A0A3Q0KET5_SCHMA Loading...

Letm1 RBD domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KET5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 358 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
1M59.9Low75.6Confident132 Ų132110.7 Ų110.765%0.6551%0.514SS*.  0-46.40-159.5152.565.300113.9M3 F4 K5 C67M1-M3 PolarHBondContact O-N 3.15Å; M1-F4 WeakPolarHBondContact O-CB 3.41Å; M1-F4 PolarHBondContact O-N 3.36Å; M1-F4 VanDerWaalsContact O-N 3.15Å; M1-K5 PolarHBondContact O-N 3.19Å; M1-K5 VanDerWaalsContact O-N 3.11Å; M1-C67 VanDerWaalsContact CE-CA 3.44Å; M1-C67 HydrophobicContact CE-CB 4.24Å; M1-C67 WeakPolarHBondContact CE-O 3.5Å
2F67.5Low76.4Confident162 Ų162103.7 Ų103.771%0.71149%0.485SS*.Hα-helixtrans-59.5-39.6-179.9-150.8-93.5000114.3F4 K5 K6F2-F4 PolarHBondContact O-N 2.85Å; F2-K5 PolarHBondContact O-N 3.16Å; F2-K6 PolarHBondContact O-N 3.31Å
3M69.9Low77.1Confident158 Ų158102.5 Ų102.578%0.77849%0.489SS*.Hα-helixtrans-61.8-40.4174.9-74.7-76.2-86.400112.6M1 K6 Y7M1-M3 PolarHBondContact O-N 3.15Å; M3-K6 PolarHBondContact O-N 3.41Å; M3-Y7 WeakPolarHBondContact O-CB 3.23Å; M3-Y7 PolarHBondContact O-N 3.16Å
4F73.3Confident77.9Confident121 Ų121100 Ų10053%0.53148%0.483SS..Hα-helixtrans-65.9-43.9177.1-176.7-99.5000111.3M1 F2 K6 Y7 L8 M63M1-F4 WeakPolarHBondContact O-CB 3.41Å; M1-F4 PolarHBondContact O-N 3.36Å; M1-F4 VanDerWaalsContact O-N 3.15Å; F2-F4 PolarHBondContact O-N 2.85Å; F4-K6 PolarHBondContact O-N 3.22Å; F4-Y7 PolarHBondContact O-N 2.87Å; F4-L8 PolarHBondContact O-N 2.9Å; F4-M63 HydrophobicContact CD1-SD 4.33Å; F4-M63 HydrophobicContact CE1-CE 4.2Å; F4-M63 HydrophobicContact CE1-SD 4.36Å
5K74.8Confident78.4Confident56 Ų5699.1 Ų99.124%0.24349%0.486CS..Hα-helixtrans-55.3-49.4172.8170.5168.4177.1-1780111.7M1 F2 Y7 L8 T9 M63 D64M1-K5 PolarHBondContact O-N 3.19Å; M1-K5 VanDerWaalsContact O-N 3.11Å; F2-K5 PolarHBondContact O-N 3.16Å; K5-Y7 VanDerWaalsContact C-N 3.3Å; K5-Y7 PolarHBondContact O-N 2.86Å; K5-L8 PolarHBondContact O-N 3.01Å; K5-T9 WeakPolarHBondContact O-CG2 2.87Å; K5-T9 PolarHBondContact O-N 3.39Å; K5-T9 VanDerWaalsContact O-N 3.12Å; K5-T9 PolarHBondContact O-OG1 2.82Å; K5-M63 HydrophobicContact CB-CB 4.4Å; K5-M63 HydrophobicContact CB-SD 4.25Å; K5-M63 HydrophobicContact CD-CB 4.01Å; K5-M63 HydrophobicContact CG-CB 3.83Å; K5-M63 HydrophobicContact CG-CG 4.18Å; K5-D64 WeakPolarHBondContact CE-OD1 3.47Å; K5-D64 IonicContact NZ-OD1 3.41Å; K5-D64 PolarHBondContact NZ-OD1 3Å
6K76.7Confident78.8Confident143 Ų14394.8 Ų94.862%0.62247%0.467SS*.Hα-helixtrans-64.1-35.1178.8-168.9176.2-1791780112.3F2 M3 F4 T9 K10F2-K6 PolarHBondContact O-N 3.31Å; M3-K6 PolarHBondContact O-N 3.41Å; F4-K6 PolarHBondContact O-N 3.22Å; K6-T9 PolarHBondContact O-OG1 2.91Å; K6-K10 WeakPolarHBondContact O-CB 3.29Å; K6-K10 PolarHBondContact O-N 3.38Å
7Y82Confident79.4Confident171 Ų17196.9 Ų96.967%0.67147%0.473SS*.Hα-helixtrans-69.5-49178.2-173.8-91000111.8M3 F4 K5 K10 A11M3-Y7 WeakPolarHBondContact O-CB 3.23Å; M3-Y7 PolarHBondContact O-N 3.16Å; F4-Y7 PolarHBondContact O-N 2.87Å; K5-Y7 VanDerWaalsContact C-N 3.3Å; K5-Y7 PolarHBondContact O-N 2.86Å; Y7-K10 PolarHBondContact O-N 2.94Å; Y7-A11 WeakPolarHBondContact O-CB 3.48Å; Y7-A11 PolarHBondContact O-N 2.99Å
8L78.2Confident79.8Confident57 Ų5799.9 Ų99.930%0.29848%0.484SS..Hα-helixtrans-65.1-45.9-178.5-169.477.1000111.8F4 K5 K10 A11 V12 M63F4-L8 PolarHBondContact O-N 2.9Å; K5-L8 PolarHBondContact O-N 3.01Å; L8-K10 VanDerWaalsContact C-N 3.26Å; L8-K10 PolarHBondContact O-N 3.24Å; L8-A11 WeakPolarHBondContact O-CB 3.48Å; L8-A11 PolarHBondContact O-N 3.44Å; L8-A11 VanDerWaalsContact O-N 3.1Å; L8-V12 HydrophobicContact CG-CG2 4.49Å; L8-V12 WeakPolarHBondContact O-CG2 3.2Å; L8-V12 PolarHBondContact O-N 3.42Å; L8-M63 HydrophobicContact CB-SD 3.86Å; L8-M63 HydrophobicContact CD2-CE 3.13Å; L8-M63 HydrophobicContact CD2-CG 4.1Å; L8-M63 HydrophobicContact CD2-SD 3.53Å; L8-M63 VanDerWaalsContact CD2-SD 3.53Å; L8-M63 HydrophobicContact CG-CE 4.4Å; L8-M63 HydrophobicContact CG-SD 4.32Å
9T79.3Confident80.1Confident35 Ų3596.4 Ų96.422%0.21547%0.465CS..Hα-helixtrans-61.8-37.1177.955.50000111.5K5 K6 T13 M63K5-T9 WeakPolarHBondContact O-CG2 2.87Å; K5-T9 PolarHBondContact O-N 3.39Å; K5-T9 VanDerWaalsContact O-N 3.12Å; K5-T9 PolarHBondContact O-OG1 2.82Å; K6-T9 PolarHBondContact O-OG1 2.91Å; T9-T13 WeakPolarHBondContact O-CB 3.03Å; T9-T13 PolarHBondContact O-N 2.93Å; T9-T13 PolarHBondContact O-OG1 3.2Å; T9-M63 HydrophobicContact CG2-CG 4.13Å
10K84.2Confident80.4Confident146 Ų14693.7 Ų93.764%0.63545%0.454SS*.Hα-helixtrans-66.2-43173.4-169.4177.5-177.9-176.60111.4K6 Y7 L8 T13 V14K6-K10 WeakPolarHBondContact O-CB 3.29Å; K6-K10 PolarHBondContact O-N 3.38Å; Y7-K10 PolarHBondContact O-N 2.94Å; L8-K10 VanDerWaalsContact C-N 3.26Å; L8-K10 PolarHBondContact O-N 3.24Å; K10-T13 PolarHBondContact O-N 3.43Å; K10-V14 WeakPolarHBondContact O-CB 3.34Å; K10-V14 VanDerWaalsContact O-CG2 3.24Å; K10-V14 WeakPolarHBondContact O-CG2 3.03Å; K10-V14 PolarHBondContact O-N 2.81Å
11A86.1Confident80.7Confident37 Ų3795.7 Ų95.731%0.30646%0.461SS..Hα-helixtrans-61.4-48.1177.900000111.6Y7 L8 V14 V15Y7-A11 WeakPolarHBondContact O-CB 3.48Å; Y7-A11 PolarHBondContact O-N 2.99Å; L8-A11 WeakPolarHBondContact O-CB 3.48Å; L8-A11 PolarHBondContact O-N 3.44Å; L8-A11 VanDerWaalsContact O-N 3.1Å; A11-V14 PolarHBondContact O-N 3.3Å; A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 3.05Å
12V84.8Confident81.9Confident26 Ų2692.3 Ų92.316%0.15845%0.445CS..Hα-helixtrans-61.6-46.7176.7174.40000110.8L8 V14 V15 V16 L55L8-V12 HydrophobicContact CG-CG2 4.49Å; L8-V12 WeakPolarHBondContact O-CG2 3.2Å; L8-V12 PolarHBondContact O-N 3.42Å; V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 PolarHBondContact O-N 3.22Å; V12-V15 PolarHBondContact O-N 3.28Å; V12-V15 VanDerWaalsContact O-N 3.13Å; V12-V16 HydrophobicContact CG1-CG2 4.16Å; V12-V16 WeakPolarHBondContact O-CB 3.39Å; V12-V16 VanDerWaalsContact O-CG2 3.27Å; V12-V16 WeakPolarHBondContact O-CG2 3.16Å; V12-V16 PolarHBondContact O-N 3.35Å; V12-L55 HydrophobicContact CG1-CD2 4.39Å; V12-L55 HydrophobicContact CG1-CG 4.12Å
13T85.4Confident82.6Confident88 Ų8884.9 Ų84.954%0.5441%0.413SS..Hα-helixtrans-58.1-38.5176.6-550000112.2T9 K10 K17T9-T13 WeakPolarHBondContact O-CB 3.03Å; T9-T13 PolarHBondContact O-N 2.93Å; T9-T13 PolarHBondContact O-OG1 3.2Å; K10-T13 PolarHBondContact O-N 3.43Å; T13-K17 VanDerWaalsContact O-CB 3.3Å; T13-K17 WeakPolarHBondContact O-CB 3.44Å; T13-K17 PolarHBondContact O-N 3.42Å
14V88.2Confident83.2Confident68 Ų6880.2 Ų80.241%0.41239%0.393SS..Hα-helixtrans-67.1-44.8176168.70000111.4K10 A11 V12 K17 K18K10-V14 WeakPolarHBondContact O-CB 3.34Å; K10-V14 VanDerWaalsContact O-CG2 3.24Å; K10-V14 WeakPolarHBondContact O-CG2 3.03Å; K10-V14 PolarHBondContact O-N 2.81Å; A11-V14 PolarHBondContact O-N 3.3Å; V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 PolarHBondContact O-N 3.22Å; V14-K17 PolarHBondContact O-N 3.37Å; V14-K18 HydrophobicContact CG1-CD 4.35Å; V14-K18 WeakPolarHBondContact O-CB 3.49Å; V14-K18 WeakPolarHBondContact O-CG 3.36Å; V14-K18 PolarHBondContact O-N 3.14Å
15V85.3Confident83.7Confident87 Ų8781.1 Ų81.153%0.52739%0.394SS..Hα-helixtrans-60.4-49176.6171.10000110.3A11 V12 K17 K18 Y19A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 3.05Å; V12-V15 PolarHBondContact O-N 3.28Å; V12-V15 VanDerWaalsContact O-N 3.13Å; V15-K17 PolarHBondContact O-N 2.88Å; V15-K18 PolarHBondContact O-N 3.34Å; V15-Y19 WeakPolarHBondContact O-CB 3.27Å; V15-Y19 PolarHBondContact O-N 2.91Å
16V85.7Confident83.9Confident30 Ų3079.5 Ų79.518%0.18239%0.388CS..Hα-helixtrans-54.9-50.7176.1167.90000110.5V12 K18 Y19 T20 L52 L55V12-V16 HydrophobicContact CG1-CG2 4.16Å; V12-V16 WeakPolarHBondContact O-CB 3.39Å; V12-V16 VanDerWaalsContact O-CG2 3.27Å; V12-V16 WeakPolarHBondContact O-CG2 3.16Å; V12-V16 PolarHBondContact O-N 3.35Å; V16-K18 PolarHBondContact O-N 3.15Å; V16-Y19 PolarHBondContact O-N 3.37Å; V16-T20 HydrophobicContact CG1-CG2 4.48Å; V16-T20 WeakPolarHBondContact O-CG2 3.42Å; V16-T20 PolarHBondContact O-N 3.2Å; V16-T20 PolarHBondContact O-OG1 3.4Å; V16-T20 VanDerWaalsContact O-OG1 3.1Å; V16-L52 HydrophobicContact CB-CD2 4.47Å; V16-L52 HydrophobicContact CG1-CB 3.99Å; V16-L52 HydrophobicContact CG1-CD1 4.36Å; V16-L52 HydrophobicContact CG2-CB 4.34Å; V16-L52 HydrophobicContact CG2-CD2 4.04Å; V16-L55 HydrophobicContact CG2-CD2 4.39Å
17K87.8Confident83.9Confident130 Ų13073.9 Ų73.957%0.56536%0.364SS*.Hα-helixtrans-65.2-35.8-178.9-171.9174.7-177.2175.10113.4T13 V14 V15 T20 K21T13-K17 VanDerWaalsContact O-CB 3.3Å; T13-K17 WeakPolarHBondContact O-CB 3.44Å; T13-K17 PolarHBondContact O-N 3.42Å; V14-K17 PolarHBondContact O-N 3.37Å; V15-K17 PolarHBondContact O-N 2.88Å; K17-T20 WeakPolarHBondContact CA-OG1 3.41Å; K17-T20 PolarHBondContact O-OG1 3.42Å; K17-K21 WeakPolarHBondContact O-CG 3.42Å; K17-K21 PolarHBondContact O-N 3.46Å
18K87.9Confident83.8Confident152 Ų15271 Ų7166%0.66136%0.36SS*.Hα-helixtrans-69.5-44.5175.7-79-173.6176.1-174.40111V14 V15 V16 K21 L22V14-K18 HydrophobicContact CG1-CD 4.35Å; V14-K18 WeakPolarHBondContact O-CB 3.49Å; V14-K18 WeakPolarHBondContact O-CG 3.36Å; V14-K18 PolarHBondContact O-N 3.14Å; V15-K18 PolarHBondContact O-N 3.34Å; V16-K18 PolarHBondContact O-N 3.15Å; K18-K21 PolarHBondContact O-N 3.13Å; K18-L22 PolarHBondContact O-N 3.38Å; K18-L22 VanDerWaalsContact O-N 3.08Å
19Y85.8Confident83.8Confident33 Ų3372.9 Ų72.913%0.12937%0.366CS..Hα-helixtrans-69.4-40.4-177.7-161.8-83.5000112.1V15 V16 K21 L22 V23 V48 L52 M101 P105V15-Y19 WeakPolarHBondContact O-CB 3.27Å; V15-Y19 PolarHBondContact O-N 2.91Å; V16-Y19 PolarHBondContact O-N 3.37Å; Y19-K21 VanDerWaalsContact C-N 3.35Å; Y19-K21 PolarHBondContact O-N 3.42Å; Y19-L22 WeakPolarHBondContact O-CB 3.34Å; Y19-L22 PolarHBondContact O-N 2.91Å; Y19-L22 VanDerWaalsContact O-N 3.17Å; Y19-V23 HydrophobicContact CD1-CG2 3.82Å; Y19-V23 HydrophobicContact CE1-CG2 3.46Å; Y19-V23 VanDerWaalsContact CE1-CG2 3.46Å; Y19-V23 PolarHBondContact O-N 3.25Å; Y19-V48 HydrophobicContact CD1-CG1 3.74Å; Y19-V48 HydrophobicContact CE1-CG1 3.57Å; Y19-V48 HydrophobicContact CE1-CG2 4.22Å; Y19-L52 HydrophobicContact CD1-CD1 4.11Å; Y19-M101 HydrophobicContact CD1-CE 3.51Å; Y19-M101 HydrophobicContact CD2-CE 4.1Å; Y19-M101 HydrophobicContact CE1-CE 3.34Å; Y19-M101 HydrophobicContact CE1-CG 4.36Å; Y19-M101 HydrophobicContact CE2-CB 4.38Å; Y19-M101 HydrophobicContact CE2-CE 3.95Å; Y19-M101 WeakPolarHBondContact CE2-O 3.39Å; Y19-M101 HydrophobicContact CG-CE 3.9Å; Y19-M101 VanDerWaalsContact OH-CA 3.31Å; Y19-M101 WeakPolarHBondContact OH-CA 3.34Å; Y19-M101 PolarHBondContact OH-O 2.9Å; Y19-P105 HydrophobicContact CE2-CG 3.73Å
20T85Confident83.4Confident41 Ų4174.9 Ų74.925%0.25237%0.37SS..Hα-helixtrans-57.1-48.5173.748.50000111.3V16 K17 L22 V23 T24 L52V16-T20 HydrophobicContact CG1-CG2 4.48Å; V16-T20 WeakPolarHBondContact O-CG2 3.42Å; V16-T20 PolarHBondContact O-N 3.2Å; V16-T20 PolarHBondContact O-OG1 3.4Å; V16-T20 VanDerWaalsContact O-OG1 3.1Å; K17-T20 WeakPolarHBondContact CA-OG1 3.41Å; K17-T20 PolarHBondContact O-OG1 3.42Å; T20-L22 VanDerWaalsContact C-N 3.29Å; T20-L22 PolarHBondContact O-N 3.38Å; T20-V23 PolarHBondContact O-N 2.84Å; T20-V23 VanDerWaalsContact O-N 3.16Å; T20-T24 PolarHBondContact O-N 2.59Å; T20-T24 PolarHBondContact O-OG1 3.32Å; T20-L52 HydrophobicContact CG2-CD1 3.47Å; T20-L52 VanDerWaalsContact CG2-CD1 3.47Å
21K86.8Confident82.7Confident136 Ų13669.7 Ų69.759%0.59135%0.354SS*.Hα-helixtrans-57.1-40.9176-76.4-177175.7-165.50113K17 K18 Y19 T24 Y25K17-K21 WeakPolarHBondContact O-CG 3.42Å; K17-K21 PolarHBondContact O-N 3.46Å; K18-K21 PolarHBondContact O-N 3.13Å; Y19-K21 VanDerWaalsContact C-N 3.35Å; Y19-K21 PolarHBondContact O-N 3.42Å; K21-T24 PolarHBondContact O-N 3.1Å; K21-Y25 WeakPolarHBondContact O-CB 3.49Å; K21-Y25 PolarHBondContact O-N 2.96Å
22L85Confident81.9Confident62 Ų6275.2 Ų75.233%0.32538%0.379SS..Hα-helixtrans-63.2-44.5177.9-176.5150.9000111K18 Y19 T20 Y25 L26 P105K18-L22 PolarHBondContact O-N 3.38Å; K18-L22 VanDerWaalsContact O-N 3.08Å; Y19-L22 WeakPolarHBondContact O-CB 3.34Å; Y19-L22 PolarHBondContact O-N 2.91Å; Y19-L22 VanDerWaalsContact O-N 3.17Å; T20-L22 VanDerWaalsContact C-N 3.29Å; T20-L22 PolarHBondContact O-N 3.38Å; L22-Y25 WeakPolarHBondContact O-CB 3.37Å; L22-Y25 PolarHBondContact O-N 2.91Å; L22-L26 HydrophobicContact CD2-CD1 3.48Å; L22-L26 VanDerWaalsContact CD2-CD1 3.48Å; L22-L26 HydrophobicContact CD2-CG 4.13Å; L22-L26 HydrophobicContact CG-CD1 4.49Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 2.96Å; L22-P105 HydrophobicContact CD1-CB 4Å; L22-P105 HydrophobicContact CD1-CG 4.48Å; L22-P105 HydrophobicContact CD2-CB 3.64Å; L22-P105 HydrophobicContact CD2-CG 3.73Å; L22-P105 HydrophobicContact CG-CB 4.47Å
23V82.3Confident81.1Confident5 Ų580.2 Ų80.23%0.0340%0.398CS..Hα-helixtrans-65.4-38.7177.31730000111.5Y19 T20 Y25 L26 E27 Y41 F44 K45 V48Y19-V23 HydrophobicContact CD1-CG2 3.82Å; Y19-V23 HydrophobicContact CE1-CG2 3.46Å; Y19-V23 VanDerWaalsContact CE1-CG2 3.46Å; Y19-V23 PolarHBondContact O-N 3.25Å; T20-V23 PolarHBondContact O-N 2.84Å; T20-V23 VanDerWaalsContact O-N 3.16Å; V23-Y25 VanDerWaalsContact C-N 3.35Å; V23-L26 PolarHBondContact O-N 3.21Å; V23-E27 PolarHBondContact O-N 2.85Å; V23-Y41 HydrophobicContact CG1-CE1 4.5Å; V23-Y41 PolarHBondContact O-OH 3.35Å; V23-F44 HydrophobicContact CG2-CE1 4.41Å; V23-K45 HydrophobicContact CG1-CB 4.04Å; V23-K45 HydrophobicContact CG1-CG 4.06Å; V23-V48 HydrophobicContact CG2-CG1 4.11Å
24T82.3Confident80.1Confident60 Ų6081.5 Ų81.537%0.36840%0.398SS..Hα-helixtrans-66.4-38.5174.8-23.70000112T20 K21 E27 N28T20-T24 PolarHBondContact O-N 2.59Å; T20-T24 PolarHBondContact O-OG1 3.32Å; K21-T24 PolarHBondContact O-N 3.1Å; T24-E27 WeakPolarHBondContact O-CB 3.46Å; T24-E27 PolarHBondContact O-N 2.98Å; T24-N28 PolarHBondContact O-N 3.17Å
25Y83.8Confident79Confident141 Ų14182.8 Ų82.855%0.55342%0.415SS*.Hα-helixtrans-62.1-46.1175.3167.7-98.5000111.8K21 L22 V23 E27 N28 K29K21-Y25 WeakPolarHBondContact O-CB 3.49Å; K21-Y25 PolarHBondContact O-N 2.96Å; L22-Y25 WeakPolarHBondContact O-CB 3.37Å; L22-Y25 PolarHBondContact O-N 2.91Å; V23-Y25 VanDerWaalsContact C-N 3.35Å; Y25-E27 VanDerWaalsContact C-N 3.34Å; Y25-N28 PolarHBondContact O-N 3.39Å; Y25-K29 HydrophobicContact CE1-CD 4.08Å; Y25-K29 WeakPolarHBondContact O-CB 3.49Å; Y25-K29 PolarHBondContact O-N 3.08Å
26L78.7Confident77.9Confident22 Ų2283.3 Ų83.312%0.11542%0.423CS..Hα-helixtrans-63.9-39.9177.3-71.2178.2000111.3L22 V23 N28 K29 W30 Y41L22-L26 HydrophobicContact CD2-CD1 3.48Å; L22-L26 VanDerWaalsContact CD2-CD1 3.48Å; L22-L26 HydrophobicContact CD2-CG 4.13Å; L22-L26 HydrophobicContact CG-CD1 4.49Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 2.96Å; V23-L26 PolarHBondContact O-N 3.21Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 3.38Å; L26-K29 PolarHBondContact O-N 3.16Å; L26-W30 WeakPolarHBondContact O-CB 3.32Å; L26-W30 PolarHBondContact O-N 3.43Å; L26-Y41 HydrophobicContact CB-CE2 4.24Å; L26-Y41 WeakPolarHBondContact CB-OH 3.35Å
27E77.3Confident77Confident24 Ų2484.3 Ų84.311%0.11243%0.432CS..Hα-helixtrans-53.9-52.4176.2-166.7176.5-161.500111.5V23 T24 Y25 K29 W30 A31 F38 Y41 K45V23-E27 PolarHBondContact O-N 2.85Å; T24-E27 WeakPolarHBondContact O-CB 3.46Å; T24-E27 PolarHBondContact O-N 2.98Å; Y25-E27 VanDerWaalsContact C-N 3.34Å; E27-K29 VanDerWaalsContact C-N 3.31Å; E27-K29 PolarHBondContact O-N 3.28Å; E27-W30 PolarHBondContact O-N 3.43Å; E27-A31 WeakPolarHBondContact O-CB 3.45Å; E27-A31 PolarHBondContact O-N 2.94Å; E27-F38 HydrophobicContact CG-CE2 4.49Å; E27-Y41 HydrophobicContact CB-CD1 4Å; E27-Y41 HydrophobicContact CB-CE1 3.29Å; E27-Y41 HydrophobicContact CG-CD1 3.78Å; E27-Y41 HydrophobicContact CG-CE1 3.56Å; E27-Y41 PolarHBondContact N-OH 3.1Å; E27-Y41 VanDerWaalsContact N-OH 3.1Å; E27-K45 VanDerWaalsContact CD-CD 3.42Å; E27-K45 VanDerWaalsContact OE1-CD 3.25Å; E27-K45 WeakPolarHBondContact OE1-CD 3.3Å; E27-K45 IonicContact OE1-NZ 2.81Å; E27-K45 PolarHBondContact OE1-NZ 3.33Å; E27-K45 WeakPolarHBondContact OE2-CD 3.23Å; E27-K45 VanDerWaalsContact OE2-CE 3.3Å; E27-K45 WeakPolarHBondContact OE2-CE 3.42Å; E27-K45 IonicContact OE2-NZ 2.88Å; E27-K45 PolarHBondContact OE2-NZ 3.04Å
28N79.4Confident76.1Confident110 Ų11081.9 Ų81.959%0.58842%0.421SS*.Hα-helixtrans-65.2-37.3-178.3-66.6-11.1000111.5T24 Y25 L26 W30T24-N28 PolarHBondContact O-N 3.17Å; Y25-N28 PolarHBondContact O-N 3.39Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 3.38Å; N28-W30 VanDerWaalsContact C-N 3.3Å; N28-W30 PolarHBondContact O-N 3.4Å
29K77.8Confident75.4Confident98 Ų9880.8 Ų80.843%0.42642%0.418SS..Hα-helixtrans-67.6-30.4178.6-173.8175.3-177173.10113Y25 L26 E27Y25-K29 HydrophobicContact CE1-CD 4.08Å; Y25-K29 WeakPolarHBondContact O-CB 3.49Å; Y25-K29 PolarHBondContact O-N 3.08Å; L26-K29 PolarHBondContact O-N 3.16Å; E27-K29 VanDerWaalsContact C-N 3.31Å; E27-K29 PolarHBondContact O-N 3.28Å
30W70.9Confident74.7Confident76 Ų7681.1 Ų81.129%0.28843%0.425SS..Hα-helixtrans-105-11.4-173-61.6118.3000114L26 E27 N28 D32 K33 I110L26-W30 WeakPolarHBondContact O-CB 3.32Å; L26-W30 PolarHBondContact O-N 3.43Å; E27-W30 PolarHBondContact O-N 3.43Å; N28-W30 VanDerWaalsContact C-N 3.3Å; N28-W30 PolarHBondContact O-N 3.4Å; W30-D32 PolarHBondContact O-N 2.84Å; W30-D32 VanDerWaalsContact O-N 3.16Å; W30-K33 HydrophobicContact CE3-CB 4.26Å; W30-K33 HydrophobicContact CE3-CD 3.83Å; W30-K33 HydrophobicContact CZ3-CD 3.74Å; W30-K33 PolarHBondContact O-N 2.91Å; W30-I110 HydrophobicContact CD2-CD1 3.72Å; W30-I110 HydrophobicContact CE3-CD1 3.39Å; W30-I110 HydrophobicContact CH2-CD1 3.17Å; W30-I110 HydrophobicContact CH2-CG1 4.45Å; W30-I110 HydrophobicContact CZ2-CD1 3.5Å; W30-I110 VanDerWaalsContact CZ2-CD1 3.5Å; W30-I110 HydrophobicContact CZ2-CG1 4.47Å; W30-I110 HydrophobicContact CZ3-CD1 3.1Å
31A70.8Confident74.3Confident38 Ų3880.2 Ų80.231%0.31442%0.418SS..THydrogen-bonded Turntrans-49.9-39.6176.600000112.6E27 F38E27-A31 WeakPolarHBondContact O-CB 3.45Å; E27-A31 PolarHBondContact O-N 2.94Å; A31-F38 HydrophobicContact CB-CD2 4.26Å; A31-F38 HydrophobicContact CB-CE2 3.79Å
32D69.5Low73.9Confident152 Ų15279.4 Ų79.481%0.81341%0.414SS*.THydrogen-bonded Turntrans-91.4-8.2-172.1-55.8-29.6000114.1W30W30-D32 PolarHBondContact O-N 2.84Å; W30-D32 VanDerWaalsContact O-N 3.16Å
33K68.2Low73.8Confident131 Ų13177.9 Ų77.957%0.5741%0.406SS*.THydrogen-bonded Turntrans-96.4-32.7-169.9-73-170176-1690114.9W30W30-K33 HydrophobicContact CE3-CB 4.26Å; W30-K33 HydrophobicContact CE3-CD 3.83Å; W30-K33 HydrophobicContact CZ3-CD 3.74Å; W30-K33 PolarHBondContact O-N 2.91Å
34H63.4Low73.9Confident116 Ų11677.9 Ų77.954%0.53741%0.405SS..  trans-155.2112.8178.2-77.6-61.5000113.4S36 S37 F38H34-S36 PolarHBondContact O-N 3.42Å; H34-S37 WeakPolarHBondContact CB-OG 3.42Å; H34-S37 PolarHBondContact O-N 3.43Å; H34-F38 PolarHBondContact O-N 3.13Å; H34-F38 VanDerWaalsContact O-N 3.13Å
35A65.1Low74Confident94 Ų9478.1 Ų78.178%0.77740%0.402SS*.Hα-helixtrans-62.9-37.7-178.900000114.1F38A35-F38 WeakPolarHBondContact O-CB 3.31Å; A35-F38 PolarHBondContact O-N 3.33Å
36S63.2Low74.1Confident98 Ų9875.4 Ų75.469%0.68540%0.396SS*.Hα-helixtrans-68.7-39.9178.254.60000112.3H34 F38H34-S36 PolarHBondContact O-N 3.42Å; S36-F38 VanDerWaalsContact C-N 3.25Å; S36-F38 PolarHBondContact O-N 3.26Å
37S66.1Low74.6Confident52 Ų5274.3 Ų74.336%0.36439%0.391SS..Hα-helixtrans-69.2-24.3176.5-49.40000112.7H34 H39 S40 Y41H34-S37 WeakPolarHBondContact CB-OG 3.42Å; H34-S37 PolarHBondContact O-N 3.43Å; S37-H39 PolarHBondContact O-N 2.92Å; S37-S40 PolarHBondContact O-N 3.02Å; S37-Y41 WeakPolarHBondContact O-CB 3.19Å; S37-Y41 PolarHBondContact O-N 3.09Å
38F68.8Low75.2Confident78 Ų7873.3 Ų73.334%0.34239%0.386SS..Hα-helixtrans-64.5-37.3-179-169.1-105.1000112.9E27 A31 H34 A35 S36 Y41 K42E27-F38 HydrophobicContact CG-CE2 4.49Å; A31-F38 HydrophobicContact CB-CD2 4.26Å; A31-F38 HydrophobicContact CB-CE2 3.79Å; H34-F38 PolarHBondContact O-N 3.13Å; H34-F38 VanDerWaalsContact O-N 3.13Å; A35-F38 WeakPolarHBondContact O-CB 3.31Å; A35-F38 PolarHBondContact O-N 3.33Å; S36-F38 VanDerWaalsContact C-N 3.25Å; S36-F38 PolarHBondContact O-N 3.26Å; F38-Y41 WeakPolarHBondContact O-CB 3.41Å; F38-Y41 PolarHBondContact O-N 3.13Å; F38-K42 PolarHBondContact O-N 3.43Å
39H72.3Confident75.7Confident129 Ų12973.3 Ų73.360%0.59738%0.383SS*.Hα-helixtrans-62.8-46.2175.3-173.379.3000111.5S37 Y41 K42 L43S37-H39 PolarHBondContact O-N 2.92Å; H39-Y41 PolarHBondContact O-N 3.03Å; H39-K42 PolarHBondContact O-N 3.33Å; H39-L43 PolarHBondContact O-N 2.87Å; H39-L43 VanDerWaalsContact O-N 3.1Å
40S72.5Confident76.2Confident41 Ų4171.1 Ų71.129%0.28738%0.38SS..Hα-helixtrans-61.3-35.7174.4-54.70000111.9S37 F44S37-S40 PolarHBondContact O-N 3.02Å; S40-F44 VanDerWaalsContact O-CB 3.32Å; S40-F44 WeakPolarHBondContact O-CB 3.47Å; S40-F44 PolarHBondContact O-N 3.4Å
41Y75.3Confident77.2Confident22 Ų2267.8 Ų67.89%0.08637%0.367CS..Hα-helixtrans-68.1-43.3176.8-165.6-83000112.5V23 L26 E27 S37 F38 H39 L43 F44 K45V23-Y41 HydrophobicContact CG1-CE1 4.5Å; V23-Y41 PolarHBondContact O-OH 3.35Å; L26-Y41 HydrophobicContact CB-CE2 4.24Å; L26-Y41 WeakPolarHBondContact CB-OH 3.35Å; E27-Y41 HydrophobicContact CB-CD1 4Å; E27-Y41 HydrophobicContact CB-CE1 3.29Å; E27-Y41 HydrophobicContact CG-CD1 3.78Å; E27-Y41 HydrophobicContact CG-CE1 3.56Å; E27-Y41 PolarHBondContact N-OH 3.1Å; E27-Y41 VanDerWaalsContact N-OH 3.1Å; S37-Y41 WeakPolarHBondContact O-CB 3.19Å; S37-Y41 PolarHBondContact O-N 3.09Å; F38-Y41 WeakPolarHBondContact O-CB 3.41Å; F38-Y41 PolarHBondContact O-N 3.13Å; H39-Y41 PolarHBondContact O-N 3.03Å; Y41-L43 VanDerWaalsContact C-N 3.31Å; Y41-L43 PolarHBondContact O-N 3.29Å; Y41-F44 HydrophobicContact CE2-CD1 4.45Å; Y41-F44 WeakPolarHBondContact O-CB 3.37Å; Y41-F44 PolarHBondContact O-N 2.84Å; Y41-F44 VanDerWaalsContact O-N 3.16Å; Y41-K45 HydrophobicContact CE1-CB 4.34Å; Y41-K45 WeakPolarHBondContact O-CB 3.48Å; Y41-K45 PolarHBondContact O-N 3.4Å
42K79.6Confident78.1Confident118 Ų11866.3 Ų66.351%0.51335%0.354SS..Hα-helixtrans-59.7-44.1175.7-174.3176.1-177.9176.50111.1F38 H39 K45 N46F38-K42 PolarHBondContact O-N 3.43Å; H39-K42 PolarHBondContact O-N 3.33Å; K42-K45 PolarHBondContact O-N 3.41Å; K42-N46 VanDerWaalsContact O-CG 3.3Å; K42-N46 PolarHBondContact O-N 3.43Å
43L83.2Confident79.1Confident31 Ų3162.3 Ų62.316%0.16234%0.335CS..Hα-helixtrans-62-43.5174.5-174.162.9000111.5H39 Y41 N46 G47 F117 F128 T130H39-L43 PolarHBondContact O-N 2.87Å; H39-L43 VanDerWaalsContact O-N 3.1Å; Y41-L43 VanDerWaalsContact C-N 3.31Å; Y41-L43 PolarHBondContact O-N 3.29Å; L43-N46 PolarHBondContact O-N 2.89Å; L43-G47 PolarHBondContact O-N 3.26Å; L43-F117 HydrophobicContact CD2-CD1 4.42Å; L43-F117 HydrophobicContact CD2-CE1 3.8Å; L43-F117 HydrophobicContact CG-CE1 4.21Å; L43-F128 WeakPolarHBondContact CD2-O 3.36Å; L43-F128 VanDerWaalsContact CG-O 3.3Å; L43-F128 WeakPolarHBondContact CG-O 3.25Å; L43-T130 HydrophobicContact CD2-CG2 3.77Å
44F83.7Confident80.1Confident4 Ų457.6 Ų57.62%0.01832%0.316CS..Hα-helixtrans-58.9-48.7175179.1-101.8000112.3V23 S40 Y41 N46 G47 V48 V100 A104 F117 F128V23-F44 HydrophobicContact CG2-CE1 4.41Å; S40-F44 VanDerWaalsContact O-CB 3.32Å; S40-F44 WeakPolarHBondContact O-CB 3.47Å; S40-F44 PolarHBondContact O-N 3.4Å; Y41-F44 HydrophobicContact CE2-CD1 4.45Å; Y41-F44 WeakPolarHBondContact O-CB 3.37Å; Y41-F44 PolarHBondContact O-N 2.84Å; Y41-F44 VanDerWaalsContact O-N 3.16Å; F44-N46 PolarHBondContact O-N 3.44Å; F44-G47 PolarHBondContact O-N 3.16Å; F44-V48 HydrophobicContact CD1-CG2 4.12Å; F44-V48 HydrophobicContact CD2-CG2 4.38Å; F44-V48 HydrophobicContact CE1-CG2 3.65Å; F44-V48 HydrophobicContact CE2-CG2 3.92Å; F44-V48 HydrophobicContact CG-CG2 4.47Å; F44-V48 HydrophobicContact CZ-CG2 3.52Å; F44-V48 WeakPolarHBondContact O-CG2 3.4Å; F44-V48 PolarHBondContact O-N 2.96Å; F44-V100 HydrophobicContact CE2-CG1 3.98Å; F44-A104 HydrophobicContact CE1-CB 4.13Å; F44-A104 HydrophobicContact CE2-CB 4.03Å; F44-A104 HydrophobicContact CZ-CB 3.43Å; F44-A104 VanDerWaalsContact CZ-CB 3.43Å; F44-F117 HydrophobicContact CB-CE2 4.36Å; F44-F117 HydrophobicContact CB-CZ 4Å; F44-F128 HydrophobicContact CD2-CD1 4.13Å; F44-F128 AromaticContact CD2-CE1 3.67Å; F44-F128 HydrophobicContact CD2-CE1 3.67Å; F44-F128 AromaticContact CE2-CE1 3.98Å; F44-F128 HydrophobicContact CE2-CE1 3.98Å; F44-F128 HydrophobicContact CG-CE1 4.39Å; F44-F128 WeakPolarHBondContact O-CE1 3.13Å
45K84.4Confident81.4Confident66 Ų6654.2 Ų54.229%0.28730%0.302SS..Hα-helixtrans-58.5-46.6178.1171.4177.9166.4-174.60111.6V23 E27 Y41 K42 V48 H49V23-K45 HydrophobicContact CG1-CB 4.04Å; V23-K45 HydrophobicContact CG1-CG 4.06Å; E27-K45 VanDerWaalsContact CD-CD 3.42Å; E27-K45 VanDerWaalsContact OE1-CD 3.25Å; E27-K45 WeakPolarHBondContact OE1-CD 3.3Å; E27-K45 IonicContact OE1-NZ 2.81Å; E27-K45 PolarHBondContact OE1-NZ 3.33Å; E27-K45 WeakPolarHBondContact OE2-CD 3.23Å; E27-K45 VanDerWaalsContact OE2-CE 3.3Å; E27-K45 WeakPolarHBondContact OE2-CE 3.42Å; E27-K45 IonicContact OE2-NZ 2.88Å; E27-K45 PolarHBondContact OE2-NZ 3.04Å; Y41-K45 HydrophobicContact CE1-CB 4.34Å; Y41-K45 WeakPolarHBondContact O-CB 3.48Å; Y41-K45 PolarHBondContact O-N 3.4Å; K42-K45 PolarHBondContact O-N 3.41Å; K45-V48 PolarHBondContact O-N 2.78Å; K45-H49 WeakPolarHBondContact O-CB 3.46Å; K45-H49 PolarHBondContact O-N 2.8Å
46N86.8Confident82.6Confident83 Ų8350.6 Ų50.644%0.44427%0.274SS..Hα-helixtrans-60.9-46.9177.7-70.8-7.1000110.9K42 L43 F44 V48 H49 S50K42-N46 VanDerWaalsContact O-CG 3.3Å; K42-N46 PolarHBondContact O-N 3.43Å; L43-N46 PolarHBondContact O-N 2.89Å; F44-N46 PolarHBondContact O-N 3.44Å; N46-V48 PolarHBondContact O-N 3.27Å; N46-H49 PolarHBondContact O-N 3.3Å; N46-S50 PolarHBondContact O-N 3.13Å; N46-S50 PolarHBondContact O-OG 2.88Å
47G89.2Confident83.9Confident0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-62.4-41.617800000113.3L43 F44 T51 A127L43-G47 PolarHBondContact O-N 3.26Å; F44-G47 PolarHBondContact O-N 3.16Å; G47-T51 WeakPolarHBondContact O-CB 3.32Å; G47-T51 PolarHBondContact O-N 3.18Å; G47-T51 PolarHBondContact O-OG1 2.91Å; G47-A127 WeakPolarHBondContact CA-O 3.27Å
48V88.6Confident85Confident2 Ų246.9 Ų46.91%0.01224%0.242CC..Hα-helixtrans-60.9-47.4173.5167.20000110.3Y19 V23 F44 K45 N46 S50 T51 L52 M101 F128Y19-V48 HydrophobicContact CD1-CG1 3.74Å; Y19-V48 HydrophobicContact CE1-CG1 3.57Å; Y19-V48 HydrophobicContact CE1-CG2 4.22Å; V23-V48 HydrophobicContact CG2-CG1 4.11Å; F44-V48 HydrophobicContact CD1-CG2 4.12Å; F44-V48 HydrophobicContact CD2-CG2 4.38Å; F44-V48 HydrophobicContact CE1-CG2 3.65Å; F44-V48 HydrophobicContact CE2-CG2 3.92Å; F44-V48 HydrophobicContact CG-CG2 4.47Å; F44-V48 HydrophobicContact CZ-CG2 3.52Å; F44-V48 WeakPolarHBondContact O-CG2 3.4Å; F44-V48 PolarHBondContact O-N 2.96Å; K45-V48 PolarHBondContact O-N 2.78Å; N46-V48 PolarHBondContact O-N 3.27Å; V48-S50 PolarHBondContact O-N 3.46Å; V48-T51 PolarHBondContact O-N 3.47Å; V48-L52 HydrophobicContact CG1-CD1 3.71Å; V48-L52 HydrophobicContact CG1-CG 4.1Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.39Å; V48-L52 PolarHBondContact O-N 2.94Å; V48-M101 HydrophobicContact CG1-CE 4.37Å; V48-F128 HydrophobicContact CG2-CE1 4.01Å; V48-F128 HydrophobicContact CG2-CZ 4.01Å; V48-F128 VanDerWaalsContact N-CZ 3.28Å
49H89.7Confident85.9Confident111 Ų11143.8 Ų43.851%0.51423%0.23SC..Hα-helixtrans-58.5-50-178.1-178.464.7000111.3K45 N46 T51 L52 V53K45-H49 WeakPolarHBondContact O-CB 3.46Å; K45-H49 PolarHBondContact O-N 2.8Å; N46-H49 PolarHBondContact O-N 3.3Å; H49-T51 VanDerWaalsContact C-N 3.33Å; H49-T51 PolarHBondContact O-N 3.39Å; H49-L52 PolarHBondContact O-N 2.59Å; H49-V53 WeakPolarHBondContact O-CG2 3.32Å; H49-V53 PolarHBondContact O-N 3.23Å; H49-V53 VanDerWaalsContact O-N 3.08Å
50S89.9Confident86.7Confident52 Ų5243 Ų4336%0.36423%0.227SC..Hα-helixtrans-58.1-44.2175.3-62.70000112.2N46 V48 L52 V53 D54N46-S50 PolarHBondContact O-N 3.13Å; N46-S50 PolarHBondContact O-OG 2.88Å; V48-S50 PolarHBondContact O-N 3.46Å; S50-L52 VanDerWaalsContact C-N 3.29Å; S50-L52 PolarHBondContact O-N 2.67Å; S50-V53 PolarHBondContact O-N 2.91Å; S50-D54 PolarHBondContact O-N 3.38Å
51T91.1Very high87.4Confident5 Ų541.4 Ų41.43%0.03122%0.215CC..Hα-helixtrans-61.8-37.5178.7-56.50000112.4G47 V48 H49 L55 L94 I97 M101 F128G47-T51 WeakPolarHBondContact O-CB 3.32Å; G47-T51 PolarHBondContact O-N 3.18Å; G47-T51 PolarHBondContact O-OG1 2.91Å; V48-T51 PolarHBondContact O-N 3.47Å; H49-T51 VanDerWaalsContact C-N 3.33Å; H49-T51 PolarHBondContact O-N 3.39Å; T51-L55 WeakPolarHBondContact O-CB 3.5Å; T51-L55 PolarHBondContact O-N 2.84Å; T51-L94 HydrophobicContact CG2-CD2 3.66Å; T51-I97 HydrophobicContact CG2-CD1 3.85Å; T51-I97 HydrophobicContact CG2-CG2 4.29Å; T51-M101 HydrophobicContact CG2-SD 4.18Å; T51-F128 WeakPolarHBondContact OG1-CE2 3.11Å
52L89.3Confident87.8Confident7 Ų746.2 Ų46.24%0.03723%0.233CC..Hα-helixtrans-72.7-34.3179.2-70.8176.4000112.5V16 Y19 T20 V48 H49 S50 L55 G56 M101V16-L52 HydrophobicContact CB-CD2 4.47Å; V16-L52 HydrophobicContact CG1-CB 3.99Å; V16-L52 HydrophobicContact CG1-CD1 4.36Å; V16-L52 HydrophobicContact CG2-CB 4.34Å; V16-L52 HydrophobicContact CG2-CD2 4.04Å; Y19-L52 HydrophobicContact CD1-CD1 4.11Å; T20-L52 HydrophobicContact CG2-CD1 3.47Å; T20-L52 VanDerWaalsContact CG2-CD1 3.47Å; V48-L52 HydrophobicContact CG1-CD1 3.71Å; V48-L52 HydrophobicContact CG1-CG 4.1Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.39Å; V48-L52 PolarHBondContact O-N 2.94Å; H49-L52 PolarHBondContact O-N 2.59Å; S50-L52 VanDerWaalsContact C-N 3.29Å; S50-L52 PolarHBondContact O-N 2.67Å; L52-L55 HydrophobicContact CD2-CD2 4.46Å; L52-G56 PolarHBondContact O-N 3.21Å; L52-G56 VanDerWaalsContact O-N 3.13Å; L52-M101 HydrophobicContact CD2-CE 3.78Å; L52-M101 HydrophobicContact CG-CE 4.35Å
53V90.2Very high88Confident69 Ų6940.7 Ų40.742%0.41821%0.209SC..Hα-helixtrans-62.7-51.6171.1173.10000109.4H49 S50 L55 G56 D57H49-V53 WeakPolarHBondContact O-CG2 3.32Å; H49-V53 PolarHBondContact O-N 3.23Å; H49-V53 VanDerWaalsContact O-N 3.08Å; S50-V53 PolarHBondContact O-N 2.91Å; V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 2.88Å; V53-G56 WeakPolarHBondContact O-CA 3.42Å; V53-G56 PolarHBondContact O-N 3.34Å; V53-D57 PolarHBondContact O-N 3.13Å
54D90.6Very high88Confident32 Ų3241.7 Ų41.717%0.17122%0.215CC..Hα-helixtrans-57.4-40178-74.7-18.4000112.5S50 G56 D57 L58 V90S50-D54 PolarHBondContact O-N 3.38Å; D54-G56 VanDerWaalsContact C-N 3.33Å; D54-G56 PolarHBondContact O-N 2.95Å; D54-D57 PolarHBondContact O-N 3.37Å; D54-L58 WeakPolarHBondContact O-CB 3.47Å; D54-L58 PolarHBondContact O-N 3.1Å; D54-V90 HydrophobicContact CB-CB 4.39Å; D54-V90 HydrophobicContact CB-CG1 3.77Å; D54-V90 HydrophobicContact CB-CG2 3.67Å
55L89.9Confident88.1Confident44 Ų4442.2 Ų42.223%0.2322%0.217CC..Hα-helixtrans-62.9-39.7175.1177.464.2000112.2V12 V16 T51 L52 V53 S59 L94V12-L55 HydrophobicContact CG1-CD2 4.39Å; V12-L55 HydrophobicContact CG1-CG 4.12Å; V16-L55 HydrophobicContact CG2-CD2 4.39Å; T51-L55 WeakPolarHBondContact O-CB 3.5Å; T51-L55 PolarHBondContact O-N 2.84Å; L52-L55 HydrophobicContact CD2-CD2 4.46Å; V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 2.88Å; L55-S59 WeakPolarHBondContact O-CB 3.45Å; L55-S59 PolarHBondContact O-N 2.95Å; L55-L94 HydrophobicContact CB-CD2 4.29Å; L55-L94 HydrophobicContact CD1-CD1 3.6Å; L55-L94 HydrophobicContact CD1-CD2 4.21Å
56G90.1Very high87.9Confident19 Ų1941.5 Ų41.520%0.19622%0.219CC..Hα-helixtrans-61.1-50174.800000111.4L52 V53 D54 L58 S59 Q60L52-G56 PolarHBondContact O-N 3.21Å; L52-G56 VanDerWaalsContact O-N 3.13Å; V53-G56 WeakPolarHBondContact O-CA 3.42Å; V53-G56 PolarHBondContact O-N 3.34Å; D54-G56 VanDerWaalsContact C-N 3.33Å; D54-G56 PolarHBondContact O-N 2.95Å; G56-L58 PolarHBondContact O-N 3.41Å; G56-S59 PolarHBondContact O-N 3.49Å; G56-Q60 WeakPolarHBondContact O-CG 3.33Å; G56-Q60 PolarHBondContact O-N 3.1Å
57D90.1Very high87.7Confident51 Ų5139.3 Ų39.327%0.27321%0.21SC..Hα-helixtrans-59.8-46.6178.1-73.2-1.7000111.4V53 D54 S59 Q60 L61 H82 V86V53-D57 PolarHBondContact O-N 3.13Å; D54-D57 PolarHBondContact O-N 3.37Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 PolarHBondContact O-N 2.93Å; D57-Q60 PolarHBondContact O-N 3.27Å; D57-L61 VanDerWaalsContact O-CB 3.32Å; D57-L61 WeakPolarHBondContact O-CB 3.38Å; D57-L61 PolarHBondContact O-N 2.94Å; D57-H82 IonicContact OD2-CD2 3.16Å; D57-H82 IonicContact OD2-CE1 2.71Å; D57-H82 IonicContact OD2-NE2 2.85Å; D57-H82 PolarHBondContact OD2-NE2 3.46Å; D57-V86 HydrophobicContact CB-CG1 4.23Å; D57-V86 HydrophobicContact CB-CG2 4.17Å
58L89.9Confident87.3Confident21 Ų2145.7 Ų45.711%0.1123%0.234CC..Hα-helixtrans-60.2-44.1176.8179.766000111.3D54 G56 L61 W62 V86 L87 V90 P91 L94D54-L58 WeakPolarHBondContact O-CB 3.47Å; D54-L58 PolarHBondContact O-N 3.1Å; G56-L58 PolarHBondContact O-N 3.41Å; L58-L61 PolarHBondContact O-N 2.97Å; L58-W62 VanDerWaalsContact O-CB 3.28Å; L58-W62 WeakPolarHBondContact O-CB 3.37Å; L58-W62 PolarHBondContact O-N 2.84Å; L58-V86 HydrophobicContact CB-CG1 3.77Å; L58-V86 HydrophobicContact CD1-CG1 4.05Å; L58-L87 HydrophobicContact CD1-CD2 4.21Å; L58-V90 HydrophobicContact CB-CG1 4.05Å; L58-V90 HydrophobicContact CD2-CB 4.45Å; L58-V90 HydrophobicContact CD2-CG1 3.95Å; L58-P91 HydrophobicContact CD1-CG 3.87Å; L58-P91 HydrophobicContact CD2-CB 4.42Å; L58-P91 HydrophobicContact CD2-CG 3.76Å; L58-L94 HydrophobicContact CD2-CD1 3.76Å
59S87.1Confident86.8Confident12 Ų1250.9 Ų50.98%0.08427%0.27CS..Hα-helixtrans-62.3-44.2179.1176.70000111.8L55 G56 D57 M63L55-S59 WeakPolarHBondContact O-CB 3.45Å; L55-S59 PolarHBondContact O-N 2.95Å; G56-S59 PolarHBondContact O-N 3.49Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 PolarHBondContact O-N 2.93Å; S59-M63 WeakPolarHBondContact O-CG 3.48Å; S59-M63 PolarHBondContact O-N 3.21Å; S59-M63 VanDerWaalsContact O-N 3.1Å
60Q88.6Confident86.1Confident112 Ų11250 Ų5052%0.52327%0.266SS..Hα-helixtrans-63.3-47.1178.6-69.7-179.416.100110.9G56 D57 W62 M63 D64G56-Q60 WeakPolarHBondContact O-CG 3.33Å; G56-Q60 PolarHBondContact O-N 3.1Å; D57-Q60 PolarHBondContact O-N 3.27Å; Q60-W62 PolarHBondContact O-N 3.13Å; Q60-M63 WeakPolarHBondContact O-CB 3.25Å; Q60-M63 PolarHBondContact O-N 3.21Å; Q60-D64 PolarHBondContact O-N 3.32Å
61L88.3Confident85.7Confident9 Ų949.8 Ų49.85%0.04727%0.265CS..Hα-helixtrans-63.8-41.6-179.7-175.855.5000112.4D57 L58 M63 D64 I65 L79 Q83 V86 L87D57-L61 VanDerWaalsContact O-CB 3.32Å; D57-L61 WeakPolarHBondContact O-CB 3.38Å; D57-L61 PolarHBondContact O-N 2.94Å; L58-L61 PolarHBondContact O-N 2.97Å; L61-M63 VanDerWaalsContact C-N 3.3Å; L61-M63 PolarHBondContact O-N 2.84Å; L61-D64 PolarHBondContact O-N 3.17Å; L61-I65 HydrophobicContact CD1-CD1 4.41Å; L61-I65 HydrophobicContact CG-CD1 4.18Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.46Å; L61-I65 PolarHBondContact O-N 3.18Å; L61-L79 HydrophobicContact CD1-CD1 4.45Å; L61-L79 HydrophobicContact CD1-CD2 3.96Å; L61-Q83 HydrophobicContact CD1-CB 4.13Å; L61-Q83 HydrophobicContact CD1-CG 4.02Å; L61-Q83 HydrophobicContact CD2-CB 3.7Å; L61-Q83 HydrophobicContact CD2-CG 4.04Å; L61-Q83 VanDerWaalsContact CD2-O 3.3Å; L61-Q83 WeakPolarHBondContact CD2-O 3.46Å; L61-V86 HydrophobicContact CD2-CB 4.39Å; L61-V86 HydrophobicContact CD2-CG1 4.29Å; L61-L87 HydrophobicContact CD2-CD1 3.78Å; L61-L87 HydrophobicContact CD2-CD2 3.93Å; L61-L87 HydrophobicContact CD2-CG 3.44Å; L61-L87 VanDerWaalsContact CD2-CG 3.44Å; L61-L87 HydrophobicContact CG-CD1 4.2Å; L61-L87 HydrophobicContact CG-CD2 4.11Å; L61-L87 HydrophobicContact CG-CG 4.08Å
62W84.4Confident85.1Confident122 Ų12252.8 Ų52.846%0.46228%0.28SS..Hα-helixtrans-65.1-36.6177.2-148.789.2000111.7L58 Q60 T66L58-W62 VanDerWaalsContact O-CB 3.28Å; L58-W62 WeakPolarHBondContact O-CB 3.37Å; L58-W62 PolarHBondContact O-N 2.84Å; Q60-W62 PolarHBondContact O-N 3.13Å; W62-T66 VanDerWaalsContact CZ3-OG1 3.23Å; W62-T66 WeakPolarHBondContact CZ3-OG1 3.24Å; W62-T66 WeakPolarHBondContact O-CB 3.14Å; W62-T66 PolarHBondContact O-N 3.33Å; W62-T66 PolarHBondContact O-OG1 2.88Å
63M82.8Confident84.7Confident3 Ų355.2 Ų55.22%0.01529%0.293CS..Hα-helixtrans-66.1-40.3172.7-69.6-64.894.100112.4F4 K5 L8 T9 S59 Q60 L61 T66 C67F4-M63 HydrophobicContact CD1-SD 4.33Å; F4-M63 HydrophobicContact CE1-CE 4.2Å; F4-M63 HydrophobicContact CE1-SD 4.36Å; K5-M63 HydrophobicContact CB-CB 4.4Å; K5-M63 HydrophobicContact CB-SD 4.25Å; K5-M63 HydrophobicContact CD-CB 4.01Å; K5-M63 HydrophobicContact CG-CB 3.83Å; K5-M63 HydrophobicContact CG-CG 4.18Å; L8-M63 HydrophobicContact CB-SD 3.86Å; L8-M63 HydrophobicContact CD2-CE 3.13Å; L8-M63 HydrophobicContact CD2-CG 4.1Å; L8-M63 HydrophobicContact CD2-SD 3.53Å; L8-M63 VanDerWaalsContact CD2-SD 3.53Å; L8-M63 HydrophobicContact CG-CE 4.4Å; L8-M63 HydrophobicContact CG-SD 4.32Å; T9-M63 HydrophobicContact CG2-CG 4.13Å; S59-M63 WeakPolarHBondContact O-CG 3.48Å; S59-M63 PolarHBondContact O-N 3.21Å; S59-M63 VanDerWaalsContact O-N 3.1Å; Q60-M63 WeakPolarHBondContact O-CB 3.25Å; Q60-M63 PolarHBondContact O-N 3.21Å; L61-M63 VanDerWaalsContact C-N 3.3Å; L61-M63 PolarHBondContact O-N 2.84Å; M63-T66 PolarHBondContact O-N 3.09Å; M63-C67 VanDerWaalsContact O-CB 3.22Å; M63-C67 WeakPolarHBondContact O-CB 3.43Å; M63-C67 PolarHBondContact O-N 3.1Å; M63-C67 PolarHBondContact O-SG 3.17Å; M63-C67 VanDerWaalsContact O-SG 3.36Å
64D84.1Confident84.3Confident52 Ų5257.8 Ų57.828%0.27830%0.3SS..Hα-helixtrans-63.1-43.6176.4-71.8-20.8000111.8K5 Q60 L61 C67 R68K5-D64 WeakPolarHBondContact CE-OD1 3.47Å; K5-D64 IonicContact NZ-OD1 3.41Å; K5-D64 PolarHBondContact NZ-OD1 3Å; Q60-D64 PolarHBondContact O-N 3.32Å; L61-D64 PolarHBondContact O-N 3.17Å; D64-C67 PolarHBondContact O-N 3.08Å; D64-R68 WeakPolarHBondContact O-CG 3.3Å; D64-R68 PolarHBondContact O-N 3.47Å
65I84.5Confident84Confident14 Ų1456.4 Ų56.47%0.07229%0.293CS..Hα-helixtrans-61.3-50.1175.7-67.4164.6000110.5L61 C67 R68 S69 I72 I75 L87L61-I65 HydrophobicContact CD1-CD1 4.41Å; L61-I65 HydrophobicContact CG-CD1 4.18Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.46Å; L61-I65 PolarHBondContact O-N 3.18Å; I65-C67 VanDerWaalsContact C-N 3.27Å; I65-C67 PolarHBondContact O-N 3.29Å; I65-R68 PolarHBondContact O-N 2.86Å; I65-R68 VanDerWaalsContact O-N 3.13Å; I65-S69 PolarHBondContact O-N 2.98Å; I65-I72 HydrophobicContact CG2-CG1 4.3Å; I65-I75 HydrophobicContact CB-CD1 4.16Å; I65-I75 HydrophobicContact CG1-CD1 4.1Å; I65-I75 HydrophobicContact CG1-CG2 4.41Å; I65-I75 HydrophobicContact CG2-CD1 3.82Å; I65-L87 HydrophobicContact CD1-CD1 3.87Å; I65-L87 HydrophobicContact CD1-CD2 3.76Å; I65-L87 HydrophobicContact CD1-CG 4.44Å
66T80.1Confident83.8Confident52 Ų5254.4 Ų54.432%0.31928%0.282SS..Hα-helixtrans-62.4-38-179.9-50.70000111W62 M63 R68 S69W62-T66 VanDerWaalsContact CZ3-OG1 3.23Å; W62-T66 WeakPolarHBondContact CZ3-OG1 3.24Å; W62-T66 WeakPolarHBondContact O-CB 3.14Å; W62-T66 PolarHBondContact O-N 3.33Å; W62-T66 PolarHBondContact O-OG1 2.88Å; M63-T66 PolarHBondContact O-N 3.09Å; T66-R68 VanDerWaalsContact C-N 3.31Å; T66-R68 PolarHBondContact O-N 3.15Å; T66-S69 PolarHBondContact O-N 3.25Å
67C83.5Confident83.6Confident37 Ų3755.7 Ų55.725%0.2529%0.287CS..Hα-helixtrans-68.1-27.9177.4-82.40000113.9M1 M63 D64 I65 S69M1-C67 VanDerWaalsContact CE-CA 3.44Å; M1-C67 HydrophobicContact CE-CB 4.24Å; M1-C67 WeakPolarHBondContact CE-O 3.5Å; M63-C67 VanDerWaalsContact O-CB 3.22Å; M63-C67 WeakPolarHBondContact O-CB 3.43Å; M63-C67 PolarHBondContact O-N 3.1Å; M63-C67 PolarHBondContact O-SG 3.17Å; M63-C67 VanDerWaalsContact O-SG 3.36Å; D64-C67 PolarHBondContact O-N 3.08Å; I65-C67 VanDerWaalsContact C-N 3.27Å; I65-C67 PolarHBondContact O-N 3.29Å; C67-S69 VanDerWaalsContact C-N 3.33Å
68R80.8Confident83.5Confident134 Ų13457.6 Ų57.651%0.50630%0.301SS..Hα-helixtrans-81.6-13.7177.3-72.2177.4-175-165.72.9112.9D64 I65 T66 Q70 I75D64-R68 WeakPolarHBondContact O-CG 3.3Å; D64-R68 PolarHBondContact O-N 3.47Å; I65-R68 PolarHBondContact O-N 2.86Å; I65-R68 VanDerWaalsContact O-N 3.13Å; T66-R68 VanDerWaalsContact C-N 3.31Å; T66-R68 PolarHBondContact O-N 3.15Å; R68-Q70 HydrophobicContact CB-CG 4.48Å; R68-Q70 PolarHBondContact O-N 3.06Å; R68-I75 HydrophobicContact CB-CD1 4.3Å
69S78.3Confident83.6Confident111 Ų11157.3 Ų57.378%0.77630%0.3SS*.THydrogen-bonded Turntrans5223.5-176.656.30000114.6I65 T66 C67I65-S69 PolarHBondContact O-N 2.98Å; T66-S69 PolarHBondContact O-N 3.25Å; C67-S69 VanDerWaalsContact C-N 3.33Å
70Q74.6Confident83.8Confident91 Ų9159.5 Ų59.543%0.42532%0.315SS..  trans-98155.6178.5-74.6170.4-29.300110.4R68 I75R68-Q70 HydrophobicContact CB-CG 4.48Å; R68-Q70 PolarHBondContact O-N 3.06Å; Q70-I75 HydrophobicContact CB-CD1 3.59Å; Q70-I75 HydrophobicContact CB-CG1 3.66Å; Q70-I75 VanDerWaalsContact OE1-CG1 3.29Å
71S80.7Confident83.9Confident49 Ų4955.8 Ų55.834%0.34330%0.296SS..  trans-65.2149.2172.976.30000110.3L73 E74 I75S71-L73 PolarHBondContact O-N 3.41Å; S71-L73 VanDerWaalsContact O-N 3.11Å; S71-E74 PolarHBondContact O-N 3.07Å; S71-E74 VanDerWaalsContact O-N 3.15Å; S71-E74 WeakPolarHBondContact OG-CG 3.38Å; S71-E74 PolarHBondContact OG-N 3.34Å; S71-E74 PolarHBondContact OG-OE1 2.93Å; S71-I75 PolarHBondContact O-N 2.86Å
72I80Confident83.9Confident68 Ų6859.5 Ų59.535%0.34931%0.313SS..Hα-helixtrans-56-32176.7-67.8171.2000110.6I65 I75 L76I65-I72 HydrophobicContact CG2-CG1 4.3Å; I72-I75 PolarHBondContact O-N 3.13Å; I72-L76 WeakPolarHBondContact O-CB 3.27Å; I72-L76 PolarHBondContact O-N 3.12Å
73L80.4Confident84.3Confident58 Ų5856.8 Ų56.830%0.30431%0.305SS..Hα-helixtrans-70.9-37.4-178.4-71.293000112.8S71 P77 W244 Y267S71-L73 PolarHBondContact O-N 3.41Å; S71-L73 VanDerWaalsContact O-N 3.11Å; L73-P77 VanDerWaalsContact O-CD 3.32Å; L73-P77 WeakPolarHBondContact O-CD 3.17Å; L73-W244 HydrophobicContact CD1-CH2 3.39Å; L73-W244 HydrophobicContact CD1-CZ2 3.69Å; L73-Y267 HydrophobicContact CB-CD1 4.5Å; L73-Y267 HydrophobicContact CB-CE1 3.76Å; L73-Y267 HydrophobicContact CD2-CD1 3.97Å; L73-Y267 HydrophobicContact CD2-CE1 3.84Å; L73-Y267 HydrophobicContact CD2-CG 4.39Å; L73-Y267 HydrophobicContact CG-CD1 3.99Å; L73-Y267 HydrophobicContact CG-CE1 3.75Å; L73-Y267 PolarHBondContact O-OH 3.07Å
74E81.7Confident84.8Confident122 Ų12256.6 Ų56.657%0.5730%0.304SS*.Hα-helixtrans-69.4-36176.5-74.3153.9-132.200112.1S71 P77S71-E74 PolarHBondContact O-N 3.07Å; S71-E74 VanDerWaalsContact O-N 3.15Å; S71-E74 WeakPolarHBondContact OG-CG 3.38Å; S71-E74 PolarHBondContact OG-N 3.34Å; S71-E74 PolarHBondContact OG-OE1 2.93Å; E74-P77 WeakPolarHBondContact O-CD 3.46Å
75I84.8Confident85.2Confident3 Ų356 Ų562%0.01530%0.299CS..Hα-helixtrans-76.6-34.2-178.8-67.8163.5000111.4I65 R68 Q70 S71 I72 P77 T78 L79I65-I75 HydrophobicContact CB-CD1 4.16Å; I65-I75 HydrophobicContact CG1-CD1 4.1Å; I65-I75 HydrophobicContact CG1-CG2 4.41Å; I65-I75 HydrophobicContact CG2-CD1 3.82Å; R68-I75 HydrophobicContact CB-CD1 4.3Å; Q70-I75 HydrophobicContact CB-CD1 3.59Å; Q70-I75 HydrophobicContact CB-CG1 3.66Å; Q70-I75 VanDerWaalsContact OE1-CG1 3.29Å; S71-I75 PolarHBondContact O-N 2.86Å; I72-I75 PolarHBondContact O-N 3.13Å; I75-P77 VanDerWaalsContact C-CD 3.43Å; I75-P77 VanDerWaalsContact O-N 3.17Å; I75-T78 WeakPolarHBondContact O-CB 3.41Å; I75-T78 PolarHBondContact O-N 2.84Å; I75-T78 PolarHBondContact O-OG1 3.09Å; I75-L79 HydrophobicContact CG2-CD1 4.14Å; I75-L79 HydrophobicContact CG2-CD2 3.59Å; I75-L79 HydrophobicContact CG2-CG 3.8Å; I75-L79 PolarHBondContact O-N 3.17Å
76L85.6Confident85.5Confident2 Ų255.4 Ų55.41%0.0130%0.296CS..G310 helixtrans-51.1-43.4-169.6-155.869.5000114.7I72 T78 L79 V84 Y267 F268 A271I72-L76 WeakPolarHBondContact O-CB 3.27Å; I72-L76 PolarHBondContact O-N 3.12Å; L76-T78 PolarHBondContact O-N 3.04Å; L76-L79 HydrophobicContact CD1-CD1 4.19Å; L76-L79 PolarHBondContact O-N 2.72Å; L76-V84 HydrophobicContact CD1-CG2 4.33Å; L76-Y267 HydrophobicContact CB-CE1 4.13Å; L76-Y267 HydrophobicContact CD2-CD1 3.37Å; L76-Y267 HydrophobicContact CD2-CE1 3.69Å; L76-Y267 HydrophobicContact CD2-CG 4.32Å; L76-F268 HydrophobicContact CD1-CD1 3.87Å; L76-F268 HydrophobicContact CD1-CE1 3.59Å; L76-F268 HydrophobicContact CD1-CZ 4.46Å; L76-F268 HydrophobicContact CD2-CD1 4.14Å; L76-F268 HydrophobicContact CD2-CE1 4.42Å; L76-A271 HydrophobicContact CD1-CB 4.47Å; L76-A271 HydrophobicContact CD2-CB 3.44Å; L76-A271 VanDerWaalsContact CD2-CB 3.44Å; L76-A271 HydrophobicContact CG-CB 3.5Å; L76-A271 VanDerWaalsContact CG-CB 3.5Å
77P86Confident86Confident46 Ų4653.6 Ų53.630%0.29928%0.284SS..G310 helixtrans-66.5-17.3178.8-20.934.1000114.9L73 E74 I75 K278L73-P77 VanDerWaalsContact O-CD 3.32Å; L73-P77 WeakPolarHBondContact O-CD 3.17Å; E74-P77 WeakPolarHBondContact O-CD 3.46Å; I75-P77 VanDerWaalsContact C-CD 3.43Å; I75-P77 VanDerWaalsContact O-N 3.17Å; P77-K278 PolarHBondContact O-NZ 3.25Å
78T88.3Confident86.3Confident92 Ų9252.6 Ų52.656%0.56428%0.275SS*.G310 helixtrans-92.8-12.2-179.371.80000113.2I75 L76I75-T78 WeakPolarHBondContact O-CB 3.41Å; I75-T78 PolarHBondContact O-N 2.84Å; I75-T78 PolarHBondContact O-OG1 3.09Å; L76-T78 PolarHBondContact O-N 3.04Å
79L90.5Very high86.7Confident15 Ų1548.4 Ų48.48%0.07926%0.261CS..SBendtrans-78.7154.3-177.2-63.6-176.3000111.8L61 I75 L76 Q83 V84 L87 C275L61-L79 HydrophobicContact CD1-CD1 4.45Å; L61-L79 HydrophobicContact CD1-CD2 3.96Å; I75-L79 HydrophobicContact CG2-CD1 4.14Å; I75-L79 HydrophobicContact CG2-CD2 3.59Å; I75-L79 HydrophobicContact CG2-CG 3.8Å; I75-L79 PolarHBondContact O-N 3.17Å; L76-L79 HydrophobicContact CD1-CD1 4.19Å; L76-L79 PolarHBondContact O-N 2.72Å; L79-Q83 HydrophobicContact CB-CB 4Å; L79-Q83 HydrophobicContact CD1-CB 4.41Å; L79-Q83 HydrophobicContact CD2-CB 4.45Å; L79-V84 HydrophobicContact CB-CG2 3.86Å; L79-L87 HydrophobicContact CD1-CD1 3.35Å; L79-C275 PolarHBondContact O-SG 3.01Å; L79-C275 VanDerWaalsContact O-SG 3.37Å
80S91.7Very high87.3Confident58 Ų5843.2 Ų43.241%0.40622%0.224SC..  trans-73.5160.8169.874.70000111.3H82 Q83 V84S80-H82 VanDerWaalsContact C-N 3.3Å; S80-H82 PolarHBondContact O-N 2.98Å; S80-Q83 WeakPolarHBondContact O-CB 3.3Å; S80-Q83 PolarHBondContact O-N 3.02Å; S80-Q83 WeakPolarHBondContact OG-CG 3.47Å; S80-Q83 PolarHBondContact OG-N 3.21Å; S80-Q83 PolarHBondContact OG-OE1 2.91Å; S80-V84 WeakPolarHBondContact O-CG2 3.24Å; S80-V84 PolarHBondContact O-N 3.33Å
81R90Very high87.9Confident34 Ų3439.3 Ų39.313%0.12821%0.207CC..Hα-helixtrans-51.5-47.5176.7-173174.263.6110.69.1112.6Q83 V84 Y85 C275 D279 E294R81-Q83 PolarHBondContact O-N 3.2Å; R81-V84 PolarHBondContact O-N 2.9Å; R81-Y85 PolarHBondContact O-N 3.29Å; R81-C275 HydrophobicContact CB-CB 3.85Å; R81-C275 HydrophobicContact CG-CB 4.32Å; R81-D279 IonicContact NE-OD2 2.89Å; R81-E294 IonicContact CZ-OE1 2.84Å; R81-E294 VanDerWaalsContact CZ-OE1 3.23Å; R81-E294 IonicContact CZ-OE2 2.65Å; R81-E294 IonicContact NH1-OE1 3.11Å; R81-E294 PolarHBondContact NH1-OE1 3.37Å; R81-E294 IonicContact NH1-OE2 3.23Å; R81-E294 PolarHBondContact NH1-OE2 3.25Å; R81-E294 IonicContact NH2-OE1 2.71Å; R81-E294 PolarHBondContact NH2-OE1 2.9Å; R81-E294 IonicContact NH2-OE2 2.73Å; R81-E294 PolarHBondContact NH2-OE2 2.9Å; R81-E294 VanDerWaalsContact NH2-OE2 3.14Å
82H90Very high88Confident86 Ų8639.5 Ų39.540%0.39820%0.202SC..Hα-helixtrans-62-43.2178.1-176.235.3000111.5D57 S80 V84 Y85 V86D57-H82 IonicContact OD2-CD2 3.16Å; D57-H82 IonicContact OD2-CE1 2.71Å; D57-H82 IonicContact OD2-NE2 2.85Å; D57-H82 PolarHBondContact OD2-NE2 3.46Å; S80-H82 VanDerWaalsContact C-N 3.3Å; S80-H82 PolarHBondContact O-N 2.98Å; H82-V84 PolarHBondContact O-N 3.41Å; H82-Y85 WeakPolarHBondContact O-CB 3.49Å; H82-Y85 PolarHBondContact O-N 3.23Å; H82-V86 WeakPolarHBondContact CE1-CG2 3.42Å; H82-V86 VanDerWaalsContact O-CG2 3.3Å; H82-V86 WeakPolarHBondContact O-CG2 3.46Å; H82-V86 PolarHBondContact O-N 3.08Å
83Q92.2Very high88.4Confident65 Ų6536.8 Ų36.830%0.30419%0.188SC..Hα-helixtrans-63.1-40.3177.4-72.3173.3-24.800112.6L61 L79 S80 R81 V86 L87L61-Q83 HydrophobicContact CD1-CB 4.13Å; L61-Q83 HydrophobicContact CD1-CG 4.02Å; L61-Q83 HydrophobicContact CD2-CB 3.7Å; L61-Q83 HydrophobicContact CD2-CG 4.04Å; L61-Q83 VanDerWaalsContact CD2-O 3.3Å; L61-Q83 WeakPolarHBondContact CD2-O 3.46Å; L79-Q83 HydrophobicContact CB-CB 4Å; L79-Q83 HydrophobicContact CD1-CB 4.41Å; L79-Q83 HydrophobicContact CD2-CB 4.45Å; S80-Q83 WeakPolarHBondContact O-CB 3.3Å; S80-Q83 PolarHBondContact O-N 3.02Å; S80-Q83 WeakPolarHBondContact OG-CG 3.47Å; S80-Q83 PolarHBondContact OG-N 3.21Å; S80-Q83 PolarHBondContact OG-OE1 2.91Å; R81-Q83 PolarHBondContact O-N 3.2Å; Q83-V86 PolarHBondContact O-N 3.34Å; Q83-L87 PolarHBondContact O-N 2.97Å
84V92.5Very high88.8Confident0 Ų035.7 Ų35.70%018%0.182CC..Hα-helixtrans-62.5-44.4174.5176.90000110.7L76 L79 S80 R81 H82 L87 R88 F268 A271 E272L76-V84 HydrophobicContact CD1-CG2 4.33Å; L79-V84 HydrophobicContact CB-CG2 3.86Å; S80-V84 WeakPolarHBondContact O-CG2 3.24Å; S80-V84 PolarHBondContact O-N 3.33Å; R81-V84 PolarHBondContact O-N 2.9Å; H82-V84 PolarHBondContact O-N 3.41Å; V84-L87 PolarHBondContact O-N 2.91Å; V84-R88 WeakPolarHBondContact O-CB 3.17Å; V84-R88 PolarHBondContact O-N 2.94Å; V84-R88 VanDerWaalsContact O-N 3.08Å; V84-F268 HydrophobicContact CG1-CD1 4.17Å; V84-A271 HydrophobicContact CG1-CB 4.2Å; V84-A271 HydrophobicContact CG2-CB 4.42Å; V84-E272 HydrophobicContact CG1-CB 4.05Å
85Y92.2Very high88.9Confident39 Ų3934.8 Ų34.815%0.15318%0.179CC..Hα-helixtrans-57.8-50.5173.8168.4-92.5000111.4R81 H82 L87 R88 Q89R81-Y85 PolarHBondContact O-N 3.29Å; H82-Y85 WeakPolarHBondContact O-CB 3.49Å; H82-Y85 PolarHBondContact O-N 3.23Å; Y85-L87 PolarHBondContact O-N 2.86Å; Y85-R88 PolarHBondContact O-N 3.03Å; Y85-R88 VanDerWaalsContact O-N 3.13Å; Y85-Q89 HydrophobicContact CD2-CB 4.14Å; Y85-Q89 HydrophobicContact CE1-CB 4.39Å; Y85-Q89 HydrophobicContact CE2-CB 3.81Å; Y85-Q89 HydrophobicContact CE2-CG 3.78Å; Y85-Q89 VanDerWaalsContact O-CB 3.28Å; Y85-Q89 WeakPolarHBondContact O-CB 3.42Å; Y85-Q89 PolarHBondContact O-N 3.13Å
86V91.9Very high88.9Confident2 Ų238.7 Ų38.71%0.01220%0.196CC..Hα-helixtrans-57-48.6-178.9168.60000110.8D57 L58 L61 H82 Q83 R88 V90 P91D57-V86 HydrophobicContact CB-CG1 4.23Å; D57-V86 HydrophobicContact CB-CG2 4.17Å; L58-V86 HydrophobicContact CB-CG1 3.77Å; L58-V86 HydrophobicContact CD1-CG1 4.05Å; L61-V86 HydrophobicContact CD2-CB 4.39Å; L61-V86 HydrophobicContact CD2-CG1 4.29Å; H82-V86 WeakPolarHBondContact CE1-CG2 3.42Å; H82-V86 VanDerWaalsContact O-CG2 3.3Å; H82-V86 WeakPolarHBondContact O-CG2 3.46Å; H82-V86 PolarHBondContact O-N 3.08Å; Q83-V86 PolarHBondContact O-N 3.34Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 3.2Å; V86-V90 HydrophobicContact CB-CG2 4.27Å; V86-V90 HydrophobicContact CG1-CB 4.35Å; V86-V90 HydrophobicContact CG1-CG2 4.08Å; V86-V90 HydrophobicContact CG2-CG2 4.29Å; V86-V90 VanDerWaalsContact O-CB 3.3Å; V86-V90 WeakPolarHBondContact O-CB 3.48Å; V86-V90 PolarHBondContact O-N 2.69Å; V86-V90 VanDerWaalsContact O-N 3.1Å; V86-P91 WeakPolarHBondContact O-CD 3.15Å
87L89.9Confident89Confident13 Ų1338.6 Ų38.67%0.06820%0.196CC..Hα-helixtrans-63.5-36.3178.3-74167.5000113.6L58 L61 I65 L79 Q83 V84 Y85 F268L58-L87 HydrophobicContact CD1-CD2 4.21Å; L61-L87 HydrophobicContact CD2-CD1 3.78Å; L61-L87 HydrophobicContact CD2-CD2 3.93Å; L61-L87 HydrophobicContact CD2-CG 3.44Å; L61-L87 VanDerWaalsContact CD2-CG 3.44Å; L61-L87 HydrophobicContact CG-CD1 4.2Å; L61-L87 HydrophobicContact CG-CD2 4.11Å; L61-L87 HydrophobicContact CG-CG 4.08Å; I65-L87 HydrophobicContact CD1-CD1 3.87Å; I65-L87 HydrophobicContact CD1-CD2 3.76Å; I65-L87 HydrophobicContact CD1-CG 4.44Å; L79-L87 HydrophobicContact CD1-CD1 3.35Å; Q83-L87 PolarHBondContact O-N 2.97Å; V84-L87 PolarHBondContact O-N 2.91Å; Y85-L87 PolarHBondContact O-N 2.86Å; L87-F268 HydrophobicContact CB-CE1 3.84Å; L87-F268 HydrophobicContact CB-CZ 4.28Å
88R89.8Confident89Confident17 Ų1740.7 Ų40.76%0.06420%0.204CC..Hα-helixtrans-77-43.3-177.2179.6178.85164.6-4.1111.9V84 Y85 V86 K92 F268 E272V84-R88 WeakPolarHBondContact O-CB 3.17Å; V84-R88 PolarHBondContact O-N 2.94Å; V84-R88 VanDerWaalsContact O-N 3.08Å; Y85-R88 PolarHBondContact O-N 3.03Å; Y85-R88 VanDerWaalsContact O-N 3.13Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 3.2Å; R88-K92 WeakPolarHBondContact O-CE 3.49Å; R88-F268 HydrophobicContact CB-CB 4.48Å; R88-F268 HydrophobicContact CB-CD1 3.91Å; R88-F268 HydrophobicContact CB-CE1 4.31Å; R88-F268 HydrophobicContact CB-CG 4.16Å; R88-F268 HydrophobicContact CG-CB 4.25Å; R88-F268 HydrophobicContact CG-CG 4.28Å; R88-E272 IonicContact CZ-OE1 3.79Å; R88-E272 IonicContact CZ-OE2 3.58Å; R88-E272 VanDerWaalsContact CZ-OE2 3.25Å; R88-E272 IonicContact NE-OE2 3.05Å; R88-E272 PolarHBondContact NE-OE2 3.18Å; R88-E272 IonicContact NH2-OE1 3.26Å; R88-E272 PolarHBondContact NH2-OE1 2.56Å; R88-E272 IonicContact NH2-OE2 2.98Å; R88-E272 PolarHBondContact NH2-OE2 2.99Å
89Q89.8Confident88.9Confident45 Ų4539 Ų3921%0.2120%0.195CC..Hα-helixtrans-103.3-49.4-162.8-172.159.431.400112.7Y85 K92 D93Y85-Q89 HydrophobicContact CD2-CB 4.14Å; Y85-Q89 HydrophobicContact CE1-CB 4.39Å; Y85-Q89 HydrophobicContact CE2-CB 3.81Å; Y85-Q89 HydrophobicContact CE2-CG 3.78Å; Y85-Q89 VanDerWaalsContact O-CB 3.28Å; Y85-Q89 WeakPolarHBondContact O-CB 3.42Å; Y85-Q89 PolarHBondContact O-N 3.13Å; Q89-K92 WeakPolarHBondContact O-CB 3.27Å; Q89-K92 PolarHBondContact O-N 3.17Å; Q89-D93 WeakPolarHBondContact CG-OD2 3.21Å; Q89-D93 PolarHBondContact NE2-OD1 3Å; Q89-D93 PolarHBondContact NE2-OD2 2.95Å; Q89-D93 PolarHBondContact O-N 3.2Å; Q89-D93 VanDerWaalsContact O-N 3.09Å
90V89.9Confident88.7Confident2 Ų238.4 Ų38.41%0.01219%0.191CC..Hα-helixtrans-59.6-44.2-170.5175.70000113D54 L58 V86 K92 D93 L94D54-V90 HydrophobicContact CB-CB 4.39Å; D54-V90 HydrophobicContact CB-CG1 3.77Å; D54-V90 HydrophobicContact CB-CG2 3.67Å; L58-V90 HydrophobicContact CB-CG1 4.05Å; L58-V90 HydrophobicContact CD2-CB 4.45Å; L58-V90 HydrophobicContact CD2-CG1 3.95Å; V86-V90 HydrophobicContact CB-CG2 4.27Å; V86-V90 HydrophobicContact CG1-CB 4.35Å; V86-V90 HydrophobicContact CG1-CG2 4.08Å; V86-V90 HydrophobicContact CG2-CG2 4.29Å; V86-V90 VanDerWaalsContact O-CB 3.3Å; V86-V90 WeakPolarHBondContact O-CB 3.48Å; V86-V90 PolarHBondContact O-N 2.69Å; V86-V90 VanDerWaalsContact O-N 3.1Å; V90-K92 VanDerWaalsContact C-N 3.25Å; V90-K92 PolarHBondContact O-N 3.43Å; V90-D93 PolarHBondContact O-N 3.27Å; V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 3.98Å; V90-L94 WeakPolarHBondContact O-CB 3.3Å; V90-L94 VanDerWaalsContact O-CG 3.31Å; V90-L94 WeakPolarHBondContact O-CG 3.29Å; V90-L94 PolarHBondContact O-N 3.12Å
91P87.5Confident88.4Confident10 Ų1036.6 Ų36.67%0.06518%0.177CC..Hα-helixtrans-59.3-36.1176.9-23.630.9000113.8L58 V86 M95 W237L58-P91 HydrophobicContact CD1-CG 3.87Å; L58-P91 HydrophobicContact CD2-CB 4.42Å; L58-P91 HydrophobicContact CD2-CG 3.76Å; V86-P91 WeakPolarHBondContact O-CD 3.15Å; P91-M95 WeakPolarHBondContact O-CG 3.44Å; P91-M95 PolarHBondContact O-N 3.42Å; P91-W237 HydrophobicContact CB-CD2 4.18Å; P91-W237 HydrophobicContact CB-CH2 3.73Å; P91-W237 HydrophobicContact CB-CZ2 3.08Å; P91-W237 HydrophobicContact CB-CZ3 4.46Å; P91-W237 HydrophobicContact CG-CH2 3.9Å; P91-W237 HydrophobicContact CG-CZ2 3.6Å
92K84.4Confident88.2Confident52 Ų5240.4 Ų40.423%0.22620%0.199CC..Hα-helixtrans-69.7-39.8178.7-61.1-179.8-177.8179.70111R88 Q89 V90 K96R88-K92 WeakPolarHBondContact O-CE 3.49Å; Q89-K92 WeakPolarHBondContact O-CB 3.27Å; Q89-K92 PolarHBondContact O-N 3.17Å; V90-K92 VanDerWaalsContact C-N 3.25Å; V90-K92 PolarHBondContact O-N 3.43Å; K92-K96 WeakPolarHBondContact O-CG 3.45Å; K92-K96 PolarHBondContact O-N 3.11Å
93D88.3Confident88Confident12 Ų1239.5 Ų39.56%0.06420%0.197CC..Hα-helixtrans-70.7-41.3179-72.9-16.6000111Q89 V90 M95 K96 I97Q89-D93 WeakPolarHBondContact CG-OD2 3.21Å; Q89-D93 PolarHBondContact NE2-OD1 3Å; Q89-D93 PolarHBondContact NE2-OD2 2.95Å; Q89-D93 PolarHBondContact O-N 3.2Å; Q89-D93 VanDerWaalsContact O-N 3.09Å; V90-D93 PolarHBondContact O-N 3.27Å; D93-M95 VanDerWaalsContact C-N 3.34Å; D93-M95 PolarHBondContact O-N 3.36Å; D93-K96 PolarHBondContact O-N 3.48Å; D93-K96 VanDerWaalsContact O-N 3.13Å; D93-I97 HydrophobicContact CB-CD1 4.28Å; D93-I97 WeakPolarHBondContact O-CB 3.29Å; D93-I97 WeakPolarHBondContact O-CD1 3.43Å; D93-I97 VanDerWaalsContact O-CG1 3.24Å; D93-I97 WeakPolarHBondContact O-CG1 3.35Å; D93-I97 PolarHBondContact O-N 2.93Å
94L87.1Confident87.4Confident35 Ų3536.8 Ų36.818%0.18319%0.185CC..Hα-helixtrans-57.8-43.7174.3-74.6171.3000112.2T51 L55 L58 V90 K96 I97 L98T51-L94 HydrophobicContact CG2-CD2 3.66Å; L55-L94 HydrophobicContact CB-CD2 4.29Å; L55-L94 HydrophobicContact CD1-CD1 3.6Å; L55-L94 HydrophobicContact CD1-CD2 4.21Å; L58-L94 HydrophobicContact CD2-CD1 3.76Å; V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 3.98Å; V90-L94 WeakPolarHBondContact O-CB 3.3Å; V90-L94 VanDerWaalsContact O-CG 3.31Å; V90-L94 WeakPolarHBondContact O-CG 3.29Å; V90-L94 PolarHBondContact O-N 3.12Å; L94-K96 VanDerWaalsContact C-N 3.26Å; L94-K96 PolarHBondContact O-N 3.15Å; L94-I97 PolarHBondContact O-N 3.39Å; L94-L98 WeakPolarHBondContact O-CA 3.44Å; L94-L98 WeakPolarHBondContact O-CB 3.29Å; L94-L98 PolarHBondContact O-N 3.01Å
95M83.8Confident86.7Confident102 Ų10238.3 Ų38.350%0.50220%0.196SC..Hα-helixtrans-61.6-34.3178-72.5-60.5-66.800113.2P91 D93 P99 W237P91-M95 WeakPolarHBondContact O-CG 3.44Å; P91-M95 PolarHBondContact O-N 3.42Å; D93-M95 VanDerWaalsContact C-N 3.34Å; D93-M95 PolarHBondContact O-N 3.36Å; M95-P99 WeakPolarHBondContact O-CD 3.47Å; M95-W237 HydrophobicContact CG-CG 4.41Å
96K84.9Confident86.1Confident85 Ų8540.9 Ų40.937%0.3721%0.212SC..Hα-helixtrans-74.3-41.5177.3-66.5175.3-177.4178.10111.8K92 D93 L94 P99 F123K92-K96 WeakPolarHBondContact O-CG 3.45Å; K92-K96 PolarHBondContact O-N 3.11Å; D93-K96 PolarHBondContact O-N 3.48Å; D93-K96 VanDerWaalsContact O-N 3.13Å; L94-K96 VanDerWaalsContact C-N 3.26Å; L94-K96 PolarHBondContact O-N 3.15Å; K96-P99 WeakPolarHBondContact O-CD 3.12Å; K96-F123 CarbonylContact C-O 3.56Å; K96-F123 VanDerWaalsContact O-O 3.04Å
97I88Confident85.1Confident0 Ų046.9 Ų46.90%025%0.251CS..Hα-helixtrans-81.8-28.1-174.2-63.8159.4000112.2T51 D93 L94 V100 M101 S125 F128T51-I97 HydrophobicContact CG2-CD1 3.85Å; T51-I97 HydrophobicContact CG2-CG2 4.29Å; D93-I97 HydrophobicContact CB-CD1 4.28Å; D93-I97 WeakPolarHBondContact O-CB 3.29Å; D93-I97 WeakPolarHBondContact O-CD1 3.43Å; D93-I97 VanDerWaalsContact O-CG1 3.24Å; D93-I97 WeakPolarHBondContact O-CG1 3.35Å; D93-I97 PolarHBondContact O-N 2.93Å; L94-I97 PolarHBondContact O-N 3.39Å; I97-V100 CarbonylContact O-C 3.55Å; I97-V100 WeakPolarHBondContact O-CA 3.39Å; I97-V100 WeakPolarHBondContact O-CB 3.17Å; I97-V100 PolarHBondContact O-N 2.75Å; I97-M101 HydrophobicContact CG2-CG 3.64Å; I97-M101 HydrophobicContact CG2-SD 3.8Å; I97-M101 PolarHBondContact O-N 3.47Å; I97-S125 VanDerWaalsContact CD1-OG 3.29Å; I97-S125 WeakPolarHBondContact CD1-OG 3.46Å; I97-F128 HydrophobicContact CD1-CD2 4.36Å; I97-F128 HydrophobicContact CD1-CE2 3.75Å; I97-F128 HydrophobicContact CG1-CD2 4.48Å; I97-F128 HydrophobicContact CG1-CE2 3.97Å; I97-F128 HydrophobicContact CG2-CE2 4.03Å; I97-F128 HydrophobicContact CG2-CZ 4.09Å
98L86.3Confident84.2Confident91 Ų9149.1 Ų49.148%0.47628%0.276SS..Hα-helixtrans-53.9-45.6-173.6-177.369.7000112.8L94 V100 M101 L102L94-L98 WeakPolarHBondContact O-CA 3.44Å; L94-L98 WeakPolarHBondContact O-CB 3.29Å; L94-L98 PolarHBondContact O-N 3.01Å; L98-V100 VanDerWaalsContact C-N 3.31Å; L98-V100 PolarHBondContact O-N 3.37Å; L98-M101 PolarHBondContact O-N 3.35Å; L98-L102 HydrophobicContact CD1-CD1 4.3Å; L98-L102 HydrophobicContact CD1-CG 4.28Å; L98-L102 HydrophobicContact CG-CD1 4.02Å; L98-L102 HydrophobicContact CG-CG 4.41Å; L98-L102 VanDerWaalsContact O-CG 3.3Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 2.63Å
99P85.4Confident83.5Confident57 Ų5749 Ų4937%0.3728%0.278SS..Hα-helixtrans-58-42.2173.6-2434.6000112.8M95 K96 L102 L103M95-P99 WeakPolarHBondContact O-CD 3.47Å; K96-P99 WeakPolarHBondContact O-CD 3.12Å; P99-L102 PolarHBondContact O-N 3.13Å; P99-L103 WeakPolarHBondContact O-CB 3.3Å; P99-L103 WeakPolarHBondContact O-CG 3.31Å; P99-L103 PolarHBondContact O-N 3.24Å
100V86.8Confident82.6Confident1 Ų150.3 Ų50.31%0.00629%0.285CS..Hα-helixtrans-65.1-42.5178.3-1780000110.9F44 I97 L98 L103 A104 F116 F123 L124F44-V100 HydrophobicContact CE2-CG1 3.98Å; I97-V100 CarbonylContact O-C 3.55Å; I97-V100 WeakPolarHBondContact O-CA 3.39Å; I97-V100 WeakPolarHBondContact O-CB 3.17Å; I97-V100 PolarHBondContact O-N 2.75Å; L98-V100 VanDerWaalsContact C-N 3.31Å; L98-V100 PolarHBondContact O-N 3.37Å; V100-L103 PolarHBondContact O-N 3.42Å; V100-A104 WeakPolarHBondContact O-CB 3.09Å; V100-A104 PolarHBondContact O-N 3.13Å; V100-F116 HydrophobicContact CB-CD2 4.37Å; V100-F116 HydrophobicContact CB-CE2 4.41Å; V100-F116 HydrophobicContact CG1-CD2 3.69Å; V100-F116 HydrophobicContact CG1-CE2 4.02Å; V100-F116 HydrophobicContact CG1-CG 4.21Å; V100-F116 HydrophobicContact CG2-CB 4.47Å; V100-F116 HydrophobicContact CG2-CD1 4.02Å; V100-F116 HydrophobicContact CG2-CD2 4.12Å; V100-F116 HydrophobicContact CG2-CE1 4.23Å; V100-F116 HydrophobicContact CG2-CE2 4.32Å; V100-F116 HydrophobicContact CG2-CG 3.96Å; V100-F116 HydrophobicContact CG2-CZ 4.37Å; V100-F123 HydrophobicContact CG2-CB 3.73Å; V100-F123 WeakPolarHBondContact CG2-O 3.41Å; V100-L124 HydrophobicContact CG1-CD2 4.23Å; V100-L124 HydrophobicContact CG2-CD2 4.32Å
101M86Confident81.7Confident20 Ų2057.4 Ų57.410%0.09932%0.322CS..Hα-helixtrans-69.2-31.8178.2-82.9-174.774.900113.3Y19 V48 T51 L52 I97 L98 P105Y19-M101 HydrophobicContact CD1-CE 3.51Å; Y19-M101 HydrophobicContact CD2-CE 4.1Å; Y19-M101 HydrophobicContact CE1-CE 3.34Å; Y19-M101 HydrophobicContact CE1-CG 4.36Å; Y19-M101 HydrophobicContact CE2-CB 4.38Å; Y19-M101 HydrophobicContact CE2-CE 3.95Å; Y19-M101 WeakPolarHBondContact CE2-O 3.39Å; Y19-M101 HydrophobicContact CG-CE 3.9Å; Y19-M101 VanDerWaalsContact OH-CA 3.31Å; Y19-M101 WeakPolarHBondContact OH-CA 3.34Å; Y19-M101 PolarHBondContact OH-O 2.9Å; V48-M101 HydrophobicContact CG1-CE 4.37Å; T51-M101 HydrophobicContact CG2-SD 4.18Å; L52-M101 HydrophobicContact CD2-CE 3.78Å; L52-M101 HydrophobicContact CG-CE 4.35Å; I97-M101 HydrophobicContact CG2-CG 3.64Å; I97-M101 HydrophobicContact CG2-SD 3.8Å; I97-M101 PolarHBondContact O-N 3.47Å; L98-M101 PolarHBondContact O-N 3.35Å; M101-P105 WeakPolarHBondContact O-CD 3.34Å; M101-P105 WeakPolarHBondContact O-CG 3.43Å
102L86.1Confident81.4Confident114 Ų11460 Ų6060%0.59734%0.335SS*.Hα-helixtrans-73.7-36.4174.9-69.5172.9000111.4L98 P99L98-L102 HydrophobicContact CD1-CD1 4.3Å; L98-L102 HydrophobicContact CD1-CG 4.28Å; L98-L102 HydrophobicContact CG-CD1 4.02Å; L98-L102 HydrophobicContact CG-CG 4.41Å; L98-L102 VanDerWaalsContact O-CG 3.3Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 2.63Å; P99-L102 PolarHBondContact O-N 3.13Å
103L84.6Confident81Confident67 Ų6758.8 Ų58.835%0.35133%0.331SS..Hα-helixtrans-81.4-46.9-177.1-67.4172.1000112P99 V100 P105 L106 T109 F116P99-L103 WeakPolarHBondContact O-CB 3.3Å; P99-L103 WeakPolarHBondContact O-CG 3.31Å; P99-L103 PolarHBondContact O-N 3.24Å; V100-L103 PolarHBondContact O-N 3.42Å; L103-P105 VanDerWaalsContact C-N 3.3Å; L103-L106 HydrophobicContact CD2-CD1 4.06Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 WeakPolarHBondContact O-CG 3.46Å; L103-L106 PolarHBondContact O-N 3.33Å; L103-T109 WeakPolarHBondContact O-CG2 3.36Å; L103-F116 HydrophobicContact CB-CE2 4.42Å; L103-F116 HydrophobicContact CB-CZ 4.29Å; L103-F116 HydrophobicContact CD1-CZ 3.79Å
104A80.6Confident80.6Confident8 Ų862.1 Ų62.17%0.06635%0.353CS..THydrogen-bonded Turntrans-49.8-38.5-172.100000115.5F44 V100 L106 T109 L113F44-A104 HydrophobicContact CE1-CB 4.13Å; F44-A104 HydrophobicContact CE2-CB 4.03Å; F44-A104 HydrophobicContact CZ-CB 3.43Å; F44-A104 VanDerWaalsContact CZ-CB 3.43Å; V100-A104 WeakPolarHBondContact O-CB 3.09Å; V100-A104 PolarHBondContact O-N 3.13Å; A104-L106 VanDerWaalsContact C-N 3.27Å; A104-L106 PolarHBondContact O-N 3.05Å; A104-T109 PolarHBondContact O-OG1 3.14Å; A104-L113 HydrophobicContact CB-CD1 4.41Å
105P76.9Confident80.4Confident33 Ų3364.6 Ų64.621%0.21437%0.366CS..THydrogen-bonded Turntrans-63.8-21.5175.9-28.339000116.6Y19 L22 M101 L103Y19-P105 HydrophobicContact CE2-CG 3.73Å; L22-P105 HydrophobicContact CD1-CB 4Å; L22-P105 HydrophobicContact CD1-CG 4.48Å; L22-P105 HydrophobicContact CD2-CB 3.64Å; L22-P105 HydrophobicContact CD2-CG 3.73Å; L22-P105 HydrophobicContact CG-CB 4.47Å; M101-P105 WeakPolarHBondContact O-CD 3.34Å; M101-P105 WeakPolarHBondContact O-CG 3.43Å; L103-P105 VanDerWaalsContact C-N 3.3Å
106L80.8Confident80.5Confident93 Ų9360.2 Ų60.249%0.48734%0.344SS..SBendtrans-73.3145.2-170.9-58.9173.4000111.6L103 A104 G108 T109L103-L106 HydrophobicContact CD2-CD1 4.06Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 WeakPolarHBondContact O-CG 3.46Å; L103-L106 PolarHBondContact O-N 3.33Å; A104-L106 VanDerWaalsContact C-N 3.27Å; A104-L106 PolarHBondContact O-N 3.05Å; L106-G108 PolarHBondContact O-N 3.33Å; L106-T109 HydrophobicContact CB-CG2 3.81Å; L106-T109 VanDerWaalsContact O-CG2 3.29Å; L106-T109 WeakPolarHBondContact O-CG2 3.45Å; L106-T109 PolarHBondContact O-N 3.16Å; L106-T109 PolarHBondContact O-OG1 3.26Å
107P70.6Confident80.4Confident128 Ų12857.5 Ų57.583%0.83133%0.332SS*.THydrogen-bonded Turntrans-61131.3173.125.4-32.3000110.5
108G71.7Confident80.3Confident59 Ų5960.6 Ų60.661%0.60836%0.358SS*.THydrogen-bonded Turntrans98.3-7.2179.500000115.8L106 I110 L111L106-G108 PolarHBondContact O-N 3.33Å; G108-I110 PolarHBondContact O-N 3.43Å; G108-I110 VanDerWaalsContact O-N 3.16Å; G108-L111 PolarHBondContact O-N 3.32Å
109T74.7Confident80.3Confident16 Ų1661.7 Ų61.710%0.09836%0.359CS..G310 helixtrans-70.4-9.5-177.854.70000115.3L103 A104 L106 L111 I112 L113L103-T109 WeakPolarHBondContact O-CG2 3.36Å; A104-T109 PolarHBondContact O-OG1 3.14Å; L106-T109 HydrophobicContact CB-CG2 3.81Å; L106-T109 VanDerWaalsContact O-CG2 3.29Å; L106-T109 WeakPolarHBondContact O-CG2 3.45Å; L106-T109 PolarHBondContact O-N 3.16Å; L106-T109 PolarHBondContact O-OG1 3.26Å; T109-L111 PolarHBondContact O-N 2.84Å; T109-L111 VanDerWaalsContact O-N 3.15Å; T109-I112 CarbonylContact O-C 3.32Å; T109-I112 WeakPolarHBondContact O-CA 3.33Å; T109-I112 PolarHBondContact O-N 3.38Å; T109-L113 PolarHBondContact O-N 2.88Å
110I70.5Confident80.3Confident71 Ų7159.8 Ų59.836%0.36435%0.346SS..G310 helixtrans-54.8-31.7171.5-68.3170.3000111.1W30 G108 I112 P114W30-I110 HydrophobicContact CD2-CD1 3.72Å; W30-I110 HydrophobicContact CE3-CD1 3.39Å; W30-I110 HydrophobicContact CH2-CD1 3.17Å; W30-I110 HydrophobicContact CH2-CG1 4.45Å; W30-I110 HydrophobicContact CZ2-CD1 3.5Å; W30-I110 VanDerWaalsContact CZ2-CD1 3.5Å; W30-I110 HydrophobicContact CZ2-CG1 4.47Å; W30-I110 HydrophobicContact CZ3-CD1 3.1Å; G108-I110 PolarHBondContact O-N 3.43Å; G108-I110 VanDerWaalsContact O-N 3.16Å; I110-I112 VanDerWaalsContact C-N 3.31Å; I110-P114 WeakPolarHBondContact O-CD 3.39Å
111L72Confident80.3Confident151 Ų15163.3 Ų63.379%0.79136%0.36SS*.G310 helixtrans-71.5-28.7176.5-142.797.5000112.6G108 T109G108-L111 PolarHBondContact O-N 3.32Å; T109-L111 PolarHBondContact O-N 2.84Å; T109-L111 VanDerWaalsContact O-N 3.15Å
112I79.5Confident80.2Confident65 Ų6567.2 Ų67.233%0.33338%0.38SS..THydrogen-bonded Turntrans-92.6-29.4-175.4-55.5174.2000111.2T109 I110 P114 I115 F116T109-I112 CarbonylContact O-C 3.32Å; T109-I112 WeakPolarHBondContact O-CA 3.33Å; T109-I112 PolarHBondContact O-N 3.38Å; I110-I112 VanDerWaalsContact C-N 3.31Å; I112-P114 VanDerWaalsContact C-CD 3.5Å; I112-I115 WeakPolarHBondContact O-CA 3.23Å; I112-I115 VanDerWaalsContact O-CB 3.23Å; I112-I115 WeakPolarHBondContact O-CB 3.33Å; I112-I115 PolarHBondContact O-N 2.83Å; I112-F116 HydrophobicContact CG2-CD1 4.46Å; I112-F116 HydrophobicContact CG2-CD2 4.31Å; I112-F116 HydrophobicContact CG2-CE1 3.84Å; I112-F116 HydrophobicContact CG2-CE2 3.68Å; I112-F116 HydrophobicContact CG2-CZ 3.41Å; I112-F116 VanDerWaalsContact CG2-CZ 3.41Å; I112-F116 PolarHBondContact O-N 3.43Å
113L77.7Confident80.1Confident27 Ų2764.7 Ų64.714%0.14136%0.364CS..Hα-helixtrans-53.7-43.7-178.5-152104.2000112.9A104 T109 I115 F116 F117A104-L113 HydrophobicContact CB-CD1 4.41Å; T109-L113 PolarHBondContact O-N 2.88Å; L113-I115 PolarHBondContact O-N 2.97Å; L113-F116 PolarHBondContact O-N 2.98Å; L113-F116 VanDerWaalsContact O-N 3.15Å; L113-F117 HydrophobicContact CD2-CD2 4.04Å; L113-F117 HydrophobicContact CD2-CE2 3.67Å; L113-F117 HydrophobicContact CG-CD2 4.14Å; L113-F117 HydrophobicContact CG-CE2 3.94Å; L113-F117 WeakPolarHBondContact O-CD2 3.43Å; L113-F117 PolarHBondContact O-N 3.45Å; L113-F117 VanDerWaalsContact O-N 3.14Å
114P78.9Confident80.2Confident81 Ų8161.5 Ų61.553%0.52635%0.348SS..Hα-helixtrans-57.7-35173.5-25.735.2000113.3I110 I112 F117 A118I110-P114 WeakPolarHBondContact O-CD 3.39Å; I112-P114 VanDerWaalsContact C-CD 3.5Å; P114-F117 PolarHBondContact O-N 3.4Å; P114-A118 VanDerWaalsContact O-CB 3.27Å; P114-A118 WeakPolarHBondContact O-CB 3.37Å; P114-A118 PolarHBondContact O-N 3.33Å
115I83.8Confident80.7Confident87 Ų8761.4 Ų61.445%0.44635%0.346SS..Hα-helixtrans-65.4-43.1177.7-55.4176.1000110.1I112 L113 F117 A118 F119I112-I115 WeakPolarHBondContact O-CA 3.23Å; I112-I115 VanDerWaalsContact O-CB 3.23Å; I112-I115 WeakPolarHBondContact O-CB 3.33Å; I112-I115 PolarHBondContact O-N 2.83Å; L113-I115 PolarHBondContact O-N 2.97Å; I115-F117 VanDerWaalsContact C-N 3.32Å; I115-F117 PolarHBondContact O-N 3.45Å; I115-A118 PolarHBondContact O-N 3.15Å; I115-F119 HydrophobicContact CG2-CD2 4.06Å; I115-F119 HydrophobicContact CG2-CE2 4.25Å; I115-F119 WeakPolarHBondContact O-CD2 3.49Å; I115-F119 PolarHBondContact O-N 3.48Å; I115-F119 VanDerWaalsContact O-N 3.13Å
116F85.3Confident81.2Confident11 Ų1162.2 Ų62.25%0.04835%0.345CS..Hα-helixtrans-61.8-41.3176.4-60.4-37.2000112.2V100 L103 I112 L113 F119 F123V100-F116 HydrophobicContact CB-CD2 4.37Å; V100-F116 HydrophobicContact CB-CE2 4.41Å; V100-F116 HydrophobicContact CG1-CD2 3.69Å; V100-F116 HydrophobicContact CG1-CE2 4.02Å; V100-F116 HydrophobicContact CG1-CG 4.21Å; V100-F116 HydrophobicContact CG2-CB 4.47Å; V100-F116 HydrophobicContact CG2-CD1 4.02Å; V100-F116 HydrophobicContact CG2-CD2 4.12Å; V100-F116 HydrophobicContact CG2-CE1 4.23Å; V100-F116 HydrophobicContact CG2-CE2 4.32Å; V100-F116 HydrophobicContact CG2-CG 3.96Å; V100-F116 HydrophobicContact CG2-CZ 4.37Å; L103-F116 HydrophobicContact CB-CE2 4.42Å; L103-F116 HydrophobicContact CB-CZ 4.29Å; L103-F116 HydrophobicContact CD1-CZ 3.79Å; I112-F116 HydrophobicContact CG2-CD1 4.46Å; I112-F116 HydrophobicContact CG2-CD2 4.31Å; I112-F116 HydrophobicContact CG2-CE1 3.84Å; I112-F116 HydrophobicContact CG2-CE2 3.68Å; I112-F116 HydrophobicContact CG2-CZ 3.41Å; I112-F116 VanDerWaalsContact CG2-CZ 3.41Å; I112-F116 PolarHBondContact O-N 3.43Å; L113-F116 PolarHBondContact O-N 2.98Å; L113-F116 VanDerWaalsContact O-N 3.15Å; F116-F119 CarbonylContact O-C 3.48Å; F116-F119 PolarHBondContact O-N 3.41Å; F116-F123 HydrophobicContact CB-CB 4.36Å; F116-F123 HydrophobicContact CD1-CB 4.05Å; F116-F123 HydrophobicContact CD1-CD1 4.08Å; F116-F123 AromaticContact CD1-CD2 3.93Å; F116-F123 HydrophobicContact CD1-CD2 3.93Å; F116-F123 HydrophobicContact CD1-CE2 4.4Å; F116-F123 AromaticContact CD1-CG 3.75Å; F116-F123 HydrophobicContact CD1-CG 3.75Å; F116-F123 HydrophobicContact CE1-CD1 4.26Å; F116-F123 HydrophobicContact CE1-CE1 4.48Å; F116-F123 HydrophobicContact CE1-CG 4.39Å
117F83.5Confident81.6Confident27 Ų2759.4 Ų59.412%0.11834%0.335CS..Hα-helixtrans-74.3-24.2176.6-78.8-73.8000113.9L43 F44 L113 P114 I115 P120 L124L43-F117 HydrophobicContact CD2-CD1 4.42Å; L43-F117 HydrophobicContact CD2-CE1 3.8Å; L43-F117 HydrophobicContact CG-CE1 4.21Å; F44-F117 HydrophobicContact CB-CE2 4.36Å; F44-F117 HydrophobicContact CB-CZ 4Å; L113-F117 HydrophobicContact CD2-CD2 4.04Å; L113-F117 HydrophobicContact CD2-CE2 3.67Å; L113-F117 HydrophobicContact CG-CD2 4.14Å; L113-F117 HydrophobicContact CG-CE2 3.94Å; L113-F117 WeakPolarHBondContact O-CD2 3.43Å; L113-F117 PolarHBondContact O-N 3.45Å; L113-F117 VanDerWaalsContact O-N 3.14Å; P114-F117 PolarHBondContact O-N 3.4Å; I115-F117 VanDerWaalsContact C-N 3.32Å; I115-F117 PolarHBondContact O-N 3.45Å; F117-P120 WeakPolarHBondContact O-CD 3.45Å; F117-L124 HydrophobicContact CD1-CD1 3.7Å; F117-L124 HydrophobicContact CE1-CD1 3.89Å; F117-L124 HydrophobicContact CG-CD1 4.24Å
118A84.1Confident82.5Confident65 Ų6553.3 Ų53.354%0.53730%0.296SS..Hα-helixtrans-72.5-29.4173.100000112.2P114 I115 P120P114-A118 VanDerWaalsContact O-CB 3.27Å; P114-A118 WeakPolarHBondContact O-CB 3.37Å; P114-A118 PolarHBondContact O-N 3.33Å; I115-A118 PolarHBondContact O-N 3.15Å; A118-P120 VanDerWaalsContact O-CD 3.23Å; A118-P120 WeakPolarHBondContact O-CD 3.38Å
119F87.5Confident83.3Confident114 Ų11452.3 Ų52.350%0.527%0.274SS..SBendtrans-119.159.9178.4-57.9-75.7000112.6I115 F116 R121 I122 F123I115-F119 HydrophobicContact CG2-CD2 4.06Å; I115-F119 HydrophobicContact CG2-CE2 4.25Å; I115-F119 WeakPolarHBondContact O-CD2 3.49Å; I115-F119 PolarHBondContact O-N 3.48Å; I115-F119 VanDerWaalsContact O-N 3.13Å; F116-F119 CarbonylContact O-C 3.48Å; F116-F119 PolarHBondContact O-N 3.41Å; F119-R121 PolarHBondContact O-N 3.27Å; F119-R121 VanDerWaalsContact O-N 3.13Å; F119-I122 HydrophobicContact CB-CD1 4.28Å; F119-I122 PolarHBondContact O-N 3.3Å; F119-I122 VanDerWaalsContact O-N 3.09Å; F119-F123 HydrophobicContact CB-CD2 3.91Å; F119-F123 HydrophobicContact CB-CE2 3.99Å; F119-F123 PolarHBondContact O-N 2.94Å
120P85.6Confident84Confident17 Ų1753 Ų5311%0.1128%0.278CS..Hα-helixtrans-63.9-27.9-169.426-34.4000113F117 A118 I122 L124 W129 I137F117-P120 WeakPolarHBondContact O-CD 3.45Å; A118-P120 VanDerWaalsContact O-CD 3.23Å; A118-P120 WeakPolarHBondContact O-CD 3.38Å; P120-I122 VanDerWaalsContact C-N 3.29Å; P120-I122 PolarHBondContact O-N 2.52Å; P120-L124 HydrophobicContact CB-CB 4.47Å; P120-L124 HydrophobicContact CB-CD1 4.16Å; P120-L124 CarbonylContact O-C 3.58Å; P120-L124 WeakPolarHBondContact O-CA 3.14Å; P120-L124 VanDerWaalsContact O-CB 3.32Å; P120-L124 WeakPolarHBondContact O-CB 3.42Å; P120-L124 PolarHBondContact O-N 2.85Å; P120-W129 PolarHBondContact O-NE1 3.16Å; P120-I137 HydrophobicContact CB-CD1 4.22Å; P120-I137 HydrophobicContact CG-CD1 3.75Å
121R85.6Confident84.8Confident75 Ų7555 Ų5528%0.28330%0.296SS..Hα-helixtrans-69-27.3179.3-61.5-174.1-167.7-164.4-1.2114F119 I137 K140 D144F119-R121 PolarHBondContact O-N 3.27Å; F119-R121 VanDerWaalsContact O-N 3.13Å; R121-I137 HydrophobicContact CG-CD1 4.29Å; R121-I137 HydrophobicContact CG-CG1 4.32Å; R121-I137 HydrophobicContact CG-CG2 3.78Å; R121-K140 VanDerWaalsContact NH2-CB 3.32Å; R121-K140 VanDerWaalsContact NH2-CD 3.29Å; R121-D144 IonicContact NH1-OD2 2.59Å
122I84Confident85.6Confident103 Ų10355.5 Ų55.553%0.52829%0.294SS..Hα-helixtrans-88.9-50.2-174.7-59.2177.8000109.1F119 P120F119-I122 HydrophobicContact CB-CD1 4.28Å; F119-I122 PolarHBondContact O-N 3.3Å; F119-I122 VanDerWaalsContact O-N 3.09Å; P120-I122 VanDerWaalsContact C-N 3.29Å; P120-I122 PolarHBondContact O-N 2.52Å
123F84.4Confident86.2Confident60 Ų6054.8 Ų54.826%0.26329%0.289SS..Hα-helixtrans-101.2-20.9-168-62.1-65.3000114.5K96 V100 F116 F119K96-F123 CarbonylContact C-O 3.56Å; K96-F123 VanDerWaalsContact O-O 3.04Å; V100-F123 HydrophobicContact CG2-CB 3.73Å; V100-F123 WeakPolarHBondContact CG2-O 3.41Å; F116-F123 HydrophobicContact CB-CB 4.36Å; F116-F123 HydrophobicContact CD1-CB 4.05Å; F116-F123 HydrophobicContact CD1-CD1 4.08Å; F116-F123 AromaticContact CD1-CD2 3.93Å; F116-F123 HydrophobicContact CD1-CD2 3.93Å; F116-F123 HydrophobicContact CD1-CE2 4.4Å; F116-F123 AromaticContact CD1-CG 3.75Å; F116-F123 HydrophobicContact CD1-CG 3.75Å; F116-F123 HydrophobicContact CE1-CD1 4.26Å; F116-F123 HydrophobicContact CE1-CE1 4.48Å; F116-F123 HydrophobicContact CE1-CG 4.39Å; F119-F123 HydrophobicContact CB-CD2 3.91Å; F119-F123 HydrophobicContact CB-CE2 3.99Å; F119-F123 PolarHBondContact O-N 2.94Å
124L87.7Confident86.9Confident1 Ų154.3 Ų54.31%0.00529%0.288CS..  trans-117.5146.3-170.1-58.2177.7000110.9V100 F117 P120 F128V100-L124 HydrophobicContact CG1-CD2 4.23Å; V100-L124 HydrophobicContact CG2-CD2 4.32Å; F117-L124 HydrophobicContact CD1-CD1 3.7Å; F117-L124 HydrophobicContact CE1-CD1 3.89Å; F117-L124 HydrophobicContact CG-CD1 4.24Å; P120-L124 HydrophobicContact CB-CB 4.47Å; P120-L124 HydrophobicContact CB-CD1 4.16Å; P120-L124 CarbonylContact O-C 3.58Å; P120-L124 WeakPolarHBondContact O-CA 3.14Å; P120-L124 VanDerWaalsContact O-CB 3.32Å; P120-L124 WeakPolarHBondContact O-CB 3.42Å; P120-L124 PolarHBondContact O-N 2.85Å; L124-F128 HydrophobicContact CB-CB 3.95Å; L124-F128 HydrophobicContact CB-CG 4.4Å; L124-F128 HydrophobicContact CD1-CB 4.09Å; L124-F128 HydrophobicContact CD2-CB 4.2Å; L124-F128 HydrophobicContact CD2-CD1 4.17Å; L124-F128 HydrophobicContact CD2-CD2 4.49Å; L124-F128 HydrophobicContact CD2-CG 4.04Å; L124-F128 HydrophobicContact CG-CB 4.31Å
125S89.2Confident87.5Confident6 Ų656 Ų564%0.04229%0.287CS..  trans-83.8172.316579.50000110.6I97 A127 F128 W129I97-S125 VanDerWaalsContact CD1-OG 3.29Å; I97-S125 WeakPolarHBondContact CD1-OG 3.46Å; S125-A127 PolarHBondContact O-N 3.35Å; S125-A127 VanDerWaalsContact O-N 3.1Å; S125-A127 PolarHBondContact OG-N 3.31Å; S125-F128 PolarHBondContact O-N 3Å; S125-F128 VanDerWaalsContact O-N 3.09Å; S125-W129 PolarHBondContact O-NE1 3.26Å
126R89.3Confident88Confident50 Ų5055.3 Ų55.319%0.18929%0.29CS..G310 helixtrans-55.1-28175.8-163.9-171.8-17591.73.9113.3F128 W129 D138R126-F128 PolarHBondContact O-N 3.02Å; R126-F128 VanDerWaalsContact O-N 3.15Å; R126-W129 HydrophobicContact CB-CE3 4.37Å; R126-W129 HydrophobicContact CG-CE3 4.07Å; R126-W129 HydrophobicContact CG-CZ3 4.43Å; R126-W129 PolarHBondContact O-N 3.16Å; R126-W129 VanDerWaalsContact O-N 3.13Å; R126-D138 IonicContact CZ-OD2 2.89Å; R126-D138 VanDerWaalsContact NH1-CG 3.28Å; R126-D138 IonicContact NH1-OD1 3.9Å; R126-D138 PolarHBondContact NH1-OD1 3.3Å; R126-D138 IonicContact NH1-OD2 3.14Å; R126-D138 PolarHBondContact NH1-OD2 2.91Å; R126-D138 IonicContact NH2-OD2 3.47Å; R126-D138 PolarHBondContact NH2-OD2 3.36Å
127A87.8Confident88.3Confident34 Ų3455.1 Ų55.128%0.28129%0.289SS..G310 helixtrans-62.9-19.9-179.900000113.5G47 S125G47-A127 WeakPolarHBondContact CA-O 3.27Å; S125-A127 PolarHBondContact O-N 3.35Å; S125-A127 VanDerWaalsContact O-N 3.1Å; S125-A127 PolarHBondContact OG-N 3.31Å
128F89.2Confident88.8Confident0 Ų054.6 Ų54.60%029%0.287CS..G310 helixtrans-99.82-179.7-67-95.8000113.2L43 F44 V48 T51 I97 L124 S125 R126L43-F128 WeakPolarHBondContact CD2-O 3.36Å; L43-F128 VanDerWaalsContact CG-O 3.3Å; L43-F128 WeakPolarHBondContact CG-O 3.25Å; F44-F128 HydrophobicContact CD2-CD1 4.13Å; F44-F128 AromaticContact CD2-CE1 3.67Å; F44-F128 HydrophobicContact CD2-CE1 3.67Å; F44-F128 AromaticContact CE2-CE1 3.98Å; F44-F128 HydrophobicContact CE2-CE1 3.98Å; F44-F128 HydrophobicContact CG-CE1 4.39Å; F44-F128 WeakPolarHBondContact O-CE1 3.13Å; V48-F128 HydrophobicContact CG2-CE1 4.01Å; V48-F128 HydrophobicContact CG2-CZ 4.01Å; V48-F128 VanDerWaalsContact N-CZ 3.28Å; T51-F128 WeakPolarHBondContact OG1-CE2 3.11Å; I97-F128 HydrophobicContact CD1-CD2 4.36Å; I97-F128 HydrophobicContact CD1-CE2 3.75Å; I97-F128 HydrophobicContact CG1-CD2 4.48Å; I97-F128 HydrophobicContact CG1-CE2 3.97Å; I97-F128 HydrophobicContact CG2-CE2 4.03Å; I97-F128 HydrophobicContact CG2-CZ 4.09Å; L124-F128 HydrophobicContact CB-CB 3.95Å; L124-F128 HydrophobicContact CB-CG 4.4Å; L124-F128 HydrophobicContact CD1-CB 4.09Å; L124-F128 HydrophobicContact CD2-CB 4.2Å; L124-F128 HydrophobicContact CD2-CD1 4.17Å; L124-F128 HydrophobicContact CD2-CD2 4.49Å; L124-F128 HydrophobicContact CD2-CG 4.04Å; L124-F128 HydrophobicContact CG-CB 4.31Å; S125-F128 PolarHBondContact O-N 3Å; S125-F128 VanDerWaalsContact O-N 3.09Å; R126-F128 PolarHBondContact O-N 3.02Å; R126-F128 VanDerWaalsContact O-N 3.15Å
129W88.9Confident89.1Confident38 Ų3853.9 Ų53.914%0.14428%0.276CS..  trans-96.3143.6-174-61.2-6.3000111.1P120 S125 R126 Q133 I137P120-W129 PolarHBondContact O-NE1 3.16Å; S125-W129 PolarHBondContact O-NE1 3.26Å; R126-W129 HydrophobicContact CB-CE3 4.37Å; R126-W129 HydrophobicContact CG-CE3 4.07Å; R126-W129 HydrophobicContact CG-CZ3 4.43Å; R126-W129 PolarHBondContact O-N 3.16Å; R126-W129 VanDerWaalsContact O-N 3.13Å; W129-Q133 HydrophobicContact CB-CB 4.06Å; W129-I137 HydrophobicContact CD2-CD1 3.75Å; W129-I137 HydrophobicContact CE3-CB 4.29Å; W129-I137 HydrophobicContact CE3-CD1 3.83Å; W129-I137 HydrophobicContact CE3-CG2 4.22Å; W129-I137 HydrophobicContact CG-CD1 4.32Å; W129-I137 HydrophobicContact CH2-CB 4.38Å; W129-I137 HydrophobicContact CH2-CD1 4.23Å; W129-I137 HydrophobicContact CH2-CG2 3.47Å; W129-I137 VanDerWaalsContact CH2-CG2 3.47Å; W129-I137 HydrophobicContact CZ2-CD1 4.15Å; W129-I137 HydrophobicContact CZ2-CG2 4.29Å; W129-I137 HydrophobicContact CZ3-CB 3.94Å; W129-I137 HydrophobicContact CZ3-CD1 4.07Å; W129-I137 HydrophobicContact CZ3-CG2 3.42Å; W129-I137 VanDerWaalsContact CZ3-CG2 3.42Å
130T88.8Confident89.3Confident30 Ų3054.1 Ų54.118%0.18428%0.277CS..  trans-68.6160.4168.170.40000110.6L43 E132 Q133 C134L43-T130 HydrophobicContact CD2-CG2 3.77Å; T130-E132 PolarHBondContact O-N 3.38Å; T130-Q133 WeakPolarHBondContact O-CB 3.45Å; T130-Q133 PolarHBondContact O-N 3.25Å; T130-Q133 VanDerWaalsContact O-N 3.16Å; T130-Q133 WeakPolarHBondContact OG1-CB 3.44Å; T130-Q133 VanDerWaalsContact OG1-CG 3.27Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.42Å; T130-Q133 PolarHBondContact OG1-N 3.38Å; T130-C134 PolarHBondContact O-N 3.32Å; T130-C134 PolarHBondContact O-SG 2.98Å
131P88.2Confident89.6Confident114 Ų11455.6 Ų55.674%0.7429%0.287SS*.Hα-helixtrans-57.2-36.2176.4-26.535.5000113.5C134 K135P131-C134 WeakPolarHBondContact O-CB 3.45Å; P131-C134 PolarHBondContact O-N 3.15Å; P131-K135 PolarHBondContact O-N 3.05Å; P131-K135 VanDerWaalsContact O-N 3.15Å
132E89.7Confident89.9Confident161 Ų16152.3 Ų52.375%0.75228%0.275SS*.Hα-helixtrans-68.9-42.6176.1-64.4175.7-175.800112T130 C134 K135 S136T130-E132 PolarHBondContact O-N 3.38Å; E132-C134 VanDerWaalsContact C-N 3.31Å; E132-C134 PolarHBondContact O-N 2.83Å; E132-K135 PolarHBondContact O-N 3.17Å; E132-S136 PolarHBondContact O-N 3.25Å; E132-S136 PolarHBondContact O-OG 3Å; E132-S136 VanDerWaalsContact O-OG 3.05Å
133Q91.4Very high90.2Very high50 Ų5052.7 Ų52.723%0.23427%0.273CS..Hα-helixtrans-61.6-41.4172.8-76.3175.9-20.700111W129 T130 K135 S136 I137W129-Q133 HydrophobicContact CB-CB 4.06Å; T130-Q133 WeakPolarHBondContact O-CB 3.45Å; T130-Q133 PolarHBondContact O-N 3.25Å; T130-Q133 VanDerWaalsContact O-N 3.16Å; T130-Q133 WeakPolarHBondContact OG1-CB 3.44Å; T130-Q133 VanDerWaalsContact OG1-CG 3.27Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.42Å; T130-Q133 PolarHBondContact OG1-N 3.38Å; Q133-K135 PolarHBondContact O-N 3.2Å; Q133-S136 WeakPolarHBondContact CA-OG 3.46Å; Q133-S136 PolarHBondContact O-N 2.87Å; Q133-S136 PolarHBondContact O-OG 3.32Å; Q133-S136 VanDerWaalsContact O-OG 3.13Å; Q133-I137 HydrophobicContact CB-CD1 4.16Å; Q133-I137 WeakPolarHBondContact O-CB 3.3Å; Q133-I137 WeakPolarHBondContact O-CD1 3.33Å; Q133-I137 WeakPolarHBondContact O-CG1 3.48Å; Q133-I137 PolarHBondContact O-N 3.06Å
134C92.1Very high90.4Very high16 Ų1653.4 Ų53.411%0.10828%0.28CS..Hα-helixtrans-56.1-52175.3-68.90000110.9T130 P131 E132 D138T130-C134 PolarHBondContact O-N 3.32Å; T130-C134 PolarHBondContact O-SG 2.98Å; P131-C134 WeakPolarHBondContact O-CB 3.45Å; P131-C134 PolarHBondContact O-N 3.15Å; E132-C134 VanDerWaalsContact C-N 3.31Å; E132-C134 PolarHBondContact O-N 2.83Å; C134-D138 WeakPolarHBondContact O-CB 3.48Å; C134-D138 PolarHBondContact O-N 3.41Å
135K92.3Very high90.6Very high117 Ų11754.8 Ų54.851%0.50929%0.285SS..Hα-helixtrans-58-55.7178.6179.5175179.7-176.40111.8P131 E132 Q133 I137 D138 T139 Y307P131-K135 PolarHBondContact O-N 3.05Å; P131-K135 VanDerWaalsContact O-N 3.15Å; E132-K135 PolarHBondContact O-N 3.17Å; Q133-K135 PolarHBondContact O-N 3.2Å; K135-I137 VanDerWaalsContact C-N 3.34Å; K135-I137 PolarHBondContact O-N 3.43Å; K135-D138 PolarHBondContact O-N 2.93Å; K135-T139 WeakPolarHBondContact O-CB 3.29Å; K135-T139 PolarHBondContact O-N 3.18Å; K135-T139 PolarHBondContact O-OG1 3.02Å; K135-Y307 HydrophobicContact CB-CD1 4.01Å; K135-Y307 HydrophobicContact CB-CE1 3.69Å; K135-Y307 HydrophobicContact CD-CD1 4.03Å; K135-Y307 HydrophobicContact CG-CD1 3.6Å; K135-Y307 HydrophobicContact CG-CE1 3.84Å; K135-Y307 HydrophobicContact CG-CG 4.03Å
136S92.6Very high90.6Very high72 Ų7254.9 Ų54.950%0.50329%0.285SS..Hα-helixtrans-62.9-39.3-176.459.20000112.9E132 Q133 K140E132-S136 PolarHBondContact O-N 3.25Å; E132-S136 PolarHBondContact O-OG 3Å; E132-S136 VanDerWaalsContact O-OG 3.05Å; Q133-S136 WeakPolarHBondContact CA-OG 3.46Å; Q133-S136 PolarHBondContact O-N 2.87Å; Q133-S136 PolarHBondContact O-OG 3.32Å; Q133-S136 VanDerWaalsContact O-OG 3.13Å; S136-K140 WeakPolarHBondContact O-CB 3.47Å; S136-K140 PolarHBondContact O-N 3.47Å
137I93Very high90.6Very high8 Ų854.4 Ų54.44%0.04129%0.286CS..Hα-helixtrans-69.2-49.8178.5-67.5169.1000110.9P120 R121 W129 Q133 K135 K140 C141P120-I137 HydrophobicContact CB-CD1 4.22Å; P120-I137 HydrophobicContact CG-CD1 3.75Å; R121-I137 HydrophobicContact CG-CD1 4.29Å; R121-I137 HydrophobicContact CG-CG1 4.32Å; R121-I137 HydrophobicContact CG-CG2 3.78Å; W129-I137 HydrophobicContact CD2-CD1 3.75Å; W129-I137 HydrophobicContact CE3-CB 4.29Å; W129-I137 HydrophobicContact CE3-CD1 3.83Å; W129-I137 HydrophobicContact CE3-CG2 4.22Å; W129-I137 HydrophobicContact CG-CD1 4.32Å; W129-I137 HydrophobicContact CH2-CB 4.38Å; W129-I137 HydrophobicContact CH2-CD1 4.23Å; W129-I137 HydrophobicContact CH2-CG2 3.47Å; W129-I137 VanDerWaalsContact CH2-CG2 3.47Å; W129-I137 HydrophobicContact CZ2-CD1 4.15Å; W129-I137 HydrophobicContact CZ2-CG2 4.29Å; W129-I137 HydrophobicContact CZ3-CB 3.94Å; W129-I137 HydrophobicContact CZ3-CD1 4.07Å; W129-I137 HydrophobicContact CZ3-CG2 3.42Å; W129-I137 VanDerWaalsContact CZ3-CG2 3.42Å; Q133-I137 HydrophobicContact CB-CD1 4.16Å; Q133-I137 WeakPolarHBondContact O-CB 3.3Å; Q133-I137 WeakPolarHBondContact O-CD1 3.33Å; Q133-I137 WeakPolarHBondContact O-CG1 3.48Å; Q133-I137 PolarHBondContact O-N 3.06Å; K135-I137 VanDerWaalsContact C-N 3.34Å; K135-I137 PolarHBondContact O-N 3.43Å; I137-K140 PolarHBondContact O-N 2.83Å; I137-C141 WeakPolarHBondContact O-CB 3.37Å; I137-C141 PolarHBondContact O-N 2.9Å; I137-C141 PolarHBondContact O-SG 3.5Å
138D92.9Very high90.6Very high15 Ų1560 Ų608%0.0830%0.301CS..Hα-helixtrans-62.5-46.3-177.4-70.9-20.6000111.5R126 C134 K135 K140 C141 L142 L300 Y307R126-D138 IonicContact CZ-OD2 2.89Å; R126-D138 VanDerWaalsContact NH1-CG 3.28Å; R126-D138 IonicContact NH1-OD1 3.9Å; R126-D138 PolarHBondContact NH1-OD1 3.3Å; R126-D138 IonicContact NH1-OD2 3.14Å; R126-D138 PolarHBondContact NH1-OD2 2.91Å; R126-D138 IonicContact NH2-OD2 3.47Å; R126-D138 PolarHBondContact NH2-OD2 3.36Å; C134-D138 WeakPolarHBondContact O-CB 3.48Å; C134-D138 PolarHBondContact O-N 3.41Å; K135-D138 PolarHBondContact O-N 2.93Å; D138-K140 VanDerWaalsContact C-N 3.34Å; D138-K140 PolarHBondContact O-N 3.1Å; D138-C141 PolarHBondContact O-N 3.39Å; D138-L142 WeakPolarHBondContact O-CB 3.28Å; D138-L142 PolarHBondContact O-N 3.27Å; D138-L300 HydrophobicContact CB-CD1 3.59Å; D138-L300 HydrophobicContact CB-CD2 3.99Å; D138-L300 HydrophobicContact CB-CG 4.46Å; D138-L300 WeakPolarHBondContact OD2-CD1 3.23Å; D138-Y307 HydrophobicContact CB-CE2 3.58Å; D138-Y307 PolarHBondContact OD2-OH 3.38Å
139T91.5Very high90.6Very high50 Ų5069.3 Ų69.331%0.30734%0.336SS..Hα-helixtrans-60.4-44178-57.30000111.5K135 L142 K143K135-T139 WeakPolarHBondContact O-CB 3.29Å; K135-T139 PolarHBondContact O-N 3.18Å; K135-T139 PolarHBondContact O-OG1 3.02Å; T139-L142 PolarHBondContact O-N 3.44Å; T139-K143 PolarHBondContact O-N 3.23Å
140K92Very high90.7Very high119 Ų11967.9 Ų67.952%0.51733%0.332SS..Hα-helixtrans-69.2-41.8178.1174.9168.1168.2179.80112R121 S136 I137 D138 L142 K143 D144R121-K140 VanDerWaalsContact NH2-CB 3.32Å; R121-K140 VanDerWaalsContact NH2-CD 3.29Å; S136-K140 WeakPolarHBondContact O-CB 3.47Å; S136-K140 PolarHBondContact O-N 3.47Å; I137-K140 PolarHBondContact O-N 2.83Å; D138-K140 VanDerWaalsContact C-N 3.34Å; D138-K140 PolarHBondContact O-N 3.1Å; K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 PolarHBondContact O-N 3.38Å; K140-K143 PolarHBondContact O-N 3.41Å; K140-D144 PolarHBondContact O-N 3.23Å
141C91.1Very high90.8Very high48 Ų4866.9 Ų66.932%0.32433%0.325SS..Hα-helixtrans-59.5-39.6174.7-74.80000111.8I137 D138 D144 R145I137-C141 WeakPolarHBondContact O-CB 3.37Å; I137-C141 PolarHBondContact O-N 2.9Å; I137-C141 PolarHBondContact O-SG 3.5Å; D138-C141 PolarHBondContact O-N 3.39Å; C141-D144 PolarHBondContact O-N 2.86Å; C141-R145 VanDerWaalsContact O-CG 3.25Å; C141-R145 WeakPolarHBondContact O-CG 3.38Å; C141-R145 PolarHBondContact O-N 3.49Å; C141-R145 VanDerWaalsContact O-N 3.14Å
142L91.2Very high90.8Very high6 Ų663.2 Ų63.23%0.03130%0.302CS..Hα-helixtrans-66-44.9175.6-163.173.8000111.1D138 T139 K140 D144 R145 F146 L300 N305D138-L142 WeakPolarHBondContact O-CB 3.28Å; D138-L142 PolarHBondContact O-N 3.27Å; T139-L142 PolarHBondContact O-N 3.44Å; K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 PolarHBondContact O-N 3.38Å; L142-D144 VanDerWaalsContact C-N 3.3Å; L142-D144 PolarHBondContact O-N 3.42Å; L142-R145 WeakPolarHBondContact O-CB 3.46Å; L142-R145 PolarHBondContact O-N 3.32Å; L142-R145 VanDerWaalsContact O-N 3.16Å; L142-F146 HydrophobicContact CD1-CD2 3.93Å; L142-F146 HydrophobicContact CD1-CE2 3.69Å; L142-F146 HydrophobicContact CG-CD2 4.09Å; L142-F146 HydrophobicContact CG-CE2 4.34Å; L142-F146 WeakPolarHBondContact O-CD2 3.16Å; L142-F146 PolarHBondContact O-N 3.02Å; L142-L300 HydrophobicContact CD1-CD2 4.42Å; L142-L300 HydrophobicContact CD2-CD2 4.5Å; L142-N305 HydrophobicContact CD2-CB 3.45Å; L142-N305 VanDerWaalsContact CD2-CB 3.45Å
143K90Very high91Very high111 Ų11158.7 Ų58.748%0.48328%0.283SS..Hα-helixtrans-57.9-41.7175.1-173.2169.7-179.6164.90112.3T139 K140 R145 F146 D147 H352T139-K143 PolarHBondContact O-N 3.23Å; K140-K143 PolarHBondContact O-N 3.41Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-R145 PolarHBondContact O-N 3.18Å; K143-F146 CarbonylContact O-C 3.42Å; K143-F146 PolarHBondContact O-N 3.43Å; K143-D147 PolarHBondContact O-N 3.01Å; K143-H352 PolarHBondContact NZ-NE2 3.25Å
144D90Very high91.1Very high75 Ų7556.3 Ų56.340%0.40127%0.271SS..Hα-helixtrans-67.5-31.8178.9-64.9-26.5000112.8R121 K140 C141 L142 R226R121-D144 IonicContact NH1-OD2 2.59Å; K140-D144 PolarHBondContact O-N 3.23Å; C141-D144 PolarHBondContact O-N 2.86Å; L142-D144 VanDerWaalsContact C-N 3.3Å; L142-D144 PolarHBondContact O-N 3.42Å; D144-R226 PolarHBondContact O-NE 2.84Å
145R90.9Very high91Very high31 Ų3157.5 Ų57.512%0.11728%0.275CS..Hα-helixtrans-74.1-41.4177.2-75.2171.860.9179.9-1.3112.3C141 L142 K143 D147 R226 L227 L300 L301C141-R145 VanDerWaalsContact O-CG 3.25Å; C141-R145 WeakPolarHBondContact O-CG 3.38Å; C141-R145 PolarHBondContact O-N 3.49Å; C141-R145 VanDerWaalsContact O-N 3.14Å; L142-R145 WeakPolarHBondContact O-CB 3.46Å; L142-R145 PolarHBondContact O-N 3.32Å; L142-R145 VanDerWaalsContact O-N 3.16Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-R145 PolarHBondContact O-N 3.18Å; R145-D147 VanDerWaalsContact C-N 3.32Å; R145-R226 WeakPolarHBondContact CG-O 3.44Å; R145-L227 VanDerWaalsContact CZ-O 3.29Å; R145-L227 PolarHBondContact NE-O 2.78Å; R145-L227 PolarHBondContact NH2-O 3.42Å; R145-L300 PolarHBondContact NH1-O 3.32Å; R145-L301 PolarHBondContact NH2-O 2.98Å
146F89.1Confident91Very high8 Ų854.6 Ų54.64%0.03527%0.269CS..THydrogen-bonded Turntrans-100.936-178.1-68.4-101000111.4L142 K143 L227 G303 P340 Y344 I348L142-F146 HydrophobicContact CD1-CD2 3.93Å; L142-F146 HydrophobicContact CD1-CE2 3.69Å; L142-F146 HydrophobicContact CG-CD2 4.09Å; L142-F146 HydrophobicContact CG-CE2 4.34Å; L142-F146 WeakPolarHBondContact O-CD2 3.16Å; L142-F146 PolarHBondContact O-N 3.02Å; K143-F146 CarbonylContact O-C 3.42Å; K143-F146 PolarHBondContact O-N 3.43Å; F146-L227 HydrophobicContact CD1-CD1 3.88Å; F146-L227 HydrophobicContact CE1-CD1 3.7Å; F146-L227 HydrophobicContact CE2-CD1 4.43Å; F146-L227 HydrophobicContact CG-CD1 4.28Å; F146-L227 HydrophobicContact CZ-CD1 3.97Å; F146-G303 VanDerWaalsContact CZ-CA 3.47Å; F146-P340 HydrophobicContact CE1-CB 3.86Å; F146-P340 HydrophobicContact CZ-CB 3.69Å; F146-Y344 HydrophobicContact CE1-CD2 4.47Å; F146-I348 HydrophobicContact CB-CD1 3.22Å; F146-I348 HydrophobicContact CD1-CD1 4.12Å; F146-I348 HydrophobicContact CD2-CD1 4.38Å; F146-I348 HydrophobicContact CG-CD1 3.69Å
147D89Confident91.1Very high40 Ų4053.3 Ų53.321%0.21425%0.254CS..  trans-62.1137.3173.8125.666.2000110K143 R145 R149 T150 Q151 R226K143-D147 PolarHBondContact O-N 3.01Å; R145-D147 VanDerWaalsContact C-N 3.32Å; D147-R149 PolarHBondContact O-N 3.47Å; D147-R149 VanDerWaalsContact O-N 3.15Å; D147-R149 WeakPolarHBondContact OD1-CA 3.38Å; D147-R149 WeakPolarHBondContact OD1-CB 3.32Å; D147-R149 PolarHBondContact OD1-N 2.72Å; D147-T150 WeakPolarHBondContact O-CB 3.3Å; D147-T150 PolarHBondContact O-N 3.21Å; D147-T150 WeakPolarHBondContact OD2-CB 3.28Å; D147-T150 PolarHBondContact OD2-N 2.95Å; D147-T150 VanDerWaalsContact OD2-N 3.13Å; D147-T150 PolarHBondContact OD2-OG1 3.43Å; D147-Q151 PolarHBondContact O-N 2.96Å; D147-R226 IonicContact OD2-CZ 2.84Å; D147-R226 IonicContact OD2-NE 3.72Å; D147-R226 IonicContact OD2-NH2 2.88Å
148Y88.1Confident91.1Very high151 Ų15152.9 Ų52.959%0.59225%0.252SS*.Hα-helixtrans-48.7-42.4179.8169.7-95.4000112.8T150 Q151 S152Y148-T150 PolarHBondContact O-N 2.97Å; Y148-Q151 PolarHBondContact O-N 3.21Å; Y148-S152 WeakPolarHBondContact O-CB 3.41Å; Y148-S152 PolarHBondContact O-N 3.1Å
149R90.8Very high91.1Very high196 Ų19654 Ų5474%0.7426%0.258SS*.Hα-helixtrans-62.5-43.7179.6-173.2-179.1-63.7179.30.7111.3D147 L153D147-R149 PolarHBondContact O-N 3.47Å; D147-R149 VanDerWaalsContact O-N 3.15Å; D147-R149 WeakPolarHBondContact OD1-CA 3.38Å; D147-R149 WeakPolarHBondContact OD1-CB 3.32Å; D147-R149 PolarHBondContact OD1-N 2.72Å; R149-L153 WeakPolarHBondContact O-CB 3.44Å; R149-L153 PolarHBondContact O-N 3.36Å
150T90.8Very high91.2Very high8 Ų856 Ų565%0.04927%0.27CS..Hα-helixtrans-65.2-45.5177.9-60.90000111.1D147 Y148 L154 A223 R226D147-T150 WeakPolarHBondContact O-CB 3.3Å; D147-T150 PolarHBondContact O-N 3.21Å; D147-T150 WeakPolarHBondContact OD2-CB 3.28Å; D147-T150 PolarHBondContact OD2-N 2.95Å; D147-T150 VanDerWaalsContact OD2-N 3.13Å; D147-T150 PolarHBondContact OD2-OG1 3.43Å; Y148-T150 PolarHBondContact O-N 2.97Å; T150-L154 HydrophobicContact CG2-CD1 4.34Å; T150-L154 WeakPolarHBondContact O-CG 3.22Å; T150-L154 PolarHBondContact O-N 3.44Å; T150-A223 HydrophobicContact CG2-CB 4.15Å; T150-R226 HydrophobicContact CG2-CB 4.29Å; T150-R226 HydrophobicContact CG2-CG 4.28Å; T150-R226 VanDerWaalsContact OG1-CD 3.27Å; T150-R226 WeakPolarHBondContact OG1-CD 3.44Å; T150-R226 PolarHBondContact OG1-NE 3.44Å
151Q89Confident91.3Very high8 Ų851.7 Ų51.74%0.03725%0.252CS..Hα-helixtrans-66.6-45.1179.3-66.3-174.9-40.100112.4D147 Y148 L154 K155 L341 Y345D147-Q151 PolarHBondContact O-N 2.96Å; Y148-Q151 PolarHBondContact O-N 3.21Å; Q151-L154 PolarHBondContact O-N 3.3Å; Q151-K155 WeakPolarHBondContact O-CB 2.98Å; Q151-K155 PolarHBondContact O-N 3.43Å; Q151-L341 HydrophobicContact CB-CD1 4.08Å; Q151-L341 HydrophobicContact CG-CD1 4.25Å; Q151-Y345 HydrophobicContact CB-CD2 4.11Å; Q151-Y345 HydrophobicContact CB-CE2 3.89Å
152S89.5Confident91.3Very high38 Ų3849.4 Ų49.427%0.26624%0.237SC..Hα-helixtrans-63.5-40.8177.6-178.10000111.6Y148 K155 S156Y148-S152 WeakPolarHBondContact O-CB 3.41Å; Y148-S152 PolarHBondContact O-N 3.1Å; S152-K155 PolarHBondContact O-N 3.35Å; S152-S156 WeakPolarHBondContact O-CB 3.46Å; S152-S156 PolarHBondContact O-N 2.96Å; S152-S156 PolarHBondContact O-OG 2.98Å
153L93.2Very high91.3Very high66 Ų6656.2 Ų56.235%0.34626%0.264SS..Hα-helixtrans-61-46.8172.9178.566.3000111.9R149 S156 K157 A223R149-L153 WeakPolarHBondContact O-CB 3.44Å; R149-L153 PolarHBondContact O-N 3.36Å; L153-S156 WeakPolarHBondContact CA-OG 3.41Å; L153-S156 PolarHBondContact O-OG 2.8Å; L153-K157 HydrophobicContact CD1-CD 3.89Å; L153-K157 HydrophobicContact CD1-CG 4.33Å; L153-K157 HydrophobicContact CG-CD 4.11Å; L153-K157 WeakPolarHBondContact O-CB 3.29Å; L153-K157 VanDerWaalsContact O-CG 3.3Å; L153-K157 WeakPolarHBondContact O-CG 3.34Å; L153-K157 PolarHBondContact O-N 2.85Å; L153-A223 HydrophobicContact CD2-CB 4.03Å
154L93.6Very high91.4Very high0 Ų054.8 Ų54.80%027%0.267CS..Hα-helixtrans-63.5-45.4178-76.5169.7000111.4T150 Q151 K157 L158 H220 A223 L224 L227 L341T150-L154 HydrophobicContact CG2-CD1 4.34Å; T150-L154 WeakPolarHBondContact O-CG 3.22Å; T150-L154 PolarHBondContact O-N 3.44Å; Q151-L154 PolarHBondContact O-N 3.3Å; L154-K157 PolarHBondContact O-N 3.36Å; L154-L158 WeakPolarHBondContact O-CB 3.45Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.22Å; L154-L158 PolarHBondContact O-N 3.41Å; L154-H220 WeakPolarHBondContact CD2-NE2 3.49Å; L154-A223 HydrophobicContact CD1-CB 4.24Å; L154-A223 HydrophobicContact CD2-CB 3.68Å; L154-A223 HydrophobicContact CG-CB 3.71Å; L154-L224 HydrophobicContact CD1-CD2 4.34Å; L154-L224 HydrophobicContact CD2-CD2 4.01Å; L154-L224 HydrophobicContact CD2-CG 3.98Å; L154-L227 HydrophobicContact CD1-CB 4.32Å; L154-L227 HydrophobicContact CD1-CD2 3.97Å; L154-L341 HydrophobicContact CB-CD1 4.32Å; L154-L341 HydrophobicContact CB-CD2 3.79Å
155K91Very high91.5Very high41 Ų4151.7 Ų51.718%0.17825%0.251CS..Hα-helixtrans-61.5-50.5178.9-178.7175.1-178.11690111.8Q151 S152 K157 L158 L159 L186 Y345Q151-K155 WeakPolarHBondContact O-CB 2.98Å; Q151-K155 PolarHBondContact O-N 3.43Å; S152-K155 PolarHBondContact O-N 3.35Å; K155-K157 VanDerWaalsContact C-N 3.3Å; K155-K157 PolarHBondContact O-N 3.03Å; K155-L158 PolarHBondContact O-N 2.96Å; K155-L159 HydrophobicContact CG-CD1 4.11Å; K155-L159 WeakPolarHBondContact O-CG 3.11Å; K155-L159 PolarHBondContact O-N 3.36Å; K155-L186 WeakPolarHBondContact CE-O 3.14Å; K155-L186 PolarHBondContact NZ-O 3.26Å; K155-Y345 HydrophobicContact CB-CE2 4.1Å; K155-Y345 HydrophobicContact CD-CE1 3.72Å; K155-Y345 HydrophobicContact CD-CE2 3.89Å; K155-Y345 VanDerWaalsContact CD-OH 3.25Å; K155-Y345 WeakPolarHBondContact CD-OH 3.43Å
156S91.8Very high91Very high55 Ų5551.7 Ų51.739%0.38526%0.256SS..Hα-helixtrans-60-41179.855.80000112S152 L153 L159 T160S152-S156 WeakPolarHBondContact O-CB 3.46Å; S152-S156 PolarHBondContact O-N 2.96Å; S152-S156 PolarHBondContact O-OG 2.98Å; L153-S156 WeakPolarHBondContact CA-OG 3.41Å; L153-S156 PolarHBondContact O-OG 2.8Å; S156-L159 PolarHBondContact O-N 2.94Å; S156-T160 WeakPolarHBondContact O-CB 3.48Å; S156-T160 PolarHBondContact O-N 3.46Å; S156-T160 PolarHBondContact O-OG1 3.28Å
157K94.1Very high90.4Very high45 Ų4556.7 Ų56.720%0.19629%0.291CS..Hα-helixtrans-68.3-42.8176-75.7178.6165.6-78.90113.3L153 L154 K155 L159 T160 I161 D217 S219 H220L153-K157 HydrophobicContact CD1-CD 3.89Å; L153-K157 HydrophobicContact CD1-CG 4.33Å; L153-K157 HydrophobicContact CG-CD 4.11Å; L153-K157 WeakPolarHBondContact O-CB 3.29Å; L153-K157 VanDerWaalsContact O-CG 3.3Å; L153-K157 WeakPolarHBondContact O-CG 3.34Å; L153-K157 PolarHBondContact O-N 2.85Å; L154-K157 PolarHBondContact O-N 3.36Å; K155-K157 VanDerWaalsContact C-N 3.3Å; K155-K157 PolarHBondContact O-N 3.03Å; K157-L159 VanDerWaalsContact C-N 3.34Å; K157-L159 PolarHBondContact O-N 3.15Å; K157-T160 WeakPolarHBondContact O-CB 3.4Å; K157-T160 PolarHBondContact O-N 3.22Å; K157-I161 WeakPolarHBondContact O-CG1 3.3Å; K157-I161 PolarHBondContact O-N 3.48Å; K157-D217 IonicContact NZ-OD1 3.7Å; K157-D217 PolarHBondContact NZ-OD1 3.45Å; K157-D217 IonicContact NZ-OD2 3.92Å; K157-D217 PolarHBondContact NZ-OD2 2.97Å; K157-S219 WeakPolarHBondContact CE-OG 3.43Å; K157-S219 PolarHBondContact NZ-OG 3.2Å; K157-H220 WeakPolarHBondContact CB-ND1 2.94Å; K157-H220 HydrophobicContact CD-CB 4.02Å
158L93.5Very high90Very high0 Ų056.4 Ų56.40%029%0.292CS..Hα-helixtrans-56.3-50.6173.3-77.8177.5000110.6L154 K155 T160 I161 I162 L186 L211 L341L154-L158 WeakPolarHBondContact O-CB 3.45Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.22Å; L154-L158 PolarHBondContact O-N 3.41Å; K155-L158 PolarHBondContact O-N 2.96Å; L158-T160 VanDerWaalsContact C-N 3.32Å; L158-T160 PolarHBondContact O-N 2.89Å; L158-I161 PolarHBondContact O-N 3Å; L158-I162 VanDerWaalsContact O-CD1 3.32Å; L158-I162 WeakPolarHBondContact O-CD1 3.46Å; L158-I162 WeakPolarHBondContact O-CG1 3.38Å; L158-I162 PolarHBondContact O-N 2.98Å; L158-L186 HydrophobicContact CB-CD1 3.89Å; L158-L186 HydrophobicContact CD1-CD1 4.1Å; L158-L211 HydrophobicContact CD2-CD1 4.05Å; L158-L211 HydrophobicContact CD2-CD2 3.55Å; L158-L211 HydrophobicContact CD2-CG 4.4Å; L158-L341 HydrophobicContact CD1-CD2 3.62Å
159L92.3Very high89.4Confident37 Ų3757.9 Ų57.919%0.19431%0.307CS..Hα-helixtrans-58.8-43.6177.6-71.3173.4000111.9K155 S156 K157 I161 I162 Y163 L186K155-L159 HydrophobicContact CG-CD1 4.11Å; K155-L159 WeakPolarHBondContact O-CG 3.11Å; K155-L159 PolarHBondContact O-N 3.36Å; S156-L159 PolarHBondContact O-N 2.94Å; K157-L159 VanDerWaalsContact C-N 3.34Å; K157-L159 PolarHBondContact O-N 3.15Å; L159-I161 PolarHBondContact O-N 2.9Å; L159-I162 HydrophobicContact CD2-CD1 4.43Å; L159-I162 PolarHBondContact O-N 2.85Å; L159-Y163 HydrophobicContact CB-CD2 4.31Å; L159-Y163 HydrophobicContact CB-CE2 4.01Å; L159-Y163 HydrophobicContact CD2-CE2 4.16Å; L159-Y163 WeakPolarHBondContact O-CD2 3.46Å; L159-Y163 PolarHBondContact O-N 2.83Å; L159-L186 HydrophobicContact CD2-CB 4.3Å; L159-L186 HydrophobicContact CD2-CD1 4.15Å; L159-L186 HydrophobicContact CG-CD1 4.35Å
160T93.5Very high89.1Confident92 Ų9255.4 Ų55.456%0.56431%0.308SS*.Hα-helixtrans-57.4-48.7176.7-56.80000111.3S156 K157 L158 I162 Y163 S164S156-T160 WeakPolarHBondContact O-CB 3.48Å; S156-T160 PolarHBondContact O-N 3.46Å; S156-T160 PolarHBondContact O-OG1 3.28Å; K157-T160 WeakPolarHBondContact O-CB 3.4Å; K157-T160 PolarHBondContact O-N 3.22Å; L158-T160 VanDerWaalsContact C-N 3.32Å; L158-T160 PolarHBondContact O-N 2.89Å; T160-I162 VanDerWaalsContact C-N 3.34Å; T160-I162 PolarHBondContact O-N 3.07Å; T160-Y163 PolarHBondContact O-N 3.43Å; T160-S164 WeakPolarHBondContact O-CB 3.31Å; T160-S164 PolarHBondContact O-N 3.32Å; T160-S164 PolarHBondContact O-OG 3.02Å
161I93.7Very high89Confident29 Ų2957.7 Ų57.715%0.14932%0.316CS..Hα-helixtrans-64.9-40.1179.2-63.8164.4000111K157 L158 L159 S164 S165 P210 L211 L216K157-I161 WeakPolarHBondContact O-CG1 3.3Å; K157-I161 PolarHBondContact O-N 3.48Å; L158-I161 PolarHBondContact O-N 3Å; L159-I161 PolarHBondContact O-N 2.9Å; I161-S164 PolarHBondContact O-OG 2.9Å; I161-S164 VanDerWaalsContact O-OG 3.08Å; I161-S165 WeakPolarHBondContact O-CB 3.45Å; I161-S165 PolarHBondContact O-N 3.46Å; I161-S165 PolarHBondContact O-OG 3.09Å; I161-P210 HydrophobicContact CG2-CB 3.96Å; I161-L211 HydrophobicContact CB-CD2 4.01Å; I161-L211 HydrophobicContact CD1-CD2 4.05Å; I161-L211 HydrophobicContact CG2-CD2 3.67Å; I161-L216 HydrophobicContact CD1-CD2 3.72Å
162I92.8Very high89.1Confident1 Ų160.3 Ų60.31%0.00534%0.336CS..Hα-helixtrans-62.2-50.5179-67.2158.4000110.4L158 L159 T160 S165 S166 L179 L182 A183 L186L158-I162 VanDerWaalsContact O-CD1 3.32Å; L158-I162 WeakPolarHBondContact O-CD1 3.46Å; L158-I162 WeakPolarHBondContact O-CG1 3.38Å; L158-I162 PolarHBondContact O-N 2.98Å; L159-I162 HydrophobicContact CD2-CD1 4.43Å; L159-I162 PolarHBondContact O-N 2.85Å; T160-I162 VanDerWaalsContact C-N 3.34Å; T160-I162 PolarHBondContact O-N 3.07Å; I162-S165 PolarHBondContact O-N 3.22Å; I162-S166 WeakPolarHBondContact O-CB 3.18Å; I162-S166 PolarHBondContact O-N 3.3Å; I162-S166 PolarHBondContact O-OG 2.85Å; I162-L179 HydrophobicContact CB-CD2 4.41Å; I162-L179 HydrophobicContact CG1-CD2 3.89Å; I162-L179 HydrophobicContact CG2-CB 4.12Å; I162-L179 HydrophobicContact CG2-CD2 4.46Å; I162-L182 HydrophobicContact CD1-CD2 3.29Å; I162-L182 HydrophobicContact CD1-CG 4.48Å; I162-L182 HydrophobicContact CG1-CD2 4.25Å; I162-A183 HydrophobicContact CG2-CB 3.98Å; I162-L186 HydrophobicContact CD1-CD1 4.02Å
163Y90.9Very high89.1Confident149 Ų14965 Ų6558%0.58435%0.353SS*.Hα-helixtrans-66.3-41.5-178.8-67.1-54.8000112L159 T160 S165L159-Y163 HydrophobicContact CB-CD2 4.31Å; L159-Y163 HydrophobicContact CB-CE2 4.01Å; L159-Y163 HydrophobicContact CD2-CE2 4.16Å; L159-Y163 WeakPolarHBondContact O-CD2 3.46Å; L159-Y163 PolarHBondContact O-N 2.83Å; T160-Y163 PolarHBondContact O-N 3.43Å; Y163-S165 VanDerWaalsContact C-N 3.3Å; Y163-S165 PolarHBondContact O-N 3.06Å
164S91.9Very high89Confident80 Ų8065.6 Ų65.656%0.55936%0.361SS*.Hα-helixtrans-66.1-33.6177.168.50000112.8T160 I161T160-S164 WeakPolarHBondContact O-CB 3.31Å; T160-S164 PolarHBondContact O-N 3.32Å; T160-S164 PolarHBondContact O-OG 3.02Å; I161-S164 PolarHBondContact O-OG 2.9Å; I161-S164 VanDerWaalsContact O-OG 3.08Å
165S91Very high89Confident10 Ų1066.8 Ų66.87%0.0737%0.367CS..Hα-helixtrans-85.7-24.8-177.3-54.30000113.1I161 I162 Y163 C167 S168 P210I161-S165 WeakPolarHBondContact O-CB 3.45Å; I161-S165 PolarHBondContact O-N 3.46Å; I161-S165 PolarHBondContact O-OG 3.09Å; I162-S165 PolarHBondContact O-N 3.22Å; Y163-S165 VanDerWaalsContact C-N 3.3Å; Y163-S165 PolarHBondContact O-N 3.06Å; S165-C167 PolarHBondContact O-N 2.97Å; S165-S168 WeakPolarHBondContact O-CB 3.19Å; S165-S168 PolarHBondContact O-N 2.99Å; S165-P210 WeakPolarHBondContact OG-CB 3.41Å
166S81.4Confident89Confident31 Ų3165.5 Ų65.522%0.21736%0.362CS..Hα-helixtrans-64-22.4-178.6-67.20000113.4I162I162-S166 WeakPolarHBondContact O-CB 3.18Å; I162-S166 PolarHBondContact O-N 3.3Å; I162-S166 PolarHBondContact O-OG 2.85Å
167C76.3Confident89Confident114 Ų11468.5 Ų68.577%0.7737%0.368SS*.THydrogen-bonded Turntrans-96.7-1.8177-60.30000113.4S165S165-C167 PolarHBondContact O-N 2.97Å
168S81Confident89Confident34 Ų3466.4 Ų66.424%0.23836%0.36CS..  trans-84.8128.8-175.6-177.80000111.6S165 N170S165-S168 WeakPolarHBondContact O-CB 3.19Å; S165-S168 PolarHBondContact O-N 2.99Å; S168-N170 PolarHBondContact O-N 2.99Å; S168-N170 PolarHBondContact OG-N 3.28Å
169M74.6Confident89Confident182 Ų18266.4 Ų66.490%0.89736%0.36SS*.THydrogen-bonded Turntrans-70.5-6.7176.6-64.9-64-75.800113.6
170N85.9Confident88.9Confident144 Ų14470.4 Ų70.477%0.7737%0.372SS*.THydrogen-bonded Turntrans-85.2-7.5-172.5-63.8-14.7000114.1S168S168-N170 PolarHBondContact O-N 2.99Å; S168-N170 PolarHBondContact OG-N 3.28Å
171Y87.3Confident88.7Confident55 Ų5568.2 Ų68.222%0.21636%0.357CS..SBendtrans-109.5142.1-176.5-62.4-65.1000112.1I175 P210 Q215Y171-I175 HydrophobicContact CD1-CD1 4.34Å; Y171-I175 HydrophobicContact CD1-CG2 4.25Å; Y171-I175 HydrophobicContact CG-CG2 4.26Å; Y171-P210 HydrophobicContact CE1-CB 4.35Å; Y171-P210 HydrophobicContact CE2-CB 4.19Å; Y171-Q215 PolarHBondContact OH-OE1 3.32Å
172S90.8Very high88.5Confident64 Ų6466.9 Ų66.945%0.44835%0.35SS..  trans-68.9156.8178.163.80000112.2P174 I175 L176S172-P174 VanDerWaalsContact C-CD 3.46Å; S172-I175 WeakPolarHBondContact O-CB 3.27Å; S172-I175 PolarHBondContact O-N 2.77Å; S172-L176 PolarHBondContact O-N 3.32Å; S172-L176 VanDerWaalsContact O-N 3.1Å
173Q90.4Very high88.3Confident135 Ų13567.3 Ų67.363%0.63135%0.354SS*.Hα-helixtrans-54-40.2-179.9-71.3-60.6-25.300114.7I175 L176 K177Q173-I175 VanDerWaalsContact C-N 3.3Å; Q173-I175 PolarHBondContact O-N 3.19Å; Q173-L176 PolarHBondContact O-N 2.71Å; Q173-K177 WeakPolarHBondContact O-CB 3.43Å; Q173-K177 PolarHBondContact O-N 2.76Å
174P91.6Very high88Confident79 Ų7964.3 Ų64.351%0.51335%0.348SS..Hα-helixtrans-59.9-38.3175.2-25.235000113.2S172 S178S172-P174 VanDerWaalsContact C-CD 3.46Å; P174-S178 WeakPolarHBondContact O-CB 3.24Å; P174-S178 PolarHBondContact O-N 2.77Å
175I92.5Very high87.5Confident26 Ų2661.3 Ų61.313%0.13333%0.328CS..Hα-helixtrans-68.2-45.5178-63.1173.6000109.9Y171 S172 Q173 K177 S178 L179 P205 P210Y171-I175 HydrophobicContact CD1-CD1 4.34Å; Y171-I175 HydrophobicContact CD1-CG2 4.25Å; Y171-I175 HydrophobicContact CG-CG2 4.26Å; S172-I175 WeakPolarHBondContact O-CB 3.27Å; S172-I175 PolarHBondContact O-N 2.77Å; Q173-I175 VanDerWaalsContact C-N 3.3Å; Q173-I175 PolarHBondContact O-N 3.19Å; I175-K177 PolarHBondContact O-N 2.75Å; I175-S178 WeakPolarHBondContact O-CB 3.36Å; I175-S178 PolarHBondContact O-N 3.25Å; I175-L179 HydrophobicContact CG2-CD1 4.34Å; I175-L179 WeakPolarHBondContact O-CG 3.47Å; I175-L179 PolarHBondContact O-N 2.83Å; I175-P205 HydrophobicContact CG1-CB 4.24Å; I175-P210 HydrophobicContact CG2-CG 4.36Å
176L92.3Very high87.2Confident14 Ų1461 Ų617%0.07333%0.326CS..Hα-helixtrans-63.2-41.4178.5-64.7176.3000112.1S172 Q173 L179 R180S172-L176 PolarHBondContact O-N 3.32Å; S172-L176 VanDerWaalsContact O-N 3.1Å; Q173-L176 PolarHBondContact O-N 2.71Å; L176-L179 HydrophobicContact CD2-CD1 4.37Å; L176-L179 PolarHBondContact O-N 3.22Å; L176-R180 WeakPolarHBondContact O-CG 3.48Å; L176-R180 PolarHBondContact O-N 3.32Å; L176-R180 VanDerWaalsContact O-N 3.17Å
177K91.9Very high87Confident117 Ų11763 Ų6351%0.50934%0.339SS..Hα-helixtrans-61-47.1172.7-174.8-176176.4-166.50111Q173 I175 L179 R180 N181Q173-K177 WeakPolarHBondContact O-CB 3.43Å; Q173-K177 PolarHBondContact O-N 2.76Å; I175-K177 PolarHBondContact O-N 2.75Å; K177-L179 VanDerWaalsContact C-N 3.31Å; K177-L179 PolarHBondContact O-N 2.83Å; K177-R180 PolarHBondContact O-N 3.28Å; K177-R180 VanDerWaalsContact O-N 3.17Å; K177-N181 PolarHBondContact O-N 3.42Å
178S93.3Very high86.6Confident2 Ų263.2 Ų63.21%0.01433%0.329CS..Hα-helixtrans-57.5-42.1177.9-172.90000112.4P174 I175 N181 L182 D202 L203 A206P174-S178 WeakPolarHBondContact O-CB 3.24Å; P174-S178 PolarHBondContact O-N 2.77Å; I175-S178 WeakPolarHBondContact O-CB 3.36Å; I175-S178 PolarHBondContact O-N 3.25Å; S178-N181 PolarHBondContact O-N 3.42Å; S178-L182 WeakPolarHBondContact O-CB 3.36Å; S178-L182 PolarHBondContact O-N 3.49Å; S178-D202 WeakPolarHBondContact CA-O 3.3Å; S178-D202 WeakPolarHBondContact CB-O 3.35Å; S178-D202 PolarHBondContact OG-O 2.97Å; S178-L203 VanDerWaalsContact OG-CA 3.28Å; S178-L203 WeakPolarHBondContact OG-CA 3.33Å; S178-L203 PolarHBondContact OG-O 2.76Å; S178-A206 WeakPolarHBondContact OG-CB 3.49Å; S178-A206 PolarHBondContact OG-N 3.25Å
179L93Very high85.4Confident0 Ų062.9 Ų62.90%033%0.329CS..Hα-helixtrans-62.6-43175.3-73.6172.3000113I162 I175 L176 K177 L182 A183 A206 P210 L211I162-L179 HydrophobicContact CB-CD2 4.41Å; I162-L179 HydrophobicContact CG1-CD2 3.89Å; I162-L179 HydrophobicContact CG2-CB 4.12Å; I162-L179 HydrophobicContact CG2-CD2 4.46Å; I175-L179 HydrophobicContact CG2-CD1 4.34Å; I175-L179 WeakPolarHBondContact O-CG 3.47Å; I175-L179 PolarHBondContact O-N 2.83Å; L176-L179 HydrophobicContact CD2-CD1 4.37Å; L176-L179 PolarHBondContact O-N 3.22Å; K177-L179 VanDerWaalsContact C-N 3.31Å; K177-L179 PolarHBondContact O-N 2.83Å; L179-L182 PolarHBondContact O-N 2.89Å; L179-A183 PolarHBondContact O-N 3.03Å; L179-A206 HydrophobicContact CD2-CB 3.76Å; L179-A206 HydrophobicContact CG-CB 4.13Å; L179-P210 HydrophobicContact CD1-CG 3.94Å; L179-P210 HydrophobicContact CD2-CG 3.78Å; L179-P210 HydrophobicContact CG-CG 4.26Å; L179-L211 HydrophobicContact CD2-CD1 4.41Å
180R90.1Very high84.2Confident120 Ų12058.4 Ų58.445%0.45332%0.315SS..Hα-helixtrans-63.6-44.8176.6-67.8179.8-167.4112.40.2111.2L176 K177 L182 A183 N184L176-R180 WeakPolarHBondContact O-CG 3.48Å; L176-R180 PolarHBondContact O-N 3.32Å; L176-R180 VanDerWaalsContact O-N 3.17Å; K177-R180 PolarHBondContact O-N 3.28Å; K177-R180 VanDerWaalsContact O-N 3.17Å; R180-L182 VanDerWaalsContact C-N 3.27Å; R180-L182 PolarHBondContact O-N 2.91Å; R180-A183 PolarHBondContact O-N 3.08Å; R180-N184 PolarHBondContact O-N 3.49Å
181N89.6Confident82.3Confident47 Ų4757.1 Ų57.125%0.25131%0.307SS..Hα-helixtrans-60.7-40175.8-70.60.7000111.2K177 S178 N184 A185 L203K177-N181 PolarHBondContact O-N 3.42Å; S178-N181 PolarHBondContact O-N 3.42Å; N181-N184 PolarHBondContact O-N 3.39Å; N181-A185 PolarHBondContact O-N 2.87Å; N181-L203 HydrophobicContact CB-CD2 3.76Å
182L89.6Confident80.7Confident0 Ų061.9 Ų61.90%034%0.335CS..Hα-helixtrans-67-40.5177.5-161.3150000112.1I162 S178 L179 R180 N184 A185 L186 L203 A206 F207 L211I162-L182 HydrophobicContact CD1-CD2 3.29Å; I162-L182 HydrophobicContact CD1-CG 4.48Å; I162-L182 HydrophobicContact CG1-CD2 4.25Å; S178-L182 WeakPolarHBondContact O-CB 3.36Å; S178-L182 PolarHBondContact O-N 3.49Å; L179-L182 PolarHBondContact O-N 2.89Å; R180-L182 VanDerWaalsContact C-N 3.27Å; R180-L182 PolarHBondContact O-N 2.91Å; L182-N184 VanDerWaalsContact C-N 3.32Å; L182-N184 PolarHBondContact O-N 2.81Å; L182-A185 PolarHBondContact O-N 2.84Å; L182-L186 HydrophobicContact CD2-CD1 3.47Å; L182-L186 VanDerWaalsContact CD2-CD1 3.47Å; L182-L186 HydrophobicContact CD2-CG 3.92Å; L182-L186 WeakPolarHBondContact O-CB 3.48Å; L182-L186 WeakPolarHBondContact O-CG 3.33Å; L182-L186 PolarHBondContact O-N 2.91Å; L182-L203 HydrophobicContact CB-CD2 3.95Å; L182-L203 HydrophobicContact CG-CD2 4.49Å; L182-A206 HydrophobicContact CD1-CB 4.31Å; L182-F207 HydrophobicContact CD1-CD2 4.38Å; L182-F207 HydrophobicContact CD1-CE1 4.43Å; L182-F207 HydrophobicContact CD1-CE2 3.46Å; L182-F207 VanDerWaalsContact CD1-CE2 3.46Å; L182-F207 HydrophobicContact CD1-CZ 3.5Å; L182-L211 HydrophobicContact CD1-CD1 3.9Å
183A88.5Confident79.1Confident10 Ų1066.6 Ų66.68%0.08335%0.35CS..Hα-helixtrans-60-43.9173.600000111.6I162 L179 R180 L186 S187I162-A183 HydrophobicContact CG2-CB 3.98Å; L179-A183 PolarHBondContact O-N 3.03Å; R180-A183 PolarHBondContact O-N 3.08Å; A183-L186 PolarHBondContact O-N 3.13Å; A183-S187 PolarHBondContact O-N 2.82Å; A183-S187 PolarHBondContact O-OG 2.96Å
184N84.9Confident77.9Confident87 Ų8764.9 Ų64.947%0.46535%0.351SS..Hα-helixtrans-63.5-43.3176.7-67.6-13.7000111.4R180 N181 L182 L186 S187 Q188R180-N184 PolarHBondContact O-N 3.49Å; N181-N184 PolarHBondContact O-N 3.39Å; L182-N184 VanDerWaalsContact C-N 3.32Å; L182-N184 PolarHBondContact O-N 2.81Å; N184-L186 VanDerWaalsContact C-N 3.35Å; N184-L186 PolarHBondContact O-N 3.02Å; N184-S187 WeakPolarHBondContact CA-OG 3.42Å; N184-S187 PolarHBondContact O-N 3.36Å; N184-S187 PolarHBondContact O-OG 3.42Å; N184-Q188 VanDerWaalsContact O-CB 3.25Å; N184-Q188 WeakPolarHBondContact O-CB 3.35Å; N184-Q188 VanDerWaalsContact O-CG 3.24Å; N184-Q188 WeakPolarHBondContact O-CG 3.33Å; N184-Q188 PolarHBondContact O-N 2.88Å
185A82.3Confident76.9Confident17 Ų1762.4 Ų62.414%0.1433%0.333CS..Hα-helixtrans-62.3-41.917600000111.8N181 L182 S187 Q188 A189N181-A185 PolarHBondContact O-N 2.87Å; L182-A185 PolarHBondContact O-N 2.84Å; A185-S187 PolarHBondContact O-N 3.21Å; A185-Q188 PolarHBondContact O-N 3.11Å; A185-A189 WeakPolarHBondContact O-CB 3.31Å; A185-A189 PolarHBondContact O-N 3.23Å
186L83.1Confident76Confident4 Ų463.3 Ų63.32%0.02134%0.342CS..Hα-helixtrans-70.3-29.2178.3-72.2179.7000113.6K155 L158 L159 I162 L182 A183 N184 L342K155-L186 WeakPolarHBondContact CE-O 3.14Å; K155-L186 PolarHBondContact NZ-O 3.26Å; L158-L186 HydrophobicContact CB-CD1 3.89Å; L158-L186 HydrophobicContact CD1-CD1 4.1Å; L159-L186 HydrophobicContact CD2-CB 4.3Å; L159-L186 HydrophobicContact CD2-CD1 4.15Å; L159-L186 HydrophobicContact CG-CD1 4.35Å; I162-L186 HydrophobicContact CD1-CD1 4.02Å; L182-L186 HydrophobicContact CD2-CD1 3.47Å; L182-L186 VanDerWaalsContact CD2-CD1 3.47Å; L182-L186 HydrophobicContact CD2-CG 3.92Å; L182-L186 WeakPolarHBondContact O-CB 3.48Å; L182-L186 WeakPolarHBondContact O-CG 3.33Å; L182-L186 PolarHBondContact O-N 2.91Å; A183-L186 PolarHBondContact O-N 3.13Å; N184-L186 VanDerWaalsContact C-N 3.35Å; N184-L186 PolarHBondContact O-N 3.02Å; L186-L342 HydrophobicContact CD2-CD2 3.88Å
187S79.1Confident75.1Confident72 Ų7264.8 Ų64.850%0.50336%0.356SS..Hα-helixtrans-78.6-37.2174.7640000111.6A183 N184 A185A183-S187 PolarHBondContact O-N 2.82Å; A183-S187 PolarHBondContact O-OG 2.96Å; N184-S187 WeakPolarHBondContact CA-OG 3.42Å; N184-S187 PolarHBondContact O-N 3.36Å; N184-S187 PolarHBondContact O-OG 3.42Å; A185-S187 PolarHBondContact O-N 3.21Å
188Q67.9Low74.4Confident119 Ų11966.8 Ų66.856%0.55637%0.367SS*.Hα-helixtrans-79.4-17.3179.1-71.4177.1-13.100114.5N184 A185 S190 I191N184-Q188 VanDerWaalsContact O-CB 3.25Å; N184-Q188 WeakPolarHBondContact O-CB 3.35Å; N184-Q188 VanDerWaalsContact O-CG 3.24Å; N184-Q188 WeakPolarHBondContact O-CG 3.33Å; N184-Q188 PolarHBondContact O-N 2.88Å; A185-Q188 PolarHBondContact O-N 3.11Å; Q188-S190 PolarHBondContact O-N 3.15Å; Q188-I191 PolarHBondContact O-N 3.03Å
189A55.6Low73.9Confident27 Ų2771.7 Ų71.722%0.22339%0.389CS..THydrogen-bonded Turntrans-58.66.6-178.800000115.8A185 Y345 N346A185-A189 WeakPolarHBondContact O-CB 3.31Å; A185-A189 PolarHBondContact O-N 3.23Å; A189-Y345 HydrophobicContact CB-CD1 4.35Å; A189-N346 PolarHBondContact O-ND2 3.36Å
190S49.1Very low73.4Confident88 Ų8871.8 Ų71.862%0.61539%0.39SS*.THydrogen-bonded Turntrans-80.7-13.4161.655.90000114Q188Q188-S190 PolarHBondContact O-N 3.15Å
191I46.6Very low73.2Confident117 Ų11768.6 Ų68.660%0.639%0.385SS*.SBendtrans-107.6129.4-173.7-56.1171.2000109Q188 E193Q188-I191 PolarHBondContact O-N 3.03Å; I191-E193 PolarHBondContact O-N 3.33Å
192L52.6Low73.1Confident154 Ų15469.8 Ų69.881%0.80639%0.392SS*.SBendtrans-54.87.1-169-79124.3000117.7
193E57.7Low73.2Confident164 Ų16470 Ų7077%0.76639%0.393SS*.PPolyproline II helixtrans-88.7127.4-176.5-72.2-172.7166.900112.1I191 I195I191-E193 PolarHBondContact O-N 3.33Å; E193-I195 PolarHBondContact O-N 3.13Å
194P64.1Low73.4Confident99 Ų9970.2 Ų70.264%0.64339%0.393SS*.PPolyproline II helixtrans-65.8130.5176.426.6-31.8000110.1S196P194-S196 PolarHBondContact O-N 3.07Å
195I72.2Confident73.8Confident26 Ų2667.9 Ų67.913%0.13338%0.382CS..PPolyproline II helixtrans-56.1125.3177.9-53.7173.6000108.9E193 Q199 I200 Y320 L342E193-I195 PolarHBondContact O-N 3.13Å; I195-Q199 HydrophobicContact CG2-CB 3.77Å; I195-I200 HydrophobicContact CB-CD1 4.12Å; I195-I200 HydrophobicContact CB-CG1 4.26Å; I195-I200 HydrophobicContact CG2-CD1 4.03Å; I195-I200 HydrophobicContact CG2-CG1 3.6Å; I195-Y320 PolarHBondContact O-OH 3.31Å; I195-L342 HydrophobicContact CD1-CB 4.47Å
196S73Confident74.3Confident46 Ų4667 Ų6732%0.32238%0.375SS..PPolyproline II helixtrans-64.3152.5-177.7940000111.3P194 E198 Q199 I200P194-S196 PolarHBondContact O-N 3.07Å; S196-E198 PolarHBondContact O-N 2.57Å; S196-E198 PolarHBondContact OG-N 3.28Å; S196-Q199 WeakPolarHBondContact O-CB 3.21Å; S196-Q199 PolarHBondContact O-N 3.19Å; S196-Q199 VanDerWaalsContact O-N 3.15Å; S196-Q199 WeakPolarHBondContact OG-CG 3.4Å; S196-Q199 PolarHBondContact OG-N 3.25Å; S196-Q199 VanDerWaalsContact OG-N 3.16Å; S196-I200 PolarHBondContact O-N 3.37Å; S196-I200 VanDerWaalsContact O-N 3.12Å
197A73.7Confident74.9Confident44 Ų4467.2 Ų67.236%0.36438%0.376SS..Hα-helixtrans-57.9-34.5177.500000112.3I200 C201 L324 L327A197-I200 PolarHBondContact O-N 3.36Å; A197-C201 PolarHBondContact O-N 2.81Å; A197-L324 HydrophobicContact CB-CD2 4Å; A197-L327 HydrophobicContact CB-CD1 4.19Å
198E76.7Confident75.5Confident160 Ų16069.8 Ų69.875%0.74838%0.378SS*.Hα-helixtrans-67.5-44.1177-61.4177.917800111.7S196 I200 C201 D202S196-E198 PolarHBondContact O-N 2.57Å; S196-E198 PolarHBondContact OG-N 3.28Å; E198-I200 PolarHBondContact O-N 3.3Å; E198-C201 PolarHBondContact O-N 3.48Å; E198-D202 PolarHBondContact O-N 3.4Å
199Q81.8Confident76.6Confident104 Ų10464.5 Ų64.549%0.48636%0.355SS..Hα-helixtrans-59.1-34.8174.9-73173.9-16.700111.3I195 S196 D202 L203I195-Q199 HydrophobicContact CG2-CB 3.77Å; S196-Q199 WeakPolarHBondContact O-CB 3.21Å; S196-Q199 PolarHBondContact O-N 3.19Å; S196-Q199 VanDerWaalsContact O-N 3.15Å; S196-Q199 WeakPolarHBondContact OG-CG 3.4Å; S196-Q199 PolarHBondContact OG-N 3.25Å; S196-Q199 VanDerWaalsContact OG-N 3.16Å; Q199-D202 WeakPolarHBondContact O-CB 3.35Å; Q199-D202 PolarHBondContact O-N 3.19Å; Q199-L203 WeakPolarHBondContact O-CG 3.35Å
200I83.1Confident78.4Confident2 Ų263.3 Ų63.31%0.0135%0.345CS..Hα-helixtrans-70.5-39.1-180-76.7174.5000112.6I195 S196 A197 E198 D202 L203 L324 F335 L343I195-I200 HydrophobicContact CB-CD1 4.12Å; I195-I200 HydrophobicContact CB-CG1 4.26Å; I195-I200 HydrophobicContact CG2-CD1 4.03Å; I195-I200 HydrophobicContact CG2-CG1 3.6Å; S196-I200 PolarHBondContact O-N 3.37Å; S196-I200 VanDerWaalsContact O-N 3.12Å; A197-I200 PolarHBondContact O-N 3.36Å; E198-I200 PolarHBondContact O-N 3.3Å; I200-D202 PolarHBondContact O-N 2.85Å; I200-L203 WeakPolarHBondContact O-CB 3.3Å; I200-L203 PolarHBondContact O-N 2.89Å; I200-L324 HydrophobicContact CB-CD2 4.11Å; I200-L324 HydrophobicContact CD1-CB 4.39Å; I200-L324 HydrophobicContact CD1-CD1 3.29Å; I200-L324 HydrophobicContact CD1-CD2 3.34Å; I200-L324 HydrophobicContact CD1-CG 3.79Å; I200-L324 HydrophobicContact CG1-CD2 4.25Å; I200-L324 HydrophobicContact CG2-CD2 4.13Å; I200-F335 HydrophobicContact CG2-CE2 3.72Å; I200-F335 HydrophobicContact CG2-CZ 3.37Å; I200-L343 HydrophobicContact CD1-CD2 4.36Å
201C85.6Confident80.5Confident53 Ų5359.1 Ų59.136%0.35832%0.316SS..Hα-helixtrans-55.9-39173.8-74.40000111.6A197 E198 L203 I204A197-C201 PolarHBondContact O-N 2.81Å; E198-C201 PolarHBondContact O-N 3.48Å; C201-L203 PolarHBondContact O-N 3.43Å; C201-I204 PolarHBondContact O-N 2.96Å
202D88.5Confident82.8Confident73 Ų7354.2 Ų54.239%0.3929%0.292SS..THydrogen-bonded Turntrans-66.6-18.6176.7-79.4-4.5000113.5S178 E198 Q199 I200S178-D202 WeakPolarHBondContact CA-O 3.3Å; S178-D202 WeakPolarHBondContact CB-O 3.35Å; S178-D202 PolarHBondContact OG-O 2.97Å; E198-D202 PolarHBondContact O-N 3.4Å; Q199-D202 WeakPolarHBondContact O-CB 3.35Å; Q199-D202 PolarHBondContact O-N 3.19Å; I200-D202 PolarHBondContact O-N 2.85Å
203L90.8Very high84.7Confident3 Ų347.1 Ų47.12%0.01626%0.255CS..THydrogen-bonded Turntrans-86.2-22.3179-54.7-174.4000113.4S178 N181 L182 Q199 I200 C201 P205 A206 F207S178-L203 VanDerWaalsContact OG-CA 3.28Å; S178-L203 WeakPolarHBondContact OG-CA 3.33Å; S178-L203 PolarHBondContact OG-O 2.76Å; N181-L203 HydrophobicContact CB-CD2 3.76Å; L182-L203 HydrophobicContact CB-CD2 3.95Å; L182-L203 HydrophobicContact CG-CD2 4.49Å; Q199-L203 WeakPolarHBondContact O-CG 3.35Å; I200-L203 WeakPolarHBondContact O-CB 3.3Å; I200-L203 PolarHBondContact O-N 2.89Å; C201-L203 PolarHBondContact O-N 3.43Å; L203-P205 VanDerWaalsContact C-CD 3.48Å; L203-A206 PolarHBondContact O-N 3.48Å; L203-F207 HydrophobicContact CB-CE2 4.34Å; L203-F207 VanDerWaalsContact O-CD2 3.23Å; L203-F207 WeakPolarHBondContact O-CD2 3.34Å
204I92.6Very high86.3Confident16 Ų1642.7 Ų42.78%0.08223%0.234CC..Hα-helixtrans-57-43.3-174.2-62.4170.9000112.9C201 A206 F207 K208 A328 F335C201-I204 PolarHBondContact O-N 2.96Å; I204-A206 VanDerWaalsContact C-N 3.28Å; I204-A206 PolarHBondContact O-N 2.93Å; I204-F207 PolarHBondContact O-N 2.88Å; I204-K208 HydrophobicContact CG2-CD 4.48Å; I204-K208 PolarHBondContact O-N 3.44Å; I204-A328 HydrophobicContact CD1-CB 3.87Å; I204-A328 HydrophobicContact CG1-CB 4.37Å; I204-F335 HydrophobicContact CG1-CD1 4.49Å; I204-F335 HydrophobicContact CG1-CD2 4.34Å; I204-F335 HydrophobicContact CG1-CE2 4.4Å; I204-F335 HydrophobicContact CG1-CG 4.39Å
205P94Very high87.7Confident37 Ų3742.8 Ų42.824%0.2423%0.226CC..Hα-helixtrans-56.6-36.7-178.5-27.135.5000114.3I175 L203 F207 K208 G209I175-P205 HydrophobicContact CG1-CB 4.24Å; L203-P205 VanDerWaalsContact C-CD 3.48Å; P205-F207 VanDerWaalsContact C-N 3.25Å; P205-F207 PolarHBondContact O-N 3.39Å; P205-K208 PolarHBondContact O-N 2.95Å; P205-K208 VanDerWaalsContact O-N 3.12Å; P205-G209 PolarHBondContact O-N 2.88Å
206A93.7Very high88.7Confident0 Ų041.5 Ų41.50%022%0.22CC..Hα-helixtrans-59.2-36.8177.400000112.6S178 L179 L182 L203 I204 K208 G209 P210 L211S178-A206 WeakPolarHBondContact OG-CB 3.49Å; S178-A206 PolarHBondContact OG-N 3.25Å; L179-A206 HydrophobicContact CD2-CB 3.76Å; L179-A206 HydrophobicContact CG-CB 4.13Å; L182-A206 HydrophobicContact CD1-CB 4.31Å; L203-A206 PolarHBondContact O-N 3.48Å; I204-A206 VanDerWaalsContact C-N 3.28Å; I204-A206 PolarHBondContact O-N 2.93Å; A206-K208 VanDerWaalsContact C-N 3.32Å; A206-K208 PolarHBondContact O-N 3.48Å; A206-G209 PolarHBondContact O-N 3.29Å; A206-P210 WeakPolarHBondContact O-CD 3.25Å; A206-L211 HydrophobicContact CB-CD1 4.14Å; A206-L211 WeakPolarHBondContact O-CB 3.44Å; A206-L211 PolarHBondContact O-N 3.09Å; A206-L211 VanDerWaalsContact O-N 3.15Å
207F94.8Very high89.6Confident8 Ų841.9 Ų41.94%0.03522%0.218CC..Hα-helixtrans-75.4-16178.9-66.3-76.2000114.6L182 L203 I204 P205 L211 S212 F335 H338 L342L182-F207 HydrophobicContact CD1-CD2 4.38Å; L182-F207 HydrophobicContact CD1-CE1 4.43Å; L182-F207 HydrophobicContact CD1-CE2 3.46Å; L182-F207 VanDerWaalsContact CD1-CE2 3.46Å; L182-F207 HydrophobicContact CD1-CZ 3.5Å; L203-F207 HydrophobicContact CB-CE2 4.34Å; L203-F207 VanDerWaalsContact O-CD2 3.23Å; L203-F207 WeakPolarHBondContact O-CD2 3.34Å; I204-F207 PolarHBondContact O-N 2.88Å; P205-F207 VanDerWaalsContact C-N 3.25Å; P205-F207 PolarHBondContact O-N 3.39Å; F207-L211 HydrophobicContact CD1-CB 3.85Å; F207-L211 HydrophobicContact CD1-CD1 4.17Å; F207-L211 HydrophobicContact CE1-CB 4.34Å; F207-L211 HydrophobicContact CE1-CD1 3.98Å; F207-L211 HydrophobicContact CG-CB 4.47Å; F207-L211 HydrophobicContact CZ-CD1 4.37Å; F207-S212 WeakPolarHBondContact O-CA 3.46Å; F207-S212 PolarHBondContact O-N 2.79Å; F207-F335 HydrophobicContact CB-CB 3.76Å; F207-F335 HydrophobicContact CD1-CB 4.35Å; F207-F335 HydrophobicContact CD2-CB 3.72Å; F207-F335 AromaticContact CD2-CD2 3.68Å; F207-F335 HydrophobicContact CD2-CD2 3.68Å; F207-F335 HydrophobicContact CD2-CG 4.18Å; F207-F335 HydrophobicContact CE2-CB 4.39Å; F207-F335 AromaticContact CE2-CD2 3.7Å; F207-F335 HydrophobicContact CE2-CD2 3.7Å; F207-F335 HydrophobicContact CG-CB 3.68Å; F207-F335 HydrophobicContact CG-CD2 4.47Å; F207-F335 HydrophobicContact CZ-CD2 4.49Å; F207-H338 AromaticContact CD1-ND1 3.9Å; F207-H338 HydrophobicContact CE1-CB 3.67Å; F207-H338 AromaticContact CE1-CG 3.58Å; F207-H338 AromaticContact CE1-ND1 3.47Å; F207-H338 WeakPolarHBondContact CE1-ND1 3.25Å; F207-H338 HydrophobicContact CZ-CB 3.93Å; F207-L342 HydrophobicContact CE2-CD1 4.42Å; F207-L342 HydrophobicContact CZ-CD1 4.14Å
208K91.5Very high90.4Very high126 Ų12642.9 Ų42.955%0.54822%0.219SC..Hα-helixtrans-85.8-24.3170.9-67.6176.5175.7170.60112.5I204 P205 A206 D332I204-K208 HydrophobicContact CG2-CD 4.48Å; I204-K208 PolarHBondContact O-N 3.44Å; P205-K208 PolarHBondContact O-N 2.95Å; P205-K208 VanDerWaalsContact O-N 3.12Å; A206-K208 VanDerWaalsContact C-N 3.32Å; A206-K208 PolarHBondContact O-N 3.48Å; K208-D332 WeakPolarHBondContact CE-OD1 3.23Å; K208-D332 WeakPolarHBondContact CE-OD2 3.28Å; K208-D332 IonicContact NZ-OD1 3.6Å; K208-D332 IonicContact NZ-OD2 3.42Å; K208-D332 PolarHBondContact NZ-OD2 2.98Å
209G90.8Very high91.1Very high7 Ų737.5 Ų37.57%0.07220%0.2CC..THydrogen-bonded Turntrans-99.2-113.3179.900000112.8P205 A206 L211 S212 Q215P205-G209 PolarHBondContact O-N 2.88Å; A206-G209 PolarHBondContact O-N 3.29Å; G209-L211 PolarHBondContact O-N 3.34Å; G209-S212 VanDerWaalsContact O-CB 3.28Å; G209-S212 WeakPolarHBondContact O-CB 3.48Å; G209-S212 PolarHBondContact O-N 2.93Å; G209-S212 PolarHBondContact O-OG 3.34Å; G209-Q215 PolarHBondContact O-NE2 3.36Å; G209-Q215 PolarHBondContact O-OE1 3.02Å
210P93.1Very high91.7Very high3 Ų332.5 Ų32.52%0.01918%0.176CC..THydrogen-bonded Turntrans-61.2-28.1-173.426.8-36.5000114.4I161 S165 Y171 I175 L179 A206 S212I161-P210 HydrophobicContact CG2-CB 3.96Å; S165-P210 WeakPolarHBondContact OG-CB 3.41Å; Y171-P210 HydrophobicContact CE1-CB 4.35Å; Y171-P210 HydrophobicContact CE2-CB 4.19Å; I175-P210 HydrophobicContact CG2-CG 4.36Å; L179-P210 HydrophobicContact CD1-CG 3.94Å; L179-P210 HydrophobicContact CD2-CG 3.78Å; L179-P210 HydrophobicContact CG-CG 4.26Å; A206-P210 WeakPolarHBondContact O-CD 3.25Å; P210-S212 VanDerWaalsContact C-N 3.33Å
211L94.5Very high92.2Very high0 Ų032.4 Ų32.40%018%0.176CC..THydrogen-bonded Turntrans-93.912.1-179.7-60.2175.7000112.7L158 I161 L179 L182 A206 F207 G209 L216 S334L158-L211 HydrophobicContact CD2-CD1 4.05Å; L158-L211 HydrophobicContact CD2-CD2 3.55Å; L158-L211 HydrophobicContact CD2-CG 4.4Å; I161-L211 HydrophobicContact CB-CD2 4.01Å; I161-L211 HydrophobicContact CD1-CD2 4.05Å; I161-L211 HydrophobicContact CG2-CD2 3.67Å; L179-L211 HydrophobicContact CD2-CD1 4.41Å; L182-L211 HydrophobicContact CD1-CD1 3.9Å; A206-L211 HydrophobicContact CB-CD1 4.14Å; A206-L211 WeakPolarHBondContact O-CB 3.44Å; A206-L211 PolarHBondContact O-N 3.09Å; A206-L211 VanDerWaalsContact O-N 3.15Å; F207-L211 HydrophobicContact CD1-CB 3.85Å; F207-L211 HydrophobicContact CD1-CD1 4.17Å; F207-L211 HydrophobicContact CE1-CB 4.34Å; F207-L211 HydrophobicContact CE1-CD1 3.98Å; F207-L211 HydrophobicContact CG-CB 4.47Å; F207-L211 HydrophobicContact CZ-CD1 4.37Å; G209-L211 PolarHBondContact O-N 3.34Å; L211-L216 HydrophobicContact CD2-CD2 4.43Å; L211-S334 VanDerWaalsContact O-CB 3.23Å; L211-S334 WeakPolarHBondContact O-CB 3.27Å; L211-S334 PolarHBondContact O-OG 2.89Å
212S94.1Very high92.5Very high14 Ų1431.5 Ų31.510%0.09817%0.172CC..SBendtrans-62144.8172.357.20000111.3F207 G209 P210 E214 Q215 L216F207-S212 WeakPolarHBondContact O-CA 3.46Å; F207-S212 PolarHBondContact O-N 2.79Å; G209-S212 VanDerWaalsContact O-CB 3.28Å; G209-S212 WeakPolarHBondContact O-CB 3.48Å; G209-S212 PolarHBondContact O-N 2.93Å; G209-S212 PolarHBondContact O-OG 3.34Å; P210-S212 VanDerWaalsContact C-N 3.33Å; S212-E214 PolarHBondContact O-N 3.06Å; S212-Q215 PolarHBondContact O-N 3.09Å; S212-Q215 VanDerWaalsContact OG-CG 3.3Å; S212-Q215 WeakPolarHBondContact OG-CG 3.34Å; S212-Q215 PolarHBondContact OG-NE2 2.96Å; S212-L216 WeakPolarHBondContact O-CG 3.4Å; S212-L216 PolarHBondContact O-N 3.45Å
213L93.5Very high92.8Very high4 Ų428.4 Ų28.42%0.02116%0.156CC..THydrogen-bonded Turntrans-57.1-29.1-174.6-68.6-180000112.9Q215 L216 L221 L224 I259 L262 K263 F333 L337L213-Q215 VanDerWaalsContact C-N 3.34Å; L213-L216 HydrophobicContact CD2-CD1 3.98Å; L213-L221 HydrophobicContact CD2-CD2 4.16Å; L213-L224 HydrophobicContact CD2-CD1 4.19Å; L213-I259 HydrophobicContact CB-CG1 4.46Å; L213-I259 HydrophobicContact CB-CG2 4.27Å; L213-I259 WeakPolarHBondContact O-CD1 3.36Å; L213-L262 HydrophobicContact CD1-CB 4.38Å; L213-K263 HydrophobicContact CD1-CG 3.72Å; L213-F333 HydrophobicContact CD1-CB 3.73Å; L213-L337 HydrophobicContact CD1-CD1 3.9Å; L213-L337 HydrophobicContact CD2-CD1 3.89Å; L213-L337 HydrophobicContact CG-CD1 4.46Å
214E91.2Very high92.9Very high71 Ų7128.2 Ų28.233%0.33216%0.156SC..THydrogen-bonded Turntrans-69.1-32.2179.1-65.472.8-16100112.6S212 K255 K263S212-E214 PolarHBondContact O-N 3.06Å; E214-K255 WeakPolarHBondContact O-CE 3.45Å; E214-K255 PolarHBondContact O-NZ 3.34Å; E214-K263 WeakPolarHBondContact OE1-CE 3.46Å; E214-K263 IonicContact OE1-NZ 2.62Å; E214-K263 PolarHBondContact OE1-NZ 2.92Å
215Q91.9Very high93Very high101 Ų10127.6 Ų27.647%0.47215%0.153SC..THydrogen-bonded Turntrans-87.2-24-177.7-64.9-175.428.700112.3Y171 G209 S212 L213Y171-Q215 PolarHBondContact OH-OE1 3.32Å; G209-Q215 PolarHBondContact O-NE2 3.36Å; G209-Q215 PolarHBondContact O-OE1 3.02Å; S212-Q215 PolarHBondContact O-N 3.09Å; S212-Q215 VanDerWaalsContact OG-CG 3.3Å; S212-Q215 WeakPolarHBondContact OG-CG 3.34Å; S212-Q215 PolarHBondContact OG-NE2 2.96Å; L213-Q215 VanDerWaalsContact C-N 3.34Å
216L93.6Very high92.9Very high0 Ų032 Ų320%017%0.165CC..SBendtrans-62.2146.5177.8-60.4178.4000112.8I161 L211 S212 L213 H220 L221 L224 K255I161-L216 HydrophobicContact CD1-CD2 3.72Å; L211-L216 HydrophobicContact CD2-CD2 4.43Å; S212-L216 WeakPolarHBondContact O-CG 3.4Å; S212-L216 PolarHBondContact O-N 3.45Å; L213-L216 HydrophobicContact CD2-CD1 3.98Å; L216-H220 HydrophobicContact CB-CB 4.39Å; L216-L221 HydrophobicContact CB-CD2 4.07Å; L216-L221 HydrophobicContact CB-CG 4.09Å; L216-L221 HydrophobicContact CD1-CD2 4.18Å; L216-L224 HydrophobicContact CD1-CD1 3.95Å; L216-K255 VanDerWaalsContact O-CE 3.27Å; L216-K255 WeakPolarHBondContact O-CE 3.47Å; L216-K255 PolarHBondContact O-NZ 3.17Å
217D91.9Very high92.9Very high54 Ų5432 Ų3229%0.28917%0.165SC..  trans-78.5165.5176.981.6-82.6000112.2K157 S219 H220 L221K157-D217 IonicContact NZ-OD1 3.7Å; K157-D217 PolarHBondContact NZ-OD1 3.45Å; K157-D217 IonicContact NZ-OD2 3.92Å; K157-D217 PolarHBondContact NZ-OD2 2.97Å; D217-S219 VanDerWaalsContact C-N 3.3Å; D217-S219 PolarHBondContact O-N 3.31Å; D217-S219 WeakPolarHBondContact OD2-CB 3.31Å; D217-S219 PolarHBondContact OD2-N 3.5Å; D217-S219 PolarHBondContact OD2-OG 3.49Å; D217-H220 PolarHBondContact O-N 3.25Å; D217-H220 VanDerWaalsContact OD1-CB 3.31Å; D217-H220 WeakPolarHBondContact OD1-CB 3.41Å; D217-H220 PolarHBondContact OD2-N 3.47Å; D217-L221 WeakPolarHBondContact O-CG 3.35Å; D217-L221 PolarHBondContact O-N 3.28Å
218T90.2Very high92.9Very high64 Ų6432.1 Ų32.139%0.39317%0.165SC..Hα-helixtrans-63.4-33.8-17448.40000113.5A222 K255T218-A222 WeakPolarHBondContact O-CB 3.3Å; T218-A222 PolarHBondContact O-N 3.03Å; T218-K255 HydrophobicContact CG2-CB 4.06Å; T218-K255 HydrophobicContact CG2-CD 4.45Å
219S91.8Very high92.8Very high47 Ų4728.2 Ų28.233%0.32916%0.16SC..Hα-helixtrans-76.9-34.8-179.566.90000111.7K157 D217 A222 A223K157-S219 WeakPolarHBondContact CE-OG 3.43Å; K157-S219 PolarHBondContact NZ-OG 3.2Å; D217-S219 VanDerWaalsContact C-N 3.3Å; D217-S219 PolarHBondContact O-N 3.31Å; D217-S219 WeakPolarHBondContact OD2-CB 3.31Å; D217-S219 PolarHBondContact OD2-N 3.5Å; D217-S219 PolarHBondContact OD2-OG 3.49Å; S219-A222 PolarHBondContact O-N 3.17Å; S219-A223 WeakPolarHBondContact O-CB 3.16Å; S219-A223 PolarHBondContact O-N 3.33Å
220H94.7Very high92.7Very high0 Ų028.6 Ų28.60%016%0.161CC..Hα-helixtrans-61.4-47.7169.8-162119.9000111.5L154 K157 L216 D217 A222 A223 L224 H338L154-H220 WeakPolarHBondContact CD2-NE2 3.49Å; K157-H220 WeakPolarHBondContact CB-ND1 2.94Å; K157-H220 HydrophobicContact CD-CB 4.02Å; L216-H220 HydrophobicContact CB-CB 4.39Å; D217-H220 PolarHBondContact O-N 3.25Å; D217-H220 VanDerWaalsContact OD1-CB 3.31Å; D217-H220 WeakPolarHBondContact OD1-CB 3.41Å; D217-H220 PolarHBondContact OD2-N 3.47Å; H220-A222 VanDerWaalsContact C-N 3.29Å; H220-A222 PolarHBondContact O-N 3.42Å; H220-A223 PolarHBondContact O-N 2.95Å; H220-A223 VanDerWaalsContact O-N 3.16Å; H220-L224 PolarHBondContact O-N 2.57Å; H220-H338 AromaticContact CD2-NE2 3.91Å; H220-H338 AromaticContact CE1-NE2 3.76Å; H220-H338 AromaticContact NE2-CD2 3.97Å; H220-H338 AromaticContact NE2-CE1 3.76Å; H220-H338 AromaticContact NE2-NE2 2.89Å; H220-H338 PolarHBondContact NE2-NE2 2.97Å
221L93.9Very high91.8Very high0 Ų031 Ų310%018%0.178CC..Hα-helixtrans-62.3-37.7177.8-67.7169.7000112.1L213 L216 D217 L224 C225 K255 R258 I259 L262L213-L221 HydrophobicContact CD2-CD2 4.16Å; L216-L221 HydrophobicContact CB-CD2 4.07Å; L216-L221 HydrophobicContact CB-CG 4.09Å; L216-L221 HydrophobicContact CD1-CD2 4.18Å; D217-L221 WeakPolarHBondContact O-CG 3.35Å; D217-L221 PolarHBondContact O-N 3.28Å; L221-L224 PolarHBondContact O-N 3.34Å; L221-C225 PolarHBondContact O-N 2.72Å; L221-C225 PolarHBondContact O-SG 2.94Å; L221-K255 HydrophobicContact CD1-CD 4.3Å; L221-K255 HydrophobicContact CD1-CG 3.74Å; L221-R258 HydrophobicContact CB-CB 4.2Å; L221-I259 HydrophobicContact CD1-CD1 4.17Å; L221-I259 HydrophobicContact CD1-CG1 3.8Å; L221-I259 HydrophobicContact CD2-CG1 4.09Å; L221-L262 HydrophobicContact CB-CD1 4.4Å; L221-L262 HydrophobicContact CD2-CD1 3.76Å
222A91.9Very high90.2Very high34 Ų3436.7 Ų36.728%0.28121%0.207SC..Hα-helixtrans-64.7-41.9174.300000111.9T218 S219 H220 C225 R226T218-A222 WeakPolarHBondContact O-CB 3.3Å; T218-A222 PolarHBondContact O-N 3.03Å; S219-A222 PolarHBondContact O-N 3.17Å; H220-A222 VanDerWaalsContact C-N 3.29Å; H220-A222 PolarHBondContact O-N 3.42Å; A222-C225 WeakPolarHBondContact O-CB 3.41Å; A222-C225 PolarHBondContact O-N 3.18Å; A222-R226 PolarHBondContact O-N 3.04Å
223A93.5Very high88.6Confident7 Ų744.1 Ų44.16%0.05823%0.234CC..Hα-helixtrans-65-39.1176.200000112T150 L153 L154 S219 H220 R226 L227T150-A223 HydrophobicContact CG2-CB 4.15Å; L153-A223 HydrophobicContact CD2-CB 4.03Å; L154-A223 HydrophobicContact CD1-CB 4.24Å; L154-A223 HydrophobicContact CD2-CB 3.68Å; L154-A223 HydrophobicContact CG-CB 3.71Å; S219-A223 WeakPolarHBondContact O-CB 3.16Å; S219-A223 PolarHBondContact O-N 3.33Å; H220-A223 PolarHBondContact O-N 2.95Å; H220-A223 VanDerWaalsContact O-N 3.16Å; A223-R226 PolarHBondContact O-N 2.8Å; A223-L227 WeakPolarHBondContact O-CB 3.3Å; A223-L227 PolarHBondContact O-N 3.33Å
224L95Very high86.9Confident0 Ų045 Ų450%024%0.24CC..Hα-helixtrans-62.7-42.6171.6-74.8177000112.2L154 L213 L216 H220 L221 R226 L227 H228 L262 L337L154-L224 HydrophobicContact CD1-CD2 4.34Å; L154-L224 HydrophobicContact CD2-CD2 4.01Å; L154-L224 HydrophobicContact CD2-CG 3.98Å; L213-L224 HydrophobicContact CD2-CD1 4.19Å; L216-L224 HydrophobicContact CD1-CD1 3.95Å; H220-L224 PolarHBondContact O-N 2.57Å; L221-L224 PolarHBondContact O-N 3.34Å; L224-R226 VanDerWaalsContact C-N 3.27Å; L224-R226 PolarHBondContact O-N 2.98Å; L224-L227 HydrophobicContact CD2-CD2 4.48Å; L224-L227 PolarHBondContact O-N 3.42Å; L224-H228 PolarHBondContact O-CD2 3.39Å; L224-H228 VanDerWaalsContact O-CD2 3.28Å; L224-H228 PolarHBondContact O-N 3.31Å; L224-H228 VanDerWaalsContact O-N 3.09Å; L224-L262 HydrophobicContact CB-CD1 4.11Å; L224-L262 HydrophobicContact CB-CD2 3.95Å; L224-L262 HydrophobicContact CD1-CD1 4.45Å; L224-L337 HydrophobicContact CD2-CB 4.46Å
225C93.6Very high85.1Confident3 Ų343.8 Ų43.82%0.0223%0.233CC..Hα-helixtrans-59.1-43.2175.3-67.90000110.8L221 A222 H228 G229 L230 Y235L221-C225 PolarHBondContact O-N 2.72Å; L221-C225 PolarHBondContact O-SG 2.94Å; A222-C225 WeakPolarHBondContact O-CB 3.41Å; A222-C225 PolarHBondContact O-N 3.18Å; C225-H228 CarbonylContact O-C 3.52Å; C225-H228 PolarHBondContact O-N 2.97Å; C225-G229 PolarHBondContact O-N 3.07Å; C225-G229 VanDerWaalsContact O-N 3.15Å; C225-L230 HydrophobicContact CB-CB 4.17Å; C225-L230 WeakPolarHBondContact O-CB 3.36Å; C225-L230 PolarHBondContact O-N 3.25Å; C225-Y235 PolarHBondContact SG-OH 3.2Å
226R92.7Very high83.3Confident130 Ų13044 Ų4449%0.49124%0.236SC..Hα-helixtrans-64.1-45176.9-176.3167.6178153.70.7112.4D144 R145 D147 T150 A222 A223 L224 H228 G229D144-R226 PolarHBondContact O-NE 2.84Å; R145-R226 WeakPolarHBondContact CG-O 3.44Å; D147-R226 IonicContact OD2-CZ 2.84Å; D147-R226 IonicContact OD2-NE 3.72Å; D147-R226 IonicContact OD2-NH2 2.88Å; T150-R226 HydrophobicContact CG2-CB 4.29Å; T150-R226 HydrophobicContact CG2-CG 4.28Å; T150-R226 VanDerWaalsContact OG1-CD 3.27Å; T150-R226 WeakPolarHBondContact OG1-CD 3.44Å; T150-R226 PolarHBondContact OG1-NE 3.44Å; A222-R226 PolarHBondContact O-N 3.04Å; A223-R226 PolarHBondContact O-N 2.8Å; L224-R226 VanDerWaalsContact C-N 3.27Å; L224-R226 PolarHBondContact O-N 2.98Å; R226-H228 PolarHBondContact O-N 3.5Å; R226-G229 PolarHBondContact O-N 3.19Å
227L93.5Very high81.2Confident0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-56.8-34.7176.6-175.567.9000112.1R145 F146 L154 A223 L224 P340 L341R145-L227 VanDerWaalsContact CZ-O 3.29Å; R145-L227 PolarHBondContact NE-O 2.78Å; R145-L227 PolarHBondContact NH2-O 3.42Å; F146-L227 HydrophobicContact CD1-CD1 3.88Å; F146-L227 HydrophobicContact CE1-CD1 3.7Å; F146-L227 HydrophobicContact CE2-CD1 4.43Å; F146-L227 HydrophobicContact CG-CD1 4.28Å; F146-L227 HydrophobicContact CZ-CD1 3.97Å; L154-L227 HydrophobicContact CD1-CB 4.32Å; L154-L227 HydrophobicContact CD1-CD2 3.97Å; A223-L227 WeakPolarHBondContact O-CB 3.3Å; A223-L227 PolarHBondContact O-N 3.33Å; L224-L227 HydrophobicContact CD2-CD2 4.48Å; L224-L227 PolarHBondContact O-N 3.42Å; L227-P340 HydrophobicContact CD2-CB 4.19Å; L227-P340 HydrophobicContact CD2-CG 4.1Å; L227-P340 HydrophobicContact CG-CB 4.37Å; L227-P340 HydrophobicContact CG-CG 4.42Å; L227-L341 HydrophobicContact CD2-CB 4.23Å
228H93.8Very high79.1Confident9 Ų946.2 Ų46.24%0.04224%0.243CC..THydrogen-bonded Turntrans-92.86.6178-73.1-73.4000114.4L224 C225 R226 L230 H265 L337 P340L224-H228 PolarHBondContact O-CD2 3.39Å; L224-H228 VanDerWaalsContact O-CD2 3.28Å; L224-H228 PolarHBondContact O-N 3.31Å; L224-H228 VanDerWaalsContact O-N 3.09Å; C225-H228 CarbonylContact O-C 3.52Å; C225-H228 PolarHBondContact O-N 2.97Å; R226-H228 PolarHBondContact O-N 3.5Å; H228-L230 HydrophobicContact CB-CD1 3.87Å; H228-L230 HydrophobicContact CB-CG 3.82Å; H228-L230 PolarHBondContact O-N 3.01Å; H228-H265 AromaticContact CG-CD2 3.7Å; H228-H265 AromaticContact CG-NE2 3.64Å; H228-H265 AromaticContact ND1-CD2 3.67Å; H228-H265 AromaticContact ND1-NE2 3.22Å; H228-H265 PolarHBondContact ND1-NE2 3.13Å; H228-L337 WeakPolarHBondContact NE2-CA 3.35Å; H228-L337 PolarHBondContact NE2-O 3.02Å; H228-P340 VanDerWaalsContact CE1-CG 3.41Å; H228-P340 WeakPolarHBondContact CE1-CG 3.44Å
229G90Very high77.2Confident44 Ų4450 Ų5045%0.45426%0.258SS..THydrogen-bonded Turntrans6423.4-179.800000113.8C225 R226 S231C225-G229 PolarHBondContact O-N 3.07Å; C225-G229 VanDerWaalsContact O-N 3.15Å; R226-G229 PolarHBondContact O-N 3.19Å; G229-S231 PolarHBondContact O-N 3.36Å
230L89.2Confident75Confident15 Ų1552.9 Ų52.98%0.07927%0.27CS..  trans-8394.1-179.4-55.9174.2000108.6C225 H228 V261 L262 H265C225-L230 HydrophobicContact CB-CB 4.17Å; C225-L230 WeakPolarHBondContact O-CB 3.36Å; C225-L230 PolarHBondContact O-N 3.25Å; H228-L230 HydrophobicContact CB-CD1 3.87Å; H228-L230 HydrophobicContact CB-CG 3.82Å; H228-L230 PolarHBondContact O-N 3.01Å; L230-V261 HydrophobicContact CB-CG1 4.22Å; L230-V261 HydrophobicContact CD1-CG1 3.93Å; L230-V261 HydrophobicContact CG-CG1 4.45Å; L230-L262 HydrophobicContact CD1-CD2 3.86Å; L230-H265 HydrophobicContact CD1-CB 3.87Å; L230-H265 HydrophobicContact CD2-CB 4.22Å
231S72.6Confident72.8Confident54 Ų5455.8 Ų55.838%0.37829%0.288SS..  trans-74.6166.5179.871.40000112.8G229 Y233 S234G229-S231 PolarHBondContact O-N 3.36Å; S231-Y233 PolarHBondContact O-N 3.47Å; S231-S234 WeakPolarHBondContact O-CA 3.47Å; S231-S234 WeakPolarHBondContact O-CB 3.23Å; S231-S234 PolarHBondContact O-N 2.9Å; S231-S234 PolarHBondContact O-OG 3.37Å
232I61.3Low70.5Confident119 Ų11963 Ų6361%0.6133%0.326SS*.THydrogen-bonded Turntrans-57.1-31.9176.6-100.1157.8000113.2S234 Y235 I236I232-S234 PolarHBondContact O-N 3.32Å; I232-Y235 HydrophobicContact CB-CD2 4.09Å; I232-Y235 HydrophobicContact CB-CE2 4.35Å; I232-Y235 HydrophobicContact CG1-CD2 3.67Å; I232-Y235 HydrophobicContact CG1-CE2 3.69Å; I232-Y235 WeakPolarHBondContact O-CA 3.47Å; I232-Y235 VanDerWaalsContact O-CB 3.29Å; I232-Y235 WeakPolarHBondContact O-CB 3.33Å; I232-Y235 VanDerWaalsContact O-CD2 3.29Å; I232-Y235 WeakPolarHBondContact O-CD2 3.38Å; I232-Y235 PolarHBondContact O-N 2.91Å; I232-I236 HydrophobicContact CG2-CD1 4.34Å; I232-I236 PolarHBondContact O-N 3.32Å
233Y60.1Low68.3Low171 Ų17167.8 Ų67.867%0.67135%0.346SS*.Hα-helixtrans-62.7-23.3174.4-57-73.7000113S231 Y235 I236 W237S231-Y233 PolarHBondContact O-N 3.47Å; Y233-Y235 PolarHBondContact O-N 2.97Å; Y233-I236 HydrophobicContact CD1-CD1 4Å; Y233-I236 PolarHBondContact O-N 3.14Å; Y233-I236 VanDerWaalsContact O-N 3.13Å; Y233-W237 PolarHBondContact O-N 3.41Å
234S57.9Low66.2Low22 Ų2272.8 Ų72.815%0.15436%0.363CS..Hα-helixtrans-67.6-24.9171.2-52.90000112.3S231 I232S231-S234 WeakPolarHBondContact O-CA 3.47Å; S231-S234 WeakPolarHBondContact O-CB 3.23Å; S231-S234 PolarHBondContact O-N 2.9Å; S231-S234 PolarHBondContact O-OG 3.37Å; I232-S234 PolarHBondContact O-N 3.32Å
235Y54Low64Low46 Ų4677.2 Ų77.218%0.1839%0.387CS..Hα-helixtrans-79.4-28.9170.2-47.9-64.9000111.7C225 I232 Y233 I238 R258 V261C225-Y235 PolarHBondContact SG-OH 3.2Å; I232-Y235 HydrophobicContact CB-CD2 4.09Å; I232-Y235 HydrophobicContact CB-CE2 4.35Å; I232-Y235 HydrophobicContact CG1-CD2 3.67Å; I232-Y235 HydrophobicContact CG1-CE2 3.69Å; I232-Y235 WeakPolarHBondContact O-CA 3.47Å; I232-Y235 VanDerWaalsContact O-CB 3.29Å; I232-Y235 WeakPolarHBondContact O-CB 3.33Å; I232-Y235 VanDerWaalsContact O-CD2 3.29Å; I232-Y235 WeakPolarHBondContact O-CD2 3.38Å; I232-Y235 PolarHBondContact O-N 2.91Å; Y233-Y235 PolarHBondContact O-N 2.97Å; Y235-I238 WeakPolarHBondContact O-CB 3.16Å; Y235-I238 WeakPolarHBondContact O-CD1 3.4Å; Y235-I238 WeakPolarHBondContact O-CG1 3.41Å; Y235-I238 PolarHBondContact O-N 3.37Å; Y235-I238 VanDerWaalsContact O-N 3.12Å; Y235-R258 HydrophobicContact CE1-CG 4.16Å; Y235-V261 HydrophobicContact CD1-CB 4.12Å; Y235-V261 HydrophobicContact CD1-CG2 3.44Å; Y235-V261 VanDerWaalsContact CD1-CG2 3.44Å; Y235-V261 HydrophobicContact CE1-CB 3.83Å; Y235-V261 HydrophobicContact CE1-CG1 4.08Å; Y235-V261 HydrophobicContact CE1-CG2 3.7Å
236I54.4Low62.1Low105 Ų10585 Ų8554%0.53843%0.429SS..Hα-helixtrans-77.6-31.9178-63.2168.4000111.5I232 Y233 I238I232-I236 HydrophobicContact CG2-CD1 4.34Å; I232-I236 PolarHBondContact O-N 3.32Å; Y233-I236 HydrophobicContact CD1-CD1 4Å; Y233-I236 PolarHBondContact O-N 3.14Å; Y233-I236 VanDerWaalsContact O-N 3.13Å; I236-I238 CarbonylContact O-C 3.48Å; I236-I238 VanDerWaalsContact O-C 3.28Å; I236-I238 PolarHBondContact O-N 2.89Å
237W48.2Very low60Low62 Ų6284.3 Ų84.324%0.23543%0.434CS..THydrogen-bonded Turntrans-74.37.7164.5-168.771.3000113P91 M95 Y233 M239P91-W237 HydrophobicContact CB-CD2 4.18Å; P91-W237 HydrophobicContact CB-CH2 3.73Å; P91-W237 HydrophobicContact CB-CZ2 3.08Å; P91-W237 HydrophobicContact CB-CZ3 4.46Å; P91-W237 HydrophobicContact CG-CH2 3.9Å; P91-W237 HydrophobicContact CG-CZ2 3.6Å; M95-W237 HydrophobicContact CG-CG 4.41Å; Y233-W237 PolarHBondContact O-N 3.41Å; W237-M239 PolarHBondContact O-N 2.65Å
238I49Very low57.9Low38 Ų3888 Ų8820%0.19545%0.45CS..SBendtrans-67.790.5142.2-52.9167.3000103.6Y235 I236 N240 V261Y235-I238 WeakPolarHBondContact O-CB 3.16Å; Y235-I238 WeakPolarHBondContact O-CD1 3.4Å; Y235-I238 WeakPolarHBondContact O-CG1 3.41Å; Y235-I238 PolarHBondContact O-N 3.37Å; Y235-I238 VanDerWaalsContact O-N 3.12Å; I236-I238 CarbonylContact O-C 3.48Å; I236-I238 VanDerWaalsContact O-C 3.28Å; I236-I238 PolarHBondContact O-N 2.89Å; I238-N240 PolarHBondContact O-N 2.73Å; I238-V261 HydrophobicContact CD1-CG2 4.31Å
239M49.8Very low55.5Low145 Ų14597.1 Ų97.171%0.71449%0.49SS*.  trans-48.389.9138.9-80.4-71.2-71.200105.7W237W237-M239 PolarHBondContact O-N 2.65Å
240N45Very low53.6Low107 Ų10799.1 Ų99.157%0.57251%0.51SS*.  trans11.8115.9161.5-55-49.4000113.5I238 L242I238-N240 PolarHBondContact O-N 2.73Å; N240-L242 WeakPolarHBondContact O-CA 3.46Å; N240-L242 WeakPolarHBondContact O-CB 3.44Å; N240-L242 PolarHBondContact O-N 3.48Å
241T50Low51.8Low61 Ų61104.6 Ų104.637%0.37453%0.533SS..G310 helix43.2-46.9129.9-8.40000118.5L243 W244 N245 F248T241-L243 VanDerWaalsContact C-N 3.33Å; T241-L243 PolarHBondContact O-N 2.94Å; T241-W244 CarbonylContact O-C 3.39Å; T241-W244 PolarHBondContact O-N 3.41Å; T241-N245 VanDerWaalsContact C-OD1 3.23Å; T241-N245 WeakPolarHBondContact O-CA 3.46Å; T241-N245 VanDerWaalsContact O-CG 3.22Å; T241-N245 PolarHBondContact O-N 3.3Å; T241-N245 PolarHBondContact O-OD1 2.96Å; T241-F248 HydrophobicContact CG2-CD2 3.72Å; T241-F248 HydrophobicContact CG2-CE2 3.59Å; T241-F248 HydrophobicContact CG2-CG 4.28Å; T241-F248 HydrophobicContact CG2-CZ 4.04Å
242L44.6Very low51.4Low152 Ų152105.7 Ų105.780%0.79654%0.541SS*.G310 helixtrans-46.7-34.9174.7-136.687.9000116.8N240N240-L242 WeakPolarHBondContact O-CA 3.46Å; N240-L242 WeakPolarHBondContact O-CB 3.44Å; N240-L242 PolarHBondContact O-N 3.48Å
243L45.5Very low51.9Low134 Ų134106.1 Ų106.170%0.70254%0.543SS*.G310 helixtrans-92.8-8.2178.7-96.5159.6000113.9T241T241-L243 VanDerWaalsContact C-N 3.33Å; T241-L243 PolarHBondContact O-N 2.94Å
244W50.8Low52.5Low111 Ų111103.2 Ų103.242%0.4254%0.539SS..SBendtrans-141.632.9-173-71.680.5000111.3L73 T241 D246 L247 F248 L260L73-W244 HydrophobicContact CD1-CH2 3.39Å; L73-W244 HydrophobicContact CD1-CZ2 3.69Å; T241-W244 CarbonylContact O-C 3.39Å; T241-W244 PolarHBondContact O-N 3.41Å; W244-D246 PolarHBondContact O-N 3.3Å; W244-L247 HydrophobicContact CE3-CD1 3.73Å; W244-L247 HydrophobicContact CZ3-CD1 3.98Å; W244-L247 PolarHBondContact O-N 3.22Å; W244-F248 WeakPolarHBondContact O-CD2 3.45Å; W244-L260 HydrophobicContact CE3-CD1 4.46Å
245N47.2Very low53.6Low93 Ų93104.1 Ų104.150%0.49754%0.54SS..G310 helixtrans-62-25.6-172.4-99.8-13.6000112.7T241 L247T241-N245 VanDerWaalsContact C-OD1 3.23Å; T241-N245 WeakPolarHBondContact O-CA 3.46Å; T241-N245 VanDerWaalsContact O-CG 3.22Å; T241-N245 PolarHBondContact O-N 3.3Å; T241-N245 PolarHBondContact O-OD1 2.96Å; N245-L247 VanDerWaalsContact C-N 3.26Å; N245-L247 PolarHBondContact O-N 3.5Å
246D53.4Low54.9Low168 Ų168103.4 Ų103.490%0.89854%0.54SS*.G310 helixtrans-75.5-7.8-174.1-67.4-27.9000114.9W244W244-D246 PolarHBondContact O-N 3.3Å
247L50.3Low56.2Low114 Ų11499.4 Ų99.460%0.59752%0.522SS*.G310 helixtrans-99.7-2.6-178.2-91.6148000114.6W244 N245 K249W244-L247 HydrophobicContact CE3-CD1 3.73Å; W244-L247 HydrophobicContact CZ3-CD1 3.98Å; W244-L247 PolarHBondContact O-N 3.22Å; N245-L247 VanDerWaalsContact C-N 3.26Å; N245-L247 PolarHBondContact O-N 3.5Å; L247-K249 PolarHBondContact O-N 3.04Å
248F48.4Very low58Low77 Ų7799.1 Ų99.134%0.33852%0.521SS..  trans-95.362.4-176.1-71.4-84.3000112.7T241 W244 T256T241-F248 HydrophobicContact CG2-CD2 3.72Å; T241-F248 HydrophobicContact CG2-CE2 3.59Å; T241-F248 HydrophobicContact CG2-CG 4.28Å; T241-F248 HydrophobicContact CG2-CZ 4.04Å; W244-F248 WeakPolarHBondContact O-CD2 3.45Å; F248-T256 HydrophobicContact CE1-CG2 4.49Å
249K44Very low60Low202 Ų20298.1 Ų98.188%0.87852%0.515SS*.SBendtrans-119.5110.8163.7-88.4-177.7175.4176.30111L247L247-K249 PolarHBondContact O-N 3.04Å
250G48.7Very low61.7Low86 Ų8693.3 Ų93.389%0.88749%0.492SS*.SBendtrans92.16.1144.800000120.2
251K51.4Low63.7Low130 Ų13088.8 Ų88.857%0.56547%0.469SS*.SBendtrans-117.5151.7173.5-70.8-177.7-178177.50111.6I253 T256K251-I253 PolarHBondContact O-N 3.5Å; K251-T256 WeakPolarHBondContact CB-OG1 3.3Å
252S65.2Low65.8Low76 Ų7685.9 Ų85.953%0.53145%0.451SS..  trans-40.3116.7174.6171.90000110.2L254 K255 T256S252-L254 PolarHBondContact O-N 2.66Å; S252-L254 VanDerWaalsContact O-N 3.08Å; S252-K255 WeakPolarHBondContact O-CA 3.28Å; S252-K255 WeakPolarHBondContact O-CB 3.38Å; S252-K255 PolarHBondContact O-N 3.27Å; S252-T256 PolarHBondContact O-N 3.49Å; S252-T256 PolarHBondContact O-OG1 3.21Å
253I71Confident68Low129 Ų12981.6 Ų81.666%0.66243%0.426SS*.Hα-helixtrans-48.6-44.6-171.2-67159.1000110.5K251 K255 T256 S257K251-I253 PolarHBondContact O-N 3.5Å; I253-K255 PolarHBondContact O-N 3.07Å; I253-T256 PolarHBondContact O-N 3.35Å; I253-S257 WeakPolarHBondContact O-CB 3.46Å; I253-S257 PolarHBondContact O-N 2.73Å; I253-S257 PolarHBondContact O-OG 3.32Å
254L74.4Confident70.1Confident110 Ų11079.4 Ų79.458%0.57641%0.41SS*.Hα-helixtrans-62-42.2178.7-68.5167.3000113.4S252 R258S252-L254 PolarHBondContact O-N 2.66Å; S252-L254 VanDerWaalsContact O-N 3.08Å; L254-R258 WeakPolarHBondContact O-CB 3.37Å; L254-R258 VanDerWaalsContact O-CG 3.3Å; L254-R258 WeakPolarHBondContact O-CG 3.13Å; L254-R258 PolarHBondContact O-N 3.01Å
255K80.9Confident72Confident40 Ų4074.6 Ų74.617%0.17439%0.393CS..Hα-helixtrans-63-48.2176.3-180165.1172.6168.80109.8E214 L216 T218 L221 S252 I253 R258 I259E214-K255 WeakPolarHBondContact O-CE 3.45Å; E214-K255 PolarHBondContact O-NZ 3.34Å; L216-K255 VanDerWaalsContact O-CE 3.27Å; L216-K255 WeakPolarHBondContact O-CE 3.47Å; L216-K255 PolarHBondContact O-NZ 3.17Å; T218-K255 HydrophobicContact CG2-CB 4.06Å; T218-K255 HydrophobicContact CG2-CD 4.45Å; L221-K255 HydrophobicContact CD1-CD 4.3Å; L221-K255 HydrophobicContact CD1-CG 3.74Å; S252-K255 WeakPolarHBondContact O-CA 3.28Å; S252-K255 WeakPolarHBondContact O-CB 3.38Å; S252-K255 PolarHBondContact O-N 3.27Å; I253-K255 PolarHBondContact O-N 3.07Å; K255-R258 PolarHBondContact O-N 3.16Å; K255-I259 HydrophobicContact CG-CD1 3.87Å; K255-I259 WeakPolarHBondContact O-CG1 3.46Å; K255-I259 PolarHBondContact O-N 2.83Å
256T81.2Confident74.3Confident31 Ų3170.2 Ų70.219%0.1937%0.369CS..Hα-helixtrans-61.2-46.8-179.6-51.80000111.6F248 K251 S252 I253 R258 I259 L260F248-T256 HydrophobicContact CE1-CG2 4.49Å; K251-T256 WeakPolarHBondContact CB-OG1 3.3Å; S252-T256 PolarHBondContact O-N 3.49Å; S252-T256 PolarHBondContact O-OG1 3.21Å; I253-T256 PolarHBondContact O-N 3.35Å; T256-R258 PolarHBondContact O-N 2.99Å; T256-I259 PolarHBondContact O-N 2.92Å; T256-L260 PolarHBondContact O-N 3.48Å
257S80.5Confident76.1Confident22 Ų2264.3 Ų64.315%0.15434%0.335CS..Hα-helixtrans-61.7-41.2177.7-60.50000112.5I253 L260 V261I253-S257 WeakPolarHBondContact O-CB 3.46Å; I253-S257 PolarHBondContact O-N 2.73Å; I253-S257 PolarHBondContact O-OG 3.32Å; S257-L260 PolarHBondContact O-N 3.16Å; S257-V261 WeakPolarHBondContact O-CG2 3.42Å; S257-V261 PolarHBondContact O-N 3.34Å
258R87.3Confident78.1Confident56 Ų5659.7 Ų59.721%0.21131%0.31CS..Hα-helixtrans-62.9-46.9175.5-74.6-177.5-173.51223.3111.8L221 Y235 L254 K255 T256 L260 V261 L262L221-R258 HydrophobicContact CB-CB 4.2Å; Y235-R258 HydrophobicContact CE1-CG 4.16Å; L254-R258 WeakPolarHBondContact O-CB 3.37Å; L254-R258 VanDerWaalsContact O-CG 3.3Å; L254-R258 WeakPolarHBondContact O-CG 3.13Å; L254-R258 PolarHBondContact O-N 3.01Å; K255-R258 PolarHBondContact O-N 3.16Å; T256-R258 PolarHBondContact O-N 2.99Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-L260 PolarHBondContact O-N 3.39Å; R258-V261 PolarHBondContact O-N 3.41Å; R258-L262 VanDerWaalsContact O-CB 3.29Å; R258-L262 WeakPolarHBondContact O-CB 3.24Å; R258-L262 VanDerWaalsContact O-CG 3.24Å; R258-L262 WeakPolarHBondContact O-CG 3.44Å; R258-L262 PolarHBondContact O-N 3.47Å
259I90.2Very high80.3Confident17 Ų1756.1 Ų56.19%0.08729%0.294CS..Hα-helixtrans-58.9-46.2177.4-67.9168.7000110.1L213 L221 K255 T256 V261 L262 K263L213-I259 HydrophobicContact CB-CG1 4.46Å; L213-I259 HydrophobicContact CB-CG2 4.27Å; L213-I259 WeakPolarHBondContact O-CD1 3.36Å; L221-I259 HydrophobicContact CD1-CD1 4.17Å; L221-I259 HydrophobicContact CD1-CG1 3.8Å; L221-I259 HydrophobicContact CD2-CG1 4.09Å; K255-I259 HydrophobicContact CG-CD1 3.87Å; K255-I259 WeakPolarHBondContact O-CG1 3.46Å; K255-I259 PolarHBondContact O-N 2.83Å; T256-I259 PolarHBondContact O-N 2.92Å; I259-V261 PolarHBondContact O-N 3.23Å; I259-L262 PolarHBondContact O-N 3.43Å; I259-K263 HydrophobicContact CG2-CD 4.05Å; I259-K263 HydrophobicContact CG2-CG 4.19Å; I259-K263 WeakPolarHBondContact O-CB 3.48Å; I259-K263 WeakPolarHBondContact O-CG 3.12Å; I259-K263 PolarHBondContact O-N 3.22Å
260L86Confident82.7Confident43 Ų4348 Ų4823%0.22526%0.258CS..Hα-helixtrans-60.6-47.2-179.8-176.666.6000112W244 T256 S257 R258 L262 K263 K264W244-L260 HydrophobicContact CE3-CD1 4.46Å; T256-L260 PolarHBondContact O-N 3.48Å; S257-L260 PolarHBondContact O-N 3.16Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-L260 PolarHBondContact O-N 3.39Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L260-L262 PolarHBondContact O-N 2.89Å; L260-K263 PolarHBondContact O-N 3.25Å; L260-K264 VanDerWaalsContact O-CB 3.31Å; L260-K264 WeakPolarHBondContact O-CB 3.39Å; L260-K264 PolarHBondContact O-N 2.92Å
261V87.6Confident84.8Confident13 Ų1344 Ų448%0.07922%0.217CC..Hα-helixtrans-64.4-40.7178.9165.70000111.6L230 Y235 I238 S257 R258 I259 H265L230-V261 HydrophobicContact CB-CG1 4.22Å; L230-V261 HydrophobicContact CD1-CG1 3.93Å; L230-V261 HydrophobicContact CG-CG1 4.45Å; Y235-V261 HydrophobicContact CD1-CB 4.12Å; Y235-V261 HydrophobicContact CD1-CG2 3.44Å; Y235-V261 VanDerWaalsContact CD1-CG2 3.44Å; Y235-V261 HydrophobicContact CE1-CB 3.83Å; Y235-V261 HydrophobicContact CE1-CG1 4.08Å; Y235-V261 HydrophobicContact CE1-CG2 3.7Å; I238-V261 HydrophobicContact CD1-CG2 4.31Å; S257-V261 WeakPolarHBondContact O-CG2 3.42Å; S257-V261 PolarHBondContact O-N 3.34Å; R258-V261 PolarHBondContact O-N 3.41Å; I259-V261 PolarHBondContact O-N 3.23Å; V261-H265 WeakPolarHBondContact O-CB 3.43Å; V261-H265 PolarHBondContact O-N 2.96Å
262L92.5Very high86.8Confident0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-64.7-46.9176-76.7169.8000112L213 L221 L224 L230 R258 I259 L260 H265 A266 L337L213-L262 HydrophobicContact CD1-CB 4.38Å; L221-L262 HydrophobicContact CB-CD1 4.4Å; L221-L262 HydrophobicContact CD2-CD1 3.76Å; L224-L262 HydrophobicContact CB-CD1 4.11Å; L224-L262 HydrophobicContact CB-CD2 3.95Å; L224-L262 HydrophobicContact CD1-CD1 4.45Å; L230-L262 HydrophobicContact CD1-CD2 3.86Å; R258-L262 VanDerWaalsContact O-CB 3.29Å; R258-L262 WeakPolarHBondContact O-CB 3.24Å; R258-L262 VanDerWaalsContact O-CG 3.24Å; R258-L262 WeakPolarHBondContact O-CG 3.44Å; R258-L262 PolarHBondContact O-N 3.47Å; I259-L262 PolarHBondContact O-N 3.43Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L260-L262 PolarHBondContact O-N 2.89Å; L262-H265 PolarHBondContact O-N 3.11Å; L262-A266 WeakPolarHBondContact O-CB 3.39Å; L262-A266 PolarHBondContact O-N 3.02Å; L262-L337 HydrophobicContact CB-CD1 3.73Å; L262-L337 HydrophobicContact CD2-CD1 4.05Å; L262-L337 HydrophobicContact CD2-CD2 3.85Å; L262-L337 HydrophobicContact CG-CD1 4.37Å
263K92.2Very high88.2Confident61 Ų6134.4 Ų34.427%0.26517%0.166SC..Hα-helixtrans-59-48.8175.7-75.1-171175.7-175.70111.3L213 E214 I259 L260 H265 A266 Y267 F333L213-K263 HydrophobicContact CD1-CG 3.72Å; E214-K263 WeakPolarHBondContact OE1-CE 3.46Å; E214-K263 IonicContact OE1-NZ 2.62Å; E214-K263 PolarHBondContact OE1-NZ 2.92Å; I259-K263 HydrophobicContact CG2-CD 4.05Å; I259-K263 HydrophobicContact CG2-CG 4.19Å; I259-K263 WeakPolarHBondContact O-CB 3.48Å; I259-K263 WeakPolarHBondContact O-CG 3.12Å; I259-K263 PolarHBondContact O-N 3.22Å; L260-K263 PolarHBondContact O-N 3.25Å; K263-H265 VanDerWaalsContact C-N 3.33Å; K263-H265 PolarHBondContact O-N 2.96Å; K263-A266 PolarHBondContact O-N 2.67Å; K263-Y267 WeakPolarHBondContact O-CB 3.37Å; K263-Y267 PolarHBondContact O-N 2.94Å; K263-F333 HydrophobicContact CB-CD1 4.43Å; K263-F333 HydrophobicContact CB-CD2 4.31Å; K263-F333 HydrophobicContact CB-CE1 4.47Å; K263-F333 HydrophobicContact CB-CE2 4.37Å; K263-F333 HydrophobicContact CB-CG 4.33Å; K263-F333 HydrophobicContact CB-CZ 4.44Å; K263-F333 HydrophobicContact CD-CD2 3.88Å; K263-F333 HydrophobicContact CD-CE2 3.81Å; K263-F333 HydrophobicContact CG-CB 4.39Å; K263-F333 HydrophobicContact CG-CD2 3.62Å; K263-F333 HydrophobicContact CG-CE2 3.93Å; K263-F333 HydrophobicContact CG-CG 3.93Å; K263-F333 HydrophobicContact CG-CZ 4.48Å
264K88.6Confident89.2Confident88 Ų8830.3 Ų30.338%0.38314%0.144SC..Hα-helixtrans-54.9-51.1175.8-179.8177.6-179.1171.60110.5L260 A266 Y267 F268L260-K264 VanDerWaalsContact O-CB 3.31Å; L260-K264 WeakPolarHBondContact O-CB 3.39Å; L260-K264 PolarHBondContact O-N 2.92Å; K264-A266 PolarHBondContact O-N 3.33Å; K264-Y267 PolarHBondContact O-N 3.08Å; K264-F268 HydrophobicContact CD-CE2 4.3Å; K264-F268 HydrophobicContact CG-CD2 3.78Å; K264-F268 HydrophobicContact CG-CE2 3.64Å; K264-F268 WeakPolarHBondContact O-CD2 3.16Å; K264-F268 PolarHBondContact O-N 3.16Å
265H91.9Very high90Very high10 Ų1025.3 Ų25.35%0.04612%0.118CC..Hα-helixtrans-59.5-48.7179.8178.956000112.3H228 L230 V261 L262 K263 Y267 F268 L269H228-H265 AromaticContact CG-CD2 3.7Å; H228-H265 AromaticContact CG-NE2 3.64Å; H228-H265 AromaticContact ND1-CD2 3.67Å; H228-H265 AromaticContact ND1-NE2 3.22Å; H228-H265 PolarHBondContact ND1-NE2 3.13Å; L230-H265 HydrophobicContact CD1-CB 3.87Å; L230-H265 HydrophobicContact CD2-CB 4.22Å; V261-H265 WeakPolarHBondContact O-CB 3.43Å; V261-H265 PolarHBondContact O-N 2.96Å; L262-H265 PolarHBondContact O-N 3.11Å; K263-H265 VanDerWaalsContact C-N 3.33Å; K263-H265 PolarHBondContact O-N 2.96Å; H265-Y267 VanDerWaalsContact C-N 3.29Å; H265-Y267 PolarHBondContact O-N 3.29Å; H265-F268 PolarHBondContact O-N 3.08Å; H265-L269 WeakPolarHBondContact O-CB 3.17Å; H265-L269 PolarHBondContact O-N 3.44Å
266A94.3Very high90.4Very high1 Ų123.4 Ų23.41%0.00811%0.11CC..Hα-helixtrans-62.7-34.8179.600000112.9L262 K263 K264 Y270 F333 R336 L337L262-A266 WeakPolarHBondContact O-CB 3.39Å; L262-A266 PolarHBondContact O-N 3.02Å; K263-A266 PolarHBondContact O-N 2.67Å; K264-A266 PolarHBondContact O-N 3.33Å; A266-Y270 WeakPolarHBondContact O-CB 3.32Å; A266-Y270 PolarHBondContact O-N 3.07Å; A266-F333 HydrophobicContact CB-CB 4.03Å; A266-F333 HydrophobicContact CB-CD1 3.82Å; A266-F333 HydrophobicContact CB-CG 4.41Å; A266-R336 WeakPolarHBondContact O-CD 3.46Å; A266-L337 HydrophobicContact CB-CD1 4.16Å; A266-L337 HydrophobicContact CB-CD2 4.05Å; A266-L337 HydrophobicContact CB-CG 3.89Å
267Y91.7Very high90.7Very high44 Ų4427 Ų2717%0.17313%0.125CC..Hα-helixtrans-71.8-42.5177.6-155.8-114.7000112.1L73 L76 K263 K264 H265 L269 Y270 A271 G330 F333L73-Y267 HydrophobicContact CB-CD1 4.5Å; L73-Y267 HydrophobicContact CB-CE1 3.76Å; L73-Y267 HydrophobicContact CD2-CD1 3.97Å; L73-Y267 HydrophobicContact CD2-CE1 3.84Å; L73-Y267 HydrophobicContact CD2-CG 4.39Å; L73-Y267 HydrophobicContact CG-CD1 3.99Å; L73-Y267 HydrophobicContact CG-CE1 3.75Å; L73-Y267 PolarHBondContact O-OH 3.07Å; L76-Y267 HydrophobicContact CB-CE1 4.13Å; L76-Y267 HydrophobicContact CD2-CD1 3.37Å; L76-Y267 HydrophobicContact CD2-CE1 3.69Å; L76-Y267 HydrophobicContact CD2-CG 4.32Å; K263-Y267 WeakPolarHBondContact O-CB 3.37Å; K263-Y267 PolarHBondContact O-N 2.94Å; K264-Y267 PolarHBondContact O-N 3.08Å; H265-Y267 VanDerWaalsContact C-N 3.29Å; H265-Y267 PolarHBondContact O-N 3.29Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; Y267-Y270 PolarHBondContact O-N 3.15Å; Y267-A271 PolarHBondContact O-N 3Å; Y267-G330 WeakPolarHBondContact CD2-O 3.44Å; Y267-F333 AromaticContact CD2-CE1 3.75Å; Y267-F333 HydrophobicContact CD2-CE1 3.75Å; Y267-F333 HydrophobicContact CD2-CZ 4.37Å; Y267-F333 HydrophobicContact CG-CE1 4.27Å
268F92.6Very high91Very high17 Ų1732.1 Ų32.18%0.07514%0.144CC..Hα-helixtrans-63-41.1172.1-82.3-72.3000112.2L76 V84 L87 R88 K264 H265 Y270 A271 E272L76-F268 HydrophobicContact CD1-CD1 3.87Å; L76-F268 HydrophobicContact CD1-CE1 3.59Å; L76-F268 HydrophobicContact CD1-CZ 4.46Å; L76-F268 HydrophobicContact CD2-CD1 4.14Å; L76-F268 HydrophobicContact CD2-CE1 4.42Å; V84-F268 HydrophobicContact CG1-CD1 4.17Å; L87-F268 HydrophobicContact CB-CE1 3.84Å; L87-F268 HydrophobicContact CB-CZ 4.28Å; R88-F268 HydrophobicContact CB-CB 4.48Å; R88-F268 HydrophobicContact CB-CD1 3.91Å; R88-F268 HydrophobicContact CB-CE1 4.31Å; R88-F268 HydrophobicContact CB-CG 4.16Å; R88-F268 HydrophobicContact CG-CB 4.25Å; R88-F268 HydrophobicContact CG-CG 4.28Å; K264-F268 HydrophobicContact CD-CE2 4.3Å; K264-F268 HydrophobicContact CG-CD2 3.78Å; K264-F268 HydrophobicContact CG-CE2 3.64Å; K264-F268 WeakPolarHBondContact O-CD2 3.16Å; K264-F268 PolarHBondContact O-N 3.16Å; H265-F268 PolarHBondContact O-N 3.08Å; F268-Y270 VanDerWaalsContact C-N 3.32Å; F268-Y270 PolarHBondContact O-N 3.21Å; F268-A271 PolarHBondContact O-N 3Å; F268-E272 WeakPolarHBondContact O-CB 3.42Å; F268-E272 PolarHBondContact O-N 2.71Å
269L94.4Very high90.7Very high2 Ų233.5 Ų33.51%0.0116%0.156CC..Hα-helixtrans-59.2-46.6176.8-162.2114.3000110.6H265 Y267 E272 D273 L301 R302 W321 R336H265-L269 WeakPolarHBondContact O-CB 3.17Å; H265-L269 PolarHBondContact O-N 3.44Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; L269-E272 PolarHBondContact O-N 3.41Å; L269-D273 WeakPolarHBondContact O-CB 3.36Å; L269-D273 PolarHBondContact O-N 3.41Å; L269-L301 HydrophobicContact CD1-CD2 3.98Å; L269-L301 HydrophobicContact CD1-CG 3.88Å; L269-R302 HydrophobicContact CD1-CG 4.3Å; L269-W321 HydrophobicContact CD2-CZ2 3.97Å; L269-R336 HydrophobicContact CD2-CG 3.69Å
270Y94.8Very high90.1Very high32 Ų3239.3 Ų39.313%0.12518%0.18CC..Hα-helixtrans-61.3-46.7176.7-178.1-113.1000113.2A266 Y267 F268 E272 D273 Q274 A328 G330A266-Y270 WeakPolarHBondContact O-CB 3.32Å; A266-Y270 PolarHBondContact O-N 3.07Å; Y267-Y270 PolarHBondContact O-N 3.15Å; F268-Y270 VanDerWaalsContact C-N 3.32Å; F268-Y270 PolarHBondContact O-N 3.21Å; Y270-E272 VanDerWaalsContact C-N 3.29Å; Y270-E272 PolarHBondContact O-N 3.47Å; Y270-D273 WeakPolarHBondContact O-CB 3.48Å; Y270-D273 PolarHBondContact O-N 3.25Å; Y270-Q274 HydrophobicContact CD1-CG 4.28Å; Y270-Q274 HydrophobicContact CD2-CG 4.46Å; Y270-Q274 HydrophobicContact CE1-CG 3.94Å; Y270-Q274 HydrophobicContact CE2-CG 4.2Å; Y270-Q274 WeakPolarHBondContact O-CG 3.01Å; Y270-Q274 PolarHBondContact O-N 3.36Å; Y270-Q274 PolarHBondContact OH-NE2 3.45Å; Y270-A328 WeakPolarHBondContact CE2-O 3.46Å; Y270-G330 VanDerWaalsContact CD1-CA 3.43Å
271A93.1Very high89.2Confident3 Ų337.7 Ų37.73%0.02517%0.172CC..Hα-helixtrans-62-40.5178.800000111.5L76 V84 Y267 F268 Q274 C275L76-A271 HydrophobicContact CD1-CB 4.47Å; L76-A271 HydrophobicContact CD2-CB 3.44Å; L76-A271 VanDerWaalsContact CD2-CB 3.44Å; L76-A271 HydrophobicContact CG-CB 3.5Å; L76-A271 VanDerWaalsContact CG-CB 3.5Å; V84-A271 HydrophobicContact CG1-CB 4.2Å; V84-A271 HydrophobicContact CG2-CB 4.42Å; Y267-A271 PolarHBondContact O-N 3Å; F268-A271 PolarHBondContact O-N 3Å; A271-Q274 PolarHBondContact O-N 3.28Å; A271-C275 PolarHBondContact O-N 2.81Å; A271-C275 PolarHBondContact O-SG 3.3Å
272E92.7Very high88.3Confident3 Ų339.1 Ų39.11%0.01418%0.177CC..Hα-helixtrans-65.5-41.8176.1-166.9165.1-166.500111.6V84 R88 F268 L269 Y270 C275 I276 L298 L301V84-E272 HydrophobicContact CG1-CB 4.05Å; R88-E272 IonicContact CZ-OE1 3.79Å; R88-E272 IonicContact CZ-OE2 3.58Å; R88-E272 VanDerWaalsContact CZ-OE2 3.25Å; R88-E272 IonicContact NE-OE2 3.05Å; R88-E272 PolarHBondContact NE-OE2 3.18Å; R88-E272 IonicContact NH2-OE1 3.26Å; R88-E272 PolarHBondContact NH2-OE1 2.56Å; R88-E272 IonicContact NH2-OE2 2.98Å; R88-E272 PolarHBondContact NH2-OE2 2.99Å; F268-E272 WeakPolarHBondContact O-CB 3.42Å; F268-E272 PolarHBondContact O-N 2.71Å; L269-E272 PolarHBondContact O-N 3.41Å; Y270-E272 VanDerWaalsContact C-N 3.29Å; Y270-E272 PolarHBondContact O-N 3.47Å; E272-C275 PolarHBondContact O-N 3.47Å; E272-I276 HydrophobicContact CG-CD1 4.38Å; E272-I276 WeakPolarHBondContact O-CD1 3.13Å; E272-I276 VanDerWaalsContact O-CG1 3.24Å; E272-I276 WeakPolarHBondContact O-CG1 3.32Å; E272-I276 PolarHBondContact O-N 3.46Å; E272-L298 HydrophobicContact CG-CD2 4.18Å; E272-L298 VanDerWaalsContact OE1-CD2 3.24Å; E272-L298 WeakPolarHBondContact OE1-CD2 3.43Å; E272-L301 WeakPolarHBondContact OE2-CD2 3.45Å
273D94Very high87.1Confident0 Ų043.8 Ų43.80%020%0.202CC..Hα-helixtrans-60.3-43.6172.9-69.3-32.8000111.8L269 Y270 I276 Q277 R302 I322 S325 T326L269-D273 WeakPolarHBondContact O-CB 3.36Å; L269-D273 PolarHBondContact O-N 3.41Å; Y270-D273 WeakPolarHBondContact O-CB 3.48Å; Y270-D273 PolarHBondContact O-N 3.25Å; D273-I276 PolarHBondContact O-N 3.31Å; D273-Q277 PolarHBondContact O-N 2.84Å; D273-R302 IonicContact OD1-CZ 2.76Å; D273-R302 IonicContact OD1-NE 3.25Å; D273-R302 PolarHBondContact OD1-NE 2.93Å; D273-R302 IonicContact OD1-NH2 3.89Å; D273-R302 PolarHBondContact OD1-NH2 3.21Å; D273-I322 HydrophobicContact CB-CG2 4.2Å; D273-I322 WeakPolarHBondContact OD1-CG1 3.33Å; D273-S325 WeakPolarHBondContact OD2-CB 3.31Å; D273-S325 PolarHBondContact OD2-OG 2.9Å; D273-T326 HydrophobicContact CB-CG2 3.82Å
274Q92.5Very high85.4Confident44 Ų4447.4 Ų47.421%0.20622%0.224CC..Hα-helixtrans-63.5-43.8176.1-76.1-167.7-34.900112.3Y270 A271 I276 Q277 K278 T326Y270-Q274 HydrophobicContact CD1-CG 4.28Å; Y270-Q274 HydrophobicContact CD2-CG 4.46Å; Y270-Q274 HydrophobicContact CE1-CG 3.94Å; Y270-Q274 HydrophobicContact CE2-CG 4.2Å; Y270-Q274 WeakPolarHBondContact O-CG 3.01Å; Y270-Q274 PolarHBondContact O-N 3.36Å; Y270-Q274 PolarHBondContact OH-NE2 3.45Å; A271-Q274 PolarHBondContact O-N 3.28Å; Q274-I276 VanDerWaalsContact C-N 3.29Å; Q274-I276 PolarHBondContact O-N 3.4Å; Q274-Q277 PolarHBondContact O-N 3.39Å; Q274-K278 WeakPolarHBondContact O-CB 3.36Å; Q274-K278 VanDerWaalsContact O-CG 3.26Å; Q274-K278 WeakPolarHBondContact O-CG 3.45Å; Q274-K278 PolarHBondContact O-N 3.12Å; Q274-T326 HydrophobicContact CG-CG2 4.37Å
275C91Very high83.7Confident5 Ų551.9 Ų51.93%0.03425%0.246CC..Hα-helixtrans-58.8-44.7175-66.90000110.4L79 R81 A271 E272 Q277 K278 D279L79-C275 PolarHBondContact O-SG 3.01Å; L79-C275 VanDerWaalsContact O-SG 3.37Å; R81-C275 HydrophobicContact CB-CB 3.85Å; R81-C275 HydrophobicContact CG-CB 4.32Å; A271-C275 PolarHBondContact O-N 2.81Å; A271-C275 PolarHBondContact O-SG 3.3Å; E272-C275 PolarHBondContact O-N 3.47Å; C275-Q277 VanDerWaalsContact C-N 3.32Å; C275-Q277 PolarHBondContact O-N 2.56Å; C275-K278 PolarHBondContact O-N 3.47Å; C275-D279 WeakPolarHBondContact O-CB 3.35Å; C275-D279 PolarHBondContact O-N 2.87Å
276I89.8Confident81.8Confident0 Ų052.1 Ų52.10%025%0.249CC..Hα-helixtrans-63.1-40.6179.9-65.6161.6000111.8E272 D273 Q274 K280 L281 F282 L298 I322E272-I276 HydrophobicContact CG-CD1 4.38Å; E272-I276 WeakPolarHBondContact O-CD1 3.13Å; E272-I276 VanDerWaalsContact O-CG1 3.24Å; E272-I276 WeakPolarHBondContact O-CG1 3.32Å; E272-I276 PolarHBondContact O-N 3.46Å; D273-I276 PolarHBondContact O-N 3.31Å; Q274-I276 VanDerWaalsContact C-N 3.29Å; Q274-I276 PolarHBondContact O-N 3.4Å; I276-K280 PolarHBondContact O-N 3.05Å; I276-L281 HydrophobicContact CB-CD1 4.19Å; I276-L281 HydrophobicContact CG1-CD1 4.08Å; I276-L281 HydrophobicContact CG2-CB 4.14Å; I276-L281 HydrophobicContact CG2-CD1 3.84Å; I276-F282 HydrophobicContact CG2-CD2 4.37Å; I276-F282 HydrophobicContact CG2-CE2 3.6Å; I276-F282 HydrophobicContact CG2-CZ 4.15Å; I276-L298 HydrophobicContact CD1-CD1 4.03Å; I276-L298 HydrophobicContact CD1-CD2 4.03Å; I276-I322 HydrophobicContact CB-CD1 4.08Å; I276-I322 HydrophobicContact CD1-CD1 3.93Å; I276-I322 HydrophobicContact CG2-CD1 3.55Å
277Q87.6Confident79.4Confident106 Ų10654.9 Ų54.950%0.49526%0.263SS..Hα-helixtrans-66.9-40.9177.2-166.6172.218.200112D273 Q274 C275 K280 I322 T326D273-Q277 PolarHBondContact O-N 2.84Å; Q274-Q277 PolarHBondContact O-N 3.39Å; C275-Q277 VanDerWaalsContact C-N 3.32Å; C275-Q277 PolarHBondContact O-N 2.56Å; Q277-K280 PolarHBondContact O-N 2.62Å; Q277-I322 HydrophobicContact CB-CG2 4.45Å; Q277-T326 VanDerWaalsContact OE1-CB 3.3Å; Q277-T326 PolarHBondContact OE1-OG1 3.42Å
278K85.9Confident77.5Confident129 Ų12957.9 Ų57.956%0.56129%0.291SS*.Hα-helixtrans-64.4-42.7176.7-74.9174.2-176.6178.60112.4P77 Q274 C275 K280P77-K278 PolarHBondContact O-NZ 3.25Å; Q274-K278 WeakPolarHBondContact O-CB 3.36Å; Q274-K278 VanDerWaalsContact O-CG 3.26Å; Q274-K278 WeakPolarHBondContact O-CG 3.45Å; Q274-K278 PolarHBondContact O-N 3.12Å; C275-K278 PolarHBondContact O-N 3.47Å; K278-K280 PolarHBondContact O-N 2.91Å; K278-K280 VanDerWaalsContact O-N 3.09Å
279D81.9Confident75.7Confident85 Ų8562.3 Ų62.346%0.45531%0.314SS..THydrogen-bonded Turntrans-67.8-7.8-179.9-67.8-11.7000112.1R81 C275 L281R81-D279 IonicContact NE-OD2 2.89Å; C275-D279 WeakPolarHBondContact O-CB 3.35Å; C275-D279 PolarHBondContact O-N 2.87Å; D279-L281 HydrophobicContact CB-CD1 3.94Å; D279-L281 HydrophobicContact CB-CG 3.78Å; D279-L281 PolarHBondContact O-N 3.25Å; D279-L281 VanDerWaalsContact O-N 3.11Å
280K77.2Confident74.2Confident140 Ų14063.4 Ų63.461%0.60932%0.32SS*.THydrogen-bonded Turntrans47.238.8-176.1-63.4-174.5-178.8-179.90112.2I276 Q277 K278 F282 N283 S286I276-K280 PolarHBondContact O-N 3.05Å; Q277-K280 PolarHBondContact O-N 2.62Å; K278-K280 PolarHBondContact O-N 2.91Å; K278-K280 VanDerWaalsContact O-N 3.09Å; K280-F282 PolarHBondContact O-N 3Å; K280-N283 WeakPolarHBondContact O-CB 3.13Å; K280-N283 PolarHBondContact O-N 3.34Å; K280-S286 PolarHBondContact O-OG 3.07Å; K280-S286 VanDerWaalsContact O-OG 3.11Å
281L67.9Low73.2Confident9 Ų968.4 Ų68.45%0.04734%0.344CS..THydrogen-bonded Turntrans-57.4-7.9-172.9-91.6164.7000115.9I276 D279 S286 I290I276-L281 HydrophobicContact CB-CD1 4.19Å; I276-L281 HydrophobicContact CG1-CD1 4.08Å; I276-L281 HydrophobicContact CG2-CB 4.14Å; I276-L281 HydrophobicContact CG2-CD1 3.84Å; D279-L281 HydrophobicContact CB-CD1 3.94Å; D279-L281 HydrophobicContact CB-CG 3.78Å; D279-L281 PolarHBondContact O-N 3.25Å; D279-L281 VanDerWaalsContact O-N 3.11Å; L281-S286 VanDerWaalsContact CA-OG 3.27Å; L281-S286 WeakPolarHBondContact CA-OG 3.37Å; L281-S286 PolarHBondContact O-OG 3.36Å; L281-S286 VanDerWaalsContact O-OG 3.06Å; L281-I290 HydrophobicContact CB-CD1 4.29Å; L281-I290 HydrophobicContact CD1-CD1 3.8Å; L281-I290 HydrophobicContact CD1-CG1 4.49Å; L281-I290 HydrophobicContact CD2-CD1 3.53Å; L281-I290 HydrophobicContact CD2-CG1 3.61Å; L281-I290 HydrophobicContact CG-CD1 4.05Å
282F67.5Low72.5Confident43 Ų4371.7 Ų71.719%0.18937%0.367CS..THydrogen-bonded Turntrans-110.91-176.9-64.7-58.1000113.4I276 K280 L318 Q319 I322I276-F282 HydrophobicContact CG2-CD2 4.37Å; I276-F282 HydrophobicContact CG2-CE2 3.6Å; I276-F282 HydrophobicContact CG2-CZ 4.15Å; K280-F282 PolarHBondContact O-N 3Å; F282-L318 HydrophobicContact CZ-CD2 4.11Å; F282-L318 HydrophobicContact CZ-CG 4.13Å; F282-Q319 HydrophobicContact CB-CG 3.99Å; F282-Q319 HydrophobicContact CD1-CG 3.37Å; F282-Q319 HydrophobicContact CD2-CB 4.48Å; F282-Q319 HydrophobicContact CD2-CG 3.38Å; F282-Q319 HydrophobicContact CE1-CG 3.5Å; F282-Q319 VanDerWaalsContact CE1-CG 3.5Å; F282-Q319 HydrophobicContact CE2-CB 4.37Å; F282-Q319 HydrophobicContact CE2-CG 3.51Å; F282-Q319 HydrophobicContact CG-CG 3.28Å; F282-Q319 HydrophobicContact CZ-CB 4.48Å; F282-Q319 HydrophobicContact CZ-CG 3.56Å; F282-I322 HydrophobicContact CE2-CD1 3.77Å; F282-I322 HydrophobicContact CZ-CD1 3.99Å
283N67.6Low72.1Confident98 Ų9873.8 Ų73.852%0.52438%0.382SS..SBendtrans-75.8136.2166.7-70.80.9000108.7K280 H285 S286K280-N283 WeakPolarHBondContact O-CB 3.13Å; K280-N283 PolarHBondContact O-N 3.34Å; N283-H285 PolarHBondContact O-N 3.02Å; N283-S286 PolarHBondContact O-N 3.03Å; N283-S286 PolarHBondContact O-OG 3.1Å
284D57Low71.8Confident136 Ų13675.9 Ų75.973%0.72739%0.392SS*.THydrogen-bonded Turntrans-47.4-27.3-165.7-72.9-36.7000116
285H52.4Low71.7Confident182 Ų18274.2 Ų74.284%0.84338%0.384SS*.THydrogen-bonded Turntrans-81.8-14.7179.5-62-46.7000115.5N283N283-H285 PolarHBondContact O-N 3.02Å
286S52.4Low71.7Confident16 Ų1677.1 Ų77.111%0.11240%0.396CS..SBendtrans-98.2-6.5-177.960.10000113.8K280 L281 N283 S288 I289K280-S286 PolarHBondContact O-OG 3.07Å; K280-S286 VanDerWaalsContact O-OG 3.11Å; L281-S286 VanDerWaalsContact CA-OG 3.27Å; L281-S286 WeakPolarHBondContact CA-OG 3.37Å; L281-S286 PolarHBondContact O-OG 3.36Å; L281-S286 VanDerWaalsContact O-OG 3.06Å; N283-S286 PolarHBondContact O-N 3.03Å; N283-S286 PolarHBondContact O-OG 3.1Å; S286-S288 PolarHBondContact O-N 3.35Å; S286-S288 VanDerWaalsContact O-N 3.14Å; S286-I289 WeakPolarHBondContact O-CB 3.48Å; S286-I289 PolarHBondContact O-N 2.91Å
287L44.8Very low71.8Confident58 Ų5879.5 Ų79.530%0.30441%0.407SS..THydrogen-bonded Turntrans-63.4-19.4-178.3-69.9171.3000113.8K315L287-K315 HydrophobicContact CD2-CD 3.92Å
288S50.2Low72.1Confident107 Ų10774.7 Ų74.775%0.74839%0.385SS*.THydrogen-bonded Turntrans-80.2-12.9175.356.30000114S286S286-S288 PolarHBondContact O-N 3.35Å; S286-S288 VanDerWaalsContact O-N 3.14Å
289I55.7Low72.5Confident111 Ų11168.5 Ų68.557%0.56936%0.358SS*.THydrogen-bonded Turntrans-88.4-35-168.6-55.6175.5000111.8S286 Q291S286-I289 WeakPolarHBondContact O-CB 3.48Å; S286-I289 PolarHBondContact O-N 2.91Å; I289-Q291 PolarHBondContact O-N 3.33Å
290I61.9Low73Confident25 Ų2565.2 Ų65.213%0.12834%0.34CS..SBendtrans-78.5117.3178-68.9177.6000109.4L281 S292 E294 L295L281-I290 HydrophobicContact CB-CD1 4.29Å; L281-I290 HydrophobicContact CD1-CD1 3.8Å; L281-I290 HydrophobicContact CD1-CG1 4.49Å; L281-I290 HydrophobicContact CD2-CD1 3.53Å; L281-I290 HydrophobicContact CD2-CG1 3.61Å; L281-I290 HydrophobicContact CG-CD1 4.05Å; I290-S292 PolarHBondContact O-N 2.85Å; I290-E294 HydrophobicContact CG2-CB 4.1Å; I290-E294 HydrophobicContact CG2-CG 4.46Å; I290-L295 HydrophobicContact CG2-CB 3.82Å
291Q73.8Confident73.8Confident137 Ų13759.9 Ų59.964%0.6432%0.318SS*.  trans-59.2137.1169.3-64.9-177.6-1000109.6I289 S293 E294 L295I289-Q291 PolarHBondContact O-N 3.33Å; Q291-S293 PolarHBondContact O-N 3.18Å; Q291-E294 WeakPolarHBondContact O-CB 3.41Å; Q291-E294 PolarHBondContact O-N 3.46Å; Q291-L295 PolarHBondContact O-N 2.98Å
292S79.2Confident75Confident71 Ų7159.5 Ų59.550%0.49732%0.316SS..Hα-helixtrans-55.2-24.5179.863.80000113.5I290 K296I290-S292 PolarHBondContact O-N 2.85Å; S292-K296 WeakPolarHBondContact O-CD 3.05Å; S292-K296 VanDerWaalsContact O-CG 3.3Å; S292-K296 WeakPolarHBondContact O-CG 3.38Å; S292-K296 PolarHBondContact O-N 2.92Å
293S84.9Confident76.1Confident48 Ų4857.7 Ų57.734%0.33631%0.31SS..Hα-helixtrans-69.2-41.2172.454.50000113.2Q291 Q297Q291-S293 PolarHBondContact O-N 3.18Å; S293-Q297 WeakPolarHBondContact O-CG 3.34Å; S293-Q297 PolarHBondContact O-N 3.46Å
294E88.1Confident77.3Confident43 Ų4353.2 Ų53.220%0.20129%0.286CS..Hα-helixtrans-70.9-43.3-179.4-175.9-178.6-156.900110.7R81 I290 Q291 K296 Q297 L298R81-E294 IonicContact CZ-OE1 2.84Å; R81-E294 VanDerWaalsContact CZ-OE1 3.23Å; R81-E294 IonicContact CZ-OE2 2.65Å; R81-E294 IonicContact NH1-OE1 3.11Å; R81-E294 PolarHBondContact NH1-OE1 3.37Å; R81-E294 IonicContact NH1-OE2 3.23Å; R81-E294 PolarHBondContact NH1-OE2 3.25Å; R81-E294 IonicContact NH2-OE1 2.71Å; R81-E294 PolarHBondContact NH2-OE1 2.9Å; R81-E294 IonicContact NH2-OE2 2.73Å; R81-E294 PolarHBondContact NH2-OE2 2.9Å; R81-E294 VanDerWaalsContact NH2-OE2 3.14Å; I290-E294 HydrophobicContact CG2-CB 4.1Å; I290-E294 HydrophobicContact CG2-CG 4.46Å; Q291-E294 WeakPolarHBondContact O-CB 3.41Å; Q291-E294 PolarHBondContact O-N 3.46Å; E294-K296 PolarHBondContact O-N 2.96Å; E294-Q297 WeakPolarHBondContact O-CB 3.48Å; E294-Q297 PolarHBondContact O-N 3.31Å; E294-L298 HydrophobicContact CG-CD1 4.45Å; E294-L298 WeakPolarHBondContact O-CG 3.34Å; E294-L298 PolarHBondContact O-N 2.94Å
295L89.8Confident78.9Confident9 Ų948.2 Ų48.25%0.04726%0.259CS..Hα-helixtrans-53.4-44.4174.9-176.769.2000111.5I290 Q291 Q297 L298 C299 E311 V314 K315 L318I290-L295 HydrophobicContact CG2-CB 3.82Å; Q291-L295 PolarHBondContact O-N 2.98Å; L295-Q297 PolarHBondContact O-N 3.5Å; L295-L298 PolarHBondContact O-N 2.83Å; L295-C299 PolarHBondContact O-N 2.72Å; L295-C299 PolarHBondContact O-SG 3.24Å; L295-E311 HydrophobicContact CD2-CG 4.09Å; L295-V314 HydrophobicContact CD2-CG1 4.01Å; L295-V314 HydrophobicContact CG-CG1 4.12Å; L295-K315 HydrophobicContact CD1-CG 4.24Å; L295-K315 HydrophobicContact CD2-CG 4Å; L295-L318 HydrophobicContact CD1-CD2 3.56Å
296K91.3Very high80.7Confident67 Ų6740 Ų4029%0.29122%0.222SC..Hα-helixtrans-60.5-44.5177.4-72.5169.6-178.9172.70111.6S292 E294 L298 C299 L300 P306 Y307S292-K296 WeakPolarHBondContact O-CD 3.05Å; S292-K296 VanDerWaalsContact O-CG 3.3Å; S292-K296 WeakPolarHBondContact O-CG 3.38Å; S292-K296 PolarHBondContact O-N 2.92Å; E294-K296 PolarHBondContact O-N 2.96Å; K296-L298 PolarHBondContact O-N 2.88Å; K296-C299 PolarHBondContact O-N 3.33Å; K296-L300 WeakPolarHBondContact O-CB 3.45Å; K296-L300 WeakPolarHBondContact O-CD1 3.42Å; K296-L300 WeakPolarHBondContact O-CG 3.11Å; K296-L300 PolarHBondContact O-N 2.9Å; K296-P306 HydrophobicContact CB-CB 4.36Å; K296-P306 HydrophobicContact CB-CG 3.93Å; K296-P306 HydrophobicContact CG-CB 3.89Å; K296-P306 HydrophobicContact CG-CG 3.83Å; K296-Y307 HydrophobicContact CD-CE1 4.08Å
297Q92Very high82.5Confident50 Ų5041.3 Ų41.323%0.23423%0.225CC..Hα-helixtrans-63.6-42.1178.6-66.9178.128.600112.1S293 E294 L295 C299 L300 L301S293-Q297 WeakPolarHBondContact O-CG 3.34Å; S293-Q297 PolarHBondContact O-N 3.46Å; E294-Q297 WeakPolarHBondContact O-CB 3.48Å; E294-Q297 PolarHBondContact O-N 3.31Å; L295-Q297 PolarHBondContact O-N 3.5Å; Q297-C299 VanDerWaalsContact C-N 3.31Å; Q297-C299 PolarHBondContact O-N 3.26Å; Q297-L300 PolarHBondContact O-N 3.48Å; Q297-L301 WeakPolarHBondContact O-CB 3.41Å; Q297-L301 PolarHBondContact O-N 3.46Å
298L93.2Very high84.5Confident4 Ų443.1 Ų43.12%0.02123%0.234CC..Hα-helixtrans-60.2-43.4176.5-67.9174.5000111.4E272 I276 E294 L295 K296 R302 L318E272-L298 HydrophobicContact CG-CD2 4.18Å; E272-L298 VanDerWaalsContact OE1-CD2 3.24Å; E272-L298 WeakPolarHBondContact OE1-CD2 3.43Å; I276-L298 HydrophobicContact CD1-CD1 4.03Å; I276-L298 HydrophobicContact CD1-CD2 4.03Å; E294-L298 HydrophobicContact CG-CD1 4.45Å; E294-L298 WeakPolarHBondContact O-CG 3.34Å; E294-L298 PolarHBondContact O-N 2.94Å; L295-L298 PolarHBondContact O-N 2.83Å; K296-L298 PolarHBondContact O-N 2.88Å; L298-R302 WeakPolarHBondContact O-CD 3.3Å; L298-R302 PolarHBondContact O-NH1 3.05Å; L298-L318 HydrophobicContact CB-CD1 4.36Å; L298-L318 HydrophobicContact CB-CD2 4.05Å; L298-L318 HydrophobicContact CD1-CD2 4.39Å
299C93.2Very high86.2Confident0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-63.4-49.6176.6-68.50000111.8L295 K296 Q297 L301 R302 G303 I304 P306 V314L295-C299 PolarHBondContact O-N 2.72Å; L295-C299 PolarHBondContact O-SG 3.24Å; K296-C299 PolarHBondContact O-N 3.33Å; Q297-C299 VanDerWaalsContact C-N 3.31Å; Q297-C299 PolarHBondContact O-N 3.26Å; C299-L301 VanDerWaalsContact C-N 3.3Å; C299-L301 PolarHBondContact O-N 3.34Å; C299-R302 PolarHBondContact O-N 3.07Å; C299-R302 VanDerWaalsContact O-N 3.09Å; C299-G303 PolarHBondContact O-N 2.9Å; C299-I304 CarbonylContact C-O 3.28Å; C299-I304 HydrophobicContact CB-CB 3.85Å; C299-I304 HydrophobicContact CB-CG2 4.08Å; C299-I304 PolarHBondContact O-N 2.67Å; C299-P306 HydrophobicContact CB-CB 4.12Å; C299-P306 HydrophobicContact CB-CG 4.33Å; C299-V314 HydrophobicContact CB-CG1 4.47Å; C299-V314 WeakPolarHBondContact SG-CG1 3.4Å
300L93.1Very high87.7Confident16 Ų1640.5 Ų40.58%0.08421%0.213CC..Hα-helixtrans-61.7-37.4-179-70.8164.6000112.4D138 L142 R145 K296 Q297 R302 G303 P306 Y307D138-L300 HydrophobicContact CB-CD1 3.59Å; D138-L300 HydrophobicContact CB-CD2 3.99Å; D138-L300 HydrophobicContact CB-CG 4.46Å; D138-L300 WeakPolarHBondContact OD2-CD1 3.23Å; L142-L300 HydrophobicContact CD1-CD2 4.42Å; L142-L300 HydrophobicContact CD2-CD2 4.5Å; R145-L300 PolarHBondContact NH1-O 3.32Å; K296-L300 WeakPolarHBondContact O-CB 3.45Å; K296-L300 WeakPolarHBondContact O-CD1 3.42Å; K296-L300 WeakPolarHBondContact O-CG 3.11Å; K296-L300 PolarHBondContact O-N 2.9Å; Q297-L300 PolarHBondContact O-N 3.48Å; L300-R302 PolarHBondContact O-N 2.92Å; L300-G303 PolarHBondContact O-N 2.95Å; L300-P306 HydrophobicContact CD2-CG 4.38Å; L300-P306 HydrophobicContact CG-CG 4.16Å; L300-Y307 HydrophobicContact CD1-CE2 4.39Å
301L93.6Very high88.8Confident28 Ų2844.5 Ų44.515%0.14723%0.231CC..Hα-helixtrans-56.3-42.8176.2-171.567.2000111R145 L269 E272 Q297 C299R145-L301 PolarHBondContact NH2-O 2.98Å; L269-L301 HydrophobicContact CD1-CD2 3.98Å; L269-L301 HydrophobicContact CD1-CG 3.88Å; E272-L301 WeakPolarHBondContact OE2-CD2 3.45Å; Q297-L301 WeakPolarHBondContact O-CB 3.41Å; Q297-L301 PolarHBondContact O-N 3.46Å; C299-L301 VanDerWaalsContact C-N 3.3Å; C299-L301 PolarHBondContact O-N 3.34Å
302R93.7Very high89.4Confident0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-85-9.5-176.1-65.8163.3177.879.6-0.2113.9L269 D273 L298 C299 L300 L318 W321L269-R302 HydrophobicContact CD1-CG 4.3Å; D273-R302 IonicContact OD1-CZ 2.76Å; D273-R302 IonicContact OD1-NE 3.25Å; D273-R302 PolarHBondContact OD1-NE 2.93Å; D273-R302 IonicContact OD1-NH2 3.89Å; D273-R302 PolarHBondContact OD1-NH2 3.21Å; L298-R302 WeakPolarHBondContact O-CD 3.3Å; L298-R302 PolarHBondContact O-NH1 3.05Å; C299-R302 PolarHBondContact O-N 3.07Å; C299-R302 VanDerWaalsContact O-N 3.09Å; L300-R302 PolarHBondContact O-N 2.92Å; R302-L318 VanDerWaalsContact CD-CD1 3.41Å; R302-W321 HydrophobicContact CB-CD2 3.74Å; R302-W321 HydrophobicContact CB-CE3 4.18Å; R302-W321 HydrophobicContact CB-CG 4.08Å; R302-W321 HydrophobicContact CB-CH2 4.45Å; R302-W321 HydrophobicContact CB-CZ2 4.06Å; R302-W321 HydrophobicContact CG-CD2 4.01Å; R302-W321 HydrophobicContact CG-CG 4.04Å; R302-W321 HydrophobicContact CG-CZ2 4.16Å; R302-W321 WeakPolarHBondContact O-CH2 3.3Å; R302-W321 WeakPolarHBondContact O-CZ3 3.48Å
303G91.4Very high89.8Confident5 Ų544 Ų445%0.05222%0.221CC..THydrogen-bonded Turntrans97.76179.300000115.2F146 C299 L300F146-G303 VanDerWaalsContact CZ-CA 3.47Å; C299-G303 PolarHBondContact O-N 2.9Å; L300-G303 PolarHBondContact O-N 2.95Å
304I91.2Very high90Very high4 Ų442 Ų422%0.02121%0.206CC..  trans-81134.7176.4-59.9162.3000108.3C299 P306 L309 K317 L318 W321 Y344C299-I304 CarbonylContact C-O 3.28Å; C299-I304 HydrophobicContact CB-CB 3.85Å; C299-I304 HydrophobicContact CB-CG2 4.08Å; C299-I304 PolarHBondContact O-N 2.67Å; I304-P306 WeakPolarHBondContact O-CD 3.49Å; I304-L309 HydrophobicContact CG2-CD1 4.49Å; I304-K317 HydrophobicContact CD1-CB 4.19Å; I304-K317 HydrophobicContact CG2-CB 4.38Å; I304-L318 HydrophobicContact CD1-CB 4.4Å; I304-L318 HydrophobicContact CD1-CD1 4.39Å; I304-W321 HydrophobicContact CD1-CB 4.38Å; I304-Y344 WeakPolarHBondContact CD1-OH 3.32Å; I304-Y344 HydrophobicContact CG1-CE1 4.21Å; I304-Y344 HydrophobicContact CG1-CE2 3.87Å; I304-Y344 VanDerWaalsContact CG1-CZ 3.46Å; I304-Y344 WeakPolarHBondContact CG1-OH 3.18Å
305N91.1Very high90Very high32 Ų3241.5 Ų41.517%0.17120%0.203CC..  trans-88.1104.2172.2-168.6-15.5000110.5L142 Y307 L308L142-N305 HydrophobicContact CD2-CB 3.45Å; L142-N305 VanDerWaalsContact CD2-CB 3.45Å; N305-Y307 PolarHBondContact O-N 3.29Å; N305-Y307 PolarHBondContact OD1-N 2.89Å; N305-Y307 VanDerWaalsContact OD1-N 3.09Å; N305-L308 HydrophobicContact CB-CD1 4.34Å; N305-L308 VanDerWaalsContact ND2-CD1 3.27Å; N305-L308 WeakPolarHBondContact ND2-CD1 3.24Å; N305-L308 WeakPolarHBondContact ND2-CG 3.45Å
306P91.2Very high90Very high10 Ų1045.6 Ų45.67%0.06522%0.222CC..THydrogen-bonded Turntrans-79.4-5.6-177.535.8-38.7000113.3K296 C299 L300 I304 V314K296-P306 HydrophobicContact CB-CB 4.36Å; K296-P306 HydrophobicContact CB-CG 3.93Å; K296-P306 HydrophobicContact CG-CB 3.89Å; K296-P306 HydrophobicContact CG-CG 3.83Å; C299-P306 HydrophobicContact CB-CB 4.12Å; C299-P306 HydrophobicContact CB-CG 4.33Å; L300-P306 HydrophobicContact CD2-CG 4.38Å; L300-P306 HydrophobicContact CG-CG 4.16Å; I304-P306 WeakPolarHBondContact O-CD 3.49Å; P306-V314 HydrophobicContact CB-CG1 4.06Å; P306-V314 HydrophobicContact CB-CG2 4.21Å
307Y90Very high89.9Confident42 Ų4246.2 Ų46.217%0.16523%0.225CC..THydrogen-bonded Turntrans-92.7-10.3-174.2-62.7-77.7000114.2K135 D138 K296 L300 N305K135-Y307 HydrophobicContact CB-CD1 4.01Å; K135-Y307 HydrophobicContact CB-CE1 3.69Å; K135-Y307 HydrophobicContact CD-CD1 4.03Å; K135-Y307 HydrophobicContact CG-CD1 3.6Å; K135-Y307 HydrophobicContact CG-CE1 3.84Å; K135-Y307 HydrophobicContact CG-CG 4.03Å; D138-Y307 HydrophobicContact CB-CE2 3.58Å; D138-Y307 PolarHBondContact OD2-OH 3.38Å; K296-Y307 HydrophobicContact CD-CE1 4.08Å; L300-Y307 HydrophobicContact CD1-CE2 4.39Å; N305-Y307 PolarHBondContact O-N 3.29Å; N305-Y307 PolarHBondContact OD1-N 2.89Å; N305-Y307 VanDerWaalsContact OD1-N 3.09Å
308L86Confident89.9Confident96 Ų9643.9 Ų43.950%0.50321%0.214SC..SBendtrans-101.7-5179.7-63.3178.4000113N305N305-L308 HydrophobicContact CB-CD1 4.34Å; N305-L308 VanDerWaalsContact ND2-CD1 3.27Å; N305-L308 WeakPolarHBondContact ND2-CD1 3.24Å; N305-L308 WeakPolarHBondContact ND2-CG 3.45Å
309L84.8Confident89.7Confident44 Ų4447 Ų4723%0.2323%0.229CC..SBendtrans-125.1153.8-166.7-65.3173.6000109.9I304 D313 V314 K317I304-L309 HydrophobicContact CG2-CD1 4.49Å; L309-D313 HydrophobicContact CB-CB 4.27Å; L309-D313 HydrophobicContact CD2-CB 4.42Å; L309-V314 HydrophobicContact CB-CG2 3.51Å; L309-V314 HydrophobicContact CD1-CG2 4.23Å; L309-K317 HydrophobicContact CD1-CD 3.69Å
310N87.2Confident89.6Confident120 Ų12050.2 Ų50.264%0.64224%0.241SC*.  trans-71.4155.8170.2-63.6-33.9000110K312 D313 V314N310-K312 PolarHBondContact O-N 3.42Å; N310-K312 VanDerWaalsContact O-N 3.13Å; N310-D313 PolarHBondContact O-N 2.89Å; N310-D313 VanDerWaalsContact O-N 3.08Å; N310-V314 WeakPolarHBondContact O-CG2 3.4Å; N310-V314 PolarHBondContact O-N 2.95Å
311E85.5Confident89.6Confident108 Ų10849.4 Ų49.451%0.50524%0.237SC..Hα-helixtrans-57.4-34.2-176-164.8-177142.600112.8L295 K315L295-E311 HydrophobicContact CD2-CG 4.09Å; E311-K315 HydrophobicContact CG-CD 4.41Å; E311-K315 VanDerWaalsContact O-CG 3.29Å; E311-K315 WeakPolarHBondContact O-CG 3.33Å; E311-K315 PolarHBondContact O-N 2.84Å; E311-K315 WeakPolarHBondContact OE1-CE 3.43Å; E311-K315 IonicContact OE1-NZ 3.78Å; E311-K315 PolarHBondContact OE1-NZ 3.3Å
312K86.6Confident89.5Confident144 Ų14448.4 Ų48.463%0.62623%0.231SC*.Hα-helixtrans-62.4-52.7174.9-169.7-176.8178.5-168.40111.6N310 V314 K315 E316N310-K312 PolarHBondContact O-N 3.42Å; N310-K312 VanDerWaalsContact O-N 3.13Å; K312-V314 VanDerWaalsContact C-N 3.28Å; K312-V314 PolarHBondContact O-N 3.48Å; K312-K315 WeakPolarHBondContact O-CB 3.4Å; K312-K315 PolarHBondContact O-N 3.47Å; K312-E316 WeakPolarHBondContact CE-OE1 3.4Å; K312-E316 PolarHBondContact O-N 2.94Å
313D87.9Confident89.4Confident55 Ų5550.7 Ų50.729%0.29425%0.247SC..Hα-helixtrans-64.1-35.8-179.4-47-26.6000111.6L309 N310 K315 E316 K317L309-D313 HydrophobicContact CB-CB 4.27Å; L309-D313 HydrophobicContact CD2-CB 4.42Å; N310-D313 PolarHBondContact O-N 2.89Å; N310-D313 VanDerWaalsContact O-N 3.08Å; D313-K315 VanDerWaalsContact C-N 3.34Å; D313-E316 PolarHBondContact O-N 3.41Å; D313-K317 WeakPolarHBondContact O-CB 3.45Å; D313-K317 WeakPolarHBondContact O-CG 3.39Å; D313-K317 PolarHBondContact O-N 3.21Å
314V88.7Confident89.4Confident4 Ų450.4 Ų50.42%0.02425%0.245CC..Hα-helixtrans-60.7-45.1173.6174.80000110.6L295 C299 P306 L309 N310 K312 L318L295-V314 HydrophobicContact CD2-CG1 4.01Å; L295-V314 HydrophobicContact CG-CG1 4.12Å; C299-V314 HydrophobicContact CB-CG1 4.47Å; C299-V314 WeakPolarHBondContact SG-CG1 3.4Å; P306-V314 HydrophobicContact CB-CG1 4.06Å; P306-V314 HydrophobicContact CB-CG2 4.21Å; L309-V314 HydrophobicContact CB-CG2 3.51Å; L309-V314 HydrophobicContact CD1-CG2 4.23Å; N310-V314 WeakPolarHBondContact O-CG2 3.4Å; N310-V314 PolarHBondContact O-N 2.95Å; K312-V314 VanDerWaalsContact C-N 3.28Å; K312-V314 PolarHBondContact O-N 3.48Å; V314-L318 WeakPolarHBondContact O-CB 3.32Å; V314-L318 PolarHBondContact O-N 3.36Å
315K88.6Confident89.4Confident34 Ų3450.2 Ų50.215%0.14824%0.244CC..Hα-helixtrans-64.3-46.4177.9-75.4167.7170169.80111.4L287 L295 E311 K312 D313 K317 L318 Q319L287-K315 HydrophobicContact CD2-CD 3.92Å; L295-K315 HydrophobicContact CD1-CG 4.24Å; L295-K315 HydrophobicContact CD2-CG 4Å; E311-K315 HydrophobicContact CG-CD 4.41Å; E311-K315 VanDerWaalsContact O-CG 3.29Å; E311-K315 WeakPolarHBondContact O-CG 3.33Å; E311-K315 PolarHBondContact O-N 2.84Å; E311-K315 WeakPolarHBondContact OE1-CE 3.43Å; E311-K315 IonicContact OE1-NZ 3.78Å; E311-K315 PolarHBondContact OE1-NZ 3.3Å; K312-K315 WeakPolarHBondContact O-CB 3.4Å; K312-K315 PolarHBondContact O-N 3.47Å; D313-K315 VanDerWaalsContact C-N 3.34Å; K315-K317 PolarHBondContact O-N 3.47Å; K315-L318 PolarHBondContact O-N 3.22Å; K315-Q319 WeakPolarHBondContact O-CB 3.44Å; K315-Q319 VanDerWaalsContact O-CG 3.31Å; K315-Q319 WeakPolarHBondContact O-CG 3.46Å; K315-Q319 PolarHBondContact O-N 3.06Å
316E88.7Confident89.5Confident94 Ų9449.8 Ų49.844%0.43924%0.242SC..Hα-helixtrans-60.3-45.6177.8-71.6176.1-172.700111.8K312 D313 L318 Q319 Y320K312-E316 WeakPolarHBondContact CE-OE1 3.4Å; K312-E316 PolarHBondContact O-N 2.94Å; D313-E316 PolarHBondContact O-N 3.41Å; E316-L318 VanDerWaalsContact C-N 3.32Å; E316-L318 PolarHBondContact O-N 3.3Å; E316-Q319 WeakPolarHBondContact O-CB 3.48Å; E316-Q319 PolarHBondContact O-N 3.2Å; E316-Y320 WeakPolarHBondContact O-CB 3.41Å; E316-Y320 PolarHBondContact O-N 3.06Å
317K89.8Confident89.4Confident80 Ų8053.2 Ų53.235%0.34826%0.26SS..Hα-helixtrans-63.6-37.9175.9-74.3-170.1-177.2-174.20112.7I304 L309 D313 K315 W321I304-K317 HydrophobicContact CD1-CB 4.19Å; I304-K317 HydrophobicContact CG2-CB 4.38Å; L309-K317 HydrophobicContact CD1-CD 3.69Å; D313-K317 WeakPolarHBondContact O-CB 3.45Å; D313-K317 WeakPolarHBondContact O-CG 3.39Å; D313-K317 PolarHBondContact O-N 3.21Å; K315-K317 PolarHBondContact O-N 3.47Å; K317-W321 PolarHBondContact O-N 3.33Å
318L91.6Very high89.4Confident1 Ų151.3 Ų51.31%0.00525%0.253CS..Hα-helixtrans-68.6-43.7177.3-17862.3000111.5F282 L295 L298 R302 I304 V314 K315 E316 Y320 W321 I322F282-L318 HydrophobicContact CZ-CD2 4.11Å; F282-L318 HydrophobicContact CZ-CG 4.13Å; L295-L318 HydrophobicContact CD1-CD2 3.56Å; L298-L318 HydrophobicContact CB-CD1 4.36Å; L298-L318 HydrophobicContact CB-CD2 4.05Å; L298-L318 HydrophobicContact CD1-CD2 4.39Å; R302-L318 VanDerWaalsContact CD-CD1 3.41Å; I304-L318 HydrophobicContact CD1-CB 4.4Å; I304-L318 HydrophobicContact CD1-CD1 4.39Å; V314-L318 WeakPolarHBondContact O-CB 3.32Å; V314-L318 PolarHBondContact O-N 3.36Å; K315-L318 PolarHBondContact O-N 3.22Å; E316-L318 VanDerWaalsContact C-N 3.32Å; E316-L318 PolarHBondContact O-N 3.3Å; L318-Y320 VanDerWaalsContact C-N 3.32Å; L318-Y320 PolarHBondContact O-N 3.04Å; L318-W321 WeakPolarHBondContact O-CB 3.33Å; L318-W321 PolarHBondContact O-N 2.99Å; L318-I322 HydrophobicContact CD1-CD1 4.03Å; L318-I322 HydrophobicContact CD1-CG1 4.4Å; L318-I322 HydrophobicContact CG-CD1 3.82Å; L318-I322 WeakPolarHBondContact O-CD1 3.33Å; L318-I322 VanDerWaalsContact O-CG1 3.23Å; L318-I322 WeakPolarHBondContact O-CG1 3.41Å; L318-I322 PolarHBondContact O-N 2.91Å
319Q90.9Very high89.5Confident71 Ų7149.4 Ų49.433%0.33225%0.247SC..Hα-helixtrans-56.2-48.8173.8-77.817111.700111.3F282 K315 E316 I322 S323F282-Q319 HydrophobicContact CB-CG 3.99Å; F282-Q319 HydrophobicContact CD1-CG 3.37Å; F282-Q319 HydrophobicContact CD2-CB 4.48Å; F282-Q319 HydrophobicContact CD2-CG 3.38Å; F282-Q319 HydrophobicContact CE1-CG 3.5Å; F282-Q319 VanDerWaalsContact CE1-CG 3.5Å; F282-Q319 HydrophobicContact CE2-CB 4.37Å; F282-Q319 HydrophobicContact CE2-CG 3.51Å; F282-Q319 HydrophobicContact CG-CG 3.28Å; F282-Q319 HydrophobicContact CZ-CB 4.48Å; F282-Q319 HydrophobicContact CZ-CG 3.56Å; K315-Q319 WeakPolarHBondContact O-CB 3.44Å; K315-Q319 VanDerWaalsContact O-CG 3.31Å; K315-Q319 WeakPolarHBondContact O-CG 3.46Å; K315-Q319 PolarHBondContact O-N 3.06Å; E316-Q319 WeakPolarHBondContact O-CB 3.48Å; E316-Q319 PolarHBondContact O-N 3.2Å; Q319-I322 PolarHBondContact O-N 3.22Å; Q319-S323 PolarHBondContact O-N 3.42Å
320Y90Very high89.6Confident66 Ų6647.7 Ų47.726%0.25924%0.241SC..Hα-helixtrans-63.6-40.9179.3175.7-105.5000111.9I195 E316 L318 I322 S323 L324 L343I195-Y320 PolarHBondContact O-OH 3.31Å; E316-Y320 WeakPolarHBondContact O-CB 3.41Å; E316-Y320 PolarHBondContact O-N 3.06Å; L318-Y320 VanDerWaalsContact C-N 3.32Å; L318-Y320 PolarHBondContact O-N 3.04Å; Y320-I322 VanDerWaalsContact C-N 3.34Å; Y320-I322 PolarHBondContact O-N 3.48Å; Y320-S323 PolarHBondContact O-OG 3.23Å; Y320-L324 HydrophobicContact CD1-CD1 4.08Å; Y320-L324 HydrophobicContact CD2-CD1 4.39Å; Y320-L324 HydrophobicContact CE1-CD1 3.58Å; Y320-L324 HydrophobicContact CE2-CD1 3.92Å; Y320-L324 HydrophobicContact CE2-CD2 4.49Å; Y320-L324 HydrophobicContact CE2-CG 4.33Å; Y320-L324 HydrophobicContact CG-CD1 4.47Å; Y320-L324 VanDerWaalsContact CZ-CD1 3.49Å; Y320-L324 VanDerWaalsContact O-CG 3.24Å; Y320-L324 WeakPolarHBondContact O-CG 3.49Å; Y320-L324 PolarHBondContact O-N 3.26Å; Y320-L343 HydrophobicContact CE1-CD1 4.38Å; Y320-L343 HydrophobicContact CE1-CD2 3.93Å
321W92.4Very high89.7Confident0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-57.3-48.8171.2175-76.9000112.3L269 R302 I304 K317 L318 L324 S325 L339 P340 L343 Y344L269-W321 HydrophobicContact CD2-CZ2 3.97Å; R302-W321 HydrophobicContact CB-CD2 3.74Å; R302-W321 HydrophobicContact CB-CE3 4.18Å; R302-W321 HydrophobicContact CB-CG 4.08Å; R302-W321 HydrophobicContact CB-CH2 4.45Å; R302-W321 HydrophobicContact CB-CZ2 4.06Å; R302-W321 HydrophobicContact CG-CD2 4.01Å; R302-W321 HydrophobicContact CG-CG 4.04Å; R302-W321 HydrophobicContact CG-CZ2 4.16Å; R302-W321 WeakPolarHBondContact O-CH2 3.3Å; R302-W321 WeakPolarHBondContact O-CZ3 3.48Å; I304-W321 HydrophobicContact CD1-CB 4.38Å; K317-W321 PolarHBondContact O-N 3.33Å; L318-W321 WeakPolarHBondContact O-CB 3.33Å; L318-W321 PolarHBondContact O-N 2.99Å; W321-L324 PolarHBondContact O-N 3.32Å; W321-S325 WeakPolarHBondContact O-CB 3.48Å; W321-S325 PolarHBondContact O-N 3.19Å; W321-L339 HydrophobicContact CH2-CB 3.31Å; W321-L339 HydrophobicContact CH2-CD1 4.44Å; W321-L339 HydrophobicContact CZ2-CB 3.88Å; W321-L339 HydrophobicContact CZ2-CD1 4.21Å; W321-L339 HydrophobicContact CZ3-CB 3.69Å; W321-P340 HydrophobicContact CH2-CB 4.07Å; W321-P340 HydrophobicContact CH2-CG 3.62Å; W321-P340 HydrophobicContact CZ3-CB 4.24Å; W321-P340 HydrophobicContact CZ3-CG 4.28Å; W321-L343 HydrophobicContact CE3-CD1 3.59Å; W321-L343 HydrophobicContact CZ3-CD1 3.9Å; W321-Y344 AromaticContact CE3-CE2 3.73Å; W321-Y344 HydrophobicContact CE3-CE2 3.73Å; W321-Y344 AromaticContact CE3-CZ 4Å; W321-Y344 HydrophobicContact CZ3-CD2 4.45Å; W321-Y344 AromaticContact CZ3-CE2 3.65Å; W321-Y344 HydrophobicContact CZ3-CE2 3.65Å
322I92.8Very high90.1Very high6 Ų641.7 Ų41.73%0.03122%0.215CC..Hα-helixtrans-63.8-45.3-173.7-71.1163000110D273 I276 Q277 F282 L318 Q319 Y320 L324 S325 T326D273-I322 HydrophobicContact CB-CG2 4.2Å; D273-I322 WeakPolarHBondContact OD1-CG1 3.33Å; I276-I322 HydrophobicContact CB-CD1 4.08Å; I276-I322 HydrophobicContact CD1-CD1 3.93Å; I276-I322 HydrophobicContact CG2-CD1 3.55Å; Q277-I322 HydrophobicContact CB-CG2 4.45Å; F282-I322 HydrophobicContact CE2-CD1 3.77Å; F282-I322 HydrophobicContact CZ-CD1 3.99Å; L318-I322 HydrophobicContact CD1-CD1 4.03Å; L318-I322 HydrophobicContact CD1-CG1 4.4Å; L318-I322 HydrophobicContact CG-CD1 3.82Å; L318-I322 WeakPolarHBondContact O-CD1 3.33Å; L318-I322 VanDerWaalsContact O-CG1 3.23Å; L318-I322 WeakPolarHBondContact O-CG1 3.41Å; L318-I322 PolarHBondContact O-N 2.91Å; Q319-I322 PolarHBondContact O-N 3.22Å; Y320-I322 VanDerWaalsContact C-N 3.34Å; Y320-I322 PolarHBondContact O-N 3.48Å; I322-L324 VanDerWaalsContact C-N 3.26Å; I322-L324 PolarHBondContact O-N 3.27Å; I322-S325 PolarHBondContact O-N 2.98Å; I322-T326 HydrophobicContact CG2-CG2 4.35Å; I322-T326 WeakPolarHBondContact O-CG2 3.29Å; I322-T326 PolarHBondContact O-N 3.14Å; I322-T326 PolarHBondContact O-OG1 2.86Å; I322-T326 VanDerWaalsContact O-OG1 3.12Å
323S91Very high90.4Very high48 Ų4836.3 Ų36.334%0.33619%0.192SC..Hα-helixtrans-56.9-43.2177.966.10000111Q319 Y320 T326 L327Q319-S323 PolarHBondContact O-N 3.42Å; Y320-S323 PolarHBondContact O-OG 3.23Å; S323-T326 PolarHBondContact O-OG1 3.39Å; S323-L327 VanDerWaalsContact O-CG 3.32Å; S323-L327 WeakPolarHBondContact O-CG 3.36Å; S323-L327 PolarHBondContact O-N 3.24Å
324L91.1Very high90.8Very high0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-68.8-41.1178.4-62.5175.8000113.5A197 I200 Y320 W321 I322 T326 L327 L339 L343A197-L324 HydrophobicContact CB-CD2 4Å; I200-L324 HydrophobicContact CB-CD2 4.11Å; I200-L324 HydrophobicContact CD1-CB 4.39Å; I200-L324 HydrophobicContact CD1-CD1 3.29Å; I200-L324 HydrophobicContact CD1-CD2 3.34Å; I200-L324 HydrophobicContact CD1-CG 3.79Å; I200-L324 HydrophobicContact CG1-CD2 4.25Å; I200-L324 HydrophobicContact CG2-CD2 4.13Å; Y320-L324 HydrophobicContact CD1-CD1 4.08Å; Y320-L324 HydrophobicContact CD2-CD1 4.39Å; Y320-L324 HydrophobicContact CE1-CD1 3.58Å; Y320-L324 HydrophobicContact CE2-CD1 3.92Å; Y320-L324 HydrophobicContact CE2-CD2 4.49Å; Y320-L324 HydrophobicContact CE2-CG 4.33Å; Y320-L324 HydrophobicContact CG-CD1 4.47Å; Y320-L324 VanDerWaalsContact CZ-CD1 3.49Å; Y320-L324 VanDerWaalsContact O-CG 3.24Å; Y320-L324 WeakPolarHBondContact O-CG 3.49Å; Y320-L324 PolarHBondContact O-N 3.26Å; W321-L324 PolarHBondContact O-N 3.32Å; I322-L324 VanDerWaalsContact C-N 3.26Å; I322-L324 PolarHBondContact O-N 3.27Å; L324-T326 VanDerWaalsContact C-N 3.28Å; L324-T326 PolarHBondContact O-N 2.93Å; L324-L327 HydrophobicContact CD2-CD1 4.01Å; L324-L327 PolarHBondContact O-N 3.43Å; L324-L339 HydrophobicContact CB-CD2 4.43Å; L324-L343 HydrophobicContact CD1-CD1 3.83Å; L324-L343 HydrophobicContact CD1-CD2 3.88Å; L324-L343 HydrophobicContact CD1-CG 4.46Å
325S92.6Very high91.1Very high0 Ų033.7 Ų33.70%018%0.178CC..Hα-helixtrans-64.9-33.5179.4-178.40000112.5D273 W321 I322 R336D273-S325 WeakPolarHBondContact OD2-CB 3.31Å; D273-S325 PolarHBondContact OD2-OG 2.9Å; W321-S325 WeakPolarHBondContact O-CB 3.48Å; W321-S325 PolarHBondContact O-N 3.19Å; I322-S325 PolarHBondContact O-N 2.98Å; S325-R336 PolarHBondContact O-NE 2.86Å; S325-R336 PolarHBondContact O-NH2 3.09Å; S325-R336 VanDerWaalsContact OG-CD 3.3Å; S325-R336 WeakPolarHBondContact OG-CD 3.27Å; S325-R336 PolarHBondContact OG-NE 2.98Å
326T92Very high91.4Very high23 Ų2332.2 Ų32.214%0.14117%0.172CC..Hα-helixtrans-86.9-15.4-178.262.80000114.6D273 Q274 Q277 I322 S323 L324 A328D273-T326 HydrophobicContact CB-CG2 3.82Å; Q274-T326 HydrophobicContact CG-CG2 4.37Å; Q277-T326 VanDerWaalsContact OE1-CB 3.3Å; Q277-T326 PolarHBondContact OE1-OG1 3.42Å; I322-T326 HydrophobicContact CG2-CG2 4.35Å; I322-T326 WeakPolarHBondContact O-CG2 3.29Å; I322-T326 PolarHBondContact O-N 3.14Å; I322-T326 PolarHBondContact O-OG1 2.86Å; I322-T326 VanDerWaalsContact O-OG1 3.12Å; S323-T326 PolarHBondContact O-OG1 3.39Å; L324-T326 VanDerWaalsContact C-N 3.28Å; L324-T326 PolarHBondContact O-N 2.93Å; T326-A328 PolarHBondContact O-N 3.35Å
327L90.1Very high91.8Very high82 Ų8227.8 Ų27.843%0.42915%0.151SC..Hα-helixtrans-60.1-34.9170.1-75.5168.7000112.4A197 S323 L324A197-L327 HydrophobicContact CB-CD1 4.19Å; S323-L327 VanDerWaalsContact O-CG 3.32Å; S323-L327 WeakPolarHBondContact O-CG 3.36Å; S323-L327 PolarHBondContact O-N 3.24Å; L324-L327 HydrophobicContact CD2-CD1 4.01Å; L324-L327 PolarHBondContact O-N 3.43Å
328A88.2Confident92Very high2 Ų224 Ų242%0.01713%0.134CC..SBendtrans-85.5156.3179.300000112.1I204 Y270 T326 D332 F335 R336I204-A328 HydrophobicContact CD1-CB 3.87Å; I204-A328 HydrophobicContact CG1-CB 4.37Å; Y270-A328 WeakPolarHBondContact CE2-O 3.46Å; T326-A328 PolarHBondContact O-N 3.35Å; A328-D332 HydrophobicContact CB-CB 3.78Å; A328-F335 HydrophobicContact CB-CD1 3.48Å; A328-F335 VanDerWaalsContact CB-CD1 3.48Å; A328-F335 HydrophobicContact CB-CE1 3.7Å; A328-R336 PolarHBondContact O-NH2 3.28Å
329S89.9Confident92Very high55 Ų5523.9 Ų23.939%0.38513%0.134SC..  trans-61156.6174.9174.60000111T331 D332 R336S329-T331 PolarHBondContact O-N 3.12Å; S329-T331 VanDerWaalsContact O-N 3.1Å; S329-T331 PolarHBondContact OG-N 2.88Å; S329-T331 PolarHBondContact OG-OG1 3Å; S329-T331 VanDerWaalsContact OG-OG1 3.07Å; S329-D332 VanDerWaalsContact CB-OD2 3.31Å; S329-D332 WeakPolarHBondContact CB-OD2 3.24Å; S329-D332 PolarHBondContact N-OD2 3.4Å; S329-D332 WeakPolarHBondContact O-CB 3.34Å; S329-D332 PolarHBondContact O-N 3.27Å; S329-R336 PolarHBondContact O-NH2 3.45Å
330G85.9Confident92Very high9 Ų920.5 Ų20.59%0.09312%0.118CC..THydrogen-bonded Turntrans-56.4-26.7172.200000113.3Y267 Y270 F333 R336Y267-G330 WeakPolarHBondContact CD2-O 3.44Å; Y270-G330 VanDerWaalsContact CD1-CA 3.43Å; G330-F333 WeakPolarHBondContact O-CE1 2.74Å; G330-R336 PolarHBondContact O-NH1 2.92Å
331T89.2Confident92Very high89 Ų8917.4 Ų17.455%0.54611%0.106SC..THydrogen-bonded Turntrans-87.1-4.8178.954.30000114.7S329 F333S329-T331 PolarHBondContact O-N 3.12Å; S329-T331 VanDerWaalsContact O-N 3.1Å; S329-T331 PolarHBondContact OG-N 2.88Å; S329-T331 PolarHBondContact OG-OG1 3Å; S329-T331 VanDerWaalsContact OG-OG1 3.07Å; T331-F333 WeakPolarHBondContact O-CD2 3.31Å; T331-F333 WeakPolarHBondContact O-CE2 3.42Å; T331-F333 WeakPolarHBondContact O-CG 3.36Å; T331-F333 PolarHBondContact O-N 3.33Å
332D93.2Very high91.7Very high13 Ų1318 Ų187%0.0711%0.109CC..  trans-80.156.5-179.8-66.5-25.3000111.1K208 A328 S329 S334 F335 R336K208-D332 WeakPolarHBondContact CE-OD1 3.23Å; K208-D332 WeakPolarHBondContact CE-OD2 3.28Å; K208-D332 IonicContact NZ-OD1 3.6Å; K208-D332 IonicContact NZ-OD2 3.42Å; K208-D332 PolarHBondContact NZ-OD2 2.98Å; A328-D332 HydrophobicContact CB-CB 3.78Å; S329-D332 VanDerWaalsContact CB-OD2 3.31Å; S329-D332 WeakPolarHBondContact CB-OD2 3.24Å; S329-D332 PolarHBondContact N-OD2 3.4Å; S329-D332 WeakPolarHBondContact O-CB 3.34Å; S329-D332 PolarHBondContact O-N 3.27Å; D332-S334 PolarHBondContact O-N 3.48Å; D332-F335 HydrophobicContact CB-CB 4.48Å; D332-F335 PolarHBondContact O-N 3.06Å; D332-R336 PolarHBondContact O-N 2.76Å
333F94.8Very high91.4Very high30 Ų3018.9 Ų18.913%0.13211%0.114CC..Hα-helixtrans-59.8-47.2-172.5-53-60.8000111.7L213 K263 A266 Y267 G330 T331 F335 R336 L337L213-F333 HydrophobicContact CD1-CB 3.73Å; K263-F333 HydrophobicContact CB-CD1 4.43Å; K263-F333 HydrophobicContact CB-CD2 4.31Å; K263-F333 HydrophobicContact CB-CE1 4.47Å; K263-F333 HydrophobicContact CB-CE2 4.37Å; K263-F333 HydrophobicContact CB-CG 4.33Å; K263-F333 HydrophobicContact CB-CZ 4.44Å; K263-F333 HydrophobicContact CD-CD2 3.88Å; K263-F333 HydrophobicContact CD-CE2 3.81Å; K263-F333 HydrophobicContact CG-CB 4.39Å; K263-F333 HydrophobicContact CG-CD2 3.62Å; K263-F333 HydrophobicContact CG-CE2 3.93Å; K263-F333 HydrophobicContact CG-CG 3.93Å; K263-F333 HydrophobicContact CG-CZ 4.48Å; A266-F333 HydrophobicContact CB-CB 4.03Å; A266-F333 HydrophobicContact CB-CD1 3.82Å; A266-F333 HydrophobicContact CB-CG 4.41Å; Y267-F333 AromaticContact CD2-CE1 3.75Å; Y267-F333 HydrophobicContact CD2-CE1 3.75Å; Y267-F333 HydrophobicContact CD2-CZ 4.37Å; Y267-F333 HydrophobicContact CG-CE1 4.27Å; G330-F333 WeakPolarHBondContact O-CE1 2.74Å; T331-F333 WeakPolarHBondContact O-CD2 3.31Å; T331-F333 WeakPolarHBondContact O-CE2 3.42Å; T331-F333 WeakPolarHBondContact O-CG 3.36Å; T331-F333 PolarHBondContact O-N 3.33Å; F333-F335 PolarHBondContact O-N 3.11Å; F333-R336 PolarHBondContact O-N 3.11Å; F333-L337 HydrophobicContact CB-CD1 4.44Å; F333-L337 WeakPolarHBondContact O-CB 3.26Å; F333-L337 WeakPolarHBondContact O-CD1 3.24Å; F333-L337 WeakPolarHBondContact O-CG 3.43Å; F333-L337 PolarHBondContact O-N 2.79Å
334S95.8Very high90.9Very high5 Ų517.6 Ų17.64%0.03510%0.102CC..Hα-helixtrans-62.2-46.8-174.9-167.50000111.1L211 D332 R336 L337 H338L211-S334 VanDerWaalsContact O-CB 3.23Å; L211-S334 WeakPolarHBondContact O-CB 3.27Å; L211-S334 PolarHBondContact O-OG 2.89Å; D332-S334 PolarHBondContact O-N 3.48Å; S334-R336 PolarHBondContact O-N 2.82Å; S334-L337 PolarHBondContact O-N 3.42Å; S334-H338 PolarHBondContact O-N 2.9Å; S334-H338 PolarHBondContact O-ND1 3.25Å; S334-H338 PolarHBondContact OG-CE1 3.17Å; S334-H338 PolarHBondContact OG-ND1 3.17Å
335F95.2Very high90Very high0 Ų019.1 Ų19.10%011%0.108CC..Hα-helixtrans-53.8-53.6176166.1-106000111.3I200 I204 F207 A328 D332 F333 L337 H338 L339I200-F335 HydrophobicContact CG2-CE2 3.72Å; I200-F335 HydrophobicContact CG2-CZ 3.37Å; I204-F335 HydrophobicContact CG1-CD1 4.49Å; I204-F335 HydrophobicContact CG1-CD2 4.34Å; I204-F335 HydrophobicContact CG1-CE2 4.4Å; I204-F335 HydrophobicContact CG1-CG 4.39Å; F207-F335 HydrophobicContact CB-CB 3.76Å; F207-F335 HydrophobicContact CD1-CB 4.35Å; F207-F335 HydrophobicContact CD2-CB 3.72Å; F207-F335 AromaticContact CD2-CD2 3.68Å; F207-F335 HydrophobicContact CD2-CD2 3.68Å; F207-F335 HydrophobicContact CD2-CG 4.18Å; F207-F335 HydrophobicContact CE2-CB 4.39Å; F207-F335 AromaticContact CE2-CD2 3.7Å; F207-F335 HydrophobicContact CE2-CD2 3.7Å; F207-F335 HydrophobicContact CG-CB 3.68Å; F207-F335 HydrophobicContact CG-CD2 4.47Å; F207-F335 HydrophobicContact CZ-CD2 4.49Å; A328-F335 HydrophobicContact CB-CD1 3.48Å; A328-F335 VanDerWaalsContact CB-CD1 3.48Å; A328-F335 HydrophobicContact CB-CE1 3.7Å; D332-F335 HydrophobicContact CB-CB 4.48Å; D332-F335 PolarHBondContact O-N 3.06Å; F333-F335 PolarHBondContact O-N 3.11Å; F335-L337 PolarHBondContact O-N 3.34Å; F335-H338 PolarHBondContact O-N 3.39Å; F335-L339 HydrophobicContact CE1-CD1 3.95Å; F335-L339 HydrophobicContact CE1-CD2 4.29Å; F335-L339 HydrophobicContact CE1-CG 4.15Å; F335-L339 HydrophobicContact CE2-CD2 3.99Å; F335-L339 HydrophobicContact CE2-CG 4.33Å; F335-L339 HydrophobicContact CZ-CD1 4.15Å; F335-L339 HydrophobicContact CZ-CD2 3.63Å; F335-L339 HydrophobicContact CZ-CG 3.95Å; F335-L339 PolarHBondContact O-N 3.39Å; F335-L339 VanDerWaalsContact O-N 3.07Å
336R95.1Very high88.4Confident2 Ų221.5 Ų21.51%0.00812%0.12CC..Hα-helixtrans-61.9-33.7-178-165.7171.7-64.4108.711.1112.8A266 L269 S325 A328 S329 G330 D332 F333 S334 H338 L339A266-R336 WeakPolarHBondContact O-CD 3.46Å; L269-R336 HydrophobicContact CD2-CG 3.69Å; S325-R336 PolarHBondContact O-NE 2.86Å; S325-R336 PolarHBondContact O-NH2 3.09Å; S325-R336 VanDerWaalsContact OG-CD 3.3Å; S325-R336 WeakPolarHBondContact OG-CD 3.27Å; S325-R336 PolarHBondContact OG-NE 2.98Å; A328-R336 PolarHBondContact O-NH2 3.28Å; S329-R336 PolarHBondContact O-NH2 3.45Å; G330-R336 PolarHBondContact O-NH1 2.92Å; D332-R336 PolarHBondContact O-N 2.76Å; F333-R336 PolarHBondContact O-N 3.11Å; S334-R336 PolarHBondContact O-N 2.82Å; R336-H338 VanDerWaalsContact C-N 3.32Å; R336-L339 HydrophobicContact CG-CD1 4.37Å
337L95.8Very high86.6Confident1 Ų123.8 Ų23.81%0.00513%0.132CC..Hα-helixtrans-73.6-23.1176.5-69163.2000113L213 L224 H228 L262 A266 F333 S334 F335 P340L213-L337 HydrophobicContact CD1-CD1 3.9Å; L213-L337 HydrophobicContact CD2-CD1 3.89Å; L213-L337 HydrophobicContact CG-CD1 4.46Å; L224-L337 HydrophobicContact CD2-CB 4.46Å; H228-L337 WeakPolarHBondContact NE2-CA 3.35Å; H228-L337 PolarHBondContact NE2-O 3.02Å; L262-L337 HydrophobicContact CB-CD1 3.73Å; L262-L337 HydrophobicContact CD2-CD1 4.05Å; L262-L337 HydrophobicContact CD2-CD2 3.85Å; L262-L337 HydrophobicContact CG-CD1 4.37Å; A266-L337 HydrophobicContact CB-CD1 4.16Å; A266-L337 HydrophobicContact CB-CD2 4.05Å; A266-L337 HydrophobicContact CB-CG 3.89Å; F333-L337 HydrophobicContact CB-CD1 4.44Å; F333-L337 WeakPolarHBondContact O-CB 3.26Å; F333-L337 WeakPolarHBondContact O-CD1 3.24Å; F333-L337 WeakPolarHBondContact O-CG 3.43Å; F333-L337 PolarHBondContact O-N 2.79Å; S334-L337 PolarHBondContact O-N 3.42Å; F335-L337 PolarHBondContact O-N 3.34Å; L337-P340 WeakPolarHBondContact O-CD 3.37Å
338H94.1Very high84.5Confident0 Ų022.5 Ų22.50%013%0.125CC..Hα-helixtrans-91.3-15176.1-70.491.1000113.4F207 H220 S334 F335 R336 P340 L341 L342F207-H338 AromaticContact CD1-ND1 3.9Å; F207-H338 HydrophobicContact CE1-CB 3.67Å; F207-H338 AromaticContact CE1-CG 3.58Å; F207-H338 AromaticContact CE1-ND1 3.47Å; F207-H338 WeakPolarHBondContact CE1-ND1 3.25Å; F207-H338 HydrophobicContact CZ-CB 3.93Å; H220-H338 AromaticContact CD2-NE2 3.91Å; H220-H338 AromaticContact CE1-NE2 3.76Å; H220-H338 AromaticContact NE2-CD2 3.97Å; H220-H338 AromaticContact NE2-CE1 3.76Å; H220-H338 AromaticContact NE2-NE2 2.89Å; H220-H338 PolarHBondContact NE2-NE2 2.97Å; S334-H338 PolarHBondContact O-N 2.9Å; S334-H338 PolarHBondContact O-ND1 3.25Å; S334-H338 PolarHBondContact OG-CE1 3.17Å; S334-H338 PolarHBondContact OG-ND1 3.17Å; F335-H338 PolarHBondContact O-N 3.39Å; R336-H338 VanDerWaalsContact C-N 3.32Å; H338-P340 VanDerWaalsContact C-N 3.34Å; H338-L341 WeakPolarHBondContact O-CA 3.44Å; H338-L341 VanDerWaalsContact O-CB 3.31Å; H338-L341 WeakPolarHBondContact O-CB 3.46Å; H338-L341 PolarHBondContact O-N 2.98Å; H338-L342 WeakPolarHBondContact O-CG 3.47Å; H338-L342 PolarHBondContact O-N 3.12Å
339L92Very high82.2Confident0 Ų026.5 Ų26.50%015%0.146CC..Hα-helixtrans-48.8-41.9176.2-82.3174000115.1W321 L324 F335 R336 L341 L342 L343W321-L339 HydrophobicContact CH2-CB 3.31Å; W321-L339 HydrophobicContact CH2-CD1 4.44Å; W321-L339 HydrophobicContact CZ2-CB 3.88Å; W321-L339 HydrophobicContact CZ2-CD1 4.21Å; W321-L339 HydrophobicContact CZ3-CB 3.69Å; L324-L339 HydrophobicContact CB-CD2 4.43Å; F335-L339 HydrophobicContact CE1-CD1 3.95Å; F335-L339 HydrophobicContact CE1-CD2 4.29Å; F335-L339 HydrophobicContact CE1-CG 4.15Å; F335-L339 HydrophobicContact CE2-CD2 3.99Å; F335-L339 HydrophobicContact CE2-CG 4.33Å; F335-L339 HydrophobicContact CZ-CD1 4.15Å; F335-L339 HydrophobicContact CZ-CD2 3.63Å; F335-L339 HydrophobicContact CZ-CG 3.95Å; F335-L339 PolarHBondContact O-N 3.39Å; F335-L339 VanDerWaalsContact O-N 3.07Å; R336-L339 HydrophobicContact CG-CD1 4.37Å; L339-L341 PolarHBondContact O-N 3.37Å; L339-L342 PolarHBondContact O-N 3.25Å; L339-L342 VanDerWaalsContact O-N 3.16Å; L339-L343 HydrophobicContact CD2-CD1 4.26Å; L339-L343 HydrophobicContact CD2-CG 4.43Å; L339-L343 WeakPolarHBondContact O-CB 3.12Å; L339-L343 WeakPolarHBondContact O-CG 3.2Å; L339-L343 PolarHBondContact O-N 3.31Å
340P91.3Very high79.8Confident0 Ų028.4 Ų28.40%015%0.151CC..Hα-helixtrans-66-31.9-179.2-5.417.2000111.9F146 L227 H228 W321 L337 H338 Y344F146-P340 HydrophobicContact CE1-CB 3.86Å; F146-P340 HydrophobicContact CZ-CB 3.69Å; L227-P340 HydrophobicContact CD2-CB 4.19Å; L227-P340 HydrophobicContact CD2-CG 4.1Å; L227-P340 HydrophobicContact CG-CB 4.37Å; L227-P340 HydrophobicContact CG-CG 4.42Å; H228-P340 VanDerWaalsContact CE1-CG 3.41Å; H228-P340 WeakPolarHBondContact CE1-CG 3.44Å; W321-P340 HydrophobicContact CH2-CB 4.07Å; W321-P340 HydrophobicContact CH2-CG 3.62Å; W321-P340 HydrophobicContact CZ3-CB 4.24Å; W321-P340 HydrophobicContact CZ3-CG 4.28Å; L337-P340 WeakPolarHBondContact O-CD 3.37Å; H338-P340 VanDerWaalsContact C-N 3.34Å; P340-Y344 HydrophobicContact CB-CD2 4.42Å; P340-Y344 WeakPolarHBondContact O-CB 3.37Å; P340-Y344 PolarHBondContact O-N 3.23Å; P340-Y344 VanDerWaalsContact O-N 3.11Å
341L89.1Confident77.5Confident0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-68.8-52172.3-17475.5000109.5Q151 L154 L158 L227 H338 L339 L343 Y345Q151-L341 HydrophobicContact CB-CD1 4.08Å; Q151-L341 HydrophobicContact CG-CD1 4.25Å; L154-L341 HydrophobicContact CB-CD1 4.32Å; L154-L341 HydrophobicContact CB-CD2 3.79Å; L158-L341 HydrophobicContact CD1-CD2 3.62Å; L227-L341 HydrophobicContact CD2-CB 4.23Å; H338-L341 WeakPolarHBondContact O-CA 3.44Å; H338-L341 VanDerWaalsContact O-CB 3.31Å; H338-L341 WeakPolarHBondContact O-CB 3.46Å; H338-L341 PolarHBondContact O-N 2.98Å; L339-L341 PolarHBondContact O-N 3.37Å; L341-L343 VanDerWaalsContact C-N 3.27Å; L341-L343 PolarHBondContact O-N 3.15Å; L341-Y345 HydrophobicContact CD1-CD2 3.65Å; L341-Y345 HydrophobicContact CD1-CE2 4.27Å; L341-Y345 HydrophobicContact CG-CD2 4.4Å; L341-Y345 WeakPolarHBondContact O-CB 3.48Å; L341-Y345 PolarHBondContact O-N 2.52Å
342L86.7Confident75.1Confident14 Ų1431.8 Ų31.87%0.07316%0.158CC..Hα-helixtrans-60.1-35.6-175.8-63.8175.2000113.4L186 I195 F207 H338 L339L186-L342 HydrophobicContact CD2-CD2 3.88Å; I195-L342 HydrophobicContact CD1-CB 4.47Å; F207-L342 HydrophobicContact CE2-CD1 4.42Å; F207-L342 HydrophobicContact CZ-CD1 4.14Å; H338-L342 WeakPolarHBondContact O-CG 3.47Å; H338-L342 PolarHBondContact O-N 3.12Å; L339-L342 PolarHBondContact O-N 3.25Å; L339-L342 VanDerWaalsContact O-N 3.16Å
343L85.5Confident72.2Confident23 Ų2337.1 Ų37.112%0.1219%0.186CC..Hα-helixtrans-93.3-29.6-175.3-62.4-178.9000114.2I200 Y320 W321 L324 L339 L341I200-L343 HydrophobicContact CD1-CD2 4.36Å; Y320-L343 HydrophobicContact CE1-CD1 4.38Å; Y320-L343 HydrophobicContact CE1-CD2 3.93Å; W321-L343 HydrophobicContact CE3-CD1 3.59Å; W321-L343 HydrophobicContact CZ3-CD1 3.9Å; L324-L343 HydrophobicContact CD1-CD1 3.83Å; L324-L343 HydrophobicContact CD1-CD2 3.88Å; L324-L343 HydrophobicContact CD1-CG 4.46Å; L339-L343 HydrophobicContact CD2-CD1 4.26Å; L339-L343 HydrophobicContact CD2-CG 4.43Å; L339-L343 WeakPolarHBondContact O-CB 3.12Å; L339-L343 WeakPolarHBondContact O-CG 3.2Å; L339-L343 PolarHBondContact O-N 3.31Å; L341-L343 VanDerWaalsContact C-N 3.27Å; L341-L343 PolarHBondContact O-N 3.15Å
344Y80.8Confident69.3Low22 Ų2238.4 Ų38.49%0.08620%0.199CC..Hα-helixtrans-122.110.5-170.6-47.8-53.9000114F146 I304 W321 P340 N346 N347F146-Y344 HydrophobicContact CE1-CD2 4.47Å; I304-Y344 WeakPolarHBondContact CD1-OH 3.32Å; I304-Y344 HydrophobicContact CG1-CE1 4.21Å; I304-Y344 HydrophobicContact CG1-CE2 3.87Å; I304-Y344 VanDerWaalsContact CG1-CZ 3.46Å; I304-Y344 WeakPolarHBondContact CG1-OH 3.18Å; W321-Y344 AromaticContact CE3-CE2 3.73Å; W321-Y344 HydrophobicContact CE3-CE2 3.73Å; W321-Y344 AromaticContact CE3-CZ 4Å; W321-Y344 HydrophobicContact CZ3-CD2 4.45Å; W321-Y344 AromaticContact CZ3-CE2 3.65Å; W321-Y344 HydrophobicContact CZ3-CE2 3.65Å; P340-Y344 HydrophobicContact CB-CD2 4.42Å; P340-Y344 WeakPolarHBondContact O-CB 3.37Å; P340-Y344 PolarHBondContact O-N 3.23Å; P340-Y344 VanDerWaalsContact O-N 3.11Å; Y344-N346 PolarHBondContact O-N 3.29Å; Y344-N347 PolarHBondContact O-N 3.01Å
345Y73Confident66.4Low32 Ų3243.1 Ų43.113%0.12522%0.223CC..THydrogen-bonded Turntrans-54.4131.9166.7-164-102.6000109.2Q151 K155 A189 L341 N347Q151-Y345 HydrophobicContact CB-CD2 4.11Å; Q151-Y345 HydrophobicContact CB-CE2 3.89Å; K155-Y345 HydrophobicContact CB-CE2 4.1Å; K155-Y345 HydrophobicContact CD-CE1 3.72Å; K155-Y345 HydrophobicContact CD-CE2 3.89Å; K155-Y345 VanDerWaalsContact CD-OH 3.25Å; K155-Y345 WeakPolarHBondContact CD-OH 3.43Å; A189-Y345 HydrophobicContact CB-CD1 4.35Å; L341-Y345 HydrophobicContact CD1-CD2 3.65Å; L341-Y345 HydrophobicContact CD1-CE2 4.27Å; L341-Y345 HydrophobicContact CG-CD2 4.4Å; L341-Y345 WeakPolarHBondContact O-CB 3.48Å; L341-Y345 PolarHBondContact O-N 2.52Å; Y345-N347 VanDerWaalsContact C-N 3.28Å; Y345-N347 PolarHBondContact O-N 2.9Å; Y345-N347 VanDerWaalsContact O-N 3.17Å
346N59.7Low63.5Low49 Ų4949.1 Ų49.126%0.26226%0.255SS..THydrogen-bonded Turntrans70.5-15-178-54.9-30.6000118.7A189 Y344 I348 D349A189-N346 PolarHBondContact O-ND2 3.36Å; Y344-N346 PolarHBondContact O-N 3.29Å; N346-I348 PolarHBondContact O-N 3.1Å; N346-I348 VanDerWaalsContact O-N 3.16Å; N346-D349 PolarHBondContact O-N 2.68Å
347N52.8Low60.5Low72 Ų7257 Ų5739%0.38529%0.289SS..THydrogen-bonded Turntrans-72.2-8.9-174.5-88.8-31.7000115.4Y344 Y345Y344-N347 PolarHBondContact O-N 3.01Å; Y345-N347 VanDerWaalsContact C-N 3.28Å; Y345-N347 PolarHBondContact O-N 2.9Å; Y345-N347 VanDerWaalsContact O-N 3.17Å
348I46.7Very low57.3Low54 Ų5470.2 Ų70.228%0.27734%0.341SS..THydrogen-bonded Turntrans-90.3-28.7179.3-58.7177.4000111.5F146 N346F146-I348 HydrophobicContact CB-CD1 3.22Å; F146-I348 HydrophobicContact CD1-CD1 4.12Å; F146-I348 HydrophobicContact CD2-CD1 4.38Å; F146-I348 HydrophobicContact CG-CD1 3.69Å; N346-I348 PolarHBondContact O-N 3.1Å; N346-I348 VanDerWaalsContact O-N 3.16Å
349D38.7Very low55.5Low86 Ų8673.7 Ų73.746%0.4636%0.358SS..Hα-helixtrans-78.3-30.7-177.8-72.7-22.3000112.7N346 H351 H352N346-D349 PolarHBondContact O-N 2.68Å; D349-H351 VanDerWaalsContact C-N 3.28Å; D349-H351 PolarHBondContact O-N 2.93Å; D349-H352 PolarHBondContact O-N 3.26Å
350I39.9Very low53.6Low96 Ų9677.6 Ų77.649%0.49238%0.376SS..Hα-helixtrans-65.2-31.5-176.3-60.4173.9000111.9
351H38.3Very low51.5Low99 Ų9981.9 Ų81.946%0.45840%0.397SS..Hα-helixtrans-88.7-16.1178.7-80.9-67.2000114.7D349 S354 I355D349-H351 VanDerWaalsContact C-N 3.28Å; D349-H351 PolarHBondContact O-N 2.93Å; H351-S354 PolarHBondContact O-N 2.93Å; H351-S354 PolarHBondContact O-OG 2.94Å; H351-I355 PolarHBondContact O-N 3.28Å
352H37.6Very low49.3Very low69 Ų6986.7 Ų86.732%0.31942%0.421SS..Hα-helixtrans-69.6-37.3175.2-117.9-60.3000111.3K143 D349 S354 I355 D356K143-H352 PolarHBondContact NZ-NE2 3.25Å; D349-H352 PolarHBondContact O-N 3.26Å; H352-S354 PolarHBondContact O-N 2.83Å; H352-I355 PolarHBondContact O-N 3.42Å; H352-D356 IonicContact ND1-OD2 2.57Å; H352-D356 PolarHBondContact ND1-OD2 3.16Å; H352-D356 PolarHBondContact O-N 3.23Å
353N33.7Very low47Very low126 Ų12691.3 Ų91.367%0.67444%0.442SS*.Hα-helixtrans-67.7-15.9176.5-75.9-16.3000114.3
354S33.4Very low44.4Very low56 Ų5695.8 Ų95.839%0.39246%0.464SS..Hα-helixtrans-91.4-24176.754.40000114.2H351 H352H351-S354 PolarHBondContact O-N 2.93Å; H351-S354 PolarHBondContact O-OG 2.94Å; H352-S354 PolarHBondContact O-N 2.83Å
355I34.8Very low41.8Very low105 Ų105101.1 Ų101.154%0.53849%0.491SS..Hα-helixtrans-93.8-30.1-174-63.4170.5000111.2H351 H352 K357H351-I355 PolarHBondContact O-N 3.28Å; H352-I355 PolarHBondContact O-N 3.42Å; I355-K357 PolarHBondContact O-N 3.43Å
356D34Very low39.4Very low125 Ų125106.4 Ų106.467%0.66852%0.519SS*.THydrogen-bonded Turntrans-81.912.9177.7-61.4-37.8000113.1H352H352-D356 IonicContact ND1-OD2 2.57Å; H352-D356 PolarHBondContact ND1-OD2 3.16Å; H352-D356 PolarHBondContact O-N 3.23Å
357K33Very low37.7Very low169 Ų169111.2 Ų111.274%0.73554%0.54SS*.THydrogen-bonded Turntrans-110.25.7-179.2-86.9-169177.6-176.70115.5I355I355-K357 PolarHBondContact O-N 3.43Å
358Y29.4Very low36.3Very low277 Ų277114.7 Ų114.7100%1.08656%0.555SS**  trans-130.20178.8-72.6-76.3000113

Retrieved 358 of 358 residues in 434.5 ms (Link to these results)

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