBondContact O-ND2 3.35Å; D743-N746 PolarHBondContact O-N 2.98Å; N746-L748 VanDerWaalsContact C-N 3.31Å; N746-L748 PolarHBondContact O-N 3.23Å; N746-T749 WeakPolarHBondContact CA-OG1 3.31Å; N746-T749 PolarHBondContact O-N 2.96Å; N746-T749 PolarHBondContact O-OG1 3.4Å; N746-A750 WeakPolarHBondContact O-CB 3.43Å; N746-A750 PolarHBondContact O-N 2.98Å
747K61.6Low53.5Low161 Ų161109.5 Ų109.570%0.758%0.575SS**Hα-helixtrans-67.4-29.6174.6-77.4174.8-176.6168.40113.3D743 L744 T745D743-K747 WeakPolarHBondContact O-CB 3.34Å; D743-K747 WeakPolarHBondContact O-CG 3.3Å; D743-K747 PolarHBondContact O-N 3.43Å; L744-K747 PolarHBondContact O-N 3.01Å; T745-K747 VanDerWaalsContact C-N 3.34Å; T745-K747 PolarHBondContact O-N 3.29Å
748L52.2Low52.1Low141 Ų141114 Ų11474%0.73861%0.605SS**Hα-helixtrans-83.1-30.5177.4-72166.8000112.5L744 T745 N746L744-L748 WeakPolarHBondContact O-CG 2.94Å; L744-L748 PolarHBondContact O-N 3Å; L744-L748 VanDerWaalsContact O-N 3.14Å; T745-L748 PolarHBondContact O-N 3.12Å; T745-L748 VanDerWaalsContact O-N 3.09Å; N746-L748 VanDerWaalsContact C-N 3.31Å; N746-L748 PolarHBondContact O-N 3.23Å
749T46Very low50.6Low105 Ų105119.1 Ų119.164%0.64463%0.627SS**Hα-helixtrans-88-15.8178.153.60000113.6T745 N746 P751T745-T749 WeakPolarHBondContact O-CG2 3.32Å; T745-T749 PolarHBondContact O-N 3.29Å; T745-T749 PolarHBondContact O-OG1 3.23Å; N746-T749 WeakPolarHBondContact CA-OG1 3.31Å; N746-T749 PolarHBondContact O-N 2.96Å; N746-T749 PolarHBondContact O-OG1 3.4Å; T749-P751 WeakPolarHBondContact O-CD 3.39Å
750A37.7Very low48.9Very low58 Ų58117.6 Ų117.648%0.47963%0.63SS.*SBendtrans-65.3119.6170.800000109.8N746 K752N746-A750 WeakPolarHBondContact O-CB 3.43Å; N746-A750 PolarHBondContact O-N 2.98Å; A750-K752 PolarHBondContact O-N 2.76Å
751P35.1Very low47.5Very low100 Ų100123.1 Ų123.165%0.64965%0.654SS**  trans-58.9135.2172.824.4-30.5000108.1T749 L753T749-P751 WeakPolarHBondContact O-CD 3.39Å; P751-L753 HydrophobicContact CG-CD1 4.42Å; P751-L753 PolarHBondContact O-N 3.43Å
752K36.5Very low46Very low213 Ų213132.1 Ų132.193%0.92670%0.699SS**  trans-5389.9171.7-74.5-178.1178.1177.80109.2A750 K754A750-K752 PolarHBondContact O-N 2.76Å; K752-K754 PolarHBondContact O-N 2.53Å
753L31.7Very low44.8Very low144 Ų144132.6 Ų132.675%0.75471%0.706SS**  trans-73.6103.1174.8-124.9101.3000107.1P751P751-L753 HydrophobicContact CG-CD1 4.42Å; P751-L753 PolarHBondContact O-N 3.43Å
754K30.3Very low43.4Very low186 Ų186134.9 Ų134.981%0.80972%0.718SS**  trans60.486157-61.5-179.5177.8-178.90116.6K752K752-K754 PolarHBondContact O-N 2.53Å
755A36.9Very low42.3Very low100 Ų100138.1 Ų138.183%0.82674%0.735SS**PPolyproline II helixtrans-77.3128.4141.500000107.8D757A755-D757 PolarHBondContact O-N 3.34Å
756H34.6Very low41.1Very low182 Ų182142.3 Ų142.384%0.84375%0.754SS**PPolyproline II helixtrans-49.3119.5178.7-79.8-93.5000113.2
757D37Very low39.7Very low142 Ų142145.5 Ų145.576%0.75977%0.771SS**PPolyproline II helixtrans-93.3117.9155-97.7-24.2000108.4A755 F759A755-D757 PolarHBondContact O-N 3.34Å; D757-F759 PolarHBondContact O-N 3.36Å
758P40.7Very low38.2Very low109 Ų109144.5 Ų144.571%0.70878%0.776SS**THydrogen-bonded Turntrans-76.18.3-179.7-13.228.7000115.1
759F40.7Very low37.2Very low179 Ų179144.7 Ų144.779%0.78578%0.779SS**THydrogen-bonded Turntrans-127.215.9-162.6-75.1-75.6000116D757 H761D757-F759 PolarHBondContact O-N 3.36Å; F759-H761 PolarHBondContact O-N 3.36Å
760S39.5Very low36.6Very low94 Ų94147.8 Ų147.866%0.65779%0.789SS**  trans-92.619.3-178.369.80000115.5
761H39.2Very low36.5Very low179 Ų179155.3 Ų155.383%0.82982%0.815SS**  trans-127.866.3171.7-74.7-62.6000110.4F759F759-H761 PolarHBondContact O-N 3.36Å
762L35.6Very low36.6Very low235 Ų235160.3 Ų160.3100%1.2383%0.83SS**  trans-174.50162.4-97.5149.6000106.1

Retrieved 762 of 762 residues in 368.9 ms (Link to these results)

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