A0A087YD92_POEFO Loading...

Kelch-like family member 40a

AlphaFold DB , UniProt , Accession A0A087YD92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 613 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
1M37.4Very low50.1Low247 Ų247133.6 Ų133.6100%1.21774%0.736SS**  087.60-70-172.6-142.500108.5A3M1-A3 PolarHBondContact O-N 2.79Å
2A34.9Very low51.3Low104 Ų104128.4 Ų128.486%0.8671%0.714SS**  trans-74121.717200000107.9L4A2-L4 PolarHBondContact O-N 2.79Å
3A42.3Very low52.5Low92 Ų92132.5 Ų132.576%0.7671%0.711SS**  trans-64.2115.5175.500000108.6M1 T5M1-A3 PolarHBondContact O-N 2.79Å; A3-T5 PolarHBondContact O-N 2.92Å
4L42.6Very low53.3Low159 Ų159132 Ų13283%0.83271%0.705SS**  trans-53.4111165.7-79.9153000107.5A2 I6A2-L4 PolarHBondContact O-N 2.79Å; L4-I6 VanDerWaalsContact C-N 3.34Å; L4-I6 PolarHBondContact O-N 3.11Å
5T48.3Very low54.3Low145 Ų145134.3 Ų134.389%0.8970%0.701SS**  trans-68.994.6170.4330000107.8A3 D7A3-T5 PolarHBondContact O-N 2.92Å; T5-D7 PolarHBondContact O-N 3.06Å
6I51.3Low55.3Low109 Ų109134.4 Ų134.456%0.55970%0.697SS**  trans-75.9119.4179.3-60.3165.8000108.5L4 P8 Q11L4-I6 VanDerWaalsContact C-N 3.34Å; L4-I6 PolarHBondContact O-N 3.11Å; I6-P8 VanDerWaalsContact O-CD 3.32Å; I6-P8 WeakPolarHBondContact O-CD 3.48Å; I6-Q11 HydrophobicContact CG2-CG 4.02Å
7D58.6Low56.3Low74 Ų74133.9 Ų133.940%0.39669%0.691SS.*  trans-68.5113.6173.2-179.9-5.5000110.4T5 M9 R10T5-D7 PolarHBondContact O-N 3.06Å; D7-M9 PolarHBondContact O-N 3.13Å; D7-M9 VanDerWaalsContact O-N 3.09Å; D7-M9 WeakPolarHBondContact OD1-CB 3.47Å; D7-M9 PolarHBondContact OD1-N 3.22Å; D7-R10 HydrophobicContact CB-CB 4.35Å; D7-R10 HydrophobicContact CB-CG 4.11Å; D7-R10 PolarHBondContact O-N 2.85Å; D7-R10 VanDerWaalsContact O-N 3.1Å; D7-R10 IonicContact OD2-NE 3.31Å
8P59.3Low57.4Low103 Ų103130.4 Ų130.467%0.66968%0.677SS**THydrogen-bonded Turntrans-65.9-11-17625.6-32.8000114.1I6 P12I6-P8 VanDerWaalsContact O-CD 3.32Å; I6-P8 WeakPolarHBondContact O-CD 3.48Å; P8-P12 VanDerWaalsContact O-CD 3.28Å; P8-P12 WeakPolarHBondContact O-CD 3.26Å
9M58.7Low58.7Low143 Ų143129.2 Ų129.270%0.70467%0.671SS**THydrogen-bonded Turntrans-88-21.3174.6-72-99.5-124.300113.5D7D7-M9 PolarHBondContact O-N 3.13Å; D7-M9 VanDerWaalsContact O-N 3.09Å; D7-M9 WeakPolarHBondContact OD1-CB 3.47Å; D7-M9 PolarHBondContact OD1-N 3.22Å
10R56.9Low60Low177 Ų177128.6 Ų128.667%0.66867%0.668SS**Hα-helixtrans-81.7-37.4-177.1-75.3-175.7-179.1-158.7-3.2113.1D7 R13 M14D7-R10 HydrophobicContact CB-CB 4.35Å; D7-R10 HydrophobicContact CB-CG 4.11Å; D7-R10 PolarHBondContact O-N 2.85Å; D7-R10 VanDerWaalsContact O-N 3.1Å; D7-R10 IonicContact OD2-NE 3.31Å; R10-R13 PolarHBondContact O-N 2.82Å; R10-M14 WeakPolarHBondContact O-CG 3.32Å; R10-M14 PolarHBondContact O-N 2.97Å
11Q60.9Low61.2Low117 Ų117124.8 Ų124.855%0.54765%0.647SS.*Hα-helixtrans-60.6-46.5-178.9-82.7-178.4-14.300114.1I6 R13 M14 Y15I6-Q11 HydrophobicContact CG2-CG 4.02Å; Q11-R13 VanDerWaalsContact C-N 3.33Å; Q11-R13 PolarHBondContact O-N 2.85Å; Q11-M14 PolarHBondContact O-N 3.38Å; Q11-Y15 WeakPolarHBondContact O-CB 3.49Å; Q11-Y15 PolarHBondContact O-N 2.82Å
12P64.3Low63.4Low71 Ų71117.2 Ų117.246%0.46161%0.611SS.*Hα-helixtrans-66.3-35.6179.9-20.833.2000112.7P8 Q16P8-P12 VanDerWaalsContact O-CD 3.28Å; P8-P12 WeakPolarHBondContact O-CD 3.26Å; P12-Q16 WeakPolarHBondContact O-CB 3.45Å; P12-Q16 WeakPolarHBondContact O-CG 3.35Å; P12-Q16 PolarHBondContact O-N 3.5Å
13R66.4Low65.9Low181 Ų181113.7 Ų113.768%0.68359%0.585SS**Hα-helixtrans-67-45.9176.2-80.9-176.4174171.7-0.4111.9R10 Q11 Q16 Q17R10-R13 PolarHBondContact O-N 2.82Å; Q11-R13 VanDerWaalsContact C-N 3.33Å; Q11-R13 PolarHBondContact O-N 2.85Å; R13-Q16 PolarHBondContact O-N 3.05Å; R13-Q17 WeakPolarHBondContact O-CB 3.24Å; R13-Q17 VanDerWaalsContact O-CG 3.26Å; R13-Q17 WeakPolarHBondContact O-CG 3.49Å; R13-Q17 PolarHBondContact O-N 2.98Å
14M64.3Low68.1Low126 Ų126111.9 Ų111.962%0.62156%0.562SS**Hα-helixtrans-59-49.9175.7-68.3-97.9-74.600110.2R10 Q11 Q16 Q17 T18R10-M14 WeakPolarHBondContact O-CG 3.32Å; R10-M14 PolarHBondContact O-N 2.97Å; Q11-M14 PolarHBondContact O-N 3.38Å; M14-Q16 PolarHBondContact O-N 2.73Å; M14-Q17 WeakPolarHBondContact O-CB 3.49Å; M14-Q17 PolarHBondContact O-N 3.1Å; M14-Q17 VanDerWaalsContact O-N 3.16Å; M14-T18 PolarHBondContact O-N 2.85Å; M14-T18 PolarHBondContact O-OG1 3.14Å
15Y69Low70.2Confident166 Ų166105.5 Ų105.565%0.65153%0.53SS*.Hα-helixtrans-60.1-43.3179.1-176.1-94.3000113.2Q11 Q17 T18 L19Q11-Y15 WeakPolarHBondContact O-CB 3.49Å; Q11-Y15 PolarHBondContact O-N 2.82Å; Y15-Q17 VanDerWaalsContact C-N 3.35Å; Y15-T18 PolarHBondContact O-N 2.93Å; Y15-L19 WeakPolarHBondContact O-CB 3.28Å; Y15-L19 PolarHBondContact O-N 3.11Å
16Q69.4Low72.1Confident137 Ų137103.4 Ų103.464%0.6451%0.514SS*.Hα-helixtrans-66.9-34.9176.2-78.6-173.2-22.700112.9P12 R13 M14 L20P12-Q16 WeakPolarHBondContact O-CB 3.45Å; P12-Q16 WeakPolarHBondContact O-CG 3.35Å; P12-Q16 PolarHBondContact O-N 3.5Å; R13-Q16 PolarHBondContact O-N 3.05Å; M14-Q16 PolarHBondContact O-N 2.73Å; Q16-L20 WeakPolarHBondContact O-CB 3.42Å; Q16-L20 PolarHBondContact O-N 3.26Å; Q16-L20 VanDerWaalsContact O-N 3.11Å
17Q72.8Confident74Confident126 Ų126101.1 Ų101.159%0.58950%0.503SS*.Hα-helixtrans-65.9-45.4175.1-76.9172.9-27.400111.4R13 M14 Y15 L20 Q21R13-Q17 WeakPolarHBondContact O-CB 3.24Å; R13-Q17 VanDerWaalsContact O-CG 3.26Å; R13-Q17 WeakPolarHBondContact O-CG 3.49Å; R13-Q17 PolarHBondContact O-N 2.98Å; M14-Q17 WeakPolarHBondContact O-CB 3.49Å; M14-Q17 PolarHBondContact O-N 3.1Å; M14-Q17 VanDerWaalsContact O-N 3.16Å; Y15-Q17 VanDerWaalsContact C-N 3.35Å; Q17-L20 PolarHBondContact O-N 2.83Å; Q17-Q21 VanDerWaalsContact O-CB 3.26Å; Q17-Q21 WeakPolarHBondContact O-CB 3.39Å; Q17-Q21 PolarHBondContact O-N 3.25Å
18T75.4Confident75.4Confident71 Ų7199 Ų9944%0.43649%0.491SS..Hα-helixtrans-63.7-44177.4-24.60000111.2M14 Y15 L20 Q21 D22M14-T18 PolarHBondContact O-N 2.85Å; M14-T18 PolarHBondContact O-OG1 3.14Å; Y15-T18 PolarHBondContact O-N 2.93Å; T18-L20 PolarHBondContact O-N 2.98Å; T18-Q21 WeakPolarHBondContact O-CB 3.33Å; T18-Q21 PolarHBondContact O-N 3.03Å; T18-D22 WeakPolarHBondContact O-CB 3.37Å; T18-D22 PolarHBondContact O-N 3.46Å
19L82.1Confident76.8Confident107 Ų10799.7 Ų99.756%0.5649%0.489SS*.Hα-helixtrans-61.3-41.4178.7-168.680.9000112.9Y15 Q21 G23Y15-L19 WeakPolarHBondContact O-CB 3.28Å; Y15-L19 PolarHBondContact O-N 3.11Å; L19-Q21 VanDerWaalsContact C-N 3.34Å; L19-G23 PolarHBondContact O-N 3.06Å
20L84.6Confident78.2Confident117 Ų11797.8 Ų97.861%0.61348%0.482SS*.Hα-helixtrans-66.5-41.3176.5178.964.8000111Q16 Q17 T18 G23 L24Q16-L20 WeakPolarHBondContact O-CB 3.42Å; Q16-L20 PolarHBondContact O-N 3.26Å; Q16-L20 VanDerWaalsContact O-N 3.11Å; Q17-L20 PolarHBondContact O-N 2.83Å; T18-L20 PolarHBondContact O-N 2.98Å; L20-G23 PolarHBondContact O-N 2.9Å; L20-L24 HydrophobicContact CD1-CD1 4.45Å; L20-L24 HydrophobicContact CD1-CG 4.48Å; L20-L24 HydrophobicContact CG-CD1 4.22Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 2.85Å
21Q85.4Confident79.6Confident48 Ų4894.7 Ų94.722%0.22448%0.479CS..Hα-helixtrans-64.4-51.3179.9-178.6163.311.600111.9Q17 T18 L19 G23 L24 C25 Y93 T94 S95Q17-Q21 VanDerWaalsContact O-CB 3.26Å; Q17-Q21 WeakPolarHBondContact O-CB 3.39Å; Q17-Q21 PolarHBondContact O-N 3.25Å; T18-Q21 WeakPolarHBondContact O-CB 3.33Å; T18-Q21 PolarHBondContact O-N 3.03Å; L19-Q21 VanDerWaalsContact C-N 3.34Å; Q21-G23 VanDerWaalsContact C-N 3.28Å; Q21-G23 PolarHBondContact O-N 3.44Å; Q21-L24 PolarHBondContact O-N 2.87Å; Q21-L24 VanDerWaalsContact O-N 3.15Å; Q21-C25 PolarHBondContact O-N 2.9Å; Q21-Y93 WeakPolarHBondContact CG-O 3.33Å; Q21-Y93 PolarHBondContact NE2-O 3.43Å; Q21-T94 VanDerWaalsContact NE2-CA 3.26Å; Q21-T94 PolarHBondContact NE2-O 2.99Å; Q21-S95 PolarHBondContact NE2-OG 2.94Å; Q21-S95 PolarHBondContact OE1-OG 3.05Å
22D84.5Confident80.9Confident89 Ų8994.6 Ų94.648%0.47648%0.476SS..Hα-helixtrans-59-42.8176.2-64.7-19.4000110.5T18 L24 C25 D26T18-D22 WeakPolarHBondContact O-CB 3.37Å; T18-D22 PolarHBondContact O-N 3.46Å; D22-L24 PolarHBondContact O-N 3.06Å; D22-C25 WeakPolarHBondContact O-CB 3.45Å; D22-C25 PolarHBondContact O-N 2.82Å; D22-D26 PolarHBondContact O-N 3.29Å
23G87Confident81.9Confident30 Ų3099.3 Ų99.331%0.30949%0.49SS..Hα-helixtrans-62.8-38.7176.100000113.7L19 L20 Q21 L27L19-G23 PolarHBondContact O-N 3.06Å; L20-G23 PolarHBondContact O-N 2.9Å; Q21-G23 VanDerWaalsContact C-N 3.28Å; Q21-G23 PolarHBondContact O-N 3.44Å; G23-L27 WeakPolarHBondContact O-CG 3.45Å; G23-L27 PolarHBondContact O-N 2.95Å; G23-L27 VanDerWaalsContact O-N 3.09Å
24L87.6Confident83Confident54 Ų5491.5 Ų91.528%0.28346%0.462SS..Hα-helixtrans-69.4-35.5175.3-73.9171.1000112.1L20 Q21 D22 L28 V51 Y93L20-L24 HydrophobicContact CD1-CD1 4.45Å; L20-L24 HydrophobicContact CD1-CG 4.48Å; L20-L24 HydrophobicContact CG-CD1 4.22Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 2.85Å; Q21-L24 PolarHBondContact O-N 2.87Å; Q21-L24 VanDerWaalsContact O-N 3.15Å; D22-L24 PolarHBondContact O-N 3.06Å; L24-L28 PolarHBondContact O-N 2.86Å; L24-L28 VanDerWaalsContact O-N 3.16Å; L24-V51 HydrophobicContact CD1-CG2 4.27Å; L24-V51 HydrophobicContact CD2-CG2 4.44Å; L24-Y93 HydrophobicContact CB-CD1 4.19Å; L24-Y93 HydrophobicContact CB-CE1 4.46Å
25C87.8Confident84.1Confident24 Ų2488.8 Ų88.816%0.16245%0.45CS..Hα-helixtrans-65.6-48.7174.2-1610000111Q21 D22 L27 L28 D29Q21-C25 PolarHBondContact O-N 2.9Å; D22-C25 WeakPolarHBondContact O-CB 3.45Å; D22-C25 PolarHBondContact O-N 2.82Å; C25-L27 VanDerWaalsContact C-N 3.28Å; C25-L27 PolarHBondContact O-N 2.87Å; C25-L28 WeakPolarHBondContact O-CB 3.34Å; C25-L28 PolarHBondContact O-N 2.98Å; C25-D29 PolarHBondContact O-N 2.9Å
26D88.6Confident85.1Confident102 Ų10280.9 Ų80.955%0.54542%0.419SS..Hα-helixtrans-57.5-39.8176.5-81.9-5.1000112.2D22 N30D22-D26 PolarHBondContact O-N 3.29Å; D26-N30 PolarHBondContact O-N 3.07Å; D26-N30 PolarHBondContact O-ND2 3.13Å
27L89.5Confident86.2Confident61 Ų6175.5 Ų75.532%0.31940%0.395SS..Hα-helixtrans-66-38.6176.9-72.3173.7000112.1G23 C25 D31 K32 F33G23-L27 WeakPolarHBondContact O-CG 3.45Å; G23-L27 PolarHBondContact O-N 2.95Å; G23-L27 VanDerWaalsContact O-N 3.09Å; C25-L27 VanDerWaalsContact C-N 3.28Å; C25-L27 PolarHBondContact O-N 2.87Å; L27-D31 PolarHBondContact O-N 3.09Å; L27-K32 HydrophobicContact CB-CB 4.44Å; L27-K32 HydrophobicContact CD2-CB 3.76Å; L27-K32 HydrophobicContact CD2-CG 4.39Å; L27-K32 PolarHBondContact O-N 3.32Å; L27-F33 HydrophobicContact CD1-CD2 4.37Å; L27-F33 HydrophobicContact CD2-CD2 4.03Å; L27-F33 HydrophobicContact CD2-CE2 4.19Å
28L89.4Confident87.1Confident30 Ų3069.5 Ų69.516%0.15737%0.367CS..Hα-helixtrans-64.8-48.8175.8-176.968.2000111.3L24 C25 N30 D31 V34 P46 Y93L24-L28 PolarHBondContact O-N 2.86Å; L24-L28 VanDerWaalsContact O-N 3.16Å; C25-L28 WeakPolarHBondContact O-CB 3.34Å; C25-L28 PolarHBondContact O-N 2.98Å; L28-N30 PolarHBondContact O-N 3.05Å; L28-N30 VanDerWaalsContact O-N 3.15Å; L28-D31 PolarHBondContact O-N 2.88Å; L28-V34 HydrophobicContact CD1-CG2 4.47Å; L28-P46 WeakPolarHBondContact CD1-O 3.5Å; L28-Y93 HydrophobicContact CB-CD1 4.4Å; L28-Y93 HydrophobicContact CB-CE1 4.19Å; L28-Y93 HydrophobicContact CD2-CD1 4.12Å; L28-Y93 HydrophobicContact CD2-CD2 3.61Å; L28-Y93 HydrophobicContact CD2-CE1 4.06Å; L28-Y93 HydrophobicContact CD2-CE2 3.58Å; L28-Y93 HydrophobicContact CD2-CG 3.9Å
29D88Confident87.8Confident116 Ų11669.1 Ų69.162%0.6236%0.36SS*.Hα-helixtrans-62.9-23.3-177.7-70.4-18.5000113C25C25-D29 PolarHBondContact O-N 2.9Å
30N89Confident88.3Confident103 Ų10364.1 Ų64.155%0.55133%0.334SS*.THydrogen-bonded Turntrans-101.611.9177.8-70.6-80.1000113.9D26 L28 K32D26-N30 PolarHBondContact O-N 3.07Å; D26-N30 PolarHBondContact O-ND2 3.13Å; L28-N30 PolarHBondContact O-N 3.05Å; L28-N30 VanDerWaalsContact O-N 3.15Å; N30-K32 HydrophobicContact CB-CG 3.91Å; N30-K32 WeakPolarHBondContact O-CD 3.38Å; N30-K32 WeakPolarHBondContact O-CE 3.39Å; N30-K32 WeakPolarHBondContact O-CG 3.45Å; N30-K32 PolarHBondContact O-N 2.98Å
31D86.4Confident88.4Confident113 Ų11364.8 Ų64.860%0.60433%0.334SS*.THydrogen-bonded Turntrans50.937.4-177.2-70.7-47.8000113.4L27 L28L27-D31 PolarHBondContact O-N 3.09Å; L28-D31 PolarHBondContact O-N 2.88Å
32K86.8Confident88.4Confident115 Ų11570.3 Ų70.350%0.537%0.365SS..  trans-96.9133.1-179.3-59-52.4178.2-163.40110.5L27 N30 V34 H48L27-K32 HydrophobicContact CB-CB 4.44Å; L27-K32 HydrophobicContact CD2-CB 3.76Å; L27-K32 HydrophobicContact CD2-CG 4.39Å; L27-K32 PolarHBondContact O-N 3.32Å; N30-K32 HydrophobicContact CB-CG 3.91Å; N30-K32 WeakPolarHBondContact O-CD 3.38Å; N30-K32 WeakPolarHBondContact O-CE 3.39Å; N30-K32 WeakPolarHBondContact O-CG 3.45Å; N30-K32 PolarHBondContact O-N 2.98Å; K32-V34 PolarHBondContact O-N 2.77Å; K32-V34 VanDerWaalsContact O-N 3.17Å; K32-H48 PolarHBondContact O-NE2 3.09Å
33F86.6Confident88.7Confident170 Ų17070.8 Ų70.875%0.74636%0.363SS*.SBendtrans60.316.1179.6-54.2-74.7000115.9L27 D35 H48L27-F33 HydrophobicContact CD1-CD2 4.37Å; L27-F33 HydrophobicContact CD2-CD2 4.03Å; L27-F33 HydrophobicContact CD2-CE2 4.19Å; F33-D35 PolarHBondContact O-N 2.82Å; F33-D35 VanDerWaalsContact O-N 3.14Å; F33-H48 PolarHBondContact O-CD2 3.07Å; F33-H48 VanDerWaalsContact O-CD2 3.32Å
34V88.2Confident89Confident16 Ų1674.5 Ų74.510%0.09737%0.372CS..  trans-65.4109.9174.9177.70000111.2L28 K32 C36 P46 R73L28-V34 HydrophobicContact CD1-CG2 4.47Å; K32-V34 PolarHBondContact O-N 2.77Å; K32-V34 VanDerWaalsContact O-N 3.17Å; V34-C36 WeakPolarHBondContact CG1-O 3.48Å; V34-P46 HydrophobicContact CB-CB 4.49Å; V34-P46 HydrophobicContact CG1-CB 3.57Å; V34-P46 HydrophobicContact CG2-CB 4.17Å; V34-R73 PolarHBondContact O-NH2 2.81Å
35D88.9Confident89.2Confident70 Ų7072.9 Ų72.937%0.37436%0.363SS..  trans-112.33-17665.4-12.7000113.5F33 H48 R49F33-D35 PolarHBondContact O-N 2.82Å; F33-D35 VanDerWaalsContact O-N 3.14Å; D35-H48 VanDerWaalsContact OD1-CA 3.31Å; D35-H48 WeakPolarHBondContact OD1-CA 3.4Å; D35-R49 PolarHBondContact O-NE 2.95Å; D35-R49 WeakPolarHBondContact OD1-CG 3.2Å; D35-R49 PolarHBondContact OD1-N 2.88Å
36C89.9Confident89.4Confident0 Ų074.1 Ų74.10%037%0.37CS..EExtended strand (participates in β ladder)trans-145.4147.3174.4-178.90000111.6V34 C47 R49 R73 I75V34-C36 WeakPolarHBondContact CG1-O 3.48Å; C36-C47 PolarHBondContact N-O 3.38Å; C36-C47 VanDerWaalsContact N-O 3.12Å; C36-C47 PolarHBondContact O-N 2.89Å; C36-C47 PolarHBondContact O-SG 2.86Å; C36-C47 VanDerWaalsContact SG-SG 3.64Å; C36-R49 HydrophobicContact CB-CG 3.58Å; C36-R73 CarbonylContact C-O 3.57Å; C36-R73 WeakPolarHBondContact CA-O 3.3Å; C36-I75 WeakPolarHBondContact SG-CD1 3.26Å
37V91.8Very high89.7Confident23 Ų2369.2 Ų69.214%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-129.5119.7170.9-178.30000108.2E44 F45 R73 E74 I75V37-E44 HydrophobicContact CG1-CB 3.91Å; V37-E44 HydrophobicContact CG1-CG 4.43Å; V37-F45 WeakPolarHBondContact CA-O 3.5Å; V37-R73 PolarHBondContact N-O 2.73Å; V37-E74 HydrophobicContact CB-CG 4.35Å; V37-E74 WeakPolarHBondContact O-CA 3.07Å; V37-I75 PolarHBondContact O-N 2.85Å
38L91.1Very high89.8Confident0 Ų067.1 Ų67.10%033%0.332CS..EExtended strand (participates in β ladder)trans-85.8123.2171.9-58.9-178.8000108.7F45 L52 F59 I75 L77 M85 L89L38-F45 HydrophobicContact CB-CB 4.32Å; L38-F45 PolarHBondContact N-O 3.43Å; L38-F45 PolarHBondContact O-N 2.86Å; L38-L52 HydrophobicContact CD1-CD1 4.15Å; L38-L52 HydrophobicContact CD2-CD1 4.33Å; L38-L52 HydrophobicContact CG-CD1 4.39Å; L38-F59 HydrophobicContact CD1-CZ 4.44Å; L38-F59 HydrophobicContact CD2-CE1 4.26Å; L38-I75 WeakPolarHBondContact CA-O 3.21Å; L38-I75 HydrophobicContact CD2-CB 3.94Å; L38-I75 HydrophobicContact CD2-CD1 4.33Å; L38-I75 HydrophobicContact CD2-CG2 4.32Å; L38-L77 HydrophobicContact CB-CD1 4.48Å; L38-L77 HydrophobicContact CD1-CD1 4.09Å; L38-L77 HydrophobicContact CD2-CD1 4.22Å; L38-L77 HydrophobicContact CG-CD1 4.49Å; L38-M85 HydrophobicContact CD1-CE 3.75Å; L38-L89 HydrophobicContact CD1-CD1 4.37Å; L38-L89 HydrophobicContact CD1-CD2 4.13Å
39K90.9Very high89.9Confident64 Ų6468.2 Ų68.228%0.27834%0.335SS..EExtended strand (participates in β ladder)trans-106.3117.1177.4-173.3168.3-169.8138.20109.5E44 I75 V76 L77K39-E44 HydrophobicContact CD-CG 4.45Å; K39-E44 HydrophobicContact CG-CG 4.24Å; K39-E44 IonicContact NZ-OE1 3.62Å; K39-E44 PolarHBondContact NZ-OE1 3.24Å; K39-I75 PolarHBondContact N-O 3.04Å; K39-V76 HydrophobicContact CB-CG2 4.34Å; K39-V76 WeakPolarHBondContact O-CA 3.32Å; K39-L77 PolarHBondContact O-N 3.04Å
40I91.9Very high90Very high1 Ų169.2 Ų69.21%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-126.4116179.9-61.1162.5000107.4D42 K43 F45 L77 V80 P82 M85I40-D42 PolarHBondContact O-N 3.14Å; I40-K43 PolarHBondContact N-O 2.82Å; I40-K43 PolarHBondContact O-N 2.83Å; I40-F45 HydrophobicContact CB-CE2 4.24Å; I40-F45 HydrophobicContact CD1-CD2 4.11Å; I40-F45 HydrophobicContact CD1-CE2 3.99Å; I40-F45 HydrophobicContact CG1-CE2 4.49Å; I40-L77 HydrophobicContact CD1-CD1 4.36Å; I40-L77 HydrophobicContact CG1-CB 3.9Å; I40-L77 HydrophobicContact CG1-CD1 4.45Å; I40-V80 HydrophobicContact CG2-CB 4.34Å; I40-V80 WeakPolarHBondContact CG2-O 3.16Å; I40-P82 HydrophobicContact CG2-CB 4.37Å; I40-P82 HydrophobicContact CG2-CG 3.94Å; I40-M85 HydrophobicContact CD1-CB 3.33Å; I40-M85 HydrophobicContact CD1-CG 3.36Å; I40-M85 HydrophobicContact CD1-SD 4.42Å
41Q86.9Confident90.1Very high131 Ų13165.1 Ų65.161%0.61232%0.318SS*.THydrogen-bonded Turntrans51.1-120.9-171-56.2176.10.400110.1P82Q41-P82 HydrophobicContact CB-CG 4.33Å; Q41-P82 HydrophobicContact CG-CG 4.31Å
42D85.3Confident90.3Very high165 Ų16559.7 Ų59.788%0.88229%0.289SS*.THydrogen-bonded Turntrans-96.82.9179.9-62-37.1000113.7I40I40-D42 PolarHBondContact O-N 3.14Å
43K91.8Very high90.5Very high99 Ų9955.2 Ų55.243%0.4327%0.273SS..EExtended strand (participates in β ladder)trans-101.9144.8178.8-67.5-162.4-174.4177.30112I40 F45 P82 E86I40-K43 PolarHBondContact N-O 2.82Å; I40-K43 PolarHBondContact O-N 2.83Å; K43-F45 HydrophobicContact CB-CE2 3.75Å; K43-F45 HydrophobicContact CB-CZ 3.93Å; K43-F45 HydrophobicContact CD-CZ 4.01Å; K43-P82 HydrophobicContact CB-CB 4.27Å; K43-P82 HydrophobicContact CD-CB 3.75Å; K43-P82 HydrophobicContact CG-CB 4.21Å; K43-E86 IonicContact NZ-OE2 2.7Å
44E92.3Very high90.8Very high108 Ų10851 Ų5151%0.50527%0.27SS..EExtended strand (participates in β ladder)trans-119.9129.7178.7-67.2-179.4178.400109.9V37 K39V37-E44 HydrophobicContact CG1-CB 3.91Å; V37-E44 HydrophobicContact CG1-CG 4.43Å; K39-E44 HydrophobicContact CD-CG 4.45Å; K39-E44 HydrophobicContact CG-CG 4.24Å; K39-E44 IonicContact NZ-OE1 3.62Å; K39-E44 PolarHBondContact NZ-OE1 3.24Å
45F92.9Very high90.9Very high20 Ų2052 Ų529%0.08828%0.277CS..EExtended strand (participates in β ladder)trans-119.3103.7-176.4-60.6-84000110V37 L38 I40 K43 P82 E86 L89V37-F45 WeakPolarHBondContact CA-O 3.5Å; L38-F45 HydrophobicContact CB-CB 4.32Å; L38-F45 PolarHBondContact N-O 3.43Å; L38-F45 PolarHBondContact O-N 2.86Å; I40-F45 HydrophobicContact CB-CE2 4.24Å; I40-F45 HydrophobicContact CD1-CD2 4.11Å; I40-F45 HydrophobicContact CD1-CE2 3.99Å; I40-F45 HydrophobicContact CG1-CE2 4.49Å; K43-F45 HydrophobicContact CB-CE2 3.75Å; K43-F45 HydrophobicContact CB-CZ 3.93Å; K43-F45 HydrophobicContact CD-CZ 4.01Å; F45-P82 HydrophobicContact CE2-CB 4.25Å; F45-P82 HydrophobicContact CZ-CB 4.07Å; F45-P82 WeakPolarHBondContact CZ-O 3.33Å; F45-E86 HydrophobicContact CE1-CB 3.73Å; F45-E86 HydrophobicContact CE1-CG 4Å; F45-E86 HydrophobicContact CZ-CB 4.25Å; F45-L89 HydrophobicContact CB-CD1 3.54Å; F45-L89 HydrophobicContact CD1-CD1 4.07Å; F45-L89 HydrophobicContact CG-CD1 3.88Å
46P92.3Very high91.2Very high49 Ų4948.7 Ų48.732%0.31826%0.26SS..EExtended strand (participates in β ladder)trans-63.4141.7173.525.9-31.5000110.1L28 V34L28-P46 WeakPolarHBondContact CD1-O 3.5Å; V34-P46 HydrophobicContact CB-CB 4.49Å; V34-P46 HydrophobicContact CG1-CB 3.57Å; V34-P46 HydrophobicContact CG2-CB 4.17Å
47C92.9Very high91.4Very high0 Ų051.7 Ų51.70%028%0.279CS..EExtended strand (participates in β ladder)trans-159.6165179.454.80000112.7C36 L52C36-C47 PolarHBondContact N-O 3.38Å; C36-C47 VanDerWaalsContact N-O 3.12Å; C36-C47 PolarHBondContact O-N 2.89Å; C36-C47 PolarHBondContact O-SG 2.86Å; C36-C47 VanDerWaalsContact SG-SG 3.64Å; C47-L52 HydrophobicContact CB-CD1 4.22Å; C47-L52 VanDerWaalsContact SG-CD1 3.58Å
48H92.8Very high91.4Very high16 Ų1654 Ų547%0.07429%0.287CS..  trans-95.7124.5173.7-55.694.6000110.5K32 F33 D35 L50 V51 L52 Y93K32-H48 PolarHBondContact O-NE2 3.09Å; F33-H48 PolarHBondContact O-CD2 3.07Å; F33-H48 VanDerWaalsContact O-CD2 3.32Å; D35-H48 VanDerWaalsContact OD1-CA 3.31Å; D35-H48 WeakPolarHBondContact OD1-CA 3.4Å; H48-L50 PolarHBondContact O-N 3.13Å; H48-V51 HydrophobicContact CB-CB 4.25Å; H48-V51 HydrophobicContact CB-CG2 3.9Å; H48-V51 PolarHBondContact O-N 3.38Å; H48-V51 VanDerWaalsContact O-N 3.12Å; H48-L52 PolarHBondContact O-N 3.43Å; H48-Y93 PolarHBondContact N-OH 2.62Å; H48-Y93 AromaticContact ND1-CE1 3.52Å; H48-Y93 AromaticContact ND1-CZ 3.65Å; H48-Y93 PolarHBondContact ND1-OH 3.04Å
49R90.6Very high91.5Very high53 Ų5354 Ų5420%0.229%0.287CS..Hα-helixtrans-54.1-38.9175.7-69178.1163.9-130.1-7.2111.8D35 C36 V51 L52 A53 F63 S70 K72D35-R49 PolarHBondContact O-NE 2.95Å; D35-R49 WeakPolarHBondContact OD1-CG 3.2Å; D35-R49 PolarHBondContact OD1-N 2.88Å; C36-R49 HydrophobicContact CB-CG 3.58Å; R49-V51 PolarHBondContact O-N 2.81Å; R49-L52 PolarHBondContact O-N 3.14Å; R49-A53 WeakPolarHBondContact O-CB 3.47Å; R49-A53 PolarHBondContact O-N 3.45Å; R49-F63 HydrophobicContact CB-CD2 4.31Å; R49-F63 HydrophobicContact CB-CE2 4.11Å; R49-F63 HydrophobicContact CB-CZ 4.25Å; R49-F63 HydrophobicContact CG-CD1 4.38Å; R49-F63 HydrophobicContact CG-CE1 3.97Å; R49-F63 HydrophobicContact CG-CE2 4.32Å; R49-F63 HydrophobicContact CG-CZ 3.96Å; R49-S70 VanDerWaalsContact CZ-O 3.3Å; R49-S70 PolarHBondContact NH1-O 3.47Å; R49-S70 PolarHBondContact NH2-O 2.77Å; R49-K72 PolarHBondContact NH2-O 2.93Å
50L90Very high91.5Very high138 Ų13856.2 Ų56.272%0.72330%0.297SS*.Hα-helixtrans-62.6-42.6-179.3-172.469.6000111.9H48 A54H48-L50 PolarHBondContact O-N 3.13Å; L50-A54 VanDerWaalsContact O-CB 3.24Å; L50-A54 WeakPolarHBondContact O-CB 3.18Å; L50-A54 PolarHBondContact O-N 3.29Å
51V91.2Very high91.4Very high16 Ų1659.3 Ų59.310%0.09732%0.323CS..Hα-helixtrans-66.9-47.1179.2176.10000109.9L24 H48 R49 A53 A54 S55 L92 Y93L24-V51 HydrophobicContact CD1-CG2 4.27Å; L24-V51 HydrophobicContact CD2-CG2 4.44Å; H48-V51 HydrophobicContact CB-CB 4.25Å; H48-V51 HydrophobicContact CB-CG2 3.9Å; H48-V51 PolarHBondContact O-N 3.38Å; H48-V51 VanDerWaalsContact O-N 3.12Å; R49-V51 PolarHBondContact O-N 2.81Å; V51-A53 PolarHBondContact O-N 3.05Å; V51-A54 PolarHBondContact O-N 2.95Å; V51-S55 WeakPolarHBondContact O-CB 3.41Å; V51-S55 PolarHBondContact O-N 3.42Å; V51-S55 VanDerWaalsContact O-N 3.09Å; V51-S55 PolarHBondContact O-OG 2.74Å; V51-L92 HydrophobicContact CG1-CB 4.27Å; V51-Y93 HydrophobicContact CB-CE1 4.34Å; V51-Y93 HydrophobicContact CG1-CE1 4.13Å; V51-Y93 HydrophobicContact CG1-CE2 4.19Å; V51-Y93 HydrophobicContact CG2-CE1 3.9Å
52L91.6Very high91.5Very high0 Ų054.8 Ų54.80%030%0.302CS..Hα-helixtrans-60.2-45.3176.2-70.6178.9000112.2L38 C47 H48 R49 A54 S55 S56 F59 F63 L89 L92L38-L52 HydrophobicContact CD1-CD1 4.15Å; L38-L52 HydrophobicContact CD2-CD1 4.33Å; L38-L52 HydrophobicContact CG-CD1 4.39Å; C47-L52 HydrophobicContact CB-CD1 4.22Å; C47-L52 VanDerWaalsContact SG-CD1 3.58Å; H48-L52 PolarHBondContact O-N 3.43Å; R49-L52 PolarHBondContact O-N 3.14Å; L52-A54 PolarHBondContact O-N 2.86Å; L52-S55 PolarHBondContact O-N 2.72Å; L52-S56 WeakPolarHBondContact O-CB 3.46Å; L52-S56 PolarHBondContact O-N 2.97Å; L52-F59 HydrophobicContact CB-CB 4.01Å; L52-F59 HydrophobicContact CB-CD2 4.3Å; L52-F59 HydrophobicContact CB-CG 4.08Å; L52-F59 HydrophobicContact CD1-CD1 4.44Å; L52-F59 HydrophobicContact CD2-CD2 4.23Å; L52-F59 HydrophobicContact CD2-CE2 4.3Å; L52-F63 HydrophobicContact CB-CE2 3.89Å; L52-F63 HydrophobicContact CD1-CE2 4.38Å; L52-F63 HydrophobicContact CD1-CZ 4.2Å; L52-L89 HydrophobicContact CD2-CD2 3.85Å; L52-L92 HydrophobicContact CD2-CD1 3.72Å
53A91.5Very high91.6Very high20 Ų2048.2 Ų48.217%0.16527%0.266CS..Hα-helixtrans-67.3-32.8178.700000113.4R49 V51 K60 F63R49-A53 WeakPolarHBondContact O-CB 3.47Å; R49-A53 PolarHBondContact O-N 3.45Å; V51-A53 PolarHBondContact O-N 3.05Å; A53-K60 HydrophobicContact CB-CB 4.21Å; A53-K60 HydrophobicContact CB-CG 4.4Å; A53-K60 WeakPolarHBondContact O-CB 3.49Å; A53-F63 HydrophobicContact CB-CD2 4.06Å
54A91.3Very high91.4Very high82 Ų8250 Ų5068%0.67828%0.279SS*.Hα-helixtrans-71.3-36.7177.800000111.4L50 V51 L52L50-A54 VanDerWaalsContact O-CB 3.24Å; L50-A54 WeakPolarHBondContact O-CB 3.18Å; L50-A54 PolarHBondContact O-N 3.29Å; V51-A54 PolarHBondContact O-N 2.95Å; L52-A54 PolarHBondContact O-N 2.86Å
55S91.6Very high90.9Very high36 Ų3646.4 Ų46.425%0.25227%0.266SS..Hα-helixtrans-95-14.5-172.2-570000114.5V51 L52V51-S55 WeakPolarHBondContact O-CB 3.41Å; V51-S55 PolarHBondContact O-N 3.42Å; V51-S55 VanDerWaalsContact O-N 3.09Å; V51-S55 PolarHBondContact O-OG 2.74Å; L52-S55 PolarHBondContact O-N 2.72Å
56S94.8Very high89.9Confident1 Ų154.4 Ų54.41%0.00730%0.304CS..  trans-139.1119.9-177.61630000112L52 F58 F59 K60 Y114 Q115L52-S56 WeakPolarHBondContact O-CB 3.46Å; L52-S56 PolarHBondContact O-N 2.97Å; S56-F58 PolarHBondContact O-N 3.07Å; S56-F58 PolarHBondContact OG-N 2.59Å; S56-F59 PolarHBondContact O-N 2.79Å; S56-F59 VanDerWaalsContact OG-CD2 3.3Å; S56-F59 WeakPolarHBondContact OG-CD2 3.4Å; S56-F59 PolarHBondContact OG-N 2.91Å; S56-F59 VanDerWaalsContact OG-N 3.1Å; S56-K60 WeakPolarHBondContact O-CB 3.39Å; S56-K60 PolarHBondContact O-N 3.17Å; S56-Y114 PolarHBondContact OG-O 3.46Å; S56-Q115 WeakPolarHBondContact CA-O 3.47Å
57P94.2Very high89Confident63 Ų6357.3 Ų57.341%0.40932%0.316SS..Hα-helixtrans-61.2-30.9171.8-24.637.6000113.2K60 A61 Q115P57-K60 PolarHBondContact O-N 2.95Å; P57-A61 VanDerWaalsContact O-CB 3.3Å; P57-A61 WeakPolarHBondContact O-CB 3.35Å; P57-A61 PolarHBondContact O-N 3.11Å; P57-Q115 WeakPolarHBondContact CD-O 3.48Å
58F92.4Very high87.5Confident71 Ų7164.4 Ų64.431%0.31135%0.349SS..Hα-helixtrans-60.8-55.2174.1172.4-90000111.1S56 K60 A61 M62 Y114 Q115S56-F58 PolarHBondContact O-N 3.07Å; S56-F58 PolarHBondContact OG-N 2.59Å; F58-K60 VanDerWaalsContact C-N 3.29Å; F58-K60 PolarHBondContact O-N 3.12Å; F58-A61 PolarHBondContact O-N 2.81Å; F58-M62 HydrophobicContact CE1-SD 4.32Å; F58-M62 WeakPolarHBondContact O-CB 3.27Å; F58-M62 PolarHBondContact O-N 2.87Å; F58-Y114 WeakPolarHBondContact CB-O 3.23Å; F58-Y114 AromaticContact CD1-CD1 3.63Å; F58-Y114 HydrophobicContact CD1-CD1 3.63Å; F58-Y114 HydrophobicContact CD1-CE1 4.41Å; F58-Y114 AromaticContact CE1-CD1 3.56Å; F58-Y114 HydrophobicContact CE1-CD1 3.56Å; F58-Y114 AromaticContact CE1-CE1 3.89Å; F58-Y114 HydrophobicContact CE1-CE1 3.89Å; F58-Y114 HydrophobicContact CG-CD1 4.27Å; F58-Y114 HydrophobicContact CZ-CD1 4.15Å; F58-Y114 HydrophobicContact CZ-CE1 4.23Å; F58-Q115 HydrophobicContact CB-CB 4.24Å; F58-Q115 HydrophobicContact CB-CG 4.34Å
59F91.6Very high86.3Confident0 Ų068.6 Ų68.60%037%0.369CS..Hα-helixtrans-63.7-38.3179.5-74.8-65.1000110.9L38 L52 S56 M62 F63 L77 Y114L38-F59 HydrophobicContact CD1-CZ 4.44Å; L38-F59 HydrophobicContact CD2-CE1 4.26Å; L52-F59 HydrophobicContact CB-CB 4.01Å; L52-F59 HydrophobicContact CB-CD2 4.3Å; L52-F59 HydrophobicContact CB-CG 4.08Å; L52-F59 HydrophobicContact CD1-CD1 4.44Å; L52-F59 HydrophobicContact CD2-CD2 4.23Å; L52-F59 HydrophobicContact CD2-CE2 4.3Å; S56-F59 PolarHBondContact O-N 2.79Å; S56-F59 VanDerWaalsContact OG-CD2 3.3Å; S56-F59 WeakPolarHBondContact OG-CD2 3.4Å; S56-F59 PolarHBondContact OG-N 2.91Å; S56-F59 VanDerWaalsContact OG-N 3.1Å; F59-M62 HydrophobicContact CD1-CE 3.55Å; F59-M62 HydrophobicContact CE1-CE 4.09Å; F59-M62 PolarHBondContact O-N 3.31Å; F59-F63 HydrophobicContact CB-CD2 4.27Å; F59-F63 HydrophobicContact CB-CE2 3.87Å; F59-F63 HydrophobicContact CD1-CE2 4.37Å; F59-F63 HydrophobicContact CD1-CZ 4.35Å; F59-F63 WeakPolarHBondContact O-CB 3.4Å; F59-F63 WeakPolarHBondContact O-CD2 3.44Å; F59-F63 VanDerWaalsContact O-CG 3.27Å; F59-F63 WeakPolarHBondContact O-CG 3.04Å; F59-F63 PolarHBondContact O-N 2.82Å; F59-L77 HydrophobicContact CZ-CD1 4.21Å; F59-Y114 HydrophobicContact CE2-CD1 4.27Å; F59-Y114 HydrophobicContact CE2-CG 4.12Å; F59-Y114 AromaticContact CZ-CD1 3.99Å; F59-Y114 HydrophobicContact CZ-CD1 3.99Å; F59-Y114 HydrophobicContact CZ-CE1 4.47Å; F59-Y114 HydrophobicContact CZ-CG 4.18Å
60K91.4Very high85.2Confident112 Ų11266.4 Ų66.449%0.48736%0.362SS..Hα-helixtrans-58.1-50174-169.6175.1179.2177.10112.4A53 S56 P57 F58 M62 F63 L64A53-K60 HydrophobicContact CB-CB 4.21Å; A53-K60 HydrophobicContact CB-CG 4.4Å; A53-K60 WeakPolarHBondContact O-CB 3.49Å; S56-K60 WeakPolarHBondContact O-CB 3.39Å; S56-K60 PolarHBondContact O-N 3.17Å; P57-K60 PolarHBondContact O-N 2.95Å; F58-K60 VanDerWaalsContact C-N 3.29Å; F58-K60 PolarHBondContact O-N 3.12Å; K60-M62 VanDerWaalsContact C-N 3.34Å; K60-F63 PolarHBondContact O-N 2.81Å; K60-L64 HydrophobicContact CG-CD1 3.88Å; K60-L64 WeakPolarHBondContact O-CB 3.32Å; K60-L64 VanDerWaalsContact O-CG 3.25Å; K60-L64 WeakPolarHBondContact O-CG 3.4Å; K60-L64 PolarHBondContact O-N 2.86Å
61A90.1Very high84.2Confident66 Ų6667.5 Ų67.555%0.54536%0.361SS..Hα-helixtrans-63.3-42.5178.600000111.2P57 F58 L64 S65P57-A61 VanDerWaalsContact O-CB 3.3Å; P57-A61 WeakPolarHBondContact O-CB 3.35Å; P57-A61 PolarHBondContact O-N 3.11Å; F58-A61 PolarHBondContact O-N 2.81Å; A61-L64 PolarHBondContact O-N 2.83Å; A61-S65 WeakPolarHBondContact O-CB 3.11Å; A61-S65 PolarHBondContact O-N 2.92Å
62M88.3Confident83.7Confident35 Ų3571.7 Ų71.717%0.17238%0.378CS..Hα-helixtrans-61-47.1177.2-175.8-175.467.900111.8F58 F59 K60 L64 S65 S70 I75F58-M62 HydrophobicContact CE1-SD 4.32Å; F58-M62 WeakPolarHBondContact O-CB 3.27Å; F58-M62 PolarHBondContact O-N 2.87Å; F59-M62 HydrophobicContact CD1-CE 3.55Å; F59-M62 HydrophobicContact CE1-CE 4.09Å; F59-M62 PolarHBondContact O-N 3.31Å; K60-M62 VanDerWaalsContact C-N 3.34Å; M62-L64 PolarHBondContact O-N 2.8Å; M62-S65 WeakPolarHBondContact O-CB 3.41Å; M62-S65 PolarHBondContact O-N 2.88Å; M62-S65 PolarHBondContact O-OG 3.5Å; M62-S70 WeakPolarHBondContact O-CB 3.49Å; M62-I75 HydrophobicContact CE-CD1 3.57Å; M62-I75 HydrophobicContact CE-CG2 4.27Å; M62-I75 HydrophobicContact SD-CG2 4.27Å
63F88.6Confident83.3Confident28 Ų2879.2 Ų79.212%0.12341%0.406CS..Hα-helixtrans-71.2-28.1-179.6-65.4-44.8000114.3R49 L52 A53 F59 K60 I75R49-F63 HydrophobicContact CB-CD2 4.31Å; R49-F63 HydrophobicContact CB-CE2 4.11Å; R49-F63 HydrophobicContact CB-CZ 4.25Å; R49-F63 HydrophobicContact CG-CD1 4.38Å; R49-F63 HydrophobicContact CG-CE1 3.97Å; R49-F63 HydrophobicContact CG-CE2 4.32Å; R49-F63 HydrophobicContact CG-CZ 3.96Å; L52-F63 HydrophobicContact CB-CE2 3.89Å; L52-F63 HydrophobicContact CD1-CE2 4.38Å; L52-F63 HydrophobicContact CD1-CZ 4.2Å; A53-F63 HydrophobicContact CB-CD2 4.06Å; F59-F63 HydrophobicContact CB-CD2 4.27Å; F59-F63 HydrophobicContact CB-CE2 3.87Å; F59-F63 HydrophobicContact CD1-CE2 4.37Å; F59-F63 HydrophobicContact CD1-CZ 4.35Å; F59-F63 WeakPolarHBondContact O-CB 3.4Å; F59-F63 WeakPolarHBondContact O-CD2 3.44Å; F59-F63 VanDerWaalsContact O-CG 3.27Å; F59-F63 WeakPolarHBondContact O-CG 3.04Å; F59-F63 PolarHBondContact O-N 2.82Å; K60-F63 PolarHBondContact O-N 2.81Å; F63-I75 HydrophobicContact CE1-CD1 3.49Å; F63-I75 VanDerWaalsContact CE1-CD1 3.49Å; F63-I75 HydrophobicContact CZ-CD1 3.98Å
64L86.3Confident83.2Confident135 Ų13583.5 Ų83.571%0.70742%0.422SS*.Hα-helixtrans-87.8-5.8176.2-64.3176.5000112.9K60 A61 M62K60-L64 HydrophobicContact CG-CD1 3.88Å; K60-L64 WeakPolarHBondContact O-CB 3.32Å; K60-L64 VanDerWaalsContact O-CG 3.25Å; K60-L64 WeakPolarHBondContact O-CG 3.4Å; K60-L64 PolarHBondContact O-N 2.86Å; A61-L64 PolarHBondContact O-N 2.83Å; M62-L64 PolarHBondContact O-N 2.8Å
65S83.5Confident83Confident33 Ų3380.4 Ų80.423%0.23139%0.394CS..SBendtrans-74.4152.1176.976.50000112.2A61 M62 L67 S70A61-S65 WeakPolarHBondContact O-CB 3.11Å; A61-S65 PolarHBondContact O-N 2.92Å; M62-S65 WeakPolarHBondContact O-CB 3.41Å; M62-S65 PolarHBondContact O-N 2.88Å; M62-S65 PolarHBondContact O-OG 3.5Å; S65-L67 PolarHBondContact O-N 3.22Å; S65-S70 WeakPolarHBondContact O-CB 3.42Å; S65-S70 PolarHBondContact O-OG 2.98Å
66E71.1Confident82.8Confident189 Ų18983.1 Ų83.188%0.88341%0.409SS*.  trans-82.66.6177.3-62.4-168.8167.900114.1
67L73Confident82.4Confident109 Ų10983.7 Ų83.757%0.57141%0.412SS*.SBendtrans-69.3157.4-177.5-63.3172.6000112.4S65 E69 S70S65-L67 PolarHBondContact O-N 3.22Å; L67-E69 PolarHBondContact O-N 3.07Å; L67-S70 PolarHBondContact O-N 2.73Å; L67-S70 PolarHBondContact O-OG 3.25Å
68E62.4Low81.9Confident150 Ų15088.1 Ų88.170%0.70143%0.425SS*.G310 helixtrans-66-30.2-179.6-71.7-162.9164.400112.5S70 K71E68-S70 VanDerWaalsContact C-N 3.28Å; E68-S70 PolarHBondContact O-N 3.28Å; E68-K71 PolarHBondContact O-N 2.88Å
69E65.8Low81.4Confident103 Ų10392 Ų9248%0.48145%0.449SS..G310 helixtrans-63.1-31.6176.9-67.674.9-165.200112.4L67 K71 K72L67-E69 PolarHBondContact O-N 3.07Å; E69-K71 PolarHBondContact O-N 2.92Å; E69-K72 PolarHBondContact O-N 3.07Å
70S68.8Low81.2Confident7 Ų792.4 Ų92.45%0.04945%0.451CS..G310 helixtrans-68.7-21.3179.577.90000112.6R49 M62 S65 L67 E68R49-S70 VanDerWaalsContact CZ-O 3.3Å; R49-S70 PolarHBondContact NH1-O 3.47Å; R49-S70 PolarHBondContact NH2-O 2.77Å; M62-S70 WeakPolarHBondContact O-CB 3.49Å; S65-S70 WeakPolarHBondContact O-CB 3.42Å; S65-S70 PolarHBondContact O-OG 2.98Å; L67-S70 PolarHBondContact O-N 2.73Å; L67-S70 PolarHBondContact O-OG 3.25Å; E68-S70 VanDerWaalsContact C-N 3.28Å; E68-S70 PolarHBondContact O-N 3.28Å
71K69.6Low81.2Confident162 Ų16290.8 Ų90.870%0.70445%0.448SS*.G310 helixtrans-94.6-10.1-178.3-61.2177.6-173.3167.50113.5E68 E69E68-K71 PolarHBondContact O-N 2.88Å; E69-K71 PolarHBondContact O-N 2.92Å
72K80.7Confident81.3Confident104 Ų10488.1 Ų88.145%0.45243%0.425SS..  trans-78.2139.5178.9-68.7176.7-175167.60110.7R49 E69 E74R49-K72 PolarHBondContact NH2-O 2.93Å; E69-K72 PolarHBondContact O-N 3.07Å; K72-E74 VanDerWaalsContact C-N 3.31Å
73R82.8Confident81.5Confident157 Ų15789.3 Ų89.359%0.59244%0.437SS*.SBendtrans-71-31.8173.9-169.8176.9-174.4-166.90.8111.7V34 C36 V37V34-R73 PolarHBondContact O-NH2 2.81Å; C36-R73 CarbonylContact C-O 3.57Å; C36-R73 WeakPolarHBondContact CA-O 3.3Å; V37-R73 PolarHBondContact N-O 2.73Å
74E88Confident81.7Confident110 Ų11088.3 Ų88.351%0.51443%0.433SS..EExtended strand (participates in β ladder)trans-103.9129.9179.8-69.6170-154.300110.5V37 K72V37-E74 HydrophobicContact CB-CG 4.35Å; V37-E74 WeakPolarHBondContact O-CA 3.07Å; K72-E74 VanDerWaalsContact C-N 3.31Å
75I87.9Confident82Confident17 Ų1781.9 Ų81.99%0.08740%0.399CS..EExtended strand (participates in β ladder)trans-123116.7-178.2-54.2177.1000107.9C36 V37 L38 K39 M62 F63 L77C36-I75 WeakPolarHBondContact SG-CD1 3.26Å; V37-I75 PolarHBondContact O-N 2.85Å; L38-I75 WeakPolarHBondContact CA-O 3.21Å; L38-I75 HydrophobicContact CD2-CB 3.94Å; L38-I75 HydrophobicContact CD2-CD1 4.33Å; L38-I75 HydrophobicContact CD2-CG2 4.32Å; K39-I75 PolarHBondContact N-O 3.04Å; M62-I75 HydrophobicContact CE-CD1 3.57Å; M62-I75 HydrophobicContact CE-CG2 4.27Å; M62-I75 HydrophobicContact SD-CG2 4.27Å; F63-I75 HydrophobicContact CE1-CD1 3.49Å; F63-I75 VanDerWaalsContact CE1-CD1 3.49Å; F63-I75 HydrophobicContact CZ-CD1 3.98Å; I75-L77 HydrophobicContact CG2-CD2 4.11Å
76V87.5Confident82.4Confident93 Ų9385.1 Ų85.156%0.56441%0.411SS*.EExtended strand (participates in β ladder)trans-89.4115.3-179.3-173.80000109.1K39K39-V76 HydrophobicContact CB-CG2 4.34Å; K39-V76 WeakPolarHBondContact O-CA 3.32Å
77L87.3Confident83.4Confident14 Ų1478.7 Ų78.77%0.07338%0.381CS..EExtended strand (participates in β ladder)trans-98.5126.4173.1-60-178.4000108.4L38 K39 I40 F59 I75 Y114L38-L77 HydrophobicContact CB-CD1 4.48Å; L38-L77 HydrophobicContact CD1-CD1 4.09Å; L38-L77 HydrophobicContact CD2-CD1 4.22Å; L38-L77 HydrophobicContact CG-CD1 4.49Å; K39-L77 PolarHBondContact O-N 3.04Å; I40-L77 HydrophobicContact CD1-CD1 4.36Å; I40-L77 HydrophobicContact CG1-CB 3.9Å; I40-L77 HydrophobicContact CG1-CD1 4.45Å; F59-L77 HydrophobicContact CZ-CD1 4.21Å; I75-L77 HydrophobicContact CG2-CD2 4.11Å; L77-Y114 HydrophobicContact CD1-CE1 4.34Å; L77-Y114 HydrophobicContact CD1-CE2 4.32Å; L77-Y114 HydrophobicContact CD2-CE1 3.91Å
78K81.8Confident84.4Confident155 Ų15573.5 Ų73.567%0.67435%0.354SS*.  trans-102.3154.7178.9-62-179.1-177.91780109.2V80K78-V80 PolarHBondContact O-N 3.39Å
79D82.8Confident85.8Confident154 Ų15466.9 Ų66.982%0.82432%0.324SS*.SBendtrans65.731.3172.3-46.3-46000115.2
80V88.1Confident87.1Confident7 Ų769.9 Ų69.94%0.04233%0.331CS..  trans-127.9139.2175.6-176.60000109.6I40 K78 M85 V110 M113 Y114I40-V80 HydrophobicContact CG2-CB 4.34Å; I40-V80 WeakPolarHBondContact CG2-O 3.16Å; K78-V80 PolarHBondContact O-N 3.39Å; V80-M85 HydrophobicContact CG1-CB 4.11Å; V80-V110 HydrophobicContact CG1-CG1 4.14Å; V80-V110 HydrophobicContact CG1-CG2 3.91Å; V80-M113 HydrophobicContact CG2-SD 4.48Å; V80-Y114 HydrophobicContact CG2-CE2 3.66Å; V80-Y114 VanDerWaalsContact CG2-OH 3.22Å; V80-Y114 WeakPolarHBondContact CG2-OH 3.2Å
81D90.7Very high88.2Confident79 Ų7971 Ų7142%0.42233%0.334SS..  trans-74129.5171.6-171.6-78.7000110.6S83 V84 M85D81-S83 VanDerWaalsContact C-N 3.25Å; D81-S83 PolarHBondContact O-N 3.15Å; D81-S83 WeakPolarHBondContact OD1-CA 3.3Å; D81-S83 VanDerWaalsContact OD1-CB 3.25Å; D81-S83 WeakPolarHBondContact OD1-CB 3.36Å; D81-S83 PolarHBondContact OD1-N 2.92Å; D81-S83 PolarHBondContact OD1-OG 3.45Å; D81-V84 HydrophobicContact CB-CB 4.31Å; D81-V84 HydrophobicContact CB-CG2 3.97Å; D81-V84 PolarHBondContact O-N 2.83Å; D81-M85 PolarHBondContact O-N 2.86Å
82P92Very high89.2Confident9 Ų964.2 Ų64.26%0.05831%0.305CS..Hα-helixtrans-57.9-34-179.4-21.829.6000114.1I40 Q41 K43 F45 E86I40-P82 HydrophobicContact CG2-CB 4.37Å; I40-P82 HydrophobicContact CG2-CG 3.94Å; Q41-P82 HydrophobicContact CB-CG 4.33Å; Q41-P82 HydrophobicContact CG-CG 4.31Å; K43-P82 HydrophobicContact CB-CB 4.27Å; K43-P82 HydrophobicContact CD-CB 3.75Å; K43-P82 HydrophobicContact CG-CB 4.21Å; F45-P82 HydrophobicContact CE2-CB 4.25Å; F45-P82 HydrophobicContact CZ-CB 4.07Å; F45-P82 WeakPolarHBondContact CZ-O 3.33Å; P82-E86 WeakPolarHBondContact O-CB 3.38Å; P82-E86 PolarHBondContact O-N 2.77Å
83S91.9Very high89.7Confident60 Ų6059.5 Ų59.542%0.4229%0.285SS..Hα-helixtrans-69.9-37.3-179.970.90000112.2D81 E86 M87D81-S83 VanDerWaalsContact C-N 3.25Å; D81-S83 PolarHBondContact O-N 3.15Å; D81-S83 WeakPolarHBondContact OD1-CA 3.3Å; D81-S83 VanDerWaalsContact OD1-CB 3.25Å; D81-S83 WeakPolarHBondContact OD1-CB 3.36Å; D81-S83 PolarHBondContact OD1-N 2.92Å; D81-S83 PolarHBondContact OD1-OG 3.45Å; S83-E86 WeakPolarHBondContact O-CB 3.5Å; S83-E86 PolarHBondContact O-N 2.95Å; S83-M87 WeakPolarHBondContact O-CG 3.31Å; S83-M87 PolarHBondContact O-N 3.49Å; S83-M87 VanDerWaalsContact O-N 3.12Å
84V93.4Very high90Very high7 Ų754.4 Ų54.44%0.04227%0.271CS..Hα-helixtrans-67.2-44.4177.3175.80000110.3D81 E86 M87 I88 D106 I107 V110D81-V84 HydrophobicContact CB-CB 4.31Å; D81-V84 HydrophobicContact CB-CG2 3.97Å; D81-V84 PolarHBondContact O-N 2.83Å; V84-E86 VanDerWaalsContact C-N 3.32Å; V84-E86 PolarHBondContact O-N 2.78Å; V84-M87 PolarHBondContact O-N 3.03Å; V84-I88 HydrophobicContact CG1-CD1 4.14Å; V84-I88 WeakPolarHBondContact O-CG1 3.35Å; V84-I88 PolarHBondContact O-N 2.79Å; V84-D106 HydrophobicContact CG1-CB 4.45Å; V84-D106 HydrophobicContact CG2-CB 3.82Å; V84-I107 HydrophobicContact CG1-CB 4.44Å; V84-I107 HydrophobicContact CG1-CG1 3.9Å; V84-V110 HydrophobicContact CG1-CB 4.15Å; V84-V110 HydrophobicContact CG1-CG2 3.81Å
85M92.8Very high90Very high0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-65.4-37.5176.5-16773.6-159.200111.9L38 I40 V80 D81 M87 I88 L89 V110L38-M85 HydrophobicContact CD1-CE 3.75Å; I40-M85 HydrophobicContact CD1-CB 3.33Å; I40-M85 HydrophobicContact CD1-CG 3.36Å; I40-M85 HydrophobicContact CD1-SD 4.42Å; V80-M85 HydrophobicContact CG1-CB 4.11Å; D81-M85 PolarHBondContact O-N 2.86Å; M85-M87 VanDerWaalsContact C-N 3.31Å; M85-M87 PolarHBondContact O-N 2.75Å; M85-I88 HydrophobicContact CE-CG2 4.11Å; M85-I88 PolarHBondContact O-N 3.44Å; M85-I88 HydrophobicContact SD-CG2 4.44Å; M85-L89 HydrophobicContact CE-CD1 4.45Å; M85-L89 HydrophobicContact CE-CD2 3.78Å; M85-L89 HydrophobicContact CE-CG 3.82Å; M85-L89 HydrophobicContact CG-CD1 4.18Å; M85-L89 HydrophobicContact CG-CG 4.21Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 WeakPolarHBondContact O-CG 3.39Å; M85-L89 PolarHBondContact O-N 2.74Å; M85-V110 HydrophobicContact SD-CG1 4.33Å
86E92.4Very high90Very high101 Ų10156.8 Ų56.847%0.47229%0.293SS..Hα-helixtrans-57.7-44.9175.3-172.3175.2172.200111.3K43 F45 P82 S83 V84 L89 R90K43-E86 IonicContact NZ-OE2 2.7Å; F45-E86 HydrophobicContact CE1-CB 3.73Å; F45-E86 HydrophobicContact CE1-CG 4Å; F45-E86 HydrophobicContact CZ-CB 4.25Å; P82-E86 WeakPolarHBondContact O-CB 3.38Å; P82-E86 PolarHBondContact O-N 2.77Å; S83-E86 WeakPolarHBondContact O-CB 3.5Å; S83-E86 PolarHBondContact O-N 2.95Å; V84-E86 VanDerWaalsContact C-N 3.32Å; V84-E86 PolarHBondContact O-N 2.78Å; E86-L89 PolarHBondContact O-N 2.95Å; E86-R90 WeakPolarHBondContact O-CB 3.36Å; E86-R90 PolarHBondContact O-N 3.01Å
87M92.6Very high90.3Very high54 Ų5453.6 Ų53.627%0.26627%0.273SS..Hα-helixtrans-62.3-43.5175.2-68.9-176.764.200112.5S83 V84 M85 R90 Y91 I97 N98 N103 I107S83-M87 WeakPolarHBondContact O-CG 3.31Å; S83-M87 PolarHBondContact O-N 3.49Å; S83-M87 VanDerWaalsContact O-N 3.12Å; V84-M87 PolarHBondContact O-N 3.03Å; M85-M87 VanDerWaalsContact C-N 3.31Å; M85-M87 PolarHBondContact O-N 2.75Å; M87-R90 PolarHBondContact O-N 2.91Å; M87-Y91 PolarHBondContact O-N 2.88Å; M87-I97 HydrophobicContact CE-CG1 4.32Å; M87-N98 VanDerWaalsContact CE-O 3.3Å; M87-N98 WeakPolarHBondContact CE-O 3.3Å; M87-N103 WeakPolarHBondContact CE-ND2 3.49Å; M87-I107 HydrophobicContact CE-CD1 3.75Å; M87-I107 HydrophobicContact SD-CD1 4.18Å
88I93.6Very high90.5Very high0 Ų058.5 Ų58.50%030%0.299CS..Hα-helixtrans-63.1-47.5177.9-73.4172.5000110.8V84 M85 Y91 L92 I107 V110 I116 I119V84-I88 HydrophobicContact CG1-CD1 4.14Å; V84-I88 WeakPolarHBondContact O-CG1 3.35Å; V84-I88 PolarHBondContact O-N 2.79Å; M85-I88 HydrophobicContact CE-CG2 4.11Å; M85-I88 PolarHBondContact O-N 3.44Å; M85-I88 HydrophobicContact SD-CG2 4.44Å; I88-Y91 WeakPolarHBondContact O-CB 3.46Å; I88-Y91 PolarHBondContact O-N 2.83Å; I88-L92 WeakPolarHBondContact O-CG 3.27Å; I88-L92 PolarHBondContact O-N 3.46Å; I88-I107 HydrophobicContact CG1-CG2 4.33Å; I88-V110 HydrophobicContact CD1-CB 3.66Å; I88-V110 HydrophobicContact CD1-CG1 3.3Å; I88-I116 HydrophobicContact CG2-CD1 3.4Å; I88-I119 HydrophobicContact CB-CD1 4.03Å; I88-I119 HydrophobicContact CG1-CD1 3.82Å; I88-I119 HydrophobicContact CG2-CD1 3.72Å
89L92.1Very high91.1Very high12 Ų1252.1 Ų52.16%0.06327%0.272CS..Hα-helixtrans-60.7-48177.5-73.5174.9000110.5L38 F45 L52 M85 E86 Y91 L92 Y93L38-L89 HydrophobicContact CD1-CD1 4.37Å; L38-L89 HydrophobicContact CD1-CD2 4.13Å; F45-L89 HydrophobicContact CB-CD1 3.54Å; F45-L89 HydrophobicContact CD1-CD1 4.07Å; F45-L89 HydrophobicContact CG-CD1 3.88Å; L52-L89 HydrophobicContact CD2-CD2 3.85Å; M85-L89 HydrophobicContact CE-CD1 4.45Å; M85-L89 HydrophobicContact CE-CD2 3.78Å; M85-L89 HydrophobicContact CE-CG 3.82Å; M85-L89 HydrophobicContact CG-CD1 4.18Å; M85-L89 HydrophobicContact CG-CG 4.21Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 WeakPolarHBondContact O-CG 3.39Å; M85-L89 PolarHBondContact O-N 2.74Å; E86-L89 PolarHBondContact O-N 2.95Å; L89-Y91 VanDerWaalsContact C-N 3.25Å; L89-Y91 PolarHBondContact O-N 2.9Å; L89-L92 HydrophobicContact CD2-CD1 4.47Å; L89-L92 WeakPolarHBondContact O-CB 3.47Å; L89-L92 PolarHBondContact O-N 3.47Å; L89-Y93 VanDerWaalsContact O-CD2 3.27Å; L89-Y93 WeakPolarHBondContact O-CD2 3.46Å; L89-Y93 PolarHBondContact O-N 3.15Å
90R91.4Very high91.6Very high165 Ų16546.8 Ų46.862%0.62325%0.245SC*.Hα-helixtrans-55.2-43.6175.7-177.3175173-176.8-3.5111.3E86 M87 L92 Y93 T94E86-R90 WeakPolarHBondContact O-CB 3.36Å; E86-R90 PolarHBondContact O-N 3.01Å; M87-R90 PolarHBondContact O-N 2.91Å; R90-L92 VanDerWaalsContact C-N 3.35Å; R90-L92 PolarHBondContact O-N 2.93Å; R90-Y93 PolarHBondContact O-N 3.48Å; R90-T94 HydrophobicContact CG-CG2 4.1Å; R90-T94 WeakPolarHBondContact O-CB 3.29Å; R90-T94 WeakPolarHBondContact O-CG2 3.32Å; R90-T94 PolarHBondContact O-N 3.21Å; R90-T94 PolarHBondContact O-OG1 2.95Å
91Y92.8Very high91.7Very high31 Ų3153 Ų5312%0.12227%0.274CS..Hα-helixtrans-60.8-40.9175.1174.1-92.3000112.6M87 I88 L89 Y93 T94 S95 I97 I119M87-Y91 PolarHBondContact O-N 2.88Å; I88-Y91 WeakPolarHBondContact O-CB 3.46Å; I88-Y91 PolarHBondContact O-N 2.83Å; L89-Y91 VanDerWaalsContact C-N 3.25Å; L89-Y91 PolarHBondContact O-N 2.9Å; Y91-Y93 PolarHBondContact O-N 3.38Å; Y91-Y93 VanDerWaalsContact O-N 3.15Å; Y91-T94 PolarHBondContact O-N 3Å; Y91-S95 VanDerWaalsContact CD2-C 3.49Å; Y91-S95 WeakPolarHBondContact CE2-O 3.37Å; Y91-S95 WeakPolarHBondContact O-CA 3.42Å; Y91-S95 PolarHBondContact O-N 2.96Å; Y91-I97 HydrophobicContact CD2-CB 3.58Å; Y91-I97 HydrophobicContact CD2-CG2 3.65Å; Y91-I97 HydrophobicContact CE2-CB 4.34Å; Y91-I97 HydrophobicContact CE2-CG2 3.91Å; Y91-I97 HydrophobicContact CG-CB 4.14Å; Y91-I97 HydrophobicContact CG-CG2 4.46Å; Y91-I119 HydrophobicContact CD1-CD1 3.46Å; Y91-I119 VanDerWaalsContact CD1-CD1 3.46Å; Y91-I119 HydrophobicContact CD1-CG1 3.23Å; Y91-I119 HydrophobicContact CE1-CD1 4.08Å; Y91-I119 HydrophobicContact CE1-CG1 3.32Å; Y91-I119 HydrophobicContact CG-CD1 4.03Å; Y91-I119 HydrophobicContact CG-CG1 3.96Å
92L91.1Very high91.6Very high19 Ų1956.3 Ų56.310%0.09929%0.287CS..Hα-helixtrans-60.5-26.1178.5-65-174.1000113.3V51 L52 I88 L89 R90 I116V51-L92 HydrophobicContact CG1-CB 4.27Å; L52-L92 HydrophobicContact CD2-CD1 3.72Å; I88-L92 WeakPolarHBondContact O-CG 3.27Å; I88-L92 PolarHBondContact O-N 3.46Å; L89-L92 HydrophobicContact CD2-CD1 4.47Å; L89-L92 WeakPolarHBondContact O-CB 3.47Å; L89-L92 PolarHBondContact O-N 3.47Å; R90-L92 VanDerWaalsContact C-N 3.35Å; R90-L92 PolarHBondContact O-N 2.93Å; L92-I116 HydrophobicContact CD2-CG2 4.06Å
93Y90.5Very high91.7Very high6 Ų657.3 Ų57.32%0.02429%0.291CS..Hα-helixtrans-98.3-26.5176.1-69.3-89.4000113.6Q21 L24 L28 H48 V51 L89 R90 Y91Q21-Y93 WeakPolarHBondContact CG-O 3.33Å; Q21-Y93 PolarHBondContact NE2-O 3.43Å; L24-Y93 HydrophobicContact CB-CD1 4.19Å; L24-Y93 HydrophobicContact CB-CE1 4.46Å; L28-Y93 HydrophobicContact CB-CD1 4.4Å; L28-Y93 HydrophobicContact CB-CE1 4.19Å; L28-Y93 HydrophobicContact CD2-CD1 4.12Å; L28-Y93 HydrophobicContact CD2-CD2 3.61Å; L28-Y93 HydrophobicContact CD2-CE1 4.06Å; L28-Y93 HydrophobicContact CD2-CE2 3.58Å; L28-Y93 HydrophobicContact CD2-CG 3.9Å; H48-Y93 PolarHBondContact N-OH 2.62Å; H48-Y93 AromaticContact ND1-CE1 3.52Å; H48-Y93 AromaticContact ND1-CZ 3.65Å; H48-Y93 PolarHBondContact ND1-OH 3.04Å; V51-Y93 HydrophobicContact CB-CE1 4.34Å; V51-Y93 HydrophobicContact CG1-CE1 4.13Å; V51-Y93 HydrophobicContact CG1-CE2 4.19Å; V51-Y93 HydrophobicContact CG2-CE1 3.9Å; L89-Y93 VanDerWaalsContact O-CD2 3.27Å; L89-Y93 WeakPolarHBondContact O-CD2 3.46Å; L89-Y93 PolarHBondContact O-N 3.15Å; R90-Y93 PolarHBondContact O-N 3.48Å; Y91-Y93 PolarHBondContact O-N 3.38Å; Y91-Y93 VanDerWaalsContact O-N 3.15Å
94T89.7Confident91.8Very high49 Ų4954.8 Ų54.830%0.30127%0.274SS..Hα-helixtrans-113.5-12.3-171.562.70000114.6Q21 R90 Y91 D96Q21-T94 VanDerWaalsContact NE2-CA 3.26Å; Q21-T94 PolarHBondContact NE2-O 2.99Å; R90-T94 HydrophobicContact CG-CG2 4.1Å; R90-T94 WeakPolarHBondContact O-CB 3.29Å; R90-T94 WeakPolarHBondContact O-CG2 3.32Å; R90-T94 PolarHBondContact O-N 3.21Å; R90-T94 PolarHBondContact O-OG1 2.95Å; Y91-T94 PolarHBondContact O-N 3Å; T94-D96 PolarHBondContact O-N 3.09Å; T94-D96 VanDerWaalsContact O-N 3.1Å; T94-D96 PolarHBondContact OG1-N 2.79Å
95S88.1Confident91.8Very high73 Ų7359 Ų5951%0.5129%0.293SS..SBendtrans56.515.6-173-62.20000113.9Q21 Y91Q21-S95 PolarHBondContact NE2-OG 2.94Å; Q21-S95 PolarHBondContact OE1-OG 3.05Å; Y91-S95 VanDerWaalsContact CD2-C 3.49Å; Y91-S95 WeakPolarHBondContact CE2-O 3.37Å; Y91-S95 WeakPolarHBondContact O-CA 3.42Å; Y91-S95 PolarHBondContact O-N 2.96Å
96D88.3Confident91.9Very high104 Ų10462.6 Ų62.656%0.55631%0.312SS*.  trans-118.4127.7-179.3-177.530.4000109.9T94T94-D96 PolarHBondContact O-N 3.09Å; T94-D96 VanDerWaalsContact O-N 3.1Å; T94-D96 PolarHBondContact OG1-N 2.79Å
97I93Very high92Very high26 Ų2657.8 Ų57.813%0.13329%0.29CS..  trans-141.6125.9179.2-167.7165.6000109.9M87 Y91 L99 I107 I119 V122M87-I97 HydrophobicContact CE-CG1 4.32Å; Y91-I97 HydrophobicContact CD2-CB 3.58Å; Y91-I97 HydrophobicContact CD2-CG2 3.65Å; Y91-I97 HydrophobicContact CE2-CB 4.34Å; Y91-I97 HydrophobicContact CE2-CG2 3.91Å; Y91-I97 HydrophobicContact CG-CB 4.14Å; Y91-I97 HydrophobicContact CG-CG2 4.46Å; I97-L99 HydrophobicContact CD1-CD2 4.18Å; I97-L99 HydrophobicContact CG1-CD2 4.12Å; I97-L99 HydrophobicContact CG2-CG 4.44Å; I97-L99 PolarHBondContact O-N 3.42Å; I97-I107 HydrophobicContact CD1-CD1 4.36Å; I97-I107 HydrophobicContact CD1-CG2 3.85Å; I97-I119 HydrophobicContact CD1-CD1 4.43Å; I97-I119 HydrophobicContact CD1-CG2 4.15Å; I97-V122 HydrophobicContact CG2-CG1 4.35Å
98N92.2Very high92.1Very high118 Ų11855.2 Ų55.263%0.63128%0.277SS*.  trans-91.199.8178.9-172.418.5000110.4M87 N103M87-N98 VanDerWaalsContact CE-O 3.3Å; M87-N98 WeakPolarHBondContact CE-O 3.3Å; N98-N103 PolarHBondContact O-ND2 3.09Å; N98-N103 VanDerWaalsContact O-ND2 3.09Å
99L93.6Very high92.1Very high21 Ų2158.2 Ų58.211%0.1129%0.292CS..  trans-86.8135.8175.8-61.7-175.1000111.2I97 V104 I107 V122 Y126I97-L99 HydrophobicContact CD1-CD2 4.18Å; I97-L99 HydrophobicContact CG1-CD2 4.12Å; I97-L99 HydrophobicContact CG2-CG 4.44Å; I97-L99 PolarHBondContact O-N 3.42Å; L99-V104 HydrophobicContact CD1-CG2 4.46Å; L99-I107 HydrophobicContact CD2-CD1 3.77Å; L99-I107 HydrophobicContact CD2-CG2 4.29Å; L99-V122 HydrophobicContact CD1-CG1 3.78Å; L99-Y126 HydrophobicContact CB-CD2 3.88Å; L99-Y126 HydrophobicContact CB-CE2 4.01Å; L99-Y126 HydrophobicContact CB-CG 4.19Å; L99-Y126 HydrophobicContact CD1-CD2 4.26Å; L99-Y126 HydrophobicContact CD1-CG 4.03Å
100T93.4Very high92.2Very high42 Ų4258.2 Ų58.226%0.25829%0.292SS..  trans-135.5163.5178660000109Q102 N103 V104T100-Q102 PolarHBondContact O-N 2.88Å; T100-N103 PolarHBondContact N-OD1 2.88Å; T100-N103 PolarHBondContact O-N 2.91Å; T100-N103 PolarHBondContact O-OD1 2.84Å; T100-N103 PolarHBondContact OG1-N 3.11Å; T100-N103 PolarHBondContact OG1-ND2 2.75Å; T100-N103 PolarHBondContact OG1-OD1 2.8Å; T100-V104 VanDerWaalsContact O-CB 3.31Å; T100-V104 WeakPolarHBondContact O-CB 3.43Å; T100-V104 WeakPolarHBondContact O-CG1 3.44Å; T100-V104 PolarHBondContact O-N 3.15Å
101E89.4Confident92.4Very high137 Ų13750.4 Ų50.464%0.6426%0.263SS*.THydrogen-bonded Turntrans-59.7-28.4176.8-65.8176.4-179.500112.9
102Q90.3Very high92.4Very high148 Ų14851.6 Ų51.669%0.69227%0.271SS*.THydrogen-bonded Turntrans-82.9-27.7-177.1-65.573.72900113.6T100T100-Q102 PolarHBondContact O-N 2.88Å
103N93.3Very high92.5Very high30 Ų3055.3 Ų55.316%0.1629%0.289CS..THydrogen-bonded Turntrans-109.9-17.3-173.570.15.6000114.2M87 N98 T100 Q105 D106 I107M87-N103 WeakPolarHBondContact CE-ND2 3.49Å; N98-N103 PolarHBondContact O-ND2 3.09Å; N98-N103 VanDerWaalsContact O-ND2 3.09Å; T100-N103 PolarHBondContact N-OD1 2.88Å; T100-N103 PolarHBondContact O-N 2.91Å; T100-N103 PolarHBondContact O-OD1 2.84Å; T100-N103 PolarHBondContact OG1-N 3.11Å; T100-N103 PolarHBondContact OG1-ND2 2.75Å; T100-N103 PolarHBondContact OG1-OD1 2.8Å; N103-Q105 VanDerWaalsContact C-N 3.3Å; N103-Q105 PolarHBondContact O-N 2.85Å; N103-D106 PolarHBondContact O-N 3.02Å; N103-I107 HydrophobicContact CB-CD1 3.97Å; N103-I107 VanDerWaalsContact O-CG1 3.28Å; N103-I107 WeakPolarHBondContact O-CG1 3.42Å; N103-I107 PolarHBondContact O-N 2.98Å
104V94.6Very high92.6Very high7 Ų755.5 Ų55.54%0.04229%0.29CS..Hα-helixtrans-61.8-38.2-171.662.50000112.3L99 T100 F108 C123 Y126 L127L99-V104 HydrophobicContact CD1-CG2 4.46Å; T100-V104 VanDerWaalsContact O-CB 3.31Å; T100-V104 WeakPolarHBondContact O-CB 3.43Å; T100-V104 WeakPolarHBondContact O-CG1 3.44Å; T100-V104 PolarHBondContact O-N 3.15Å; V104-F108 WeakPolarHBondContact O-CB 3.44Å; V104-F108 PolarHBondContact O-N 2.82Å; V104-C123 HydrophobicContact CG2-CB 4.23Å; V104-Y126 HydrophobicContact CB-CD1 4.23Å; V104-Y126 HydrophobicContact CB-CE1 4.25Å; V104-Y126 HydrophobicContact CG1-CD1 4.38Å; V104-Y126 HydrophobicContact CG1-CE1 4.16Å; V104-Y126 HydrophobicContact CG2-CD1 3.79Å; V104-Y126 HydrophobicContact CG2-CE1 4.32Å; V104-L127 HydrophobicContact CG1-CD2 3.77Å; V104-L127 HydrophobicContact CG2-CD1 4.41Å; V104-L127 HydrophobicContact CG2-CD2 4Å; V104-L127 HydrophobicContact CG2-CG 3.96Å
105Q93.8Very high92.9Very high95 Ų9558.1 Ų58.144%0.44430%0.299SS..Hα-helixtrans-62.3-51.3179.5178.5175.3-33.300111N103 I107 F108 M109 L142N103-Q105 VanDerWaalsContact C-N 3.3Å; N103-Q105 PolarHBondContact O-N 2.85Å; Q105-I107 PolarHBondContact O-N 2.85Å; Q105-F108 PolarHBondContact O-N 2.84Å; Q105-M109 HydrophobicContact CG-SD 4.16Å; Q105-M109 VanDerWaalsContact O-CG 3.28Å; Q105-M109 WeakPolarHBondContact O-CG 3.11Å; Q105-M109 PolarHBondContact O-N 2.92Å; Q105-L142 HydrophobicContact CB-CD2 4.36Å; Q105-L142 HydrophobicContact CG-CD1 3.97Å; Q105-L142 HydrophobicContact CG-CD2 4Å
106D93.8Very high93.2Very high76 Ų7654.7 Ų54.741%0.40628%0.275SS..Hα-helixtrans-65.2-43.1-177.9-60.8-36000111.4V84 N103 F108 M109 V110V84-D106 HydrophobicContact CG1-CB 4.45Å; V84-D106 HydrophobicContact CG2-CB 3.82Å; N103-D106 PolarHBondContact O-N 3.02Å; D106-F108 VanDerWaalsContact C-N 3.3Å; D106-F108 PolarHBondContact O-N 3.34Å; D106-M109 PolarHBondContact O-N 2.91Å; D106-V110 VanDerWaalsContact O-CG2 3.29Å; D106-V110 WeakPolarHBondContact O-CG2 3.42Å; D106-V110 PolarHBondContact O-N 3Å
107I95.1Very high93.5Very high0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-60-43.3175.3-65.6166.5000110.4V84 M87 I88 I97 L99 N103 Q105 V110 A111 I119V84-I107 HydrophobicContact CG1-CB 4.44Å; V84-I107 HydrophobicContact CG1-CG1 3.9Å; M87-I107 HydrophobicContact CE-CD1 3.75Å; M87-I107 HydrophobicContact SD-CD1 4.18Å; I88-I107 HydrophobicContact CG1-CG2 4.33Å; I97-I107 HydrophobicContact CD1-CD1 4.36Å; I97-I107 HydrophobicContact CD1-CG2 3.85Å; L99-I107 HydrophobicContact CD2-CD1 3.77Å; L99-I107 HydrophobicContact CD2-CG2 4.29Å; N103-I107 HydrophobicContact CB-CD1 3.97Å; N103-I107 VanDerWaalsContact O-CG1 3.28Å; N103-I107 WeakPolarHBondContact O-CG1 3.42Å; N103-I107 PolarHBondContact O-N 2.98Å; Q105-I107 PolarHBondContact O-N 2.85Å; I107-V110 PolarHBondContact O-N 2.88Å; I107-A111 VanDerWaalsContact O-CB 3.26Å; I107-A111 WeakPolarHBondContact O-CB 3.25Å; I107-A111 PolarHBondContact O-N 3.09Å; I107-I119 HydrophobicContact CG2-CG2 3.6Å
108F95.3Very high93.5Very high0 Ų054.6 Ų54.60%028%0.283CS..Hα-helixtrans-66.5-41.2-179.1-170-135.2000112V104 Q105 D106 A111 N112 F120 C123 L124 L127 L142 L146 L151V104-F108 WeakPolarHBondContact O-CB 3.44Å; V104-F108 PolarHBondContact O-N 2.82Å; Q105-F108 PolarHBondContact O-N 2.84Å; D106-F108 VanDerWaalsContact C-N 3.3Å; D106-F108 PolarHBondContact O-N 3.34Å; F108-A111 PolarHBondContact O-N 3.25Å; F108-N112 WeakPolarHBondContact O-CB 3.46Å; F108-N112 PolarHBondContact O-N 3.35Å; F108-F120 AromaticContact CD2-CD2 3.95Å; F108-F120 HydrophobicContact CD2-CD2 3.95Å; F108-F120 HydrophobicContact CD2-CE2 4.23Å; F108-F120 HydrophobicContact CD2-CG 4.39Å; F108-F120 HydrophobicContact CE2-CB 4.47Å; F108-F120 AromaticContact CE2-CD1 4Å; F108-F120 HydrophobicContact CE2-CD1 4Å; F108-F120 AromaticContact CE2-CD2 3.36Å; F108-F120 HydrophobicContact CE2-CD2 3.36Å; F108-F120 AromaticContact CE2-CE1 4Å; F108-F120 HydrophobicContact CE2-CE1 4Å; F108-F120 AromaticContact CE2-CE2 3.37Å; F108-F120 HydrophobicContact CE2-CE2 3.37Å; F108-F120 AromaticContact CE2-CG 3.69Å; F108-F120 HydrophobicContact CE2-CG 3.69Å; F108-F120 AromaticContact CE2-CZ 3.7Å; F108-F120 HydrophobicContact CE2-CZ 3.7Å; F108-F120 WeakPolarHBondContact CE2-O 3.46Å; F108-F120 HydrophobicContact CZ-CD2 4.08Å; F108-F120 HydrophobicContact CZ-CE1 4.16Å; F108-F120 AromaticContact CZ-CE2 3.58Å; F108-F120 HydrophobicContact CZ-CE2 3.58Å; F108-F120 AromaticContact CZ-CZ 3.63Å; F108-F120 HydrophobicContact CZ-CZ 3.63Å; F108-C123 HydrophobicContact CB-CB 3.88Å; F108-C123 HydrophobicContact CD2-CB 3.38Å; F108-C123 HydrophobicContact CE2-CB 4.12Å; F108-C123 HydrophobicContact CG-CB 3.86Å; F108-L124 HydrophobicContact CE2-CB 4.25Å; F108-L124 HydrophobicContact CZ-CB 4.33Å; F108-L127 HydrophobicContact CD1-CD1 3.85Å; F108-L127 HydrophobicContact CE1-CD1 4.13Å; F108-L127 HydrophobicContact CG-CD1 4.41Å; F108-L142 HydrophobicContact CD1-CD2 4.07Å; F108-L142 HydrophobicContact CD1-CG 4.34Å; F108-L146 HydrophobicContact CD1-CD1 3.25Å; F108-L146 HydrophobicContact CE1-CD1 3.36Å; F108-L146 HydrophobicContact CG-CD1 4.06Å; F108-L146 HydrophobicContact CZ-CD1 4.26Å; F108-L151 HydrophobicContact CE1-CD2 3.63Å; F108-L151 HydrophobicContact CZ-CD2 4.26Å
109M93.5Very high93.6Very high64 Ų6449 Ų4932%0.31525%0.253SS..Hα-helixtrans-60.9-46.3174.5-69.5179.371.400111.6Q105 D106 N112 M113 L142 L145 L146Q105-M109 HydrophobicContact CG-SD 4.16Å; Q105-M109 VanDerWaalsContact O-CG 3.28Å; Q105-M109 WeakPolarHBondContact O-CG 3.11Å; Q105-M109 PolarHBondContact O-N 2.92Å; D106-M109 PolarHBondContact O-N 2.91Å; M109-N112 PolarHBondContact O-N 2.91Å; M109-M113 WeakPolarHBondContact O-CB 3.42Å; M109-M113 PolarHBondContact O-N 3.1Å; M109-L142 HydrophobicContact CG-CD1 4.19Å; M109-L145 HydrophobicContact CE-CD2 4.21Å; M109-L146 HydrophobicContact CG-CD1 4.47Å; M109-L146 HydrophobicContact CG-CD2 4.14Å
110V94.1Very high93.7Very high12 Ų1250.1 Ų50.17%0.07326%0.257CS..Hα-helixtrans-68.2-39.7179.4178.10000111.4V80 V84 M85 I88 D106 I107 N112 M113 Y114V80-V110 HydrophobicContact CG1-CG1 4.14Å; V80-V110 HydrophobicContact CG1-CG2 3.91Å; V84-V110 HydrophobicContact CG1-CB 4.15Å; V84-V110 HydrophobicContact CG1-CG2 3.81Å; M85-V110 HydrophobicContact SD-CG1 4.33Å; I88-V110 HydrophobicContact CD1-CB 3.66Å; I88-V110 HydrophobicContact CD1-CG1 3.3Å; D106-V110 VanDerWaalsContact O-CG2 3.29Å; D106-V110 WeakPolarHBondContact O-CG2 3.42Å; D106-V110 PolarHBondContact O-N 3Å; I107-V110 PolarHBondContact O-N 2.88Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 3.42Å; V110-M113 PolarHBondContact O-N 2.95Å; V110-Y114 HydrophobicContact CG1-CD2 3.56Å; V110-Y114 HydrophobicContact CG1-CE2 3.78Å; V110-Y114 WeakPolarHBondContact O-CD2 3.44Å; V110-Y114 PolarHBondContact O-N 2.94Å
111A94.7Very high93.7Very high0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-63.2-38174.700000112.1I107 F108 Q115 I116 I119 F120I107-A111 VanDerWaalsContact O-CB 3.26Å; I107-A111 WeakPolarHBondContact O-CB 3.25Å; I107-A111 PolarHBondContact O-N 3.09Å; F108-A111 PolarHBondContact O-N 3.25Å; A111-Q115 CarbonylContact O-C 3.49Å; A111-Q115 VanDerWaalsContact O-CA 3.31Å; A111-Q115 WeakPolarHBondContact O-CA 3.39Å; A111-Q115 PolarHBondContact O-N 2.82Å; A111-I116 HydrophobicContact CB-CB 4.42Å; A111-I116 PolarHBondContact O-N 3.47Å; A111-I119 HydrophobicContact CB-CB 3.99Å; A111-I119 HydrophobicContact CB-CG2 3.75Å; A111-F120 HydrophobicContact CB-CB 4.49Å
112N93.9Very high93.9Very high57 Ų5747.4 Ų47.431%0.30525%0.252SS..Hα-helixtrans-67.3-49.7173.3-171.453.4000111.4F108 M109 V110 Y114 Q115 F120 L146F108-N112 WeakPolarHBondContact O-CB 3.46Å; F108-N112 PolarHBondContact O-N 3.35Å; M109-N112 PolarHBondContact O-N 2.91Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 3.42Å; N112-Y114 VanDerWaalsContact C-N 3.35Å; N112-Y114 PolarHBondContact O-N 2.76Å; N112-Q115 PolarHBondContact O-N 2.77Å; N112-F120 HydrophobicContact CB-CD2 4.07Å; N112-F120 HydrophobicContact CB-CE2 3.97Å; N112-F120 WeakPolarHBondContact OD1-CE2 3.48Å; N112-L146 HydrophobicContact CB-CD2 4.09Å
113M92.6Very high94.2Very high96 Ų9640.3 Ų40.347%0.47322%0.219SC..Hα-helixtrans-56.3-46.8-178.6-176.9-175-69.200112.1V80 M109 V110 Q115V80-M113 HydrophobicContact CG2-SD 4.48Å; M109-M113 WeakPolarHBondContact O-CB 3.42Å; M109-M113 PolarHBondContact O-N 3.1Å; V110-M113 PolarHBondContact O-N 2.95Å; M113-Q115 VanDerWaalsContact C-N 3.34Å
114Y92.8Very high94.3Very high11 Ų1139.2 Ų39.24%0.04321%0.213CC..THydrogen-bonded Turntrans-94.112.6177.8-62-59.4000113.7S56 F58 F59 L77 V80 V110 N112 I116S56-Y114 PolarHBondContact OG-O 3.46Å; F58-Y114 WeakPolarHBondContact CB-O 3.23Å; F58-Y114 AromaticContact CD1-CD1 3.63Å; F58-Y114 HydrophobicContact CD1-CD1 3.63Å; F58-Y114 HydrophobicContact CD1-CE1 4.41Å; F58-Y114 AromaticContact CE1-CD1 3.56Å; F58-Y114 HydrophobicContact CE1-CD1 3.56Å; F58-Y114 AromaticContact CE1-CE1 3.89Å; F58-Y114 HydrophobicContact CE1-CE1 3.89Å; F58-Y114 HydrophobicContact CG-CD1 4.27Å; F58-Y114 HydrophobicContact CZ-CD1 4.15Å; F58-Y114 HydrophobicContact CZ-CE1 4.23Å; F59-Y114 HydrophobicContact CE2-CD1 4.27Å; F59-Y114 HydrophobicContact CE2-CG 4.12Å; F59-Y114 AromaticContact CZ-CD1 3.99Å; F59-Y114 HydrophobicContact CZ-CD1 3.99Å; F59-Y114 HydrophobicContact CZ-CE1 4.47Å; F59-Y114 HydrophobicContact CZ-CG 4.18Å; L77-Y114 HydrophobicContact CD1-CE1 4.34Å; L77-Y114 HydrophobicContact CD1-CE2 4.32Å; L77-Y114 HydrophobicContact CD2-CE1 3.91Å; V80-Y114 HydrophobicContact CG2-CE2 3.66Å; V80-Y114 VanDerWaalsContact CG2-OH 3.22Å; V80-Y114 WeakPolarHBondContact CG2-OH 3.2Å; V110-Y114 HydrophobicContact CG1-CD2 3.56Å; V110-Y114 HydrophobicContact CG1-CE2 3.78Å; V110-Y114 WeakPolarHBondContact O-CD2 3.44Å; V110-Y114 PolarHBondContact O-N 2.94Å; N112-Y114 VanDerWaalsContact C-N 3.35Å; N112-Y114 PolarHBondContact O-N 2.76Å; Y114-I116 PolarHBondContact O-N 2.71Å
115Q94.5Very high94.3Very high103 Ų10341.4 Ų41.448%0.48123%0.226SC..THydrogen-bonded Turntrans47.962.9176.2-56.2176.313.600112S56 P57 F58 A111 N112 M113 P117S56-Q115 WeakPolarHBondContact CA-O 3.47Å; P57-Q115 WeakPolarHBondContact CD-O 3.48Å; F58-Q115 HydrophobicContact CB-CB 4.24Å; F58-Q115 HydrophobicContact CB-CG 4.34Å; A111-Q115 CarbonylContact O-C 3.49Å; A111-Q115 VanDerWaalsContact O-CA 3.31Å; A111-Q115 WeakPolarHBondContact O-CA 3.39Å; A111-Q115 PolarHBondContact O-N 2.82Å; N112-Q115 PolarHBondContact O-N 2.77Å; M113-Q115 VanDerWaalsContact C-N 3.34Å; Q115-P117 VanDerWaalsContact O-CD 3.29Å; Q115-P117 WeakPolarHBondContact O-CD 3.48Å
116I95.3Very high94.3Very high1 Ų139.3 Ų39.31%0.00522%0.215CC..  trans-105.391.5177.2-54.7176.5000107.9I88 L92 A111 Y114 S118 I119 F120I88-I116 HydrophobicContact CG2-CD1 3.4Å; L92-I116 HydrophobicContact CD2-CG2 4.06Å; A111-I116 HydrophobicContact CB-CB 4.42Å; A111-I116 PolarHBondContact O-N 3.47Å; Y114-I116 PolarHBondContact O-N 2.71Å; I116-S118 VanDerWaalsContact C-N 3.31Å; I116-S118 PolarHBondContact O-N 2.99Å; I116-I119 HydrophobicContact CG2-CB 4.09Å; I116-I119 HydrophobicContact CG2-CD1 3.88Å; I116-I119 HydrophobicContact CG2-CG1 3.82Å; I116-I119 PolarHBondContact O-N 2.85Å; I116-F120 WeakPolarHBondContact O-CB 3.47Å; I116-F120 PolarHBondContact O-N 3.48Å
117P93.8Very high94.4Very high79 Ų7936.3 Ų36.351%0.51320%0.199SC..Hα-helixtrans-66.5-31.4-165.3-22.435.8000113.7Q115 S121Q115-P117 VanDerWaalsContact O-CD 3.29Å; Q115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-S121 WeakPolarHBondContact O-CB 3.25Å; P117-S121 PolarHBondContact O-N 3.13Å
118S93.7Very high94.4Very high49 Ų4938.8 Ų38.834%0.34321%0.21SC..Hα-helixtrans-64.4-51.3178.947.30000111.6I116 S121 V122I116-S118 VanDerWaalsContact C-N 3.31Å; I116-S118 PolarHBondContact O-N 2.99Å; S118-S121 PolarHBondContact O-N 3.49Å; S118-V122 WeakPolarHBondContact O-CG2 3.44Å; S118-V122 PolarHBondContact O-N 3.42Å; S118-V122 VanDerWaalsContact O-N 3.16Å
119I94.9Very high94.2Very high0 Ų044.8 Ų44.80%024%0.242CC..Hα-helixtrans-66-41.9176.1-59.9-178.9000110.7I88 Y91 I97 I107 A111 I116 S121 V122 C123I88-I119 HydrophobicContact CB-CD1 4.03Å; I88-I119 HydrophobicContact CG1-CD1 3.82Å; I88-I119 HydrophobicContact CG2-CD1 3.72Å; Y91-I119 HydrophobicContact CD1-CD1 3.46Å; Y91-I119 VanDerWaalsContact CD1-CD1 3.46Å; Y91-I119 HydrophobicContact CD1-CG1 3.23Å; Y91-I119 HydrophobicContact CE1-CD1 4.08Å; Y91-I119 HydrophobicContact CE1-CG1 3.32Å; Y91-I119 HydrophobicContact CG-CD1 4.03Å; Y91-I119 HydrophobicContact CG-CG1 3.96Å; I97-I119 HydrophobicContact CD1-CD1 4.43Å; I97-I119 HydrophobicContact CD1-CG2 4.15Å; I107-I119 HydrophobicContact CG2-CG2 3.6Å; A111-I119 HydrophobicContact CB-CB 3.99Å; A111-I119 HydrophobicContact CB-CG2 3.75Å; I116-I119 HydrophobicContact CG2-CB 4.09Å; I116-I119 HydrophobicContact CG2-CD1 3.88Å; I116-I119 HydrophobicContact CG2-CG1 3.82Å; I116-I119 PolarHBondContact O-N 2.85Å; I119-S121 VanDerWaalsContact C-N 3.29Å; I119-S121 PolarHBondContact O-N 3.25Å; I119-V122 PolarHBondContact O-N 3.48Å; I119-C123 PolarHBondContact O-N 3.17Å; I119-C123 PolarHBondContact O-SG 3Å
120F94.6Very high94.2Very high46 Ų4647 Ų4720%0.20225%0.25CS..Hα-helixtrans-55-46.9176.8-174.2-83.2000111.2F108 A111 N112 I116 C123 L124 C148F108-F120 AromaticContact CD2-CD2 3.95Å; F108-F120 HydrophobicContact CD2-CD2 3.95Å; F108-F120 HydrophobicContact CD2-CE2 4.23Å; F108-F120 HydrophobicContact CD2-CG 4.39Å; F108-F120 HydrophobicContact CE2-CB 4.47Å; F108-F120 AromaticContact CE2-CD1 4Å; F108-F120 HydrophobicContact CE2-CD1 4Å; F108-F120 AromaticContact CE2-CD2 3.36Å; F108-F120 HydrophobicContact CE2-CD2 3.36Å; F108-F120 AromaticContact CE2-CE1 4Å; F108-F120 HydrophobicContact CE2-CE1 4Å; F108-F120 AromaticContact CE2-CE2 3.37Å; F108-F120 HydrophobicContact CE2-CE2 3.37Å; F108-F120 AromaticContact CE2-CG 3.69Å; F108-F120 HydrophobicContact CE2-CG 3.69Å; F108-F120 AromaticContact CE2-CZ 3.7Å; F108-F120 HydrophobicContact CE2-CZ 3.7Å; F108-F120 WeakPolarHBondContact CE2-O 3.46Å; F108-F120 HydrophobicContact CZ-CD2 4.08Å; F108-F120 HydrophobicContact CZ-CE1 4.16Å; F108-F120 AromaticContact CZ-CE2 3.58Å; F108-F120 HydrophobicContact CZ-CE2 3.58Å; F108-F120 AromaticContact CZ-CZ 3.63Å; F108-F120 HydrophobicContact CZ-CZ 3.63Å; A111-F120 HydrophobicContact CB-CB 4.49Å; N112-F120 HydrophobicContact CB-CD2 4.07Å; N112-F120 HydrophobicContact CB-CE2 3.97Å; N112-F120 WeakPolarHBondContact OD1-CE2 3.48Å; I116-F120 WeakPolarHBondContact O-CB 3.47Å; I116-F120 PolarHBondContact O-N 3.48Å; F120-C123 PolarHBondContact O-N 3.15Å; F120-L124 HydrophobicContact CE1-CD1 4.07Å; F120-L124 VanDerWaalsContact O-CB 3.3Å; F120-L124 WeakPolarHBondContact O-CB 3.43Å; F120-L124 PolarHBondContact O-N 2.89Å; F120-C148 HydrophobicContact CZ-CB 4.26Å
121S94.1Very high94.1Very high60 Ų6047.6 Ų47.642%0.4225%0.252SS..Hα-helixtrans-63.9-41.8178.4-168.60000112.3P117 S118 I119 L124 T125P117-S121 WeakPolarHBondContact O-CB 3.25Å; P117-S121 PolarHBondContact O-N 3.13Å; S118-S121 PolarHBondContact O-N 3.49Å; I119-S121 VanDerWaalsContact C-N 3.29Å; I119-S121 PolarHBondContact O-N 3.25Å; S121-L124 PolarHBondContact O-N 2.94Å; S121-T125 PolarHBondContact O-N 2.88Å; S121-T125 PolarHBondContact O-OG1 3.13Å
122V94.4Very high94Very high61 Ų6151.5 Ų51.537%0.3728%0.276SS..Hα-helixtrans-66.4-43.4-179.9177.10000111I97 L99 S118 I119 T125 Y126I97-V122 HydrophobicContact CG2-CG1 4.35Å; L99-V122 HydrophobicContact CD1-CG1 3.78Å; S118-V122 WeakPolarHBondContact O-CG2 3.44Å; S118-V122 PolarHBondContact O-N 3.42Å; S118-V122 VanDerWaalsContact O-N 3.16Å; I119-V122 PolarHBondContact O-N 3.48Å; V122-T125 PolarHBondContact O-N 3.23Å; V122-Y126 WeakPolarHBondContact O-CB 3.14Å; V122-Y126 PolarHBondContact O-N 3.49Å
123C95.6Very high93.9Very high0 Ų052.4 Ų52.40%028%0.281CS..Hα-helixtrans-64.8-41.5176.2-63.80000111.8V104 F108 I119 F120 Y126 L127V104-C123 HydrophobicContact CG2-CB 4.23Å; F108-C123 HydrophobicContact CB-CB 3.88Å; F108-C123 HydrophobicContact CD2-CB 3.38Å; F108-C123 HydrophobicContact CE2-CB 4.12Å; F108-C123 HydrophobicContact CG-CB 3.86Å; I119-C123 PolarHBondContact O-N 3.17Å; I119-C123 PolarHBondContact O-SG 3Å; F120-C123 PolarHBondContact O-N 3.15Å; C123-Y126 PolarHBondContact O-N 3.45Å; C123-L127 WeakPolarHBondContact O-CB 3.38Å; C123-L127 WeakPolarHBondContact O-CG 3.23Å; C123-L127 PolarHBondContact O-N 3.11Å
124L94.8Very high93.8Very high6 Ų650.8 Ų50.83%0.03129%0.288CS..Hα-helixtrans-60.4-48176.9-179.9137.8000111.4F108 F120 S121 L127 Q128 C148 R150 L151F108-L124 HydrophobicContact CE2-CB 4.25Å; F108-L124 HydrophobicContact CZ-CB 4.33Å; F120-L124 HydrophobicContact CE1-CD1 4.07Å; F120-L124 VanDerWaalsContact O-CB 3.3Å; F120-L124 WeakPolarHBondContact O-CB 3.43Å; F120-L124 PolarHBondContact O-N 2.89Å; S121-L124 PolarHBondContact O-N 2.94Å; L124-L127 PolarHBondContact O-N 2.69Å; L124-Q128 VanDerWaalsContact O-CG 3.32Å; L124-Q128 WeakPolarHBondContact O-CG 3.47Å; L124-Q128 PolarHBondContact O-N 3.3Å; L124-C148 VanDerWaalsContact CD1-SG 3.51Å; L124-R150 HydrophobicContact CD1-CB 4.29Å; L124-R150 HydrophobicContact CD1-CG 4.43Å; L124-R150 HydrophobicContact CD2-CG 4.37Å; L124-L151 HydrophobicContact CD1-CB 4.34Å
125T94.8Very high93.8Very high54 Ų5452.2 Ų52.233%0.33130%0.297SS..Hα-helixtrans-61.6-45.1176.2-64.30000111.4S121 V122 L127 Q128 D129S121-T125 PolarHBondContact O-N 2.88Å; S121-T125 PolarHBondContact O-OG1 3.13Å; V122-T125 PolarHBondContact O-N 3.23Å; T125-L127 PolarHBondContact O-N 2.83Å; T125-Q128 PolarHBondContact O-N 3.22Å; T125-D129 WeakPolarHBondContact CG2-OD2 3.16Å; T125-D129 WeakPolarHBondContact O-CB 3.38Å; T125-D129 VanDerWaalsContact O-CG 3.28Å; T125-D129 PolarHBondContact O-N 2.98Å
126Y95.1Very high93.9Very high50 Ų5047.4 Ų47.420%0.19627%0.274CS..Hα-helixtrans-57.3-46.4177-178.7-83.8000112.4L99 V104 V122 C123 D129 K130L99-Y126 HydrophobicContact CB-CD2 3.88Å; L99-Y126 HydrophobicContact CB-CE2 4.01Å; L99-Y126 HydrophobicContact CB-CG 4.19Å; L99-Y126 HydrophobicContact CD1-CD2 4.26Å; L99-Y126 HydrophobicContact CD1-CG 4.03Å; V104-Y126 HydrophobicContact CB-CD1 4.23Å; V104-Y126 HydrophobicContact CB-CE1 4.25Å; V104-Y126 HydrophobicContact CG1-CD1 4.38Å; V104-Y126 HydrophobicContact CG1-CE1 4.16Å; V104-Y126 HydrophobicContact CG2-CD1 3.79Å; V104-Y126 HydrophobicContact CG2-CE1 4.32Å; V122-Y126 WeakPolarHBondContact O-CB 3.14Å; V122-Y126 PolarHBondContact O-N 3.49Å; C123-Y126 PolarHBondContact O-N 3.45Å; Y126-D129 PolarHBondContact O-N 3.39Å; Y126-K130 HydrophobicContact CD1-CG 4.41Å; Y126-K130 HydrophobicContact CE1-CB 4.46Å; Y126-K130 HydrophobicContact CE1-CG 4.13Å; Y126-K130 HydrophobicContact CE2-CG 4.27Å; Y126-K130 WeakPolarHBondContact O-CB 3.41Å; Y126-K130 WeakPolarHBondContact O-CG 3.49Å; Y126-K130 PolarHBondContact O-N 2.93Å
127L95.6Very high93.9Very high13 Ų1347.8 Ų47.87%0.06828%0.276CS..Hα-helixtrans-67-35.8179.4-71.2172.3000112.5V104 F108 C123 L124 T125 M131 I139 L142 L151V104-L127 HydrophobicContact CG1-CD2 3.77Å; V104-L127 HydrophobicContact CG2-CD1 4.41Å; V104-L127 HydrophobicContact CG2-CD2 4Å; V104-L127 HydrophobicContact CG2-CG 3.96Å; F108-L127 HydrophobicContact CD1-CD1 3.85Å; F108-L127 HydrophobicContact CE1-CD1 4.13Å; F108-L127 HydrophobicContact CG-CD1 4.41Å; C123-L127 WeakPolarHBondContact O-CB 3.38Å; C123-L127 WeakPolarHBondContact O-CG 3.23Å; C123-L127 PolarHBondContact O-N 3.11Å; L124-L127 PolarHBondContact O-N 2.69Å; T125-L127 PolarHBondContact O-N 2.83Å; L127-M131 PolarHBondContact O-N 2.79Å; L127-I139 HydrophobicContact CD2-CD1 4.36Å; L127-I139 HydrophobicContact CD2-CG1 4.3Å; L127-L142 HydrophobicContact CD1-CD2 3.99Å; L127-L151 HydrophobicContact CB-CD1 4.03Å; L127-L151 HydrophobicContact CD1-CD2 3.99Å
128Q93.8Very high93.9Very high53 Ų5346.5 Ų46.525%0.24827%0.273CS..Hα-helixtrans-67.4-45.5175.1-72.1-173.4-44.600111.5L124 T125 K130 M131 R150 L151L124-Q128 VanDerWaalsContact O-CG 3.32Å; L124-Q128 WeakPolarHBondContact O-CG 3.47Å; L124-Q128 PolarHBondContact O-N 3.3Å; T125-Q128 PolarHBondContact O-N 3.22Å; Q128-K130 VanDerWaalsContact C-N 3.32Å; Q128-K130 PolarHBondContact O-N 3.02Å; Q128-M131 WeakPolarHBondContact O-CB 3.04Å; Q128-M131 PolarHBondContact O-N 3.41Å; Q128-R150 PolarHBondContact NE2-O 3.05Å; Q128-L151 HydrophobicContact CG-CD1 4.06Å
129D92.6Very high94Very high125 Ų12544.6 Ų44.667%0.66826%0.258SS*.Hα-helixtrans-72.3-24.4-177.5-67.3-11.9000113.2T125 Y126T125-D129 WeakPolarHBondContact CG2-OD2 3.16Å; T125-D129 WeakPolarHBondContact O-CB 3.38Å; T125-D129 VanDerWaalsContact O-CG 3.28Å; T125-D129 PolarHBondContact O-N 2.98Å; Y126-D129 PolarHBondContact O-N 3.39Å
130K92.6Very high94.1Very high111 Ų11144.6 Ų44.648%0.48326%0.258SS..THydrogen-bonded Turntrans-10419-179.8-61.3-60.8-174.9-177.20113.6Y126 Q128 N135Y126-K130 HydrophobicContact CD1-CG 4.41Å; Y126-K130 HydrophobicContact CE1-CB 4.46Å; Y126-K130 HydrophobicContact CE1-CG 4.13Å; Y126-K130 HydrophobicContact CE2-CG 4.27Å; Y126-K130 WeakPolarHBondContact O-CB 3.41Å; Y126-K130 WeakPolarHBondContact O-CG 3.49Å; Y126-K130 PolarHBondContact O-N 2.93Å; Q128-K130 VanDerWaalsContact C-N 3.32Å; Q128-K130 PolarHBondContact O-N 3.02Å; K130-N135 PolarHBondContact O-ND2 2.85Å
131M93.1Very high94.2Very high24 Ų2445 Ų4512%0.11826%0.26CS..  trans-74.3126.5178.4-167177.4-61.700111.5L127 Q128 C136 I139 A155 F158L127-M131 PolarHBondContact O-N 2.79Å; Q128-M131 WeakPolarHBondContact O-CB 3.04Å; Q128-M131 PolarHBondContact O-N 3.41Å; M131-C136 HydrophobicContact CG-CB 4.13Å; M131-I139 HydrophobicContact CB-CD1 4.41Å; M131-I139 HydrophobicContact CE-CG2 3.95Å; M131-I139 HydrophobicContact CG-CD1 4.28Å; M131-A155 HydrophobicContact CE-CB 3.77Å; M131-A155 HydrophobicContact SD-CB 4.22Å; M131-F158 HydrophobicContact CG-CD1 4.15Å; M131-F158 HydrophobicContact CG-CD2 4.08Å; M131-F158 HydrophobicContact CG-CE1 4.38Å; M131-F158 HydrophobicContact CG-CE2 4.32Å; M131-F158 HydrophobicContact CG-CG 4Å; M131-F158 HydrophobicContact CG-CZ 4.47Å; M131-F158 HydrophobicContact SD-CB 3.4Å; M131-F158 WeakPolarHBondContact SD-CB 3.37Å; M131-F158 HydrophobicContact SD-CD1 4.03Å; M131-F158 HydrophobicContact SD-CD2 3.85Å; M131-F158 HydrophobicContact SD-CG 3.5Å; M131-F158 WeakPolarHBondContact SD-CG 2.94Å
132V91.9Very high94.3Very high83 Ų8342.7 Ų42.750%0.50324%0.243SC..  trans-140.5168.5178.8-63.70000110.1G134 N135 C136V132-G134 PolarHBondContact O-N 2.96Å; V132-N135 HydrophobicContact CG2-CB 4.46Å; V132-N135 PolarHBondContact N-OD1 2.87Å; V132-N135 PolarHBondContact O-N 3.2Å; V132-N135 VanDerWaalsContact O-N 3.12Å; V132-N135 PolarHBondContact O-OD1 2.89Å; V132-C136 WeakPolarHBondContact O-CB 3.24Å; V132-C136 PolarHBondContact O-N 2.92Å
133L90.6Very high94.3Very high76 Ų7639.8 Ų39.840%0.39823%0.225SC..THydrogen-bonded Turntrans-53.7-38.6-179.8-71.9170.9000113.3N135 C136 F158 R162 V165 V166L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.89Å; L133-C136 PolarHBondContact O-SG 2.85Å; L133-F158 HydrophobicContact CD2-CE1 4.3Å; L133-R162 HydrophobicContact CD2-CB 3.89Å; L133-R162 HydrophobicContact CD2-CG 4.41Å; L133-V165 HydrophobicContact CD1-CG1 3.98Å; L133-V165 HydrophobicContact CD2-CG1 4.46Å; L133-V166 HydrophobicContact CD2-CG2 3.97Å
134G90.5Very high94.3Very high61 Ų6142 Ų4263%0.62924%0.237SC*.THydrogen-bonded Turntrans-75.5-11-177.400000115.5V132V132-G134 PolarHBondContact O-N 2.96Å
135N93.6Very high94.3Very high42 Ų4247.2 Ų47.223%0.22526%0.264CS..THydrogen-bonded Turntrans-127.1-6.6179.671.28.9000114K130 V132 L133 L137 A138 I139K130-N135 PolarHBondContact O-ND2 2.85Å; V132-N135 HydrophobicContact CG2-CB 4.46Å; V132-N135 PolarHBondContact N-OD1 2.87Å; V132-N135 PolarHBondContact O-N 3.2Å; V132-N135 VanDerWaalsContact O-N 3.12Å; V132-N135 PolarHBondContact O-OD1 2.89Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.89Å; N135-L137 PolarHBondContact O-N 2.7Å; N135-A138 PolarHBondContact O-N 3Å; N135-A138 VanDerWaalsContact O-N 3.16Å; N135-I139 HydrophobicContact CB-CD1 4.32Å; N135-I139 WeakPolarHBondContact O-CG1 3.5Å; N135-I139 PolarHBondContact O-N 3.38Å; N135-I139 WeakPolarHBondContact OD1-CD1 3.37Å
136C95.8Very high94.2Very high1 Ų145.4 Ų45.41%0.00725%0.253CS..Hα-helixtrans-61.7-39.8-173.163.70000113.2M131 V132 L133 I139 F140 F158 I159M131-C136 HydrophobicContact CG-CB 4.13Å; V132-C136 WeakPolarHBondContact O-CB 3.24Å; V132-C136 PolarHBondContact O-N 2.92Å; L133-C136 PolarHBondContact O-SG 2.85Å; C136-I139 PolarHBondContact O-N 2.83Å; C136-F140 VanDerWaalsContact O-CB 3.32Å; C136-F140 WeakPolarHBondContact O-CB 3.46Å; C136-F140 PolarHBondContact O-N 3.09Å; C136-F158 HydrophobicContact CB-CD1 3.54Å; C136-F158 HydrophobicContact CB-CE1 3.77Å; C136-I159 HydrophobicContact CB-CG1 4.11Å
137L96.3Very high94.1Very high9 Ų950 Ų505%0.04728%0.28CS..Hα-helixtrans-66.8-39.4176.7-68.1175.1000111.9N135 F140 K141 I159 V166 D171 F172 L175 I183N135-L137 PolarHBondContact O-N 2.7Å; L137-F140 PolarHBondContact O-N 3.15Å; L137-K141 WeakPolarHBondContact O-CG 3.35Å; L137-K141 PolarHBondContact O-N 3.12Å; L137-I159 HydrophobicContact CD2-CD1 3.78Å; L137-I159 HydrophobicContact CD2-CG1 4.21Å; L137-V166 HydrophobicContact CD1-CG1 4.02Å; L137-V166 HydrophobicContact CD2-CG1 3.93Å; L137-V166 HydrophobicContact CG-CG1 4.09Å; L137-D171 HydrophobicContact CD1-CB 3.81Å; L137-F172 HydrophobicContact CD1-CB 4.27Å; L137-L175 HydrophobicContact CD2-CD1 4.2Å; L137-L175 HydrophobicContact CD2-CD2 4.23Å; L137-I183 HydrophobicContact CD2-CD1 4.48Å
138A94.6Very high94.1Very high53 Ų5349.7 Ų49.744%0.43828%0.279SS..Hα-helixtrans-66.6-43.2176.200000111.4N135 F140 K141 L142N135-A138 PolarHBondContact O-N 3Å; N135-A138 VanDerWaalsContact O-N 3.16Å; A138-F140 VanDerWaalsContact C-N 3.34Å; A138-F140 PolarHBondContact O-N 3.01Å; A138-K141 PolarHBondContact O-N 3.33Å; A138-L142 WeakPolarHBondContact O-CB 3.26Å; A138-L142 PolarHBondContact O-N 2.95Å
139I95.8Very high94.1Very high9 Ų951.4 Ų51.45%0.04630%0.295CS..Hα-helixtrans-63.9-40175.6-65.5171.9000111L127 M131 N135 C136 L142 G143 L151 A155L127-I139 HydrophobicContact CD2-CD1 4.36Å; L127-I139 HydrophobicContact CD2-CG1 4.3Å; M131-I139 HydrophobicContact CB-CD1 4.41Å; M131-I139 HydrophobicContact CE-CG2 3.95Å; M131-I139 HydrophobicContact CG-CD1 4.28Å; N135-I139 HydrophobicContact CB-CD1 4.32Å; N135-I139 WeakPolarHBondContact O-CG1 3.5Å; N135-I139 PolarHBondContact O-N 3.38Å; N135-I139 WeakPolarHBondContact OD1-CD1 3.37Å; C136-I139 PolarHBondContact O-N 2.83Å; I139-L142 PolarHBondContact O-N 2.64Å; I139-G143 PolarHBondContact O-N 3.4Å; I139-L151 HydrophobicContact CG2-CD1 3.55Å; I139-L151 HydrophobicContact CG2-CD2 4.11Å; I139-L151 HydrophobicContact CG2-CG 3.82Å; I139-A155 HydrophobicContact CG2-CB 4.21Å
140F97.1Very high94.2Very high0 Ų052.5 Ų52.50%029%0.29CS..Hα-helixtrans-59.8-49.5174.1173.8-110.9000111.9C136 L137 A138 L142 G143 L144 T152 A155 R156 I159 E179 I182 I183C136-F140 VanDerWaalsContact O-CB 3.32Å; C136-F140 WeakPolarHBondContact O-CB 3.46Å; C136-F140 PolarHBondContact O-N 3.09Å; L137-F140 PolarHBondContact O-N 3.15Å; A138-F140 VanDerWaalsContact C-N 3.34Å; A138-F140 PolarHBondContact O-N 3.01Å; F140-L142 VanDerWaalsContact C-N 3.32Å; F140-L142 PolarHBondContact O-N 3.1Å; F140-G143 PolarHBondContact O-N 3.09Å; F140-L144 HydrophobicContact CD1-CD1 4.2Å; F140-L144 HydrophobicContact CE1-CD1 3.64Å; F140-L144 HydrophobicContact CE2-CD1 4.19Å; F140-L144 HydrophobicContact CE2-CG 4.42Å; F140-L144 HydrophobicContact CZ-CD1 3.64Å; F140-L144 HydrophobicContact CZ-CG 4.33Å; F140-L144 PolarHBondContact O-N 3.07Å; F140-T152 HydrophobicContact CD2-CG2 3.94Å; F140-T152 HydrophobicContact CE2-CG2 3.62Å; F140-A155 HydrophobicContact CB-CB 3.77Å; F140-A155 HydrophobicContact CD2-CB 4.39Å; F140-R156 HydrophobicContact CD2-CB 4.16Å; F140-R156 HydrophobicContact CE2-CB 3.94Å; F140-R156 HydrophobicContact CE2-CG 4.34Å; F140-I159 HydrophobicContact CB-CD1 3.71Å; F140-I159 HydrophobicContact CD1-CD1 4.35Å; F140-I159 HydrophobicContact CD2-CD1 4.44Å; F140-I159 HydrophobicContact CG-CD1 3.93Å; F140-E179 HydrophobicContact CE1-CB 4.19Å; F140-E179 HydrophobicContact CE1-CG 4.49Å; F140-I182 HydrophobicContact CE2-CG2 4.08Å; F140-I182 HydrophobicContact CZ-CB 4.14Å; F140-I182 HydrophobicContact CZ-CG2 3.75Å; F140-I183 HydrophobicContact CD1-CD1 4.3Å; F140-I183 HydrophobicContact CE1-CD1 3.89Å; F140-I183 HydrophobicContact CE1-CG1 4.08Å; F140-I183 HydrophobicContact CZ-CD1 4.38Å; F140-I183 HydrophobicContact CZ-CG1 4.06Å
141K95.8Very high94.3Very high54 Ų5447.2 Ų47.224%0.23527%0.267CS..Hα-helixtrans-60-41.4175.6-72.6177.6179.7-174.10112L137 A138 L144 L145 Q174 E179L137-K141 WeakPolarHBondContact O-CG 3.35Å; L137-K141 PolarHBondContact O-N 3.12Å; A138-K141 PolarHBondContact O-N 3.33Å; K141-L144 PolarHBondContact O-N 3.15Å; K141-L145 WeakPolarHBondContact O-CB 3.19Å; K141-L145 PolarHBondContact O-N 3.03Å; K141-Q174 PolarHBondContact NZ-O 3.44Å; K141-E179 VanDerWaalsContact CE-OE2 3.25Å; K141-E179 WeakPolarHBondContact CE-OE2 3.28Å
142L95.2Very high94.5Very high11 Ų1146.9 Ų46.96%0.05827%0.266CS..Hα-helixtrans-63.5-40.9176.5-177.661.1000111.8Q105 F108 M109 L127 A138 I139 F140 L144 L145 L146Q105-L142 HydrophobicContact CB-CD2 4.36Å; Q105-L142 HydrophobicContact CG-CD1 3.97Å; Q105-L142 HydrophobicContact CG-CD2 4Å; F108-L142 HydrophobicContact CD1-CD2 4.07Å; F108-L142 HydrophobicContact CD1-CG 4.34Å; M109-L142 HydrophobicContact CG-CD1 4.19Å; L127-L142 HydrophobicContact CD1-CD2 3.99Å; A138-L142 WeakPolarHBondContact O-CB 3.26Å; A138-L142 PolarHBondContact O-N 2.95Å; I139-L142 PolarHBondContact O-N 2.64Å; F140-L142 VanDerWaalsContact C-N 3.32Å; F140-L142 PolarHBondContact O-N 3.1Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 2.78Å; L142-L145 PolarHBondContact O-N 3.19Å; L142-L146 HydrophobicContact CD1-CD1 3.72Å; L142-L146 HydrophobicContact CD1-CG 4.1Å; L142-L146 HydrophobicContact CG-CD1 3.98Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 2.89Å
143G96Very high94.6Very high0 Ų046.6 Ų46.60%026%0.261CS..Hα-helixtrans-60.2-42.5174.300000112.6I139 F140 D147 C148 T152I139-G143 PolarHBondContact O-N 3.4Å; F140-G143 PolarHBondContact O-N 3.09Å; G143-D147 PolarHBondContact O-N 2.7Å; G143-C148 PolarHBondContact O-N 2.75Å; G143-T152 WeakPolarHBondContact CA-OG1 2.99Å; G143-T152 PolarHBondContact O-OG1 2.88Å
144L95.6Very high94.8Very high47 Ų4744 Ų4425%0.24625%0.253CS..Hα-helixtrans-66.3-45.1174.9-69.3173.2000112F140 K141 L142 L146 D147 T152 E179 I182F140-L144 HydrophobicContact CD1-CD1 4.2Å; F140-L144 HydrophobicContact CE1-CD1 3.64Å; F140-L144 HydrophobicContact CE2-CD1 4.19Å; F140-L144 HydrophobicContact CE2-CG 4.42Å; F140-L144 HydrophobicContact CZ-CD1 3.64Å; F140-L144 HydrophobicContact CZ-CG 4.33Å; F140-L144 PolarHBondContact O-N 3.07Å; K141-L144 PolarHBondContact O-N 3.15Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 2.78Å; L144-L146 PolarHBondContact O-N 2.87Å; L144-D147 PolarHBondContact O-N 2.88Å; L144-T152 HydrophobicContact CD2-CG2 3.52Å; L144-T152 HydrophobicContact CG-CG2 3.92Å; L144-T152 PolarHBondContact N-OG1 3.19Å; L144-E179 HydrophobicContact CD1-CG 3.73Å; L144-I182 HydrophobicContact CD1-CD1 4.25Å; L144-I182 HydrophobicContact CD2-CD1 3.92Å
145L94.1Very high95.1Very high116 Ų11641.1 Ų41.161%0.60722%0.223SC*.Hα-helixtrans-59.9-34.8179.5179.965.6000112.7M109 K141 L142M109-L145 HydrophobicContact CE-CD2 4.21Å; K141-L145 WeakPolarHBondContact O-CB 3.19Å; K141-L145 PolarHBondContact O-N 3.03Å; L142-L145 PolarHBondContact O-N 3.19Å
146L93.1Very high95.2Very high16 Ų1642.1 Ų42.18%0.08422%0.224CC..THydrogen-bonded Turntrans-95.14.9-178-63.2176.9000113.6F108 M109 N112 L142 L144 C148F108-L146 HydrophobicContact CD1-CD1 3.25Å; F108-L146 HydrophobicContact CE1-CD1 3.36Å; F108-L146 HydrophobicContact CG-CD1 4.06Å; F108-L146 HydrophobicContact CZ-CD1 4.26Å; M109-L146 HydrophobicContact CG-CD1 4.47Å; M109-L146 HydrophobicContact CG-CD2 4.14Å; N112-L146 HydrophobicContact CB-CD2 4.09Å; L142-L146 HydrophobicContact CD1-CD1 3.72Å; L142-L146 HydrophobicContact CD1-CG 4.1Å; L142-L146 HydrophobicContact CG-CD1 3.98Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 2.89Å; L144-L146 PolarHBondContact O-N 2.87Å; L146-C148 HydrophobicContact CB-CB 4.48Å; L146-C148 PolarHBondContact O-N 3.02Å
147D93.5Very high95.1Very high145 Ų14547.2 Ų47.278%0.77525%0.247SC*.THydrogen-bonded Turntrans4847.8-173.1-68.2-48.5000111.7G143 L144 P149G143-D147 PolarHBondContact O-N 2.7Å; L144-D147 PolarHBondContact O-N 2.88Å; D147-P149 VanDerWaalsContact O-CD 3.26Å; D147-P149 WeakPolarHBondContact O-CD 3.33Å
148C94.5Very high95Very high8 Ų848.3 Ų48.35%0.05425%0.252CS..  trans-107.291.2-178.6-173.60000111.1F120 L124 G143 L146 R150 L151 T152F120-C148 HydrophobicContact CZ-CB 4.26Å; L124-C148 VanDerWaalsContact CD1-SG 3.51Å; G143-C148 PolarHBondContact O-N 2.75Å; L146-C148 HydrophobicContact CB-CB 4.48Å; L146-C148 PolarHBondContact O-N 3.02Å; C148-R150 VanDerWaalsContact C-N 3.27Å; C148-R150 PolarHBondContact O-N 3.43Å; C148-L151 HydrophobicContact CB-CB 4.22Å; C148-L151 PolarHBondContact O-N 3.5Å; C148-L151 VanDerWaalsContact O-N 3.16Å; C148-T152 PolarHBondContact O-N 2.92Å; C148-T152 PolarHBondContact O-OG1 2.88Å; C148-T152 VanDerWaalsContact O-OG1 3.04Å
149P93.9Very high95.1Very high88 Ų8845.8 Ų45.857%0.57123%0.231SC*.Hα-helixtrans-61.3-35.2-172.9-23.834.5000113.1D147 L151 T152 L153D147-P149 VanDerWaalsContact O-CD 3.26Å; D147-P149 WeakPolarHBondContact O-CD 3.33Å; P149-L151 PolarHBondContact O-N 2.78Å; P149-T152 PolarHBondContact O-N 2.8Å; P149-L153 WeakPolarHBondContact O-CB 3.43Å; P149-L153 WeakPolarHBondContact O-CG 3.26Å; P149-L153 PolarHBondContact O-N 2.88Å
150R94.2Very high95Very high148 Ų14845.3 Ų45.356%0.55823%0.229SC*.Hα-helixtrans-64.2-40.8-179.7-176.4175.4175.9-165.3-4.8112.1L124 Q128 C148 G154L124-R150 HydrophobicContact CD1-CB 4.29Å; L124-R150 HydrophobicContact CD1-CG 4.43Å; L124-R150 HydrophobicContact CD2-CG 4.37Å; Q128-R150 PolarHBondContact NE2-O 3.05Å; C148-R150 VanDerWaalsContact C-N 3.27Å; C148-R150 PolarHBondContact O-N 3.43Å; R150-G154 PolarHBondContact O-N 2.84Å
151L95.4Very high94.7Very high1 Ų147.9 Ų47.91%0.00524%0.241CC..Hα-helixtrans-73.8-45.1177.1-172.163.1000110.6F108 L124 L127 Q128 I139 C148 P149 L153 G154 A155F108-L151 HydrophobicContact CE1-CD2 3.63Å; F108-L151 HydrophobicContact CZ-CD2 4.26Å; L124-L151 HydrophobicContact CD1-CB 4.34Å; L127-L151 HydrophobicContact CB-CD1 4.03Å; L127-L151 HydrophobicContact CD1-CD2 3.99Å; Q128-L151 HydrophobicContact CG-CD1 4.06Å; I139-L151 HydrophobicContact CG2-CD1 3.55Å; I139-L151 HydrophobicContact CG2-CD2 4.11Å; I139-L151 HydrophobicContact CG2-CG 3.82Å; C148-L151 HydrophobicContact CB-CB 4.22Å; C148-L151 PolarHBondContact O-N 3.5Å; C148-L151 VanDerWaalsContact O-N 3.16Å; P149-L151 PolarHBondContact O-N 2.78Å; L151-L153 PolarHBondContact O-N 3.34Å; L151-G154 PolarHBondContact O-N 3.34Å; L151-A155 VanDerWaalsContact O-CB 3.32Å; L151-A155 WeakPolarHBondContact O-CB 3.48Å; L151-A155 PolarHBondContact O-N 2.94Å
152T96.2Very high94.4Very high16 Ų1648.4 Ų48.410%0.09824%0.241CC..Hα-helixtrans-59.4-47.4178.4-56.90000112.4F140 G143 L144 C148 P149 A155 R156F140-T152 HydrophobicContact CD2-CG2 3.94Å; F140-T152 HydrophobicContact CE2-CG2 3.62Å; G143-T152 WeakPolarHBondContact CA-OG1 2.99Å; G143-T152 PolarHBondContact O-OG1 2.88Å; L144-T152 HydrophobicContact CD2-CG2 3.52Å; L144-T152 HydrophobicContact CG-CG2 3.92Å; L144-T152 PolarHBondContact N-OG1 3.19Å; C148-T152 PolarHBondContact O-N 2.92Å; C148-T152 PolarHBondContact O-OG1 2.88Å; C148-T152 VanDerWaalsContact O-OG1 3.04Å; P149-T152 PolarHBondContact O-N 2.8Å; T152-A155 PolarHBondContact O-N 2.84Å; T152-R156 VanDerWaalsContact O-CB 3.22Å; T152-R156 WeakPolarHBondContact O-CB 3.37Å; T152-R156 PolarHBondContact O-N 2.96Å
153L94.8Very high94.3Very high77 Ų7747.9 Ų47.940%0.40324%0.238SC..Hα-helixtrans-65.6-47179.7-71.8170.8000111.2P149 L151 A155 R156 E157P149-L153 WeakPolarHBondContact O-CB 3.43Å; P149-L153 WeakPolarHBondContact O-CG 3.26Å; P149-L153 PolarHBondContact O-N 2.88Å; L151-L153 PolarHBondContact O-N 3.34Å; L153-A155 VanDerWaalsContact C-N 3.33Å; L153-A155 PolarHBondContact O-N 2.77Å; L153-R156 PolarHBondContact O-N 3.01Å; L153-E157 WeakPolarHBondContact O-CB 3.43Å; L153-E157 WeakPolarHBondContact O-CG 3.36Å; L153-E157 PolarHBondContact O-N 2.76Å
154G94.7Very high93.9Very high22 Ų2250.5 Ų50.523%0.22725%0.251CS..Hα-helixtrans-60.6-42.1177.500000112.5R150 L151 F158R150-G154 PolarHBondContact O-N 2.84Å; L151-G154 PolarHBondContact O-N 3.34Å; G154-F158 WeakPolarHBondContact O-CB 3.49Å; G154-F158 PolarHBondContact O-N 2.83Å
155A96.9Very high93.6Very high0 Ų052.1 Ų52.10%026%0.263CS..Hα-helixtrans-67.8-40.7175.700000112.3M131 I139 F140 L151 T152 L153 F158 I159M131-A155 HydrophobicContact CE-CB 3.77Å; M131-A155 HydrophobicContact SD-CB 4.22Å; I139-A155 HydrophobicContact CG2-CB 4.21Å; F140-A155 HydrophobicContact CB-CB 3.77Å; F140-A155 HydrophobicContact CD2-CB 4.39Å; L151-A155 VanDerWaalsContact O-CB 3.32Å; L151-A155 WeakPolarHBondContact O-CB 3.48Å; L151-A155 PolarHBondContact O-N 2.94Å; T152-A155 PolarHBondContact O-N 2.84Å; L153-A155 VanDerWaalsContact C-N 3.33Å; L153-A155 PolarHBondContact O-N 2.77Å; A155-F158 PolarHBondContact O-N 3.18Å; A155-I159 WeakPolarHBondContact O-CB 3.3Å; A155-I159 VanDerWaalsContact O-CD1 3.32Å; A155-I159 WeakPolarHBondContact O-CD1 3.33Å; A155-I159 WeakPolarHBondContact O-CG1 3.39Å; A155-I159 PolarHBondContact O-N 3.34Å
156R96.4Very high93.5Very high64 Ų6446.9 Ų46.924%0.24224%0.235CC..Hα-helixtrans-62.4-45.4176-172-175.775.9175.20.8111.5F140 T152 L153 I159 C160 I182F140-R156 HydrophobicContact CD2-CB 4.16Å; F140-R156 HydrophobicContact CE2-CB 3.94Å; F140-R156 HydrophobicContact CE2-CG 4.34Å; T152-R156 VanDerWaalsContact O-CB 3.22Å; T152-R156 WeakPolarHBondContact O-CB 3.37Å; T152-R156 PolarHBondContact O-N 2.96Å; L153-R156 PolarHBondContact O-N 3.01Å; R156-I159 PolarHBondContact O-N 3.32Å; R156-C160 WeakPolarHBondContact O-CB 3.28Å; R156-C160 PolarHBondContact O-N 3.48Å; R156-C160 PolarHBondContact O-SG 3.19Å; R156-I182 WeakPolarHBondContact CD-O 3.35Å
157E94Very high93.4Very high107 Ų10747.5 Ų47.550%0.524%0.238SC..Hα-helixtrans-59.1-49.1176.4-76.1172-177.900110.4L153 I159 C160 E161L153-E157 WeakPolarHBondContact O-CB 3.43Å; L153-E157 WeakPolarHBondContact O-CG 3.36Å; L153-E157 PolarHBondContact O-N 2.76Å; E157-I159 VanDerWaalsContact C-N 3.29Å; E157-I159 PolarHBondContact O-N 3.16Å; E157-C160 PolarHBondContact O-N 3.3Å; E157-C160 VanDerWaalsContact O-N 3.14Å; E157-E161 WeakPolarHBondContact O-CG 3.31Å; E157-E161 PolarHBondContact O-N 2.86Å
158F94.3Very high93.3Very high32 Ų3249.6 Ų49.614%0.1424%0.235CC..Hα-helixtrans-56-42.6176.3-175.1-82.4000112.9M131 L133 C136 G154 A155 R162M131-F158 HydrophobicContact CG-CD1 4.15Å; M131-F158 HydrophobicContact CG-CD2 4.08Å; M131-F158 HydrophobicContact CG-CE1 4.38Å; M131-F158 HydrophobicContact CG-CE2 4.32Å; M131-F158 HydrophobicContact CG-CG 4Å; M131-F158 HydrophobicContact CG-CZ 4.47Å; M131-F158 HydrophobicContact SD-CB 3.4Å; M131-F158 WeakPolarHBondContact SD-CB 3.37Å; M131-F158 HydrophobicContact SD-CD1 4.03Å; M131-F158 HydrophobicContact SD-CD2 3.85Å; M131-F158 HydrophobicContact SD-CG 3.5Å; M131-F158 WeakPolarHBondContact SD-CG 2.94Å; L133-F158 HydrophobicContact CD2-CE1 4.3Å; C136-F158 HydrophobicContact CB-CD1 3.54Å; C136-F158 HydrophobicContact CB-CE1 3.77Å; G154-F158 WeakPolarHBondContact O-CB 3.49Å; G154-F158 PolarHBondContact O-N 2.83Å; A155-F158 PolarHBondContact O-N 3.18Å; F158-R162 PolarHBondContact O-N 2.85Å; F158-R162 PolarHBondContact O-NH1 2.84Å
159I95.8Very high93.2Very high0 Ų052.2 Ų52.20%025%0.248CC..Hα-helixtrans-64.9-49.4175.7-69.8158000110.7C136 L137 F140 A155 R156 E157 E161 R162 Y163 V166 I183C136-I159 HydrophobicContact CB-CG1 4.11Å; L137-I159 HydrophobicContact CD2-CD1 3.78Å; L137-I159 HydrophobicContact CD2-CG1 4.21Å; F140-I159 HydrophobicContact CB-CD1 3.71Å; F140-I159 HydrophobicContact CD1-CD1 4.35Å; F140-I159 HydrophobicContact CD2-CD1 4.44Å; F140-I159 HydrophobicContact CG-CD1 3.93Å; A155-I159 WeakPolarHBondContact O-CB 3.3Å; A155-I159 VanDerWaalsContact O-CD1 3.32Å; A155-I159 WeakPolarHBondContact O-CD1 3.33Å; A155-I159 WeakPolarHBondContact O-CG1 3.39Å; A155-I159 PolarHBondContact O-N 3.34Å; R156-I159 PolarHBondContact O-N 3.32Å; E157-I159 VanDerWaalsContact C-N 3.29Å; E157-I159 PolarHBondContact O-N 3.16Å; I159-E161 VanDerWaalsContact C-N 3.35Å; I159-E161 PolarHBondContact O-N 3.11Å; I159-R162 CarbonylContact O-C 3.56Å; I159-R162 PolarHBondContact O-N 2.93Å; I159-R162 VanDerWaalsContact O-N 3.15Å; I159-Y163 VanDerWaalsContact O-CA 3.27Å; I159-Y163 WeakPolarHBondContact O-CA 3.41Å; I159-Y163 PolarHBondContact O-N 2.7Å; I159-V166 HydrophobicContact CG2-CG1 4.06Å; I159-I183 HydrophobicContact CD1-CD1 4.46Å; I159-I183 HydrophobicContact CG2-CD1 4.23Å; I159-I183 HydrophobicContact CG2-CG2 4.01Å
160C94.4Very high93Very high0 Ų055.4 Ų55.40%026%0.256CS..Hα-helixtrans-60.4-42.6-178.7-76.60000111.9R156 E157 R162 Y163 A188 N190R156-C160 WeakPolarHBondContact O-CB 3.28Å; R156-C160 PolarHBondContact O-N 3.48Å; R156-C160 PolarHBondContact O-SG 3.19Å; E157-C160 PolarHBondContact O-N 3.3Å; E157-C160 VanDerWaalsContact O-N 3.14Å; C160-R162 PolarHBondContact O-N 3.47Å; C160-Y163 WeakPolarHBondContact O-CB 3.38Å; C160-Y163 PolarHBondContact O-N 2.67Å; C160-A188 HydrophobicContact CB-CB 4.21Å; C160-A188 WeakPolarHBondContact CB-O 3.28Å; C160-N190 WeakPolarHBondContact O-CB 3.34Å; C160-N190 PolarHBondContact O-N 2.85Å
161E89.6Confident93Very high53 Ų5351.3 Ų51.325%0.24825%0.245CC..Hα-helixtrans-60.9-33.2176.6-71.5-168.613500113E157 I159 N190 R609E157-E161 WeakPolarHBondContact O-CG 3.31Å; E157-E161 PolarHBondContact O-N 2.86Å; I159-E161 VanDerWaalsContact C-N 3.35Å; I159-E161 PolarHBondContact O-N 3.11Å; E161-N190 VanDerWaalsContact O-CB 3.31Å; E161-N190 WeakPolarHBondContact O-CB 3.43Å; E161-N190 PolarHBondContact O-ND2 2.75Å; E161-R609 IonicContact OE1-CZ 3.74Å; E161-R609 IonicContact OE1-NH1 3.75Å; E161-R609 PolarHBondContact OE1-NH1 2.9Å; E161-R609 IonicContact OE1-NH2 3.95Å; E161-R609 PolarHBondContact OE1-NH2 3.03Å
162R90.3Very high92.9Very high65 Ų6551.3 Ų51.325%0.24525%0.245CC..THydrogen-bonded Turntrans-112.321.6-173.8-62.4167.1-178.279.40.9112.3L133 F158 I159 C160 Q164 V165 V166L133-R162 HydrophobicContact CD2-CB 3.89Å; L133-R162 HydrophobicContact CD2-CG 4.41Å; F158-R162 PolarHBondContact O-N 2.85Å; F158-R162 PolarHBondContact O-NH1 2.84Å; I159-R162 CarbonylContact O-C 3.56Å; I159-R162 PolarHBondContact O-N 2.93Å; I159-R162 VanDerWaalsContact O-N 3.15Å; C160-R162 PolarHBondContact O-N 3.47Å; R162-Q164 VanDerWaalsContact C-N 3.28Å; R162-Q164 PolarHBondContact O-N 3.08Å; R162-Q164 VanDerWaalsContact O-N 3.17Å; R162-V165 PolarHBondContact O-N 3.4Å; R162-V166 HydrophobicContact CB-CG2 4.43Å; R162-V166 PolarHBondContact O-N 2.99Å; R162-V166 VanDerWaalsContact O-N 3.13Å
163Y92.9Very high92.8Very high0 Ų052.1 Ų52.10%025%0.247CC..Hα-helixtrans-56.1-39.8-167.9-175.2-101.8000113.4I159 C160 V165 V166 M167 F172 I183 L184 L189 V191 S200I159-Y163 VanDerWaalsContact O-CA 3.27Å; I159-Y163 WeakPolarHBondContact O-CA 3.41Å; I159-Y163 PolarHBondContact O-N 2.7Å; C160-Y163 WeakPolarHBondContact O-CB 3.38Å; C160-Y163 PolarHBondContact O-N 2.67Å; Y163-V165 PolarHBondContact O-N 3.44Å; Y163-V165 VanDerWaalsContact O-N 3.14Å; Y163-V166 PolarHBondContact O-N 3.45Å; Y163-V166 VanDerWaalsContact O-N 3.16Å; Y163-M167 HydrophobicContact CD1-SD 4.3Å; Y163-M167 HydrophobicContact CE1-CB 4.24Å; Y163-M167 HydrophobicContact CE1-SD 3.97Å; Y163-M167 WeakPolarHBondContact O-CG 3.48Å; Y163-M167 PolarHBondContact O-N 2.88Å; Y163-F172 AromaticContact CE2-CE2 3.93Å; Y163-F172 HydrophobicContact CE2-CE2 3.93Å; Y163-F172 HydrophobicContact CE2-CZ 4.26Å; Y163-I183 HydrophobicContact CD2-CG2 4.13Å; Y163-I183 HydrophobicContact CE2-CG2 3.97Å; Y163-L184 HydrophobicContact CE2-CD2 4.04Å; Y163-L184 WeakPolarHBondContact OH-CD2 3.41Å; Y163-L189 HydrophobicContact CD1-CD1 4.34Å; Y163-L189 HydrophobicContact CD1-CD2 3.9Å; Y163-L189 HydrophobicContact CD1-CG 4.05Å; Y163-L189 HydrophobicContact CD2-CD1 3.65Å; Y163-L189 HydrophobicContact CD2-CG 4.2Å; Y163-L189 HydrophobicContact CE1-CD2 3.95Å; Y163-L189 HydrophobicContact CE1-CG 4.48Å; Y163-L189 HydrophobicContact CE2-CD1 3.91Å; Y163-L189 HydrophobicContact CG-CD1 3.89Å; Y163-L189 HydrophobicContact CG-CD2 4.26Å; Y163-L189 HydrophobicContact CG-CG 3.9Å; Y163-V191 HydrophobicContact CD1-CG1 3.52Å; Y163-V191 HydrophobicContact CE1-CG1 4.01Å; Y163-S200 WeakPolarHBondContact OH-CB 3.22Å; Y163-S200 PolarHBondContact OH-OG 2.82Å
164Q87.4Confident92.7Very high55 Ų5553.9 Ų53.926%0.25725%0.253SS..Hα-helixtrans-58.2-29.3179.5-60.6-170.2300113.8R162 R168R162-Q164 VanDerWaalsContact C-N 3.28Å; R162-Q164 PolarHBondContact O-N 3.08Å; R162-Q164 VanDerWaalsContact O-N 3.17Å; Q164-R168 PolarHBondContact O-NE 3.05Å
165V88.4Confident92.7Very high82 Ų8253 Ų5350%0.49724%0.243SC..Hα-helixtrans-87.7-45176.2-176.20000110L133 R162 Y163 M167 R168L133-V165 HydrophobicContact CD1-CG1 3.98Å; L133-V165 HydrophobicContact CD2-CG1 4.46Å; R162-V165 PolarHBondContact O-N 3.4Å; Y163-V165 PolarHBondContact O-N 3.44Å; Y163-V165 VanDerWaalsContact O-N 3.14Å; V165-M167 VanDerWaalsContact C-N 3.33Å; V165-M167 PolarHBondContact O-N 3.32Å; V165-R168 PolarHBondContact O-N 2.92Å; V165-R168 VanDerWaalsContact O-N 3.16Å
166V92.9Very high92.6Very high5 Ų554.7 Ų54.73%0.0326%0.255CS..Hα-helixtrans-61.3-38.3-177.3177.40000112.3L133 L137 I159 R162 Y163 R168 D169 F172L133-V166 HydrophobicContact CD2-CG2 3.97Å; L137-V166 HydrophobicContact CD1-CG1 4.02Å; L137-V166 HydrophobicContact CD2-CG1 3.93Å; L137-V166 HydrophobicContact CG-CG1 4.09Å; I159-V166 HydrophobicContact CG2-CG1 4.06Å; R162-V166 HydrophobicContact CB-CG2 4.43Å; R162-V166 PolarHBondContact O-N 2.99Å; R162-V166 VanDerWaalsContact O-N 3.13Å; Y163-V166 PolarHBondContact O-N 3.45Å; Y163-V166 VanDerWaalsContact O-N 3.16Å; V166-R168 PolarHBondContact O-N 2.69Å; V166-R168 VanDerWaalsContact O-N 3.09Å; V166-D169 VanDerWaalsContact O-CB 3.3Å; V166-D169 WeakPolarHBondContact O-CB 3.38Å; V166-D169 PolarHBondContact O-N 2.93Å; V166-F172 HydrophobicContact CG1-CD2 4.24Å
167M92Very high92.5Very high29 Ų2953.7 Ų53.714%0.14326%0.257CS..THydrogen-bonded Turntrans-64.2-16.1-179.572.4-178-16900114Y163 V165Y163-M167 HydrophobicContact CD1-SD 4.3Å; Y163-M167 HydrophobicContact CE1-CB 4.24Å; Y163-M167 HydrophobicContact CE1-SD 3.97Å; Y163-M167 WeakPolarHBondContact O-CG 3.48Å; Y163-M167 PolarHBondContact O-N 2.88Å; V165-M167 VanDerWaalsContact C-N 3.33Å; V165-M167 PolarHBondContact O-N 3.32Å
168R89.9Confident92.5Very high190 Ų19052.3 Ų52.372%0.71726%0.259SS*.THydrogen-bonded Turntrans-91.1-10.4177.5-58.6178.2-176.9168.93.5112.7Q164 V165 V166Q164-R168 PolarHBondContact O-NE 3.05Å; V165-R168 PolarHBondContact O-N 2.92Å; V165-R168 VanDerWaalsContact O-N 3.16Å; V166-R168 PolarHBondContact O-N 2.69Å; V166-R168 VanDerWaalsContact O-N 3.09Å
169D92.3Very high92.5Very high62 Ų6252.6 Ų52.633%0.33226%0.261SS..SBendtrans-75.5147-178.8-161.3-69.6000111.2V166 D171 F172V166-D169 VanDerWaalsContact O-CB 3.3Å; V166-D169 WeakPolarHBondContact O-CB 3.38Å; V166-D169 PolarHBondContact O-N 2.93Å; D169-D171 VanDerWaalsContact C-N 3.29Å; D169-D171 PolarHBondContact O-N 3.48Å; D169-D171 WeakPolarHBondContact OD1-CB 3.46Å; D169-D171 PolarHBondContact OD1-N 3.04Å; D169-F172 WeakPolarHBondContact O-CB 3.47Å; D169-F172 PolarHBondContact O-N 3.24Å
170Q90.8Very high92.5Very high156 Ų15652.6 Ų52.673%0.72926%0.261SS*.G310 helixtrans-67.7-31178.2-67.7-170.5200112.6F172 F173Q170-F172 PolarHBondContact O-N 2.94Å; Q170-F173 PolarHBondContact O-N 2.88Å; Q170-F173 VanDerWaalsContact O-N 3.17Å
171D93.1Very high92.6Very high62 Ų6253.7 Ų53.733%0.33227%0.27SS..G310 helixtrans-68.9-22.5180-73.3-14.5000112.1L137 D169 F173 Q174L137-D171 HydrophobicContact CD1-CB 3.81Å; D169-D171 VanDerWaalsContact C-N 3.29Å; D169-D171 PolarHBondContact O-N 3.48Å; D169-D171 WeakPolarHBondContact OD1-CB 3.46Å; D169-D171 PolarHBondContact OD1-N 3.04Å; D171-F173 VanDerWaalsContact C-N 3.29Å; D171-F173 PolarHBondContact O-N 2.8Å; D171-Q174 WeakPolarHBondContact O-CB 3.17Å; D171-Q174 PolarHBondContact O-N 2.93Å; D171-Q174 VanDerWaalsContact O-N 3.09Å; D171-Q174 PolarHBondContact OD1-NE2 3.46Å
172F94.9Very high92.8Very high0 Ų053.8 Ų53.80%027%0.271CS..G310 helixtrans-60.5-40.8172.1-177-97.8000111.4L137 Y163 V166 D169 Q170 Q174 L175 L180 W204L137-F172 HydrophobicContact CD1-CB 4.27Å; Y163-F172 AromaticContact CE2-CE2 3.93Å; Y163-F172 HydrophobicContact CE2-CE2 3.93Å; Y163-F172 HydrophobicContact CE2-CZ 4.26Å; V166-F172 HydrophobicContact CG1-CD2 4.24Å; D169-F172 WeakPolarHBondContact O-CB 3.47Å; D169-F172 PolarHBondContact O-N 3.24Å; Q170-F172 PolarHBondContact O-N 2.94Å; F172-Q174 PolarHBondContact O-N 3.31Å; F172-L175 HydrophobicContact CD2-CD1 3.67Å; F172-L175 HydrophobicContact CE2-CD1 3.94Å; F172-L175 HydrophobicContact CG-CD1 4.26Å; F172-L175 WeakPolarHBondContact O-CB 3.17Å; F172-L175 WeakPolarHBondContact O-CD1 3.32Å; F172-L175 WeakPolarHBondContact O-CG 3.24Å; F172-L175 PolarHBondContact O-N 3.41Å; F172-L175 VanDerWaalsContact O-N 3.15Å; F172-L180 HydrophobicContact CE1-CD1 4.21Å; F172-L180 HydrophobicContact CE2-CD1 3.86Å; F172-L180 HydrophobicContact CZ-CD1 3.47Å; F172-L180 VanDerWaalsContact CZ-CD1 3.47Å; F172-W204 HydrophobicContact CE1-CB 4.41Å
173F93.4Very high93Very high33 Ų3350.7 Ų50.715%0.14526%0.26CS..G310 helixtrans-70.3-11.6177.6-56.8-61.5000113.4Q170 D171 E203 W204 H207 R212Q170-F173 PolarHBondContact O-N 2.88Å; Q170-F173 VanDerWaalsContact O-N 3.17Å; D171-F173 VanDerWaalsContact C-N 3.29Å; D171-F173 PolarHBondContact O-N 2.8Å; F173-E203 HydrophobicContact CE1-CB 4.12Å; F173-W204 HydrophobicContact CD1-CB 4.31Å; F173-H207 HydrophobicContact CB-CB 4.4Å; F173-H207 HydrophobicContact CD1-CB 4.46Å; F173-R212 PolarHBondContact O-NH1 3.38Å; F173-R212 PolarHBondContact O-NH2 3.16Å
174Q93.2Very high93.2Very high115 Ų11550.7 Ų50.754%0.53726%0.26SS..G310 helixtrans-91.40.6175.1-56.7174.428.200113.1K141 D171 F172K141-Q174 PolarHBondContact NZ-O 3.44Å; D171-Q174 WeakPolarHBondContact O-CB 3.17Å; D171-Q174 PolarHBondContact O-N 2.93Å; D171-Q174 VanDerWaalsContact O-N 3.09Å; D171-Q174 PolarHBondContact OD1-NE2 3.46Å; F172-Q174 PolarHBondContact O-N 3.31Å
175L94.8Very high93.4Very high2 Ų250.9 Ų50.91%0.0127%0.267CS..  trans-65.6145173.8-67.5167.3000110.7L137 F172 E179 L180 I183 W204L137-L175 HydrophobicContact CD2-CD1 4.2Å; L137-L175 HydrophobicContact CD2-CD2 4.23Å; F172-L175 HydrophobicContact CD2-CD1 3.67Å; F172-L175 HydrophobicContact CE2-CD1 3.94Å; F172-L175 HydrophobicContact CG-CD1 4.26Å; F172-L175 WeakPolarHBondContact O-CB 3.17Å; F172-L175 WeakPolarHBondContact O-CD1 3.32Å; F172-L175 WeakPolarHBondContact O-CG 3.24Å; F172-L175 PolarHBondContact O-N 3.41Å; F172-L175 VanDerWaalsContact O-N 3.15Å; L175-E179 WeakPolarHBondContact CA-OE2 3.26Å; L175-E179 HydrophobicContact CB-CB 4.3Å; L175-E179 HydrophobicContact CD2-CB 3.98Å; L175-L180 HydrophobicContact CB-CB 4.44Å; L175-L180 HydrophobicContact CD1-CD1 4.21Å; L175-I183 HydrophobicContact CD1-CD1 3.88Å; L175-W204 WeakPolarHBondContact O-CZ2 3.37Å; L175-W204 PolarHBondContact O-NE1 2.79Å
176S94.4Very high93.6Very high36 Ų3647.5 Ų47.525%0.25225%0.247SC..  trans-76.9163.5168.9750000111.2S178 E179 L180S176-S178 VanDerWaalsContact C-N 3.3Å; S176-S178 PolarHBondContact O-N 2.81Å; S176-S178 PolarHBondContact OG-OG 2.8Å; S176-E179 PolarHBondContact N-OE2 2.9Å; S176-E179 PolarHBondContact O-N 2.84Å; S176-E179 WeakPolarHBondContact OG-CG 3.29Å; S176-E179 PolarHBondContact OG-N 2.78Å; S176-E179 PolarHBondContact OG-OE1 2.86Å; S176-E179 PolarHBondContact OG-OE2 2.88Å; S176-L180 WeakPolarHBondContact O-CB 3.32Å; S176-L180 PolarHBondContact O-N 3.36Å
177P94.2Very high93.6Very high43 Ų4351.2 Ų51.228%0.27927%0.267SS..Hα-helixtrans-56.4-42.3179.6-20.628.3000113L180 A181 W204 E215 L219P177-L180 PolarHBondContact O-N 3.18Å; P177-A181 WeakPolarHBondContact O-CB 3.35Å; P177-A181 PolarHBondContact O-N 3.48Å; P177-W204 HydrophobicContact CB-CH2 4.31Å; P177-W204 HydrophobicContact CG-CH2 4.02Å; P177-E215 HydrophobicContact CB-CB 4.14Å; P177-E215 HydrophobicContact CB-CG 4.09Å; P177-E215 HydrophobicContact CG-CB 4.26Å; P177-E215 HydrophobicContact CG-CG 3.73Å; P177-L219 HydrophobicContact CB-CD1 4.46Å; P177-L219 WeakPolarHBondContact O-CD2 3.4Å
178S93.7Very high93.6Very high78 Ų7851.7 Ų51.755%0.54528%0.275SS..Hα-helixtrans-69.4-41.5179.753.30000112.4S176 L180 A181 I182S176-S178 VanDerWaalsContact C-N 3.3Å; S176-S178 PolarHBondContact O-N 2.81Å; S176-S178 PolarHBondContact OG-OG 2.8Å; S178-L180 VanDerWaalsContact C-N 3.33Å; S178-L180 PolarHBondContact O-N 3.02Å; S178-A181 PolarHBondContact O-N 3.2Å; S178-I182 VanDerWaalsContact O-CG1 3.31Å; S178-I182 WeakPolarHBondContact O-CG1 3.5Å; S178-I182 PolarHBondContact O-N 3.29Å; S178-I182 VanDerWaalsContact O-N 3.13Å
179E95.3Very high93.7Very high39 Ų3942.6 Ų42.618%0.18224%0.241CC..Hα-helixtrans-59.4-45.4174.3-73.3162.2-166.100111.4F140 K141 L144 L175 S176 I182 I183F140-E179 HydrophobicContact CE1-CB 4.19Å; F140-E179 HydrophobicContact CE1-CG 4.49Å; K141-E179 VanDerWaalsContact CE-OE2 3.25Å; K141-E179 WeakPolarHBondContact CE-OE2 3.28Å; L144-E179 HydrophobicContact CD1-CG 3.73Å; L175-E179 WeakPolarHBondContact CA-OE2 3.26Å; L175-E179 HydrophobicContact CB-CB 4.3Å; L175-E179 HydrophobicContact CD2-CB 3.98Å; S176-E179 PolarHBondContact N-OE2 2.9Å; S176-E179 PolarHBondContact O-N 2.84Å; S176-E179 WeakPolarHBondContact OG-CG 3.29Å; S176-E179 PolarHBondContact OG-N 2.78Å; S176-E179 PolarHBondContact OG-OE1 2.86Å; S176-E179 PolarHBondContact OG-OE2 2.88Å; E179-I182 PolarHBondContact O-N 2.84Å; E179-I183 PolarHBondContact O-N 3.17Å
180L95.7Very high93.7Very high0 Ų041 Ų410%023%0.232CC..Hα-helixtrans-64.9-44.6178.3-176.563.7000111.2F172 L175 S176 P177 S178 I182 I183 L184 L201 W204 L219F172-L180 HydrophobicContact CE1-CD1 4.21Å; F172-L180 HydrophobicContact CE2-CD1 3.86Å; F172-L180 HydrophobicContact CZ-CD1 3.47Å; F172-L180 VanDerWaalsContact CZ-CD1 3.47Å; L175-L180 HydrophobicContact CB-CB 4.44Å; L175-L180 HydrophobicContact CD1-CD1 4.21Å; S176-L180 WeakPolarHBondContact O-CB 3.32Å; S176-L180 PolarHBondContact O-N 3.36Å; P177-L180 PolarHBondContact O-N 3.18Å; S178-L180 VanDerWaalsContact C-N 3.33Å; S178-L180 PolarHBondContact O-N 3.02Å; L180-I182 VanDerWaalsContact C-N 3.28Å; L180-I182 PolarHBondContact O-N 3.02Å; L180-I183 PolarHBondContact O-N 3.16Å; L180-I183 VanDerWaalsContact O-N 3.08Å; L180-L184 HydrophobicContact CD1-CD1 3.92Å; L180-L184 HydrophobicContact CD1-CD2 4.09Å; L180-L184 HydrophobicContact CD1-CG 3.79Å; L180-L184 HydrophobicContact CD2-CD1 4.08Å; L180-L184 HydrophobicContact CG-CD1 3.71Å; L180-L184 HydrophobicContact CG-CG 3.9Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.36Å; L180-L201 HydrophobicContact CD2-CD1 3.98Å; L180-W204 HydrophobicContact CD2-CB 4.29Å; L180-W204 HydrophobicContact CD2-CD2 3.49Å; L180-W204 VanDerWaalsContact CD2-CD2 3.49Å; L180-W204 HydrophobicContact CD2-CE3 3.74Å; L180-W204 HydrophobicContact CD2-CG 3.72Å; L180-W204 HydrophobicContact CD2-CZ2 4.35Å; L180-W204 HydrophobicContact CD2-CZ3 4.26Å; L180-L219 HydrophobicContact CD2-CD1 4.38Å
181A94.8Very high93.8Very high23 Ų2333.5 Ų33.519%0.1920%0.198CC..Hα-helixtrans-57.6-39177.900000112.5P177 S178 I183 S185 L219P177-A181 WeakPolarHBondContact O-CB 3.35Å; P177-A181 PolarHBondContact O-N 3.48Å; S178-A181 PolarHBondContact O-N 3.2Å; A181-I183 VanDerWaalsContact C-N 3.28Å; A181-I183 PolarHBondContact O-N 3.18Å; A181-S185 WeakPolarHBondContact O-CB 3.33Å; A181-S185 PolarHBondContact O-N 2.95Å; A181-S185 PolarHBondContact O-OG 3.38Å; A181-L219 HydrophobicContact CB-CD2 3.83Å
182I94.3Very high93.6Very high54 Ų5433.3 Ų33.328%0.27719%0.194SC..Hα-helixtrans-62-36177.3-69164.7000111.9F140 L144 R156 S178 E179 L180 S185F140-I182 HydrophobicContact CE2-CG2 4.08Å; F140-I182 HydrophobicContact CZ-CB 4.14Å; F140-I182 HydrophobicContact CZ-CG2 3.75Å; L144-I182 HydrophobicContact CD1-CD1 4.25Å; L144-I182 HydrophobicContact CD2-CD1 3.92Å; R156-I182 WeakPolarHBondContact CD-O 3.35Å; S178-I182 VanDerWaalsContact O-CG1 3.31Å; S178-I182 WeakPolarHBondContact O-CG1 3.5Å; S178-I182 PolarHBondContact O-N 3.29Å; S178-I182 VanDerWaalsContact O-N 3.13Å; E179-I182 PolarHBondContact O-N 2.84Å; L180-I182 VanDerWaalsContact C-N 3.28Å; L180-I182 PolarHBondContact O-N 3.02Å; I182-S185 PolarHBondContact O-OG 3.12Å
183I95.9Very high93.5Very high0 Ų040.7 Ų40.70%022%0.222CC..Hα-helixtrans-77.1-55177.4-61.8166000109.7L137 F140 I159 Y163 L175 E179 L180 A181 S185 S186 L189L137-I183 HydrophobicContact CD2-CD1 4.48Å; F140-I183 HydrophobicContact CD1-CD1 4.3Å; F140-I183 HydrophobicContact CE1-CD1 3.89Å; F140-I183 HydrophobicContact CE1-CG1 4.08Å; F140-I183 HydrophobicContact CZ-CD1 4.38Å; F140-I183 HydrophobicContact CZ-CG1 4.06Å; I159-I183 HydrophobicContact CD1-CD1 4.46Å; I159-I183 HydrophobicContact CG2-CD1 4.23Å; I159-I183 HydrophobicContact CG2-CG2 4.01Å; Y163-I183 HydrophobicContact CD2-CG2 4.13Å; Y163-I183 HydrophobicContact CE2-CG2 3.97Å; L175-I183 HydrophobicContact CD1-CD1 3.88Å; E179-I183 PolarHBondContact O-N 3.17Å; L180-I183 PolarHBondContact O-N 3.16Å; L180-I183 VanDerWaalsContact O-N 3.08Å; A181-I183 VanDerWaalsContact C-N 3.28Å; A181-I183 PolarHBondContact O-N 3.18Å; I183-S185 VanDerWaalsContact C-N 3.28Å; I183-S185 PolarHBondContact O-N 3Å; I183-S186 VanDerWaalsContact O-CB 3.25Å; I183-S186 WeakPolarHBondContact O-CB 3.27Å; I183-S186 PolarHBondContact O-N 2.84Å; I183-S186 VanDerWaalsContact O-N 3.1Å; I183-L189 HydrophobicContact CG2-CD1 4.03Å; I183-L189 WeakPolarHBondContact O-CD1 3.21Å
184L95.2Very high93.5Very high0 Ų039.1 Ų39.10%022%0.215CC..Hα-helixtrans-66.9-24.2-173.4-61.7-170.4000113.7Y163 L180 S186 V197 L201 C222 R302Y163-L184 HydrophobicContact CE2-CD2 4.04Å; Y163-L184 WeakPolarHBondContact OH-CD2 3.41Å; L180-L184 HydrophobicContact CD1-CD1 3.92Å; L180-L184 HydrophobicContact CD1-CD2 4.09Å; L180-L184 HydrophobicContact CD1-CG 3.79Å; L180-L184 HydrophobicContact CD2-CD1 4.08Å; L180-L184 HydrophobicContact CG-CD1 3.71Å; L180-L184 HydrophobicContact CG-CG 3.9Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.36Å; L184-S186 VanDerWaalsContact C-N 3.3Å; L184-V197 HydrophobicContact CB-CG1 4.49Å; L184-V197 HydrophobicContact CD2-CG1 4.12Å; L184-L201 HydrophobicContact CD1-CB 4.27Å; L184-L201 HydrophobicContact CD1-CD1 4.23Å; L184-C222 HydrophobicContact CB-CB 3.68Å; L184-R302 PolarHBondContact O-NH1 3.32Å; L184-R302 PolarHBondContact O-NH2 2.96Å
185S92.9Very high93.6Very high60 Ų6034.5 Ų34.542%0.4219%0.194SC..THydrogen-bonded Turntrans-76.2-17176.356.80000113.4A181 I182 I183 R224A181-S185 WeakPolarHBondContact O-CB 3.33Å; A181-S185 PolarHBondContact O-N 2.95Å; A181-S185 PolarHBondContact O-OG 3.38Å; I182-S185 PolarHBondContact O-OG 3.12Å; I183-S185 VanDerWaalsContact C-N 3.28Å; I183-S185 PolarHBondContact O-N 3Å; S185-R224 PolarHBondContact O-NH2 3.28Å
186S93.2Very high93.5Very high11 Ų1136.4 Ų36.48%0.07720%0.203CC..  trans-67.4132.1-171.1-171.20000113.7I183 L184 A188 L189 R302I183-S186 VanDerWaalsContact O-CB 3.25Å; I183-S186 WeakPolarHBondContact O-CB 3.27Å; I183-S186 PolarHBondContact O-N 2.84Å; I183-S186 VanDerWaalsContact O-N 3.1Å; L184-S186 VanDerWaalsContact C-N 3.3Å; S186-A188 PolarHBondContact O-N 2.79Å; S186-A188 PolarHBondContact OG-N 3.11Å; S186-L189 PolarHBondContact O-N 3.29Å; S186-R302 PolarHBondContact O-NH1 3.44Å
187D91.8Very high93.6Very high83 Ų8334.7 Ų34.744%0.44419%0.191SC..THydrogen-bonded Turntrans-63.7-25.5168.9-68.9-41.1000112.4L189 R224 F303D187-L189 PolarHBondContact O-N 3.09Å; D187-R224 IonicContact OD1-CZ 3.11Å; D187-R224 IonicContact OD1-NH1 3.45Å; D187-R224 PolarHBondContact OD1-NH1 2.89Å; D187-R224 IonicContact OD1-NH2 3.91Å; D187-R224 PolarHBondContact OD1-NH2 2.9Å; D187-F303 WeakPolarHBondContact O-CB 3.3Å; D187-F303 PolarHBondContact O-N 2.83Å
188A91.6Very high93.6Very high38 Ų3832.9 Ų32.931%0.31418%0.178SC..THydrogen-bonded Turntrans-75.3-1.1-177.700000114.1C160 S186 N190C160-A188 HydrophobicContact CB-CB 4.21Å; C160-A188 WeakPolarHBondContact CB-O 3.28Å; S186-A188 PolarHBondContact O-N 2.79Å; S186-A188 PolarHBondContact OG-N 3.11Å; A188-N190 PolarHBondContact O-N 2.94Å
189L93.3Very high93.7Very high0 Ų033.3 Ų33.30%017%0.172CC..  trans-60.2123.2-178.3-151.893.9000110.5Y163 I183 S186 D187 V191 V197 F303 G304Y163-L189 HydrophobicContact CD1-CD1 4.34Å; Y163-L189 HydrophobicContact CD1-CD2 3.9Å; Y163-L189 HydrophobicContact CD1-CG 4.05Å; Y163-L189 HydrophobicContact CD2-CD1 3.65Å; Y163-L189 HydrophobicContact CD2-CG 4.2Å; Y163-L189 HydrophobicContact CE1-CD2 3.95Å; Y163-L189 HydrophobicContact CE1-CG 4.48Å; Y163-L189 HydrophobicContact CE2-CD1 3.91Å; Y163-L189 HydrophobicContact CG-CD1 3.89Å; Y163-L189 HydrophobicContact CG-CD2 4.26Å; Y163-L189 HydrophobicContact CG-CG 3.9Å; I183-L189 HydrophobicContact CG2-CD1 4.03Å; I183-L189 WeakPolarHBondContact O-CD1 3.21Å; S186-L189 PolarHBondContact O-N 3.29Å; D187-L189 PolarHBondContact O-N 3.09Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 HydrophobicContact CD2-CB 4.28Å; L189-V191 HydrophobicContact CD2-CG1 3.5Å; L189-V191 HydrophobicContact CD2-CG2 3.77Å; L189-V191 HydrophobicContact CG-CG1 4.17Å; L189-V191 PolarHBondContact O-N 3.07Å; L189-V197 HydrophobicContact CD2-CG2 3.53Å; L189-F303 PolarHBondContact O-N 3.25Å; L189-G304 PolarHBondContact O-N 3.08Å
190N91.6Very high93.7Very high27 Ų2731.7 Ų31.714%0.14417%0.165CC..  trans-85.475.9179.5-167.222.4000111.2C160 E161 A188 G304C160-N190 WeakPolarHBondContact O-CB 3.34Å; C160-N190 PolarHBondContact O-N 2.85Å; E161-N190 VanDerWaalsContact O-CB 3.31Å; E161-N190 WeakPolarHBondContact O-CB 3.43Å; E161-N190 PolarHBondContact O-ND2 2.75Å; A188-N190 PolarHBondContact O-N 2.94Å; N190-G304 VanDerWaalsContact OD1-CA 3.22Å; N190-G304 WeakPolarHBondContact OD1-CA 3.32Å
191V92.1Very high93.6Very high0 Ų031.7 Ų31.70%017%0.165CC..  trans-124.3135.9174.5-66.30000110.2Y163 L189 R193 Q196 V197 R302 G304 M305Y163-V191 HydrophobicContact CD1-CG1 3.52Å; Y163-V191 HydrophobicContact CE1-CG1 4.01Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 HydrophobicContact CD2-CB 4.28Å; L189-V191 HydrophobicContact CD2-CG1 3.5Å; L189-V191 HydrophobicContact CD2-CG2 3.77Å; L189-V191 HydrophobicContact CG-CG1 4.17Å; L189-V191 PolarHBondContact O-N 3.07Å; V191-R193 VanDerWaalsContact C-N 3.28Å; V191-Q196 HydrophobicContact CG1-CB 4.37Å; V191-V197 HydrophobicContact CG1-CG2 4.26Å; V191-V197 HydrophobicContact CG2-CG2 3.88Å; V191-R302 HydrophobicContact CG2-CB 3.79Å; V191-R302 HydrophobicContact CG2-CG 3.68Å; V191-G304 CarbonylContact O-C 3.55Å; V191-G304 VanDerWaalsContact O-CA 3.24Å; V191-G304 WeakPolarHBondContact O-CA 3.41Å; V191-M305 PolarHBondContact O-N 3.04Å; V191-M305 VanDerWaalsContact O-N 3.14Å
192E89.4Confident93.6Very high57 Ų5731.1 Ų31.127%0.26616%0.158SC..SBendtrans-74.4-26.5176.9-63.8-179.3-150.800110.8R604E192-R604 VanDerWaalsContact CD-NH1 3.27Å; E192-R604 IonicContact OE1-CZ 3.26Å; E192-R604 VanDerWaalsContact OE1-CZ 3.31Å; E192-R604 IonicContact OE1-NH1 3.6Å; E192-R604 PolarHBondContact OE1-NH1 2.7Å; E192-R604 VanDerWaalsContact OE1-NH1 3.11Å; E192-R604 IonicContact OE1-NH2 3.1Å; E192-R604 PolarHBondContact OE1-NH2 3.3Å; E192-R604 IonicContact OE2-CZ 2.83Å; E192-R604 IonicContact OE2-NH1 3.57Å; E192-R604 PolarHBondContact OE2-NH1 3.36Å; E192-R604 IonicContact OE2-NH2 2.64Å
193R92.4Very high93.5Very high155 Ų15533.9 Ų33.959%0.58517%0.17SC*.  trans-143.5137.9-170.8-70-168.9-169.1-179.22.6111.3V191 E195 Q196V191-R193 VanDerWaalsContact C-N 3.28Å; R193-E195 WeakPolarHBondContact CB-OE2 3.44Å; R193-E195 PolarHBondContact O-N 2.83Å; R193-Q196 HydrophobicContact CB-CG 4.38Å; R193-Q196 WeakPolarHBondContact O-CB 3.24Å; R193-Q196 PolarHBondContact O-N 3.4Å
194E94.3Very high93.5Very high0 Ų033.9 Ų33.90%017%0.17CC..Hα-helixtrans-70-21.8-179.5-166.868.8-167.500111.8Q196 V197 F198 V223 R224 L227 I228 R302 M305E194-Q196 PolarHBondContact O-N 3.42Å; E194-V197 WeakPolarHBondContact O-CB 3.41Å; E194-V197 PolarHBondContact O-N 3.43Å; E194-F198 PolarHBondContact O-N 3.24Å; E194-F198 VanDerWaalsContact O-N 3.12Å; E194-V223 HydrophobicContact CG-CG1 4.12Å; E194-R224 HydrophobicContact CG-CB 3.9Å; E194-R224 PolarHBondContact OE1-N 3.4Å; E194-L227 HydrophobicContact CB-CB 4.02Å; E194-I228 HydrophobicContact CB-CD1 4.49Å; E194-I228 HydrophobicContact CB-CG1 3.81Å; E194-I228 HydrophobicContact CG-CD1 4.35Å; E194-I228 HydrophobicContact CG-CG1 4.05Å; E194-R302 IonicContact OE1-CZ 2.62Å; E194-R302 IonicContact OE1-NE 3.08Å; E194-R302 PolarHBondContact OE1-NE 2.77Å; E194-R302 IonicContact OE1-NH2 2.74Å; E194-R302 PolarHBondContact OE1-NH2 2.96Å; E194-R302 VanDerWaalsContact OE2-CG 3.28Å; E194-R302 WeakPolarHBondContact OE2-CG 3.46Å; E194-R302 IonicContact OE2-CZ 3.91Å; E194-R302 IonicContact OE2-NE 2.79Å; E194-R302 PolarHBondContact OE2-NE 2.94Å; E194-R302 IonicContact OE2-NH2 2.84Å; E194-M305 HydrophobicContact CB-CE 3.76Å
195E94.6Very high93.4Very high18 Ų1833.9 Ų33.98%0.08417%0.17CC..Hα-helixtrans-52.5-37.6171-60.593.8120.800111.7R193 V197 F198 E199 I228 P229 Y232R193-E195 WeakPolarHBondContact CB-OE2 3.44Å; R193-E195 PolarHBondContact O-N 2.83Å; E195-V197 VanDerWaalsContact C-N 3.3Å; E195-V197 PolarHBondContact O-N 3.48Å; E195-F198 WeakPolarHBondContact O-CB 3.42Å; E195-F198 PolarHBondContact O-N 3.34Å; E195-E199 WeakPolarHBondContact O-CB 3.34Å; E195-E199 VanDerWaalsContact O-CG 3.25Å; E195-E199 WeakPolarHBondContact O-CG 3.49Å; E195-E199 PolarHBondContact O-N 2.94Å; E195-I228 HydrophobicContact CG-CG1 4.5Å; E195-I228 HydrophobicContact CG-CG2 4.16Å; E195-P229 VanDerWaalsContact CD-CD 3.49Å; E195-P229 WeakPolarHBondContact OE1-CD 3.43Å; E195-P229 WeakPolarHBondContact OE1-CG 3.47Å; E195-Y232 HydrophobicContact CB-CE1 4.18Å; E195-Y232 HydrophobicContact CB-CE2 4.32Å; E195-Y232 HydrophobicContact CG-CD1 3.79Å; E195-Y232 HydrophobicContact CG-CD2 4.06Å; E195-Y232 HydrophobicContact CG-CE1 3.88Å; E195-Y232 HydrophobicContact CG-CE2 4.11Å; E195-Y232 HydrophobicContact CG-CG 3.9Å
196Q93.9Very high93.3Very high43 Ų4338 Ų3820%0.20118%0.181CC..Hα-helixtrans-65.2-35.9178.3-59.7-180-76.100111.7V191 R193 E194 S200V191-Q196 HydrophobicContact CG1-CB 4.37Å; R193-Q196 HydrophobicContact CB-CG 4.38Å; R193-Q196 WeakPolarHBondContact O-CB 3.24Å; R193-Q196 PolarHBondContact O-N 3.4Å; E194-Q196 PolarHBondContact O-N 3.42Å; Q196-S200 VanDerWaalsContact O-CB 3.31Å; Q196-S200 WeakPolarHBondContact O-CB 3.42Å; Q196-S200 PolarHBondContact O-N 3.32Å; Q196-S200 PolarHBondContact O-OG 3.33Å; Q196-S200 VanDerWaalsContact O-OG 3.09Å
197V95.4Very high93.2Very high0 Ų043.6 Ų43.60%021%0.205CC..Hα-helixtrans-65.9-47.6175.6-171.90000109.4L184 L189 V191 E194 E195 S200 L201 V223L184-V197 HydrophobicContact CB-CG1 4.49Å; L184-V197 HydrophobicContact CD2-CG1 4.12Å; L189-V197 HydrophobicContact CD2-CG2 3.53Å; V191-V197 HydrophobicContact CG1-CG2 4.26Å; V191-V197 HydrophobicContact CG2-CG2 3.88Å; E194-V197 WeakPolarHBondContact O-CB 3.41Å; E194-V197 PolarHBondContact O-N 3.43Å; E195-V197 VanDerWaalsContact C-N 3.3Å; E195-V197 PolarHBondContact O-N 3.48Å; V197-S200 PolarHBondContact O-N 3.36Å; V197-S200 PolarHBondContact O-OG 3.02Å; V197-L201 WeakPolarHBondContact O-CB 3.2Å; V197-L201 PolarHBondContact O-N 3.2Å; V197-V223 HydrophobicContact CG1-CG2 4.26Å
198F94.9Very high93.1Very high4 Ų442.1 Ų42.12%0.01820%0.197CC..Hα-helixtrans-59-48.7176.2176.4-101000112.2E194 E195 L201 M202 V223 F225 I228 Y232 V237 I243E194-F198 PolarHBondContact O-N 3.24Å; E194-F198 VanDerWaalsContact O-N 3.12Å; E195-F198 WeakPolarHBondContact O-CB 3.42Å; E195-F198 PolarHBondContact O-N 3.34Å; F198-L201 PolarHBondContact O-N 2.85Å; F198-M202 HydrophobicContact CD1-CG 4.27Å; F198-M202 HydrophobicContact CD2-CE 4.05Å; F198-M202 HydrophobicContact CD2-CG 4.47Å; F198-M202 HydrophobicContact CE1-CG 3.82Å; F198-M202 HydrophobicContact CE2-CE 3.58Å; F198-M202 HydrophobicContact CE2-CG 4.05Å; F198-M202 HydrophobicContact CE2-SD 4.1Å; F198-M202 HydrophobicContact CZ-CE 4.09Å; F198-M202 HydrophobicContact CZ-CG 3.69Å; F198-M202 HydrophobicContact CZ-SD 3.98Å; F198-M202 WeakPolarHBondContact O-CG 3.4Å; F198-M202 PolarHBondContact O-N 2.85Å; F198-V223 HydrophobicContact CB-CG1 4.08Å; F198-F225 AromaticContact CD2-CE1 3.9Å; F198-F225 HydrophobicContact CD2-CE1 3.9Å; F198-F225 HydrophobicContact CD2-CZ 4.13Å; F198-F225 HydrophobicContact CE2-CE1 4.27Å; F198-F225 HydrophobicContact CE2-CZ 4.47Å; F198-I228 HydrophobicContact CB-CD1 4.31Å; F198-Y232 HydrophobicContact CD1-CE1 4.35Å; F198-V237 HydrophobicContact CD1-CG2 4.14Å; F198-V237 HydrophobicContact CD2-CG2 4.34Å; F198-V237 HydrophobicContact CE1-CG2 3.94Å; F198-V237 HydrophobicContact CE2-CB 4.4Å; F198-V237 HydrophobicContact CE2-CG1 3.88Å; F198-V237 HydrophobicContact CE2-CG2 4.14Å; F198-V237 HydrophobicContact CG-CG2 4.34Å; F198-V237 HydrophobicContact CZ-CB 4.18Å; F198-V237 HydrophobicContact CZ-CG1 4.08Å; F198-V237 HydrophobicContact CZ-CG2 3.94Å; F198-I243 HydrophobicContact CE2-CD1 3.77Å; F198-I243 HydrophobicContact CZ-CD1 3.97Å
199E94.6Very high92.9Very high88 Ų8844.1 Ų44.141%0.41120%0.2SC..Hα-helixtrans-60.5-47.6179.3-73.2170.617800111.3E195 L201 M202 E203 Y232E195-E199 WeakPolarHBondContact O-CB 3.34Å; E195-E199 VanDerWaalsContact O-CG 3.25Å; E195-E199 WeakPolarHBondContact O-CG 3.49Å; E195-E199 PolarHBondContact O-N 2.94Å; E199-L201 VanDerWaalsContact C-N 3.31Å; E199-L201 PolarHBondContact O-N 3.31Å; E199-M202 PolarHBondContact O-N 3.42Å; E199-M202 VanDerWaalsContact O-N 3.14Å; E199-E203 WeakPolarHBondContact O-CG 3.43Å; E199-E203 PolarHBondContact O-N 2.78Å; E199-Y232 WeakPolarHBondContact CG-OH 3.29Å; E199-Y232 PolarHBondContact OE1-OH 3.07Å
200S95Very high92.5Very high4 Ų449.6 Ų49.63%0.02823%0.234CC..Hα-helixtrans-61.1-37.3177.667.10000113Y163 Q196 V197 W204Y163-S200 WeakPolarHBondContact OH-CB 3.22Å; Y163-S200 PolarHBondContact OH-OG 2.82Å; Q196-S200 VanDerWaalsContact O-CB 3.31Å; Q196-S200 WeakPolarHBondContact O-CB 3.42Å; Q196-S200 PolarHBondContact O-N 3.32Å; Q196-S200 PolarHBondContact O-OG 3.33Å; Q196-S200 VanDerWaalsContact O-OG 3.09Å; V197-S200 PolarHBondContact O-N 3.36Å; V197-S200 PolarHBondContact O-OG 3.02Å; S200-W204 WeakPolarHBondContact O-CB 3.15Å; S200-W204 PolarHBondContact O-N 2.8Å
201L95.1Very high92.2Very high0 Ų054 Ų540%026%0.255CS..Hα-helixtrans-66-43.9173.9176.161.5000111.4L180 L184 V197 F198 E199 W204 I205 L219 L220 V223L180-L201 HydrophobicContact CD2-CD1 3.98Å; L184-L201 HydrophobicContact CD1-CB 4.27Å; L184-L201 HydrophobicContact CD1-CD1 4.23Å; V197-L201 WeakPolarHBondContact O-CB 3.2Å; V197-L201 PolarHBondContact O-N 3.2Å; F198-L201 PolarHBondContact O-N 2.85Å; E199-L201 VanDerWaalsContact C-N 3.31Å; E199-L201 PolarHBondContact O-N 3.31Å; L201-W204 HydrophobicContact CD1-CE3 4.45Å; L201-W204 PolarHBondContact O-N 2.88Å; L201-I205 HydrophobicContact CD1-CD1 4.25Å; L201-I205 HydrophobicContact CD1-CG1 4.46Å; L201-I205 HydrophobicContact CG-CD1 4.23Å; L201-I205 WeakPolarHBondContact O-CG1 3.26Å; L201-I205 PolarHBondContact O-N 2.97Å; L201-L219 HydrophobicContact CD1-CB 3.79Å; L201-L219 HydrophobicContact CD1-CD1 3.8Å; L201-L219 HydrophobicContact CD1-CG 4.35Å; L201-L219 HydrophobicContact CD2-CB 4.05Å; L201-L220 HydrophobicContact CD2-CD2 4.45Å; L201-V223 HydrophobicContact CD2-CG2 3.92Å
202M94.1Very high92.1Very high12 Ų1255.5 Ų55.56%0.05926%0.26CS..Hα-helixtrans-64.7-39.6178.1-67-56.3114.200111.9F198 E199 I205 K206 L216 L220 H240 Y242F198-M202 HydrophobicContact CD1-CG 4.27Å; F198-M202 HydrophobicContact CD2-CE 4.05Å; F198-M202 HydrophobicContact CD2-CG 4.47Å; F198-M202 HydrophobicContact CE1-CG 3.82Å; F198-M202 HydrophobicContact CE2-CE 3.58Å; F198-M202 HydrophobicContact CE2-CG 4.05Å; F198-M202 HydrophobicContact CE2-SD 4.1Å; F198-M202 HydrophobicContact CZ-CE 4.09Å; F198-M202 HydrophobicContact CZ-CG 3.69Å; F198-M202 HydrophobicContact CZ-SD 3.98Å; F198-M202 WeakPolarHBondContact O-CG 3.4Å; F198-M202 PolarHBondContact O-N 2.85Å; E199-M202 PolarHBondContact O-N 3.42Å; E199-M202 VanDerWaalsContact O-N 3.14Å; M202-I205 HydrophobicContact CE-CD1 4.23Å; M202-I205 PolarHBondContact O-N 3.43Å; M202-K206 WeakPolarHBondContact O-CB 3.41Å; M202-K206 PolarHBondContact O-N 3.17Å; M202-L216 HydrophobicContact CE-CD1 3.71Å; M202-L220 HydrophobicContact CE-CD2 4.34Å; M202-H240 VanDerWaalsContact SD-CE1 3.56Å; M202-Y242 HydrophobicContact SD-CD2 4.29Å
203E92.9Very high92Very high111 Ų11155.8 Ų55.852%0.51926%0.263SS..Hα-helixtrans-63.4-41.2174-72.8-173.9173.700111.8F173 E199 I205 K206 H207F173-E203 HydrophobicContact CE1-CB 4.12Å; E199-E203 WeakPolarHBondContact O-CG 3.43Å; E199-E203 PolarHBondContact O-N 2.78Å; E203-I205 PolarHBondContact O-N 2.87Å; E203-K206 WeakPolarHBondContact O-CB 3.15Å; E203-K206 PolarHBondContact O-N 3.44Å; E203-H207 PolarHBondContact O-N 3.33Å
204W95.1Very high91.8Very high1 Ų155.9 Ų55.90%0.00427%0.268CS..Hα-helixtrans-63.5-39.6175.5-178.698000112.8F172 F173 L175 P177 L180 S200 L201 H207 R212 L219F172-W204 HydrophobicContact CE1-CB 4.41Å; F173-W204 HydrophobicContact CD1-CB 4.31Å; L175-W204 WeakPolarHBondContact O-CZ2 3.37Å; L175-W204 PolarHBondContact O-NE1 2.79Å; P177-W204 HydrophobicContact CB-CH2 4.31Å; P177-W204 HydrophobicContact CG-CH2 4.02Å; L180-W204 HydrophobicContact CD2-CB 4.29Å; L180-W204 HydrophobicContact CD2-CD2 3.49Å; L180-W204 VanDerWaalsContact CD2-CD2 3.49Å; L180-W204 HydrophobicContact CD2-CE3 3.74Å; L180-W204 HydrophobicContact CD2-CG 3.72Å; L180-W204 HydrophobicContact CD2-CZ2 4.35Å; L180-W204 HydrophobicContact CD2-CZ3 4.26Å; S200-W204 WeakPolarHBondContact O-CB 3.15Å; S200-W204 PolarHBondContact O-N 2.8Å; L201-W204 HydrophobicContact CD1-CE3 4.45Å; L201-W204 PolarHBondContact O-N 2.88Å; W204-H207 PolarHBondContact O-N 3.35Å; W204-R212 VanDerWaalsContact CE2-CZ 3.49Å; W204-R212 HydrophobicContact CE3-CB 4.4Å; W204-R212 HydrophobicContact CE3-CG 4.33Å; W204-R212 HydrophobicContact CH2-CB 4.1Å; W204-R212 VanDerWaalsContact CH2-CD 3.47Å; W204-R212 HydrophobicContact CH2-CG 3.55Å; W204-R212 HydrophobicContact CZ2-CG 4.21Å; W204-R212 HydrophobicContact CZ3-CB 3.71Å; W204-R212 VanDerWaalsContact CZ3-CD 3.46Å; W204-R212 HydrophobicContact CZ3-CG 3.64Å; W204-R212 WeakPolarHBondContact O-CD 3.31Å; W204-R212 PolarHBondContact O-NH1 3.33Å; W204-L219 HydrophobicContact CE3-CD1 4.32Å; W204-L219 HydrophobicContact CH2-CD1 4.24Å; W204-L219 HydrophobicContact CZ3-CD1 3.66Å
205I92.8Very high91.5Very high0 Ų059.1 Ų59.10%028%0.283CS..Hα-helixtrans-66.4-42.5175.1-68.1170000111.1L201 M202 E203 H207 D208 E209 R212 L213 L216 Y242L201-I205 HydrophobicContact CD1-CD1 4.25Å; L201-I205 HydrophobicContact CD1-CG1 4.46Å; L201-I205 HydrophobicContact CG-CD1 4.23Å; L201-I205 WeakPolarHBondContact O-CG1 3.26Å; L201-I205 PolarHBondContact O-N 2.97Å; M202-I205 HydrophobicContact CE-CD1 4.23Å; M202-I205 PolarHBondContact O-N 3.43Å; E203-I205 PolarHBondContact O-N 2.87Å; I205-H207 PolarHBondContact O-N 2.85Å; I205-H207 VanDerWaalsContact O-N 3.13Å; I205-D208 CarbonylContact O-C 3.44Å; I205-D208 PolarHBondContact O-N 3.44Å; I205-D208 VanDerWaalsContact O-N 3.1Å; I205-E209 WeakPolarHBondContact O-CA 3.32Å; I205-E209 PolarHBondContact O-N 2.62Å; I205-E209 VanDerWaalsContact O-N 3.11Å; I205-R212 HydrophobicContact CG1-CB 4.41Å; I205-R212 HydrophobicContact CG2-CB 4.47Å; I205-L213 HydrophobicContact CG2-CD2 3.9Å; I205-L213 HydrophobicContact CG2-CG 4.22Å; I205-L216 HydrophobicContact CD1-CB 3.97Å; I205-L216 HydrophobicContact CD1-CD1 3.35Å; I205-L216 HydrophobicContact CD1-CD2 4.47Å; I205-L216 HydrophobicContact CD1-CG 4.09Å; I205-Y242 HydrophobicContact CG2-CD2 4.3Å; I205-Y242 HydrophobicContact CG2-CE2 4.28Å
206K91.7Very high91.2Very high147 Ų14758.4 Ų58.464%0.63928%0.28SS*.Hα-helixtrans-57.5-28.7-179.5-173.7-177.9176.8-173.90112.9M202 E203M202-K206 WeakPolarHBondContact O-CB 3.41Å; M202-K206 PolarHBondContact O-N 3.17Å; E203-K206 WeakPolarHBondContact O-CB 3.15Å; E203-K206 PolarHBondContact O-N 3.44Å
207H90.9Very high90.9Very high127 Ų12757.5 Ų57.559%0.58828%0.278SS*.Hα-helixtrans-69.9-28.5179.3-167.2-75.9000113.7F173 E203 W204 I205F173-H207 HydrophobicContact CB-CB 4.4Å; F173-H207 HydrophobicContact CD1-CB 4.46Å; E203-H207 PolarHBondContact O-N 3.33Å; W204-H207 PolarHBondContact O-N 3.35Å; I205-H207 PolarHBondContact O-N 2.85Å; I205-H207 VanDerWaalsContact O-N 3.13Å
208D89.1Confident90.6Very high52 Ų5264 Ų6428%0.27831%0.309SS..THydrogen-bonded Turntrans-146.273.8172.2178.72.4000109.7I205 T210 M211 R212I205-D208 CarbonylContact O-C 3.44Å; I205-D208 PolarHBondContact O-N 3.44Å; I205-D208 VanDerWaalsContact O-N 3.1Å; D208-T210 PolarHBondContact O-N 3.13Å; D208-T210 PolarHBondContact OD1-OG1 3.16Å; D208-T210 VanDerWaalsContact OD1-OG1 3.11Å; D208-M211 PolarHBondContact OD1-N 3.14Å; D208-M211 WeakPolarHBondContact OD2-CB 3.21Å; D208-R212 HydrophobicContact CB-CG 4.14Å; D208-R212 WeakPolarHBondContact O-CB 3.4Å; D208-R212 VanDerWaalsContact O-CG 3.26Å; D208-R212 WeakPolarHBondContact O-CG 3.14Å; D208-R212 PolarHBondContact O-N 2.77Å
209E86.9Confident90.4Very high80 Ų8064 Ų6437%0.37431%0.309SS..Hα-helixtrans-57.3-38.8-175.4-62.5-175.5167.500111.7I205 M211 L213 Y242I205-E209 WeakPolarHBondContact O-CA 3.32Å; I205-E209 PolarHBondContact O-N 2.62Å; I205-E209 VanDerWaalsContact O-N 3.11Å; E209-M211 PolarHBondContact O-N 3.23Å; E209-L213 HydrophobicContact CB-CD1 4.28Å; E209-L213 VanDerWaalsContact O-CB 3.24Å; E209-L213 WeakPolarHBondContact O-CB 2.93Å; E209-L213 VanDerWaalsContact O-CD1 3.25Å; E209-L213 WeakPolarHBondContact O-CD1 3.41Å; E209-L213 WeakPolarHBondContact O-CG 3.22Å; E209-L213 PolarHBondContact O-N 3.09Å; E209-Y242 PolarHBondContact OE1-OH 2.91Å
210T84.7Confident90.3Very high116 Ų11659.9 Ų59.971%0.71229%0.289SS*.Hα-helixtrans-68.1-39.7-170.7500000113.8D208D208-T210 PolarHBondContact O-N 3.13Å; D208-T210 PolarHBondContact OD1-OG1 3.16Å; D208-T210 VanDerWaalsContact OD1-OG1 3.11Å
211M86.1Confident90Very high120 Ų12062.5 Ų62.559%0.59130%0.301SS*.Hα-helixtrans-90.4-37.4-179.5-64.5-66.1-73.100111.5D208 E209D208-M211 PolarHBondContact OD1-N 3.14Å; D208-M211 WeakPolarHBondContact OD2-CB 3.21Å; E209-M211 PolarHBondContact O-N 3.23Å
212R89.7Confident89.9Confident30 Ų3063.2 Ų63.211%0.11331%0.306CS..Hα-helixtrans-83.8-21.8-169.7-61.4174.4178.1-174.8-1.3114.3F173 W204 I205 D208 K214 E215 L216F173-R212 PolarHBondContact O-NH1 3.38Å; F173-R212 PolarHBondContact O-NH2 3.16Å; W204-R212 VanDerWaalsContact CE2-CZ 3.49Å; W204-R212 HydrophobicContact CE3-CB 4.4Å; W204-R212 HydrophobicContact CE3-CG 4.33Å; W204-R212 HydrophobicContact CH2-CB 4.1Å; W204-R212 VanDerWaalsContact CH2-CD 3.47Å; W204-R212 HydrophobicContact CH2-CG 3.55Å; W204-R212 HydrophobicContact CZ2-CG 4.21Å; W204-R212 HydrophobicContact CZ3-CB 3.71Å; W204-R212 VanDerWaalsContact CZ3-CD 3.46Å; W204-R212 HydrophobicContact CZ3-CG 3.64Å; W204-R212 WeakPolarHBondContact O-CD 3.31Å; W204-R212 PolarHBondContact O-NH1 3.33Å; I205-R212 HydrophobicContact CG1-CB 4.41Å; I205-R212 HydrophobicContact CG2-CB 4.47Å; D208-R212 HydrophobicContact CB-CG 4.14Å; D208-R212 WeakPolarHBondContact O-CB 3.4Å; D208-R212 VanDerWaalsContact O-CG 3.26Å; D208-R212 WeakPolarHBondContact O-CG 3.14Å; D208-R212 PolarHBondContact O-N 2.77Å; R212-K214 PolarHBondContact O-N 2.91Å; R212-K214 VanDerWaalsContact O-N 3.12Å; R212-E215 PolarHBondContact O-N 3.34Å; R212-L216 PolarHBondContact O-N 2.55Å
213L86.9Confident89.9Confident63 Ų6362.7 Ų62.733%0.3330%0.303SS..THydrogen-bonded Turntrans-60.1-24.3177.8-81.6172.5000113.6I205 E209 E215 L216 Y242I205-L213 HydrophobicContact CG2-CD2 3.9Å; I205-L213 HydrophobicContact CG2-CG 4.22Å; E209-L213 HydrophobicContact CB-CD1 4.28Å; E209-L213 VanDerWaalsContact O-CB 3.24Å; E209-L213 WeakPolarHBondContact O-CB 2.93Å; E209-L213 VanDerWaalsContact O-CD1 3.25Å; E209-L213 WeakPolarHBondContact O-CD1 3.41Å; E209-L213 WeakPolarHBondContact O-CG 3.22Å; E209-L213 PolarHBondContact O-N 3.09Å; L213-E215 VanDerWaalsContact C-N 3.33Å; L213-L216 HydrophobicContact CD2-CD2 4.43Å; L213-Y242 HydrophobicContact CD1-CD1 4.46Å; L213-Y242 HydrophobicContact CD2-CD1 3.64Å; L213-Y242 HydrophobicContact CD2-CD2 4.37Å; L213-Y242 HydrophobicContact CD2-CE1 4.34Å; L213-Y242 HydrophobicContact CD2-CG 3.67Å
214K88.1Confident89.9Confident157 Ų15757.6 Ų57.668%0.68328%0.279SS*.THydrogen-bonded Turntrans-72.5-29.2176.4-64177.4-175.8171.20112.8R212 P217R212-K214 PolarHBondContact O-N 2.91Å; R212-K214 VanDerWaalsContact O-N 3.12Å; K214-P217 WeakPolarHBondContact O-CD 3.46Å
215E88.4Confident89.7Confident69 Ų6957.5 Ų57.532%0.32228%0.279SS..THydrogen-bonded Turntrans-88.3-13.4-176.8-50.1-59.7139.300112P177 R212 L213 P217 E218 L219P177-E215 HydrophobicContact CB-CB 4.14Å; P177-E215 HydrophobicContact CB-CG 4.09Å; P177-E215 HydrophobicContact CG-CB 4.26Å; P177-E215 HydrophobicContact CG-CG 3.73Å; R212-E215 PolarHBondContact O-N 3.34Å; L213-E215 VanDerWaalsContact C-N 3.33Å; E215-P217 VanDerWaalsContact C-CD 3.48Å; E215-E218 PolarHBondContact O-N 3.17Å; E215-L219 HydrophobicContact CB-CD1 4.27Å; E215-L219 PolarHBondContact O-N 3.15Å; E215-L219 VanDerWaalsContact O-N 3.12Å
216L89.6Confident89.6Confident2 Ų260.3 Ų60.31%0.0129%0.289CS..Hα-helixtrans-52.1-46.4-178.6171.463.5000113.7M202 I205 R212 L213 E218 L219 L220 I249M202-L216 HydrophobicContact CE-CD1 3.71Å; I205-L216 HydrophobicContact CD1-CB 3.97Å; I205-L216 HydrophobicContact CD1-CD1 3.35Å; I205-L216 HydrophobicContact CD1-CD2 4.47Å; I205-L216 HydrophobicContact CD1-CG 4.09Å; R212-L216 PolarHBondContact O-N 2.55Å; L213-L216 HydrophobicContact CD2-CD2 4.43Å; L216-E218 VanDerWaalsContact C-N 3.29Å; L216-E218 PolarHBondContact O-N 3.44Å; L216-L219 PolarHBondContact O-N 2.92Å; L216-L220 HydrophobicContact CD1-CD1 3.89Å; L216-L220 HydrophobicContact CD1-CD2 3.98Å; L216-L220 HydrophobicContact CD1-CG 3.68Å; L216-L220 HydrophobicContact CG-CD1 4.01Å; L216-L220 HydrophobicContact CG-CG 4.27Å; L216-L220 VanDerWaalsContact O-CG 3.25Å; L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 3.44Å; L216-I249 HydrophobicContact CD2-CD1 3.77Å; L216-I249 HydrophobicContact CG-CD1 3.85Å
217P87.9Confident89.6Confident24 Ų2455.7 Ų55.716%0.15627%0.272CS..Hα-helixtrans-57-40.9-179.9-24.434.7000113.1K214 E215 H221 I249K214-P217 WeakPolarHBondContact O-CD 3.46Å; E215-P217 VanDerWaalsContact C-CD 3.48Å; P217-H221 PolarHBondContact O-CD2 3.06Å; P217-H221 VanDerWaalsContact O-CD2 3.27Å; P217-I249 HydrophobicContact CB-CG1 4.29Å; P217-I249 HydrophobicContact CG-CD1 4.17Å; P217-I249 HydrophobicContact CG-CG1 4.19Å
218E88.1Confident89.7Confident138 Ų13849.8 Ų49.865%0.64524%0.244SC*.Hα-helixtrans-71-45.2179.3-172.7173.1175.200111.3E215 L216 L220 H221E215-E218 PolarHBondContact O-N 3.17Å; L216-E218 VanDerWaalsContact C-N 3.29Å; L216-E218 PolarHBondContact O-N 3.44Å; E218-L220 VanDerWaalsContact C-N 3.25Å; E218-L220 PolarHBondContact O-N 3.37Å; E218-H221 WeakPolarHBondContact O-CB 3.5Å; E218-H221 PolarHBondContact O-N 3.12Å; E218-H221 VanDerWaalsContact O-N 3.1Å
219L91.4Very high89.8Confident4 Ų450.5 Ų50.52%0.02125%0.252CS..Hα-helixtrans-67.1-23.7-179.5-67.9173.8000113.7P177 L180 A181 L201 W204 E215 L216 H221 C222P177-L219 HydrophobicContact CB-CD1 4.46Å; P177-L219 WeakPolarHBondContact O-CD2 3.4Å; L180-L219 HydrophobicContact CD2-CD1 4.38Å; A181-L219 HydrophobicContact CB-CD2 3.83Å; L201-L219 HydrophobicContact CD1-CB 3.79Å; L201-L219 HydrophobicContact CD1-CD1 3.8Å; L201-L219 HydrophobicContact CD1-CG 4.35Å; L201-L219 HydrophobicContact CD2-CB 4.05Å; W204-L219 HydrophobicContact CE3-CD1 4.32Å; W204-L219 HydrophobicContact CH2-CD1 4.24Å; W204-L219 HydrophobicContact CZ3-CD1 3.66Å; E215-L219 HydrophobicContact CB-CD1 4.27Å; E215-L219 PolarHBondContact O-N 3.15Å; E215-L219 VanDerWaalsContact O-N 3.12Å; L216-L219 PolarHBondContact O-N 2.92Å; L219-H221 PolarHBondContact O-N 3.3Å; L219-C222 VanDerWaalsContact O-CB 3.28Å; L219-C222 WeakPolarHBondContact O-CB 3.36Å; L219-C222 PolarHBondContact O-N 3.43Å
220L91.3Very high89.9Confident1 Ų149.9 Ų49.91%0.00525%0.25CS..Hα-helixtrans-63.8-27.3173.3-76169.5000112.4L201 M202 L216 E218 C222 V223 F225 I243 I249L201-L220 HydrophobicContact CD2-CD2 4.45Å; M202-L220 HydrophobicContact CE-CD2 4.34Å; L216-L220 HydrophobicContact CD1-CD1 3.89Å; L216-L220 HydrophobicContact CD1-CD2 3.98Å; L216-L220 HydrophobicContact CD1-CG 3.68Å; L216-L220 HydrophobicContact CG-CD1 4.01Å; L216-L220 HydrophobicContact CG-CG 4.27Å; L216-L220 VanDerWaalsContact O-CG 3.25Å; L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 3.44Å; E218-L220 VanDerWaalsContact C-N 3.25Å; E218-L220 PolarHBondContact O-N 3.37Å; L220-C222 PolarHBondContact O-N 3.04Å; L220-V223 PolarHBondContact O-N 3.3Å; L220-F225 HydrophobicContact CB-CE2 4.34Å; L220-F225 HydrophobicContact CD2-CE2 4.06Å; L220-F225 HydrophobicContact CD2-CZ 3.59Å; L220-I243 HydrophobicContact CD2-CD1 4.44Å; L220-I249 HydrophobicContact CD1-CB 4.25Å; L220-I249 HydrophobicContact CD1-CD1 3.64Å; L220-I249 HydrophobicContact CD1-CG1 3.78Å; L220-I249 HydrophobicContact CD1-CG2 3.47Å; L220-I249 VanDerWaalsContact CD1-CG2 3.47Å
221H90.3Very high90.2Very high59 Ų5949.8 Ų49.827%0.27325%0.245SC..THydrogen-bonded Turntrans-67.8-15.1173.6-72.3-85.2000113.1P217 E218 L219 V223 E252 G295P217-H221 PolarHBondContact O-CD2 3.06Å; P217-H221 VanDerWaalsContact O-CD2 3.27Å; E218-H221 WeakPolarHBondContact O-CB 3.5Å; E218-H221 PolarHBondContact O-N 3.12Å; E218-H221 VanDerWaalsContact O-N 3.1Å; L219-H221 PolarHBondContact O-N 3.3Å; H221-V223 VanDerWaalsContact C-N 3.3Å; H221-E252 IonicContact CD2-OE2 3.25Å; H221-E252 IonicContact CE1-OE1 3.17Å; H221-E252 PolarHBondContact CE1-OE1 3.45Å; H221-E252 VanDerWaalsContact CE1-OE1 3.25Å; H221-E252 IonicContact CE1-OE2 2.92Å; H221-E252 VanDerWaalsContact NE2-CD 3.32Å; H221-E252 IonicContact NE2-OE1 2.77Å; H221-E252 PolarHBondContact NE2-OE1 3.29Å; H221-E252 IonicContact NE2-OE2 3.98Å; H221-E252 PolarHBondContact NE2-OE2 3Å; H221-E252 VanDerWaalsContact NE2-OE2 3.08Å; H221-G295 PolarHBondContact ND1-N 3.43Å; H221-G295 CarbonylContact O-C 3.58Å; H221-G295 WeakPolarHBondContact O-CA 3.45Å
222C92.3Very high90.6Very high15 Ų1546.3 Ų46.310%0.10123%0.226CC..THydrogen-bonded Turntrans-78.7-14.4170.7-55.40000112.8L184 L219 L220 R302L184-C222 HydrophobicContact CB-CB 3.68Å; L219-C222 VanDerWaalsContact O-CB 3.28Å; L219-C222 WeakPolarHBondContact O-CB 3.36Å; L219-C222 PolarHBondContact O-N 3.43Å; L220-C222 PolarHBondContact O-N 3.04Å; C222-R302 PolarHBondContact O-NH2 3.29Å
223V93.6Very high90.6Very high0 Ų045 Ų450%022%0.221CC..SBendtrans-97.1126.8179.5-175.40000110.2E194 V197 F198 L201 L220 H221 F225 I228E194-V223 HydrophobicContact CG-CG1 4.12Å; V197-V223 HydrophobicContact CG1-CG2 4.26Å; F198-V223 HydrophobicContact CB-CG1 4.08Å; L201-V223 HydrophobicContact CD2-CG2 3.92Å; L220-V223 PolarHBondContact O-N 3.3Å; H221-V223 VanDerWaalsContact C-N 3.3Å; V223-F225 HydrophobicContact CB-CD2 4.38Å; V223-F225 HydrophobicContact CB-CE1 4.39Å; V223-F225 HydrophobicContact CB-CE2 3.81Å; V223-F225 HydrophobicContact CB-CZ 3.78Å; V223-F225 HydrophobicContact CG1-CD1 4.17Å; V223-F225 HydrophobicContact CG1-CD2 4.37Å; V223-F225 HydrophobicContact CG1-CE1 3.77Å; V223-F225 HydrophobicContact CG1-CE2 4.03Å; V223-F225 HydrophobicContact CG1-CG 4.42Å; V223-F225 HydrophobicContact CG1-CZ 3.68Å; V223-F225 WeakPolarHBondContact O-CD2 3.37Å; V223-F225 PolarHBondContact O-N 2.95Å; V223-F225 VanDerWaalsContact O-N 3.14Å; V223-I228 HydrophobicContact CG1-CD1 4.13Å
224R93.1Very high90.6Very high4 Ų447 Ų472%0.01523%0.227CC..  trans-89.272.2-175.2-55.8-179-171.6-174.9-1.5111.1S185 D187 E194 R226 L227 N298 N300 P301S185-R224 PolarHBondContact O-NH2 3.28Å; D187-R224 IonicContact OD1-CZ 3.11Å; D187-R224 IonicContact OD1-NH1 3.45Å; D187-R224 PolarHBondContact OD1-NH1 2.89Å; D187-R224 IonicContact OD1-NH2 3.91Å; D187-R224 PolarHBondContact OD1-NH2 2.9Å; E194-R224 HydrophobicContact CG-CB 3.9Å; E194-R224 PolarHBondContact OE1-N 3.4Å; R224-R226 PolarHBondContact O-N 3.32Å; R224-L227 HydrophobicContact CB-CD1 3.82Å; R224-L227 HydrophobicContact CB-CG 4.14Å; R224-L227 HydrophobicContact CG-CD1 4.49Å; R224-L227 WeakPolarHBondContact O-CB 3.44Å; R224-L227 PolarHBondContact O-N 2.96Å; R224-N298 WeakPolarHBondContact CB-O 3.21Å; R224-N298 HydrophobicContact CG-CB 4.1Å; R224-N300 VanDerWaalsContact CD-O 3.25Å; R224-N300 WeakPolarHBondContact CD-O 3.4Å; R224-N300 PolarHBondContact NH1-O 2.87Å; R224-P301 PolarHBondContact NH1-O 3.39Å
225F91.5Very high90.7Very high0 Ų046.1 Ų46.10%023%0.226CC..G310 helixtrans-57.7-22.3-172.1-67.8-76.1000115F198 L220 V223 L227 I228 F233 V237 L253 V256 H260 V296F198-F225 AromaticContact CD2-CE1 3.9Å; F198-F225 HydrophobicContact CD2-CE1 3.9Å; F198-F225 HydrophobicContact CD2-CZ 4.13Å; F198-F225 HydrophobicContact CE2-CE1 4.27Å; F198-F225 HydrophobicContact CE2-CZ 4.47Å; L220-F225 HydrophobicContact CB-CE2 4.34Å; L220-F225 HydrophobicContact CD2-CE2 4.06Å; L220-F225 HydrophobicContact CD2-CZ 3.59Å; V223-F225 HydrophobicContact CB-CD2 4.38Å; V223-F225 HydrophobicContact CB-CE1 4.39Å; V223-F225 HydrophobicContact CB-CE2 3.81Å; V223-F225 HydrophobicContact CB-CZ 3.78Å; V223-F225 HydrophobicContact CG1-CD1 4.17Å; V223-F225 HydrophobicContact CG1-CD2 4.37Å; V223-F225 HydrophobicContact CG1-CE1 3.77Å; V223-F225 HydrophobicContact CG1-CE2 4.03Å; V223-F225 HydrophobicContact CG1-CG 4.42Å; V223-F225 HydrophobicContact CG1-CZ 3.68Å; V223-F225 WeakPolarHBondContact O-CD2 3.37Å; V223-F225 PolarHBondContact O-N 2.95Å; V223-F225 VanDerWaalsContact O-N 3.14Å; F225-L227 PolarHBondContact O-N 3.39Å; F225-I228 HydrophobicContact CD1-CD1 3.75Å; F225-I228 HydrophobicContact CE1-CD1 4.1Å; F225-I228 PolarHBondContact O-N 3.38Å; F225-I228 VanDerWaalsContact O-N 3.14Å; F225-F233 HydrophobicContact CB-CD2 4.39Å; F225-F233 HydrophobicContact CB-CE2 4Å; F225-F233 AromaticContact CD1-CD2 3.85Å; F225-F233 HydrophobicContact CD1-CD2 3.85Å; F225-F233 AromaticContact CD1-CE2 3.61Å; F225-F233 HydrophobicContact CD1-CE2 3.61Å; F225-F233 HydrophobicContact CE1-CE2 4.41Å; F225-F233 HydrophobicContact CG-CD2 4.49Å; F225-F233 AromaticContact CG-CE2 3.97Å; F225-F233 HydrophobicContact CG-CE2 3.97Å; F225-V237 HydrophobicContact CD1-CG1 4.07Å; F225-V237 HydrophobicContact CE1-CG1 3.51Å; F225-V237 HydrophobicContact CE1-CG2 4.23Å; F225-V237 HydrophobicContact CZ-CG1 4.3Å; F225-L253 HydrophobicContact CD2-CD2 4.4Å; F225-L253 HydrophobicContact CE2-CD2 4.33Å; F225-L253 HydrophobicContact CZ-CD2 4.44Å; F225-V256 HydrophobicContact CB-CB 4.4Å; F225-V256 HydrophobicContact CB-CG1 3.58Å; F225-V256 HydrophobicContact CB-CG2 3.92Å; F225-V256 HydrophobicContact CD2-CG2 4.46Å; F225-V256 HydrophobicContact CG-CG2 4.45Å; F225-H260 PolarHBondContact O-CE1 3.44Å; F225-H260 VanDerWaalsContact O-CE1 3.26Å; F225-V296 HydrophobicContact CD2-CB 3.97Å; F225-V296 HydrophobicContact CD2-CG1 4.02Å; F225-V296 HydrophobicContact CE2-CG1 4.06Å; F225-V296 PolarHBondContact N-O 3.19Å
226R90.4Very high90.8Very high58 Ų5848.3 Ų48.322%0.21923%0.234CC..G310 helixtrans-66.1-14.4172.6-73.1-147.3-67.8172-5114.7R224 L297 N299R224-R226 PolarHBondContact O-N 3.32Å; R226-L297 HydrophobicContact CG-CD2 4.42Å; R226-L297 VanDerWaalsContact CZ-O 3.22Å; R226-L297 PolarHBondContact NE-O 3.19Å; R226-L297 PolarHBondContact NH2-O 3.36Å; R226-N299 HydrophobicContact CB-CB 4.11Å; R226-N299 PolarHBondContact NH2-ND2 2.93Å; R226-N299 PolarHBondContact NH2-OD1 3.44Å
227L91.4Very high90.7Very high51 Ų5148.2 Ų48.227%0.26723%0.233SC..G310 helixtrans-96.4-6.8175.5-58178.1000112.5E194 R224 F225 N300 M305E194-L227 HydrophobicContact CB-CB 4.02Å; R224-L227 HydrophobicContact CB-CD1 3.82Å; R224-L227 HydrophobicContact CB-CG 4.14Å; R224-L227 HydrophobicContact CG-CD1 4.49Å; R224-L227 WeakPolarHBondContact O-CB 3.44Å; R224-L227 PolarHBondContact O-N 2.96Å; F225-L227 PolarHBondContact O-N 3.39Å; L227-N300 VanDerWaalsContact CD1-O 3.31Å; L227-N300 WeakPolarHBondContact CD1-O 3.22Å; L227-M305 HydrophobicContact CB-CE 4.25Å; L227-M305 HydrophobicContact CD1-CE 3.83Å; L227-M305 HydrophobicContact CD1-SD 3.77Å
228I92.6Very high90.7Very high3 Ų350.2 Ų50.22%0.01524%0.241CC..SBendtrans-85.4131177.8-64.9-175000109.1E194 E195 F198 V223 F225 I230 Y232 F233 H260E194-I228 HydrophobicContact CB-CD1 4.49Å; E194-I228 HydrophobicContact CB-CG1 3.81Å; E194-I228 HydrophobicContact CG-CD1 4.35Å; E194-I228 HydrophobicContact CG-CG1 4.05Å; E195-I228 HydrophobicContact CG-CG1 4.5Å; E195-I228 HydrophobicContact CG-CG2 4.16Å; F198-I228 HydrophobicContact CB-CD1 4.31Å; V223-I228 HydrophobicContact CG1-CD1 4.13Å; F225-I228 HydrophobicContact CD1-CD1 3.75Å; F225-I228 HydrophobicContact CE1-CD1 4.1Å; F225-I228 PolarHBondContact O-N 3.38Å; F225-I228 VanDerWaalsContact O-N 3.14Å; I228-I230 PolarHBondContact O-N 3.33Å; I228-Y232 HydrophobicContact CG2-CD1 3.72Å; I228-Y232 HydrophobicContact CG2-CG 4.33Å; I228-F233 HydrophobicContact CG2-CB 4.13Å; I228-H260 PolarHBondContact O-NE2 2.92Å
229P92.3Very high90.6Very high66 Ų6646.8 Ų46.843%0.42923%0.232SC..  trans-55.5138174.8-2635000112.4E195 D231 Y232 F233E195-P229 VanDerWaalsContact CD-CD 3.49Å; E195-P229 WeakPolarHBondContact OE1-CD 3.43Å; E195-P229 WeakPolarHBondContact OE1-CG 3.47Å; P229-D231 PolarHBondContact O-N 3.44Å; P229-D231 VanDerWaalsContact O-N 3.15Å; P229-Y232 PolarHBondContact O-N 3.01Å; P229-Y232 VanDerWaalsContact O-N 3.08Å; P229-F233 PolarHBondContact O-N 3.49Å
230I89Confident90.5Very high68 Ų6848.8 Ų48.835%0.34924%0.241SC..Hα-helixtrans-60.1-31.7-173-164.5162.5000113.7I228 K234 H260I228-I230 PolarHBondContact O-N 3.33Å; I230-K234 HydrophobicContact CG1-CD 4.49Å; I230-K234 WeakPolarHBondContact O-CG 3.29Å; I230-K234 PolarHBondContact O-N 3.28Å; I230-K234 VanDerWaalsContact O-N 3.15Å; I230-H260 HydrophobicContact CD1-CB 4.31Å
231D91.3Very high90.3Very high113 Ų11354.6 Ų54.660%0.60427%0.268SS*.Hα-helixtrans-68.3-47.1178.1-62.1-28.7000110.3P229 F233 K234 E235P229-D231 PolarHBondContact O-N 3.44Å; P229-D231 VanDerWaalsContact O-N 3.15Å; D231-F233 PolarHBondContact O-N 2.96Å; D231-K234 PolarHBondContact O-N 2.91Å; D231-E235 WeakPolarHBondContact O-CB 3.45Å; D231-E235 WeakPolarHBondContact O-CG 3.46Å; D231-E235 PolarHBondContact O-N 3.23Å
232Y92.5Very high89.9Confident48 Ų4853.2 Ų53.219%0.18826%0.261CS..Hα-helixtrans-62.3-43.8175.1-172.3-78.6000111.3E195 F198 E199 I228 P229 K234 E235 K236 V237E195-Y232 HydrophobicContact CB-CE1 4.18Å; E195-Y232 HydrophobicContact CB-CE2 4.32Å; E195-Y232 HydrophobicContact CG-CD1 3.79Å; E195-Y232 HydrophobicContact CG-CD2 4.06Å; E195-Y232 HydrophobicContact CG-CE1 3.88Å; E195-Y232 HydrophobicContact CG-CE2 4.11Å; E195-Y232 HydrophobicContact CG-CG 3.9Å; F198-Y232 HydrophobicContact CD1-CE1 4.35Å; E199-Y232 WeakPolarHBondContact CG-OH 3.29Å; E199-Y232 PolarHBondContact OE1-OH 3.07Å; I228-Y232 HydrophobicContact CG2-CD1 3.72Å; I228-Y232 HydrophobicContact CG2-CG 4.33Å; P229-Y232 PolarHBondContact O-N 3.01Å; P229-Y232 VanDerWaalsContact O-N 3.08Å; Y232-K234 PolarHBondContact O-N 2.77Å; Y232-E235 PolarHBondContact O-N 3.17Å; Y232-K236 HydrophobicContact CD1-CB 3.94Å; Y232-K236 HydrophobicContact CD1-CG 4.36Å; Y232-K236 HydrophobicContact CD2-CB 4.48Å; Y232-K236 HydrophobicContact CD2-CG 4.03Å; Y232-K236 HydrophobicContact CE1-CB 3.6Å; Y232-K236 HydrophobicContact CE1-CG 4.15Å; Y232-K236 HydrophobicContact CE2-CB 4.23Å; Y232-K236 HydrophobicContact CE2-CG 3.84Å; Y232-K236 HydrophobicContact CG-CB 4.35Å; Y232-K236 HydrophobicContact CG-CG 4.28Å; Y232-K236 WeakPolarHBondContact O-CB 3.48Å; Y232-K236 PolarHBondContact O-N 3.17Å; Y232-V237 HydrophobicContact CD1-CG2 4.21Å; Y232-V237 HydrophobicContact CE1-CG2 4.14Å
233F89.9Confident89.5Confident1 Ų152.7 Ų52.70%0.00426%0.257CS..Iπ-helixtrans-55.6-48.8179.3-177-96.3000112F225 I228 P229 D231 V237 E238 L253 V256 T257F225-F233 HydrophobicContact CB-CD2 4.39Å; F225-F233 HydrophobicContact CB-CE2 4Å; F225-F233 AromaticContact CD1-CD2 3.85Å; F225-F233 HydrophobicContact CD1-CD2 3.85Å; F225-F233 AromaticContact CD1-CE2 3.61Å; F225-F233 HydrophobicContact CD1-CE2 3.61Å; F225-F233 HydrophobicContact CE1-CE2 4.41Å; F225-F233 HydrophobicContact CG-CD2 4.49Å; F225-F233 AromaticContact CG-CE2 3.97Å; F225-F233 HydrophobicContact CG-CE2 3.97Å; I228-F233 HydrophobicContact CG2-CB 4.13Å; P229-F233 PolarHBondContact O-N 3.49Å; D231-F233 PolarHBondContact O-N 2.96Å; F233-V237 HydrophobicContact CD2-CB 4.01Å; F233-V237 HydrophobicContact CD2-CG1 4.12Å; F233-V237 HydrophobicContact CD2-CG2 4.19Å; F233-V237 HydrophobicContact CE2-CB 4.35Å; F233-V237 HydrophobicContact CE2-CG1 3.99Å; F233-V237 HydrophobicContact CG-CB 4.49Å; F233-V237 WeakPolarHBondContact O-CA 3.37Å; F233-V237 VanDerWaalsContact O-CB 3.27Å; F233-V237 WeakPolarHBondContact O-CB 3.38Å; F233-V237 PolarHBondContact O-N 3.03Å; F233-V237 VanDerWaalsContact O-N 3.07Å; F233-E238 HydrophobicContact CD1-CG 4.02Å; F233-E238 HydrophobicContact CE1-CG 3.63Å; F233-E238 WeakPolarHBondContact CE1-OE1 3.44Å; F233-E238 HydrophobicContact CZ-CG 4.2Å; F233-E238 PolarHBondContact O-N 3.5Å; F233-L253 HydrophobicContact CE2-CD2 3.83Å; F233-L253 HydrophobicContact CZ-CB 4.02Å; F233-L253 HydrophobicContact CZ-CD2 3.77Å; F233-L253 HydrophobicContact CZ-CG 4.35Å; F233-V256 HydrophobicContact CD2-CG1 4.4Å; F233-V256 HydrophobicContact CE1-CG1 4.37Å; F233-V256 HydrophobicContact CE2-CB 4.34Å; F233-V256 HydrophobicContact CE2-CG1 3.69Å; F233-V256 HydrophobicContact CZ-CB 3.98Å; F233-V256 HydrophobicContact CZ-CG1 3.67Å; F233-T257 WeakPolarHBondContact CE1-OG1 3.34Å
234K88Confident88.9Confident105 Ų10560.7 Ų60.746%0.45729%0.287SS..Iπ-helixtrans-68.6-43.8178.7-70.6173.5-178.3168.90112.6I230 D231 Y232I230-K234 HydrophobicContact CG1-CD 4.49Å; I230-K234 WeakPolarHBondContact O-CG 3.29Å; I230-K234 PolarHBondContact O-N 3.28Å; I230-K234 VanDerWaalsContact O-N 3.15Å; D231-K234 PolarHBondContact O-N 2.91Å; Y232-K234 PolarHBondContact O-N 2.77Å
235E90.2Very high88.1Confident140 Ų14068.5 Ų68.565%0.65432%0.321SS*.Iπ-helixtrans-76.8-32.7-173-72.5-173.5179.300113.7D231 Y232 S239D231-E235 WeakPolarHBondContact O-CB 3.45Å; D231-E235 WeakPolarHBondContact O-CG 3.46Å; D231-E235 PolarHBondContact O-N 3.23Å; Y232-E235 PolarHBondContact O-N 3.17Å; E235-S239 WeakPolarHBondContact O-CB 3.35Å; E235-S239 PolarHBondContact O-OG 3.04Å
236K89.2Confident87.7Confident114 Ų11470.8 Ų70.850%0.49633%0.334SS..Iπ-helixtrans-118.7-37.3-169.7-61.9-68.1-174171.30113.9Y232 H240Y232-K236 HydrophobicContact CD1-CB 3.94Å; Y232-K236 HydrophobicContact CD1-CG 4.36Å; Y232-K236 HydrophobicContact CD2-CB 4.48Å; Y232-K236 HydrophobicContact CD2-CG 4.03Å; Y232-K236 HydrophobicContact CE1-CB 3.6Å; Y232-K236 HydrophobicContact CE1-CG 4.15Å; Y232-K236 HydrophobicContact CE2-CB 4.23Å; Y232-K236 HydrophobicContact CE2-CG 3.84Å; Y232-K236 HydrophobicContact CG-CB 4.35Å; Y232-K236 HydrophobicContact CG-CG 4.28Å; Y232-K236 WeakPolarHBondContact O-CB 3.48Å; Y232-K236 PolarHBondContact O-N 3.17Å; K236-H240 WeakPolarHBondContact O-CB 3.02Å
237V89.4Confident87.3Confident0 Ų075.6 Ų75.60%036%0.359CS..Iπ-helixtrans-84.1-59.2-177.1-178.60000110.7F198 F225 Y232 F233 S239 H240 I243 L253F198-V237 HydrophobicContact CD1-CG2 4.14Å; F198-V237 HydrophobicContact CD2-CG2 4.34Å; F198-V237 HydrophobicContact CE1-CG2 3.94Å; F198-V237 HydrophobicContact CE2-CB 4.4Å; F198-V237 HydrophobicContact CE2-CG1 3.88Å; F198-V237 HydrophobicContact CE2-CG2 4.14Å; F198-V237 HydrophobicContact CG-CG2 4.34Å; F198-V237 HydrophobicContact CZ-CB 4.18Å; F198-V237 HydrophobicContact CZ-CG1 4.08Å; F198-V237 HydrophobicContact CZ-CG2 3.94Å; F225-V237 HydrophobicContact CD1-CG1 4.07Å; F225-V237 HydrophobicContact CE1-CG1 3.51Å; F225-V237 HydrophobicContact CE1-CG2 4.23Å; F225-V237 HydrophobicContact CZ-CG1 4.3Å; Y232-V237 HydrophobicContact CD1-CG2 4.21Å; Y232-V237 HydrophobicContact CE1-CG2 4.14Å; F233-V237 HydrophobicContact CD2-CB 4.01Å; F233-V237 HydrophobicContact CD2-CG1 4.12Å; F233-V237 HydrophobicContact CD2-CG2 4.19Å; F233-V237 HydrophobicContact CE2-CB 4.35Å; F233-V237 HydrophobicContact CE2-CG1 3.99Å; F233-V237 HydrophobicContact CG-CB 4.49Å; F233-V237 WeakPolarHBondContact O-CA 3.37Å; F233-V237 VanDerWaalsContact O-CB 3.27Å; F233-V237 WeakPolarHBondContact O-CB 3.38Å; F233-V237 PolarHBondContact O-N 3.03Å; F233-V237 VanDerWaalsContact O-N 3.07Å; V237-S239 VanDerWaalsContact C-N 3.26Å; V237-S239 PolarHBondContact O-N 3.25Å; V237-H240 VanDerWaalsContact O-CB 3.27Å; V237-H240 WeakPolarHBondContact O-CB 3.23Å; V237-H240 PolarHBondContact O-N 3.21Å; V237-H240 VanDerWaalsContact O-N 3.15Å; V237-I243 HydrophobicContact CG1-CD1 4.1Å; V237-L253 HydrophobicContact CG1-CD1 4.39Å; V237-L253 HydrophobicContact CG1-CD2 4.37Å
238E86.7Confident86.8Confident67 Ų6779 Ų7931%0.31337%0.373SS..THydrogen-bonded Turntrans-64.7-32.1-178.3-68.8-172.4152.700112.8F233 H240 T257F233-E238 HydrophobicContact CD1-CG 4.02Å; F233-E238 HydrophobicContact CE1-CG 3.63Å; F233-E238 WeakPolarHBondContact CE1-OE1 3.44Å; F233-E238 HydrophobicContact CZ-CG 4.2Å; F233-E238 PolarHBondContact O-N 3.5Å; E238-H240 VanDerWaalsContact C-N 3.29Å; E238-T257 PolarHBondContact OE1-OG1 3.15Å
239S87.3Confident86.4Confident66 Ų6678.9 Ų78.946%0.46237%0.372SS..THydrogen-bonded Turntrans-79.7-11.4179.879.50000113.3E235 V237E235-S239 WeakPolarHBondContact O-CB 3.35Å; E235-S239 PolarHBondContact O-OG 3.04Å; V237-S239 VanDerWaalsContact C-N 3.26Å; V237-S239 PolarHBondContact O-N 3.25Å
240H89.3Confident86Confident46 Ų4681.4 Ų81.421%0.21338%0.377CS..  trans-61.5139.8-171.3-158-94.6000111.8M202 K236 V237 E238 Y242 I243 R244M202-H240 VanDerWaalsContact SD-CE1 3.56Å; K236-H240 WeakPolarHBondContact O-CB 3.02Å; V237-H240 VanDerWaalsContact O-CB 3.27Å; V237-H240 WeakPolarHBondContact O-CB 3.23Å; V237-H240 PolarHBondContact O-N 3.21Å; V237-H240 VanDerWaalsContact O-N 3.15Å; E238-H240 VanDerWaalsContact C-N 3.29Å; H240-Y242 VanDerWaalsContact C-N 3.27Å; H240-Y242 AromaticContact CE1-CD2 3.34Å; H240-Y242 WeakPolarHBondContact CE1-CD2 3.33Å; H240-Y242 AromaticContact CE1-CE2 3.65Å; H240-Y242 AromaticContact ND1-CD2 3.58Å; H240-Y242 PolarHBondContact O-N 2.65Å; H240-I243 HydrophobicContact CB-CB 4.21Å; H240-I243 HydrophobicContact CB-CD1 4.11Å; H240-I243 HydrophobicContact CB-CG1 4.29Å; H240-I243 PolarHBondContact O-N 2.84Å; H240-R244 WeakPolarHBondContact O-CB 3.27Å; H240-R244 PolarHBondContact O-N 3.45Å
241Q85.9Confident85.7Confident122 Ų12285.1 Ų85.157%0.5739%0.39SS*.THydrogen-bonded Turntrans-58.2-35.5-172.859.8179-4.100114.1
242Y82.8Confident85.3Confident30 Ų3081.7 Ų81.712%0.11837%0.371CS..THydrogen-bonded Turntrans-82.5-18.8-179.4-50.9-46.7000113.6M202 I205 E209 L213 H240M202-Y242 HydrophobicContact SD-CD2 4.29Å; I205-Y242 HydrophobicContact CG2-CD2 4.3Å; I205-Y242 HydrophobicContact CG2-CE2 4.28Å; E209-Y242 PolarHBondContact OE1-OH 2.91Å; L213-Y242 HydrophobicContact CD1-CD1 4.46Å; L213-Y242 HydrophobicContact CD2-CD1 3.64Å; L213-Y242 HydrophobicContact CD2-CD2 4.37Å; L213-Y242 HydrophobicContact CD2-CE1 4.34Å; L213-Y242 HydrophobicContact CD2-CG 3.67Å; H240-Y242 VanDerWaalsContact C-N 3.27Å; H240-Y242 AromaticContact CE1-CD2 3.34Å; H240-Y242 WeakPolarHBondContact CE1-CD2 3.33Å; H240-Y242 AromaticContact CE1-CE2 3.65Å; H240-Y242 AromaticContact ND1-CD2 3.58Å; H240-Y242 PolarHBondContact O-N 2.65Å
243I84Confident84.9Confident4 Ų479.8 Ų79.82%0.02136%0.364CS..THydrogen-bonded Turntrans-96.9-44-173.7-69.9177.6000110.5F198 L220 V237 H240 F245 N246 I249 L253F198-I243 HydrophobicContact CE2-CD1 3.77Å; F198-I243 HydrophobicContact CZ-CD1 3.97Å; L220-I243 HydrophobicContact CD2-CD1 4.44Å; V237-I243 HydrophobicContact CG1-CD1 4.1Å; H240-I243 HydrophobicContact CB-CB 4.21Å; H240-I243 HydrophobicContact CB-CD1 4.11Å; H240-I243 HydrophobicContact CB-CG1 4.29Å; H240-I243 PolarHBondContact O-N 2.84Å; I243-F245 PolarHBondContact O-N 3.1Å; I243-N246 PolarHBondContact O-N 3.47Å; I243-I249 HydrophobicContact CG1-CG2 4.45Å; I243-I249 HydrophobicContact CG2-CG2 3.86Å; I243-L253 HydrophobicContact CG2-CD1 3.32Å
244R79.5Confident84.6Confident169 Ų16983.2 Ų83.264%0.63838%0.382SS*.THydrogen-bonded Turntrans-52.9-33.5-171.3-178.5178.5176.7-1780.6114.7H240H240-R244 WeakPolarHBondContact O-CB 3.27Å; H240-R244 PolarHBondContact O-N 3.45Å
245F76.9Confident84.5Confident167 Ų16780.9 Ų80.973%0.73238%0.375SS*.THydrogen-bonded Turntrans-98-6.9-174.9-60-73.2000114I243I243-F245 PolarHBondContact O-N 3.1Å
246N83.3Confident84.2Confident48 Ų4874.2 Ų74.226%0.25734%0.343SS..  trans-91.2113.3179.8-171.1-33.1000110.8I243 E248 I249 K250I243-N246 PolarHBondContact O-N 3.47Å; N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 3.46Å; N246-E248 WeakPolarHBondContact OD1-CB 3.35Å; N246-E248 PolarHBondContact OD1-N 3.36Å; N246-I249 HydrophobicContact CB-CB 4.17Å; N246-I249 HydrophobicContact CB-CD1 3.85Å; N246-I249 HydrophobicContact CB-CG1 4.14Å; N246-I249 WeakPolarHBondContact ND2-CD1 3.49Å; N246-I249 PolarHBondContact OD1-N 2.93Å; N246-K250 WeakPolarHBondContact O-CB 3.41Å; N246-K250 PolarHBondContact O-N 3.14Å
247Q80.9Confident84Confident159 Ų15970.3 Ų70.374%0.74333%0.329SS*.Hα-helixtrans-69.4-26.7-177.6-68.5-171.8-7.600114K251Q247-K251 WeakPolarHBondContact O-CG 3.2Å; Q247-K251 PolarHBondContact O-N 2.78Å
248E82.4Confident83.8Confident122 Ų12274.5 Ų74.557%0.5735%0.349SS*.Hα-helixtrans-73.5-52.4179.2-177.5166.6-150.400110.3N246 K250 K251 E252N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 3.46Å; N246-E248 WeakPolarHBondContact OD1-CB 3.35Å; N246-E248 PolarHBondContact OD1-N 3.36Å; E248-K250 VanDerWaalsContact C-N 3.25Å; E248-K250 PolarHBondContact O-N 2.87Å; E248-K251 WeakPolarHBondContact O-CB 3.16Å; E248-K251 PolarHBondContact O-N 3.05Å; E248-K251 VanDerWaalsContact O-N 3.12Å; E248-E252 PolarHBondContact O-N 3.28Å
249I83.4Confident83.6Confident1 Ų171.8 Ų71.81%0.00534%0.337CS..Hα-helixtrans-57.4-42.4175.4-62.1172.9000110.4L216 P217 L220 I243 N246 K251 E252 L253L216-I249 HydrophobicContact CD2-CD1 3.77Å; L216-I249 HydrophobicContact CG-CD1 3.85Å; P217-I249 HydrophobicContact CB-CG1 4.29Å; P217-I249 HydrophobicContact CG-CD1 4.17Å; P217-I249 HydrophobicContact CG-CG1 4.19Å; L220-I249 HydrophobicContact CD1-CB 4.25Å; L220-I249 HydrophobicContact CD1-CD1 3.64Å; L220-I249 HydrophobicContact CD1-CG1 3.78Å; L220-I249 HydrophobicContact CD1-CG2 3.47Å; L220-I249 VanDerWaalsContact CD1-CG2 3.47Å; I243-I249 HydrophobicContact CG1-CG2 4.45Å; I243-I249 HydrophobicContact CG2-CG2 3.86Å; N246-I249 HydrophobicContact CB-CB 4.17Å; N246-I249 HydrophobicContact CB-CD1 3.85Å; N246-I249 HydrophobicContact CB-CG1 4.14Å; N246-I249 WeakPolarHBondContact ND2-CD1 3.49Å; N246-I249 PolarHBondContact OD1-N 2.93Å; I249-K251 VanDerWaalsContact C-N 3.3Å; I249-K251 PolarHBondContact O-N 2.76Å; I249-E252 WeakPolarHBondContact O-CB 3.45Å; I249-E252 PolarHBondContact O-N 3.45Å; I249-L253 HydrophobicContact CG2-CD1 3.92Å; I249-L253 HydrophobicContact CG2-CG 4.05Å; I249-L253 WeakPolarHBondContact O-CG 3.43Å; I249-L253 PolarHBondContact O-N 3.46Å
250K83.3Confident83.3Confident120 Ų12071.6 Ų71.652%0.52233%0.329SS..Hα-helixtrans-58.3-40.4179.4-172174.6-179.1178.30112.9N246 E248 E252 L253 D254N246-K250 WeakPolarHBondContact O-CB 3.41Å; N246-K250 PolarHBondContact O-N 3.14Å; E248-K250 VanDerWaalsContact C-N 3.25Å; E248-K250 PolarHBondContact O-N 2.87Å; K250-E252 VanDerWaalsContact C-N 3.29Å; K250-E252 PolarHBondContact O-N 2.83Å; K250-L253 PolarHBondContact O-N 2.98Å; K250-D254 PolarHBondContact O-N 3.26Å
251K83.7Confident83Confident145 Ų14575.4 Ų75.463%0.6335%0.347SS*.Hα-helixtrans-63.1-37.2176.2-71.8172-177.1175.10111.8Q247 E248 I249 L255Q247-K251 WeakPolarHBondContact O-CG 3.2Å; Q247-K251 PolarHBondContact O-N 2.78Å; E248-K251 WeakPolarHBondContact O-CB 3.16Å; E248-K251 PolarHBondContact O-N 3.05Å; E248-K251 VanDerWaalsContact O-N 3.12Å; I249-K251 VanDerWaalsContact C-N 3.3Å; I249-K251 PolarHBondContact O-N 2.76Å; K251-L255 WeakPolarHBondContact O-CG 3.48Å; K251-L255 PolarHBondContact O-N 2.6Å
252E83.4Confident82.7Confident42 Ų4272.8 Ų72.820%0.19635%0.353CS..Hα-helixtrans-70.6-39.1176.8-62.8-169.1151.600112H221 E248 I249 K250 L255 V256H221-E252 IonicContact CD2-OE2 3.25Å; H221-E252 IonicContact CE1-OE1 3.17Å; H221-E252 PolarHBondContact CE1-OE1 3.45Å; H221-E252 VanDerWaalsContact CE1-OE1 3.25Å; H221-E252 IonicContact CE1-OE2 2.92Å; H221-E252 VanDerWaalsContact NE2-CD 3.32Å; H221-E252 IonicContact NE2-OE1 2.77Å; H221-E252 PolarHBondContact NE2-OE1 3.29Å; H221-E252 IonicContact NE2-OE2 3.98Å; H221-E252 PolarHBondContact NE2-OE2 3Å; H221-E252 VanDerWaalsContact NE2-OE2 3.08Å; E248-E252 PolarHBondContact O-N 3.28Å; I249-E252 WeakPolarHBondContact O-CB 3.45Å; I249-E252 PolarHBondContact O-N 3.45Å; K250-E252 VanDerWaalsContact C-N 3.29Å; K250-E252 PolarHBondContact O-N 2.83Å; E252-L255 WeakPolarHBondContact O-CB 3.36Å; E252-L255 PolarHBondContact O-N 3.17Å; E252-V256 PolarHBondContact O-N 3.38Å; E252-V256 VanDerWaalsContact O-N 3.13Å
253L83.9Confident82.6Confident7 Ų779.2 Ų79.24%0.03738%0.377CS..Hα-helixtrans-68.7-33.4174.7-63.7-177.8000112.6F225 F233 V237 I243 I249 K250 L255 V256 T257F225-L253 HydrophobicContact CD2-CD2 4.4Å; F225-L253 HydrophobicContact CE2-CD2 4.33Å; F225-L253 HydrophobicContact CZ-CD2 4.44Å; F233-L253 HydrophobicContact CE2-CD2 3.83Å; F233-L253 HydrophobicContact CZ-CB 4.02Å; F233-L253 HydrophobicContact CZ-CD2 3.77Å; F233-L253 HydrophobicContact CZ-CG 4.35Å; V237-L253 HydrophobicContact CG1-CD1 4.39Å; V237-L253 HydrophobicContact CG1-CD2 4.37Å; I243-L253 HydrophobicContact CG2-CD1 3.32Å; I249-L253 HydrophobicContact CG2-CD1 3.92Å; I249-L253 HydrophobicContact CG2-CG 4.05Å; I249-L253 WeakPolarHBondContact O-CG 3.43Å; I249-L253 PolarHBondContact O-N 3.46Å; K250-L253 PolarHBondContact O-N 2.98Å; L253-L255 VanDerWaalsContact C-N 3.27Å; L253-L255 PolarHBondContact O-N 2.99Å; L253-V256 WeakPolarHBondContact O-CB 3.38Å; L253-V256 PolarHBondContact O-N 3.41Å; L253-V256 VanDerWaalsContact O-N 3.11Å; L253-T257 PolarHBondContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.45Å
254D83.8Confident82.3Confident74 Ų7483.2 Ų83.240%0.39640%0.398SS..Hα-helixtrans-60.3-39.4171.6-70.4-28000110.5K250 V256 T257 E258K250-D254 PolarHBondContact O-N 3.26Å; D254-V256 PolarHBondContact O-N 3.43Å; D254-T257 PolarHBondContact O-N 2.58Å; D254-E258 WeakPolarHBondContact O-CG 3.33Å; D254-E258 PolarHBondContact O-N 2.79Å
255L84.9Confident82.1Confident56 Ų5677 Ų7729%0.29338%0.379SS..Hα-helixtrans-63.9-38.6173.3-65.5171.3000112.2K251 E252 L253 T257 E258 A259 P265K251-L255 WeakPolarHBondContact O-CG 3.48Å; K251-L255 PolarHBondContact O-N 2.6Å; E252-L255 WeakPolarHBondContact O-CB 3.36Å; E252-L255 PolarHBondContact O-N 3.17Å; L253-L255 VanDerWaalsContact C-N 3.27Å; L253-L255 PolarHBondContact O-N 2.99Å; L255-T257 VanDerWaalsContact C-N 3.34Å; L255-E258 PolarHBondContact O-N 3.16Å; L255-A259 VanDerWaalsContact O-CB 3.28Å; L255-A259 WeakPolarHBondContact O-CB 3.45Å; L255-A259 PolarHBondContact O-N 3.42Å; L255-P265 HydrophobicContact CD2-CB 4.47Å
256V84.6Confident81.7Confident0 Ų078.3 Ų78.30%039%0.385CS..Hα-helixtrans-62.6-43.6174.3172.40000110.4F225 F233 E252 L253 D254 A259 H260 V296 L297F225-V256 HydrophobicContact CB-CB 4.4Å; F225-V256 HydrophobicContact CB-CG1 3.58Å; F225-V256 HydrophobicContact CB-CG2 3.92Å; F225-V256 HydrophobicContact CD2-CG2 4.46Å; F225-V256 HydrophobicContact CG-CG2 4.45Å; F233-V256 HydrophobicContact CD2-CG1 4.4Å; F233-V256 HydrophobicContact CE1-CG1 4.37Å; F233-V256 HydrophobicContact CE2-CB 4.34Å; F233-V256 HydrophobicContact CE2-CG1 3.69Å; F233-V256 HydrophobicContact CZ-CB 3.98Å; F233-V256 HydrophobicContact CZ-CG1 3.67Å; E252-V256 PolarHBondContact O-N 3.38Å; E252-V256 VanDerWaalsContact O-N 3.13Å; L253-V256 WeakPolarHBondContact O-CB 3.38Å; L253-V256 PolarHBondContact O-N 3.41Å; L253-V256 VanDerWaalsContact O-N 3.11Å; D254-V256 PolarHBondContact O-N 3.43Å; V256-A259 PolarHBondContact O-N 3Å; V256-H260 VanDerWaalsContact CG1-CE1 3.48Å; V256-H260 WeakPolarHBondContact CG1-CE1 3.25Å; V256-H260 WeakPolarHBondContact CG1-ND1 3.49Å; V256-H260 PolarHBondContact O-N 3.4Å; V256-H260 PolarHBondContact O-ND1 3.1Å; V256-V296 HydrophobicContact CG2-CB 4.21Å; V256-V296 HydrophobicContact CG2-CG2 4.39Å; V256-L297 HydrophobicContact CB-CD2 4.45Å; V256-L297 HydrophobicContact CG2-CD2 3.93Å
257T84.3Confident80.8Confident31 Ų3179.1 Ų79.119%0.1939%0.393CS..Hα-helixtrans-63.1-41.7177.2-68.90000111.7F233 E238 L253 D254 L255 H260 Q261F233-T257 WeakPolarHBondContact CE1-OG1 3.34Å; E238-T257 PolarHBondContact OE1-OG1 3.15Å; L253-T257 PolarHBondContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.45Å; D254-T257 PolarHBondContact O-N 2.58Å; L255-T257 VanDerWaalsContact C-N 3.34Å; T257-H260 PolarHBondContact O-N 3.1Å; T257-Q261 WeakPolarHBondContact O-CG 3.47Å; T257-Q261 PolarHBondContact O-N 3.13Å
258E84.9Confident79.7Confident89 Ų8979.9 Ų79.942%0.41639%0.393SS..Hα-helixtrans-63.8-40.6172.7-73.1-173.9-178.300112.2D254 L255 H260 Q261 G262 R263D254-E258 WeakPolarHBondContact O-CG 3.33Å; D254-E258 PolarHBondContact O-N 2.79Å; L255-E258 PolarHBondContact O-N 3.16Å; E258-H260 PolarHBondContact O-N 2.57Å; E258-Q261 CarbonylContact O-C 3.54Å; E258-Q261 WeakPolarHBondContact O-CA 3.09Å; E258-Q261 WeakPolarHBondContact O-CB 3.12Å; E258-Q261 PolarHBondContact O-N 3.04Å; E258-G262 PolarHBondContact O-N 3.3Å; E258-R263 CarbonylContact C-O 3.36Å; E258-R263 HydrophobicContact CB-CB 4.29Å; E258-R263 PolarHBondContact O-N 3.48Å
259A83.1Confident78.2Confident9 Ų985.6 Ų85.67%0.07441%0.41CS..Hα-helixtrans-65.7-37.4178.600000112.4L255 V256 Q261 G262 R263 L264 L297L255-A259 VanDerWaalsContact O-CB 3.28Å; L255-A259 WeakPolarHBondContact O-CB 3.45Å; L255-A259 PolarHBondContact O-N 3.42Å; V256-A259 PolarHBondContact O-N 3Å; A259-Q261 PolarHBondContact O-N 2.77Å; A259-G262 WeakPolarHBondContact O-CA 3.46Å; A259-G262 PolarHBondContact O-N 2.99Å; A259-R263 WeakPolarHBondContact CA-O 3.48Å; A259-R263 PolarHBondContact N-O 3.34Å; A259-L264 HydrophobicContact CB-CD2 3.76Å; A259-L297 HydrophobicContact CB-CD2 3.72Å
260H81.3Confident76.4Confident62 Ų6293.3 Ų93.329%0.28745%0.45SS..Hα-helixtrans-62.1-28170.4-79.188.6000112.6F225 I228 I230 V256 T257 E258 G262F225-H260 PolarHBondContact O-CE1 3.44Å; F225-H260 VanDerWaalsContact O-CE1 3.26Å; I228-H260 PolarHBondContact O-NE2 2.92Å; I230-H260 HydrophobicContact CD1-CB 4.31Å; V256-H260 VanDerWaalsContact CG1-CE1 3.48Å; V256-H260 WeakPolarHBondContact CG1-CE1 3.25Å; V256-H260 WeakPolarHBondContact CG1-ND1 3.49Å; V256-H260 PolarHBondContact O-N 3.4Å; V256-H260 PolarHBondContact O-ND1 3.1Å; T257-H260 PolarHBondContact O-N 3.1Å; E258-H260 PolarHBondContact O-N 2.57Å; H260-G262 PolarHBondContact O-N 2.72Å
261Q82.5Confident74.3Confident127 Ų12790.6 Ų90.659%0.59346%0.456SS*.THydrogen-bonded Turntrans-84.47.3173.3-62.5171.817.600113T257 E258 A259T257-Q261 WeakPolarHBondContact O-CG 3.47Å; T257-Q261 PolarHBondContact O-N 3.13Å; E258-Q261 CarbonylContact O-C 3.54Å; E258-Q261 WeakPolarHBondContact O-CA 3.09Å; E258-Q261 WeakPolarHBondContact O-CB 3.12Å; E258-Q261 PolarHBondContact O-N 3.04Å; A259-Q261 PolarHBondContact O-N 2.77Å
262G79Confident72.1Confident67 Ų6789.2 Ų89.269%0.69147%0.465SS*.THydrogen-bonded Turntrans8410.7178.900000115E258 A259 H260E258-G262 PolarHBondContact O-N 3.3Å; A259-G262 WeakPolarHBondContact O-CA 3.46Å; A259-G262 PolarHBondContact O-N 2.99Å; H260-G262 PolarHBondContact O-N 2.72Å
263R81.5Confident70Confident164 Ų16495.6 Ų95.662%0.61950%0.5SS*.  trans-103.7102.5178.7-62.1179.5-175174.93.4110.2E258 A259E258-R263 CarbonylContact C-O 3.36Å; E258-R263 HydrophobicContact CB-CB 4.29Å; E258-R263 PolarHBondContact O-N 3.48Å; A259-R263 WeakPolarHBondContact CA-O 3.48Å; A259-R263 PolarHBondContact N-O 3.34Å
264L77.8Confident67.8Low88 Ų8898.4 Ų98.446%0.46153%0.531SS..PPolyproline II helixtrans-92.8139.2177-70.4169.1000111.6A259A259-L264 HydrophobicContact CB-CD2 3.76Å
265P75.9Confident65.4Low38 Ų3899.6 Ų99.625%0.24755%0.551CS.*PPolyproline II helixtrans-66.5151.4173.828.1-32.4000110.4L255 L293 L297L255-P265 HydrophobicContact CD2-CB 4.47Å; P265-L293 HydrophobicContact CG-CD2 4.14Å; P265-L297 HydrophobicContact CG-CD1 3.43Å; P265-L297 VanDerWaalsContact CG-CD1 3.43Å
266K68.6Low63.3Low196 Ų196107.6 Ų107.685%0.85258%0.583SS**PPolyproline II helixtrans-65.5132170.2-67.4-174.7178.4-175.80108.7
267P64Low60.9Low65 Ų65111.5 Ų111.542%0.42262%0.624SS.*PPolyproline II helixtrans-65.5144.6-176.427.4-34.7000111.3A291 L293P267-A291 HydrophobicContact CB-CB 3.42Å; P267-A291 VanDerWaalsContact CB-CB 3.42Å; P267-A291 WeakPolarHBondContact CB-O 3.3Å; P267-A291 HydrophobicContact CG-CB 3.51Å; P267-L293 HydrophobicContact CB-CD2 4.36Å
268K57.7Low58.4Low175 Ų175113.9 Ų113.976%0.76165%0.654SS**PPolyproline II helixtrans-83.9139.2-175.2-76.3-179.1179174.10110.4
269R51Low56.2Low242 Ų242119.5 Ų119.591%0.91368%0.681SS**PPolyproline II helixtrans-78.3127.5169.2-66.4-177.5178.7-176.1-4.1109.5G271R269-G271 PolarHBondContact O-N 2.99Å
270L44.2Very low53.8Low163 Ų163122.5 Ų122.585%0.85371%0.713SS**  trans-75.198.3166.8-85.5146.9000108.1
271G40.4Very low51.4Low63 Ų63124.9 Ų124.965%0.64974%0.737SS**  trans-75.8127.4176.500000111.4R269 D273R269-G271 PolarHBondContact O-N 2.99Å; G271-D273 PolarHBondContact O-N 3.38Å
272S37.9Very low49.4Very low116 Ų116127 Ų12781%0.81175%0.752SS**  trans-53.4101.8159.7166.80000110.1G274S272-G274 PolarHBondContact O-N 3.29Å
273D39.1Very low47.3Very low175 Ų175131.1 Ų131.194%0.93675%0.753SS**  trans-84.489.7166.4-93.9-21.6000108.8G271G271-D273 PolarHBondContact O-N 3.38Å
274G38Very low45.2Very low66 Ų66133.1 Ų133.168%0.6877%0.769SS**  trans161.857.4166.700000118.7S272S272-G274 PolarHBondContact O-N 3.29Å
275A32.5Very low43.1Very low100 Ų100136.2 Ų136.283%0.82678%0.779SS**  trans-173.4107.914400000111.5
276K40.9Very low41.3Very low223 Ų223143.7 Ų143.797%0.9781%0.811SS**  trans-72.6123.9157.4-81.1-178174.8176.90108.7
277G33.6Very low39.8Very low82 Ų82139.5 Ų139.585%0.84580%0.798SS**  trans148.5114.7155.100000114.2
278G31.8Very low38.5Very low81 Ų81144.6 Ų144.684%0.83582%0.821SS**  trans135.6103.5161.400000113.5
279E39Very low37.9Very low207 Ų207143.9 Ų143.997%0.96782%0.821SS**  trans-66.3144.2169.6-67174.1148.200111.7
280G32.9Very low37.6Very low73 Ų73139.2 Ų139.275%0.75381%0.809SS**  trans107.5106.2148.400000116.3
281S30.8Very low38Very low112 Ų112133.5 Ų133.578%0.78379%0.786SS**  150.1117.5125.263.80000110.6E283S281-E283 PolarHBondContact O-N 2.99Å
282D41.6Very low39.1Very low171 Ų171137.6 Ų137.691%0.91478%0.783SS**  trans-57.4111.5165-72-46.6000110
283E33.6Very low40.6Very low153 Ų153135.1 Ų135.172%0.71576%0.76SS**  trans-136.4112.9155.4-73.6-168.9169.900108.1S281 K285S281-E283 PolarHBondContact O-N 2.99Å; E283-K285 PolarHBondContact O-N 2.9Å
284E38.7Very low42.2Very low206 Ų206128.8 Ų128.896%0.96373%0.728SS**  trans-59.5100.7165.6-69.3176.2156.800108.6
285K33.3Very low44.1Very low153 Ų153126.9 Ų126.967%0.66571%0.709SS**  trans-98.9114.7159.9-74.1-174178.2178.90108.2E283 D287E283-K285 PolarHBondContact O-N 2.9Å; K285-D287 PolarHBondContact O-N 3.14Å
286E38.1Very low46.4Very low195 Ų195122.2 Ų122.291%0.91167%0.67SS**  trans-63.579.8156.9-74.5178.7152.200107.8D288E286-D288 PolarHBondContact O-N 2.97Å
287D36Very low48.5Very low109 Ų109111.6 Ų111.658%0.58362%0.624SS**  trans-84.999.2164.1-76.3-29.8000106.8K285 E289K285-D287 PolarHBondContact O-N 3.14Å; D287-E289 HydrophobicContact CB-CG 4.22Å; D287-E289 PolarHBondContact O-N 2.84Å
288D37.9Very low51Low171 Ų171109.9 Ų109.991%0.91460%0.596SS**  trans-65.361160.3-86-29.8000109.3E286E286-D288 PolarHBondContact O-N 2.97Å
289E44.2Very low53.7Low160 Ų160109.8 Ų109.875%0.74858%0.576SS**  trans-84.1112.3169.4-79.7-174.7170.600108.7D287 A291D287-E289 HydrophobicContact CB-CG 4.22Å; D287-E289 PolarHBondContact O-N 2.84Å; E289-A291 PolarHBondContact O-N 3.32Å
290E44.4Very low56.1Low144 Ų144103.9 Ų103.967%0.67355%0.551SS**  trans-51.5103.6178.9-76.8-178.8162.600111.3Y292E290-Y292 HydrophobicContact CB-CE1 4.1Å; E290-Y292 HydrophobicContact CB-CE2 4.25Å; E290-Y292 WeakPolarHBondContact O-CD2 3.36Å; E290-Y292 VanDerWaalsContact O-CE2 3.3Å; E290-Y292 WeakPolarHBondContact O-CE2 3.49Å; E290-Y292 PolarHBondContact O-N 3.38Å; E290-Y292 PolarHBondContact OE2-OH 3.01Å
291A53.4Low58.8Low44 Ų44103.2 Ų103.236%0.36453%0.533SS..  trans-78.1114.1172.400000108.5P267 E289P267-A291 HydrophobicContact CB-CB 3.42Å; P267-A291 VanDerWaalsContact CB-CB 3.42Å; P267-A291 WeakPolarHBondContact CB-O 3.3Å; P267-A291 HydrophobicContact CG-CB 3.51Å; E289-A291 PolarHBondContact O-N 3.32Å
292Y63.1Low61.8Low148 Ų14897.9 Ų97.958%0.5850%0.496SS*.PPolyproline II helixtrans-81.8140.5-175.2-62-75.5000112.8E290E290-Y292 HydrophobicContact CB-CE1 4.1Å; E290-Y292 HydrophobicContact CB-CE2 4.25Å; E290-Y292 WeakPolarHBondContact O-CD2 3.36Å; E290-Y292 VanDerWaalsContact O-CE2 3.3Å; E290-Y292 WeakPolarHBondContact O-CE2 3.49Å; E290-Y292 PolarHBondContact O-N 3.38Å; E290-Y292 PolarHBondContact OE2-OH 3.01Å
293L68.8Low64.1Low65 Ų6591.9 Ų91.934%0.3446%0.462SS..PPolyproline II helixtrans-79152.2166.9-69.4172.2000109.9P265 P267 L297P265-L293 HydrophobicContact CG-CD2 4.14Å; P267-L293 HydrophobicContact CB-CD2 4.36Å; L293-L297 HydrophobicContact CB-CB 4.42Å
294P74Confident66.7Low41 Ų4184.6 Ų84.627%0.26643%0.428SS..PPolyproline II helixtrans-51.4145.3171-26.834.3000112.6V296 L297P294-V296 HydrophobicContact CB-CG2 3.75Å; P294-V296 PolarHBondContact O-N 3.15Å; P294-L297 WeakPolarHBondContact O-CA 3.31Å; P294-L297 WeakPolarHBondContact O-CB 3.4Å; P294-L297 PolarHBondContact O-N 3.09Å
295G77.1Confident69.1Low26 Ų2677.2 Ų77.227%0.26839%0.394SS..G310 helixtrans-58.2-33.5-178.600000113.2H221 L297 N298H221-G295 PolarHBondContact ND1-N 3.43Å; H221-G295 CarbonylContact O-C 3.58Å; H221-G295 WeakPolarHBondContact O-CA 3.45Å; G295-L297 PolarHBondContact O-N 3.47Å; G295-L297 VanDerWaalsContact O-N 3.11Å; G295-N298 WeakPolarHBondContact O-CB 3.35Å; G295-N298 PolarHBondContact O-N 2.96Å
296V81.6Confident71.8Confident2 Ų273 Ų731%0.01238%0.376CS..G310 helixtrans-58-23.3172.5-650000114.2F225 V256 P294F225-V296 HydrophobicContact CD2-CB 3.97Å; F225-V296 HydrophobicContact CD2-CG1 4.02Å; F225-V296 HydrophobicContact CE2-CG1 4.06Å; F225-V296 PolarHBondContact N-O 3.19Å; V256-V296 HydrophobicContact CG2-CB 4.21Å; V256-V296 HydrophobicContact CG2-CG2 4.39Å; P294-V296 HydrophobicContact CB-CG2 3.75Å; P294-V296 PolarHBondContact O-N 3.15Å
297L84.9Confident74.3Confident0 Ų066.1 Ų66.10%034%0.343CS..G310 helixtrans-97.43.2176.3-62.5-175.1000113.1R226 V256 A259 P265 L293 P294 G295 N299R226-L297 HydrophobicContact CG-CD2 4.42Å; R226-L297 VanDerWaalsContact CZ-O 3.22Å; R226-L297 PolarHBondContact NE-O 3.19Å; R226-L297 PolarHBondContact NH2-O 3.36Å; V256-L297 HydrophobicContact CB-CD2 4.45Å; V256-L297 HydrophobicContact CG2-CD2 3.93Å; A259-L297 HydrophobicContact CB-CD2 3.72Å; P265-L297 HydrophobicContact CG-CD1 3.43Å; P265-L297 VanDerWaalsContact CG-CD1 3.43Å; L293-L297 HydrophobicContact CB-CB 4.42Å; P294-L297 WeakPolarHBondContact O-CA 3.31Å; P294-L297 WeakPolarHBondContact O-CB 3.4Å; P294-L297 PolarHBondContact O-N 3.09Å; G295-L297 PolarHBondContact O-N 3.47Å; G295-L297 VanDerWaalsContact O-N 3.11Å; L297-N299 PolarHBondContact O-N 3.03Å
298N85.6Confident76.9Confident47 Ų4764.9 Ų64.925%0.25134%0.335SS..  trans-59.1131.7172.9-173.3-12.9000109.3R224 G295 N300R224-N298 WeakPolarHBondContact CB-O 3.21Å; R224-N298 HydrophobicContact CG-CB 4.1Å; G295-N298 WeakPolarHBondContact O-CB 3.35Å; G295-N298 PolarHBondContact O-N 2.96Å; N298-N300 VanDerWaalsContact OD1-CB 3.31Å; N298-N300 WeakPolarHBondContact OD1-CB 3.16Å; N298-N300 PolarHBondContact OD1-N 3.29Å
299N88.1Confident79.5Confident78 Ų7860.6 Ų60.642%0.41731%0.312SS..  trans-124.513.6177.967.6-38.1000112.5R226 L297R226-N299 HydrophobicContact CB-CB 4.11Å; R226-N299 PolarHBondContact NH2-ND2 2.93Å; R226-N299 PolarHBondContact NH2-OD1 3.44Å; L297-N299 PolarHBondContact O-N 3.03Å
300N89.8Confident81.9Confident84 Ų8453 Ų5345%0.44928%0.277SS..PPolyproline II helixtrans-67.2124.8171.2-68.3-8.3000107.5R224 L227 N298R224-N300 VanDerWaalsContact CD-O 3.25Å; R224-N300 WeakPolarHBondContact CD-O 3.4Å; R224-N300 PolarHBondContact NH1-O 2.87Å; L227-N300 VanDerWaalsContact CD1-O 3.31Å; L227-N300 WeakPolarHBondContact CD1-O 3.22Å; N298-N300 VanDerWaalsContact OD1-CB 3.31Å; N298-N300 WeakPolarHBondContact OD1-CB 3.16Å; N298-N300 PolarHBondContact OD1-N 3.29Å
301P90.8Very high84.5Confident58 Ų5846.1 Ų46.138%0.37725%0.245SC..PPolyproline II helixtrans-61.7147.2175.626.6-34.9000110.6R224 M305 F306R224-P301 PolarHBondContact NH1-O 3.39Å; P301-M305 HydrophobicContact CB-CB 4.24Å; P301-M305 HydrophobicContact CB-SD 4.04Å; P301-F306 HydrophobicContact CB-CE2 3.8Å; P301-F306 HydrophobicContact CB-CZ 3.95Å; P301-F306 HydrophobicContact CG-CE1 4.31Å; P301-F306 HydrophobicContact CG-CE2 3.61Å; P301-F306 HydrophobicContact CG-CZ 3.33Å
302R92Very high86.6Confident0 Ų044 Ų440%023%0.227CC..PPolyproline II helixtrans-73.2155.1169.8-58.1-72.4-171.7167.24109.1L184 S186 V191 E194 C222 G304 M305 F306L184-R302 PolarHBondContact O-NH1 3.32Å; L184-R302 PolarHBondContact O-NH2 2.96Å; S186-R302 PolarHBondContact O-NH1 3.44Å; V191-R302 HydrophobicContact CG2-CB 3.79Å; V191-R302 HydrophobicContact CG2-CG 3.68Å; E194-R302 IonicContact OE1-CZ 2.62Å; E194-R302 IonicContact OE1-NE 3.08Å; E194-R302 PolarHBondContact OE1-NE 2.77Å; E194-R302 IonicContact OE1-NH2 2.74Å; E194-R302 PolarHBondContact OE1-NH2 2.96Å; E194-R302 VanDerWaalsContact OE2-CG 3.28Å; E194-R302 WeakPolarHBondContact OE2-CG 3.46Å; E194-R302 IonicContact OE2-CZ 3.91Å; E194-R302 IonicContact OE2-NE 2.79Å; E194-R302 PolarHBondContact OE2-NE 2.94Å; E194-R302 IonicContact OE2-NH2 2.84Å; C222-R302 PolarHBondContact O-NH2 3.29Å; R302-G304 VanDerWaalsContact C-N 3.26Å; R302-G304 PolarHBondContact O-N 3.18Å; R302-M305 HydrophobicContact CB-CE 4.08Å; R302-M305 HydrophobicContact CB-CG 4.04Å; R302-M305 HydrophobicContact CB-SD 4Å; R302-M305 HydrophobicContact CG-CE 3.67Å; R302-M305 HydrophobicContact CG-SD 4.11Å; R302-M305 PolarHBondContact N-SD 2.99Å; R302-M305 WeakPolarHBondContact O-CB 3.22Å; R302-M305 PolarHBondContact O-N 3.09Å; R302-F306 WeakPolarHBondContact O-CD2 3.31Å
303F90.3Very high88.2Confident45 Ų4537 Ų3720%0.19720%0.2CC..G310 helixtrans-51.9-44.5177.2-179.8-97.1000112.5D187 L189 M305 F306 N606 L608 R609D187-F303 WeakPolarHBondContact O-CB 3.3Å; D187-F303 PolarHBondContact O-N 2.83Å; L189-F303 PolarHBondContact O-N 3.25Å; F303-M305 PolarHBondContact O-N 3.12Å; F303-F306 WeakPolarHBondContact O-CD2 3.37Å; F303-F306 PolarHBondContact O-N 2.81Å; F303-N606 VanDerWaalsContact CE1-ND2 3.34Å; F303-N606 WeakPolarHBondContact CE1-ND2 3.41Å; F303-N606 PolarHBondContact O-ND2 3.41Å; F303-L608 HydrophobicContact CD2-CD1 4.23Å; F303-L608 HydrophobicContact CE2-CB 4.11Å; F303-L608 HydrophobicContact CE2-CD1 4.46Å; F303-R609 HydrophobicContact CE1-CG 4.31Å; F303-R609 HydrophobicContact CE2-CG 4.48Å; F303-R609 HydrophobicContact CZ-CG 3.56Å
304G87.9Confident89.6Confident0 Ų034 Ų340%018%0.184CC..G310 helixtrans-66.5-14.5178.800000115.6L189 N190 V191 R302 F306 E307L189-G304 PolarHBondContact O-N 3.08Å; N190-G304 VanDerWaalsContact OD1-CA 3.22Å; N190-G304 WeakPolarHBondContact OD1-CA 3.32Å; V191-G304 CarbonylContact O-C 3.55Å; V191-G304 VanDerWaalsContact O-CA 3.24Å; V191-G304 WeakPolarHBondContact O-CA 3.41Å; R302-G304 VanDerWaalsContact C-N 3.26Å; R302-G304 PolarHBondContact O-N 3.18Å; G304-F306 PolarHBondContact O-N 2.74Å; G304-E307 PolarHBondContact O-N 3.19Å
305M90.4Very high90.6Very high51 Ų5132.5 Ų32.525%0.25117%0.174SC..G310 helixtrans-77-4.9-179.8-64.9173.1176.100113.4V191 E194 L227 P301 R302 F303 E307V191-M305 PolarHBondContact O-N 3.04Å; V191-M305 VanDerWaalsContact O-N 3.14Å; E194-M305 HydrophobicContact CB-CE 3.76Å; L227-M305 HydrophobicContact CB-CE 4.25Å; L227-M305 HydrophobicContact CD1-CE 3.83Å; L227-M305 HydrophobicContact CD1-SD 3.77Å; P301-M305 HydrophobicContact CB-CB 4.24Å; P301-M305 HydrophobicContact CB-SD 4.04Å; R302-M305 HydrophobicContact CB-CE 4.08Å; R302-M305 HydrophobicContact CB-CG 4.04Å; R302-M305 HydrophobicContact CB-SD 4Å; R302-M305 HydrophobicContact CG-CE 3.67Å; R302-M305 HydrophobicContact CG-SD 4.11Å; R302-M305 PolarHBondContact N-SD 2.99Å; R302-M305 WeakPolarHBondContact O-CB 3.22Å; R302-M305 PolarHBondContact O-N 3.09Å; F303-M305 PolarHBondContact O-N 3.12Å; M305-E307 VanDerWaalsContact C-N 3.35Å
306F89.7Confident91.3Very high65 Ų6534.3 Ų34.329%0.28518%0.177SC..G310 helixtrans-95.110.7175.9-63.3-90000113P301 R302 F303 G304 M308 T607 L608P301-F306 HydrophobicContact CB-CE2 3.8Å; P301-F306 HydrophobicContact CB-CZ 3.95Å; P301-F306 HydrophobicContact CG-CE1 4.31Å; P301-F306 HydrophobicContact CG-CE2 3.61Å; P301-F306 HydrophobicContact CG-CZ 3.33Å; R302-F306 WeakPolarHBondContact O-CD2 3.31Å; F303-F306 WeakPolarHBondContact O-CD2 3.37Å; F303-F306 PolarHBondContact O-N 2.81Å; G304-F306 PolarHBondContact O-N 2.74Å; F306-M308 PolarHBondContact O-N 3.22Å; F306-T607 PolarHBondContact O-N 2.83Å; F306-T607 PolarHBondContact O-OG1 3.44Å; F306-L608 HydrophobicContact CB-CD1 3.97Å; F306-L608 HydrophobicContact CB-CG 3.85Å; F306-L608 HydrophobicContact CD1-CD1 3.99Å; F306-L608 HydrophobicContact CD1-CD2 4.28Å; F306-L608 HydrophobicContact CD1-CG 4.07Å; F306-L608 HydrophobicContact CD2-CD1 3.32Å; F306-L608 HydrophobicContact CD2-CG 4.14Å; F306-L608 HydrophobicContact CE1-CD1 4.25Å; F306-L608 HydrophobicContact CE2-CD1 3.63Å; F306-L608 HydrophobicContact CG-CD1 3.49Å; F306-L608 VanDerWaalsContact CG-CD1 3.49Å; F306-L608 HydrophobicContact CG-CD2 4.48Å; F306-L608 HydrophobicContact CG-CG 3.77Å; F306-L608 HydrophobicContact CZ-CD1 4.07Å
307E89.3Confident91.9Very high50 Ų5038.8 Ų38.823%0.23421%0.205CC..EExtended strand (participates in β ladder)trans-65.2130.4167-74.9-170.6-18000110.9G304 M305 L605 N606G304-E307 PolarHBondContact O-N 3.19Å; M305-E307 VanDerWaalsContact C-N 3.35Å; E307-L605 WeakPolarHBondContact CA-O 3.36Å; E307-N606 HydrophobicContact CG-CB 4.08Å
308M90.7Very high92.3Very high84 Ų8439.2 Ų39.241%0.41421%0.209SC..EExtended strand (participates in β ladder)trans-126.8147.9178.5-65.8-173.8175.700110.4F306 L310 R604 L605 T607F306-M308 PolarHBondContact O-N 3.22Å; M308-L310 HydrophobicContact CB-CD2 4.16Å; M308-L310 HydrophobicContact CB-CG 4.31Å; M308-L310 PolarHBondContact O-N 3.31Å; M308-R604 VanDerWaalsContact O-CA 3.31Å; M308-R604 WeakPolarHBondContact O-CA 3.33Å; M308-L605 PolarHBondContact N-O 3.49Å; M308-L605 PolarHBondContact O-N 3Å; M308-T607 HydrophobicContact CB-CG2 4.25Å; M308-T607 HydrophobicContact CG-CG2 4.17Å; M308-T607 HydrophobicContact SD-CG2 3.81Å
309D93.3Very high92.8Very high80 Ų8037 Ų3743%0.42820%0.198SC..EExtended strand (participates in β ladder)trans-69.2113.3167.2-73.9-37.6000109.1V603 R604D309-V603 WeakPolarHBondContact CA-O 3.3Å; D309-R604 WeakPolarHBondContact OD1-CD 3.13Å; D309-R604 WeakPolarHBondContact OD1-CG 3.33Å
310L95.4Very high93.2Very high0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-123158.6-177.8-59.3178.1000111.2M308 A321 D323 V603 L605 T607 L610M308-L310 HydrophobicContact CB-CD2 4.16Å; M308-L310 HydrophobicContact CB-CG 4.31Å; M308-L310 PolarHBondContact O-N 3.31Å; L310-A321 HydrophobicContact CB-CB 4.1Å; L310-A321 HydrophobicContact CD1-CB 3.66Å; L310-A321 HydrophobicContact CG-CB 4.47Å; L310-D323 HydrophobicContact CD2-CB 3.7Å; L310-V603 HydrophobicContact CB-CG2 4.23Å; L310-V603 PolarHBondContact N-O 2.68Å; L310-V603 PolarHBondContact O-N 2.87Å; L310-L605 HydrophobicContact CD1-CB 4.01Å; L310-T607 HydrophobicContact CD1-CG2 4.19Å; L310-L610 HydrophobicContact CD1-CD1 4.08Å
311V97.2Very high93.6Very high1 Ų130 Ų301%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-93.8108.2169.9178.60000108.3A321 Y322 P324 I544 T546 I553 I600V311-A321 CarbonylContact O-C 3.52Å; V311-A321 WeakPolarHBondContact O-CA 3.37Å; V311-Y322 HydrophobicContact CB-CD1 4.35Å; V311-Y322 HydrophobicContact CG2-CD1 4.47Å; V311-Y322 PolarHBondContact N-O 2.98Å; V311-Y322 PolarHBondContact O-N 3.14Å; V311-P324 HydrophobicContact CG2-CG 4.33Å; V311-I544 HydrophobicContact CB-CD1 4.32Å; V311-I544 HydrophobicContact CG1-CD1 3.91Å; V311-I544 HydrophobicContact CG2-CD1 3.74Å; V311-T546 HydrophobicContact CG2-CG2 4.44Å; V311-I553 HydrophobicContact CG1-CD1 3.61Å; V311-I600 HydrophobicContact CG1-CG2 3.48Å; V311-I600 VanDerWaalsContact CG1-CG2 3.48Å
312L97.8Very high93.9Very high0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-85.8126177.1-162.266.2000110.5I314 T319 A321 V332 V352 I600 L601 V603 L605L312-I314 HydrophobicContact CD2-CD1 3.89Å; L312-I314 HydrophobicContact CD2-CG1 3.93Å; L312-I314 HydrophobicContact CG-CD1 4.39Å; L312-I314 HydrophobicContact CG-CG1 3.97Å; L312-T319 HydrophobicContact CD1-CG2 3.5Å; L312-T319 HydrophobicContact CD2-CG2 4.14Å; L312-T319 HydrophobicContact CG-CG2 3.81Å; L312-A321 HydrophobicContact CD1-CB 4.2Å; L312-V332 HydrophobicContact CD1-CB 4.26Å; L312-V332 HydrophobicContact CD1-CG1 4.22Å; L312-V332 HydrophobicContact CD1-CG2 3.83Å; L312-V352 HydrophobicContact CD2-CG1 4.15Å; L312-V352 HydrophobicContact CD2-CG2 4.22Å; L312-I600 VanDerWaalsContact O-CA 3.29Å; L312-I600 WeakPolarHBondContact O-CA 3.36Å; L312-L601 HydrophobicContact CB-CB 4.43Å; L312-L601 PolarHBondContact N-O 3.25Å; L312-L601 PolarHBondContact O-N 3.34Å; L312-V603 HydrophobicContact CB-CB 4.44Å; L312-V603 HydrophobicContact CB-CG1 3.85Å; L312-V603 HydrophobicContact CB-CG2 3.72Å; L312-V603 HydrophobicContact CD1-CG2 4.31Å; L312-V603 HydrophobicContact CD2-CG1 3.81Å; L312-V603 HydrophobicContact CD2-CG2 4.41Å; L312-V603 HydrophobicContact CG-CG1 4.43Å; L312-V603 HydrophobicContact CG-CG2 4.38Å; L312-L605 HydrophobicContact CD1-CD1 4.05Å
313M97.6Very high94Very high1 Ų128.4 Ų28.41%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-108.4118.6172.5-76.7160-84.100108.8T319 V320 Y322 I592 A595 I600M313-T319 WeakPolarHBondContact O-CA 3.42Å; M313-V320 HydrophobicContact CE-CG1 4.33Å; M313-V320 PolarHBondContact N-O 3.18Å; M313-V320 PolarHBondContact O-N 3.21Å; M313-Y322 HydrophobicContact CE-CG 4.38Å; M313-I592 HydrophobicContact CE-CD1 3.48Å; M313-I592 VanDerWaalsContact CE-CD1 3.48Å; M313-I592 HydrophobicContact CE-CG1 4.3Å; M313-I592 HydrophobicContact SD-CD1 3.72Å; M313-I592 HydrophobicContact SD-CG1 3.9Å; M313-I592 HydrophobicContact SD-CG2 4.33Å; M313-A595 HydrophobicContact CG-CB 4.37Å; M313-A595 HydrophobicContact SD-CB 3.87Å; M313-I600 HydrophobicContact CB-CD1 4.19Å; M313-I600 HydrophobicContact CG-CD1 3.32Å
314I97.4Very high94Very high0 Ų027.1 Ų27.10%015%0.145CC..EExtended strand (participates in β ladder)trans-116.8116.9-177.2-54.8164.2000108.6L312 T319 I338 H342 V352 V354 W383 S598 T599 L601L312-I314 HydrophobicContact CD2-CD1 3.89Å; L312-I314 HydrophobicContact CD2-CG1 3.93Å; L312-I314 HydrophobicContact CG-CD1 4.39Å; L312-I314 HydrophobicContact CG-CG1 3.97Å; I314-T319 HydrophobicContact CG1-CG2 3.96Å; I314-I338 HydrophobicContact CG2-CD1 3.41Å; I314-I338 VanDerWaalsContact CG2-CD1 3.41Å; I314-I338 HydrophobicContact CG2-CG1 4.23Å; I314-I338 HydrophobicContact CG2-CG2 4.11Å; I314-H342 PolarHBondContact O-CE1 3.3Å; I314-H342 PolarHBondContact O-NE2 3.14Å; I314-H342 VanDerWaalsContact O-NE2 3.09Å; I314-V352 HydrophobicContact CD1-CG1 3.91Å; I314-V354 HydrophobicContact CD1-CG2 4.24Å; I314-V354 HydrophobicContact CG2-CG2 4.07Å; I314-W383 HydrophobicContact CD1-CH2 3.88Å; I314-W383 HydrophobicContact CD1-CZ2 4.15Å; I314-W383 HydrophobicContact CG1-CH2 4.43Å; I314-W383 HydrophobicContact CG1-CZ2 4.2Å; I314-W383 HydrophobicContact CG2-CH2 4.21Å; I314-W383 HydrophobicContact CG2-CZ2 3.84Å; I314-S598 WeakPolarHBondContact O-CA 3.48Å; I314-T599 PolarHBondContact N-O 3.3Å; I314-T599 PolarHBondContact O-N 3.31Å; I314-L601 HydrophobicContact CD1-CD1 3.93Å
315N94.7Very high94Very high11 Ų1132.9 Ų32.96%0.05918%0.18CC..EExtended strand (participates in β ladder)trans-137.8-175.6171.568.628.3000112.2T317 G318 I338 E596 S598N315-T317 PolarHBondContact ND2-OG1 3.34Å; N315-T317 PolarHBondContact O-N 2.88Å; N315-T317 WeakPolarHBondContact OD1-CA 3.15Å; N315-T317 WeakPolarHBondContact OD1-CB 3.3Å; N315-T317 PolarHBondContact OD1-N 3.43Å; N315-T317 PolarHBondContact OD1-OG1 3.34Å; N315-G318 PolarHBondContact N-O 3.49Å; N315-G318 VanDerWaalsContact N-O 3.16Å; N315-G318 PolarHBondContact OD1-N 2.97Å; N315-G318 VanDerWaalsContact OD1-N 3.08Å; N315-G318 PolarHBondContact OD1-O 3.43Å; N315-G318 VanDerWaalsContact OD1-O 3.11Å; N315-I338 WeakPolarHBondContact O-CD1 3.49Å; N315-E596 PolarHBondContact ND2-O 3.25Å; N315-S598 WeakPolarHBondContact CB-OG 2.97Å; N315-S598 PolarHBondContact ND2-OG 3.03Å
316N93.7Very high94Very high63 Ų6332.4 Ų32.434%0.33719%0.188SC..THydrogen-bonded Turntrans-79.53-178.169.6-64.5000114.4I338 K340N316-I338 WeakPolarHBondContact CA-O 3.34Å; N316-I338 WeakPolarHBondContact CB-O 3.49Å; N316-K340 HydrophobicContact CB-CB 4.42Å
317T92.8Very high94.2Very high97 Ų9733.7 Ų33.760%0.59520%0.198SC*.THydrogen-bonded Turntrans-107.4-19175.767.30000112.7N315N315-T317 PolarHBondContact ND2-OG1 3.34Å; N315-T317 PolarHBondContact O-N 2.88Å; N315-T317 WeakPolarHBondContact OD1-CA 3.15Å; N315-T317 WeakPolarHBondContact OD1-CB 3.3Å; N315-T317 PolarHBondContact OD1-N 3.43Å; N315-T317 PolarHBondContact OD1-OG1 3.34Å
318G93.8Very high94.4Very high9 Ų934.6 Ų34.69%0.09320%0.202CC..EExtended strand (participates in β ladder)trans161.1-177.8178.200000111.7N315 S333N315-G318 PolarHBondContact N-O 3.49Å; N315-G318 VanDerWaalsContact N-O 3.16Å; N315-G318 PolarHBondContact OD1-N 2.97Å; N315-G318 VanDerWaalsContact OD1-N 3.08Å; N315-G318 PolarHBondContact OD1-O 3.43Å; N315-G318 VanDerWaalsContact OD1-O 3.11Å; G318-S333 WeakPolarHBondContact CA-O 3.42Å
319T96.6Very high94.6Very high1 Ų131.7 Ų31.71%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-119.4125.4174.9-53.50000109.5L312 M313 I314 V332 S333 W383L312-T319 HydrophobicContact CD1-CG2 3.5Å; L312-T319 HydrophobicContact CD2-CG2 4.14Å; L312-T319 HydrophobicContact CG-CG2 3.81Å; M313-T319 WeakPolarHBondContact O-CA 3.42Å; I314-T319 HydrophobicContact CG1-CG2 3.96Å; T319-V332 HydrophobicContact CG2-CB 3.95Å; T319-V332 HydrophobicContact CG2-CG1 4.08Å; T319-V332 WeakPolarHBondContact O-CB 3.46Å; T319-V332 PolarHBondContact O-N 2.88Å; T319-S333 PolarHBondContact N-O 3.5Å; T319-S333 PolarHBondContact O-N 2.92Å; T319-S333 VanDerWaalsContact O-N 3.17Å; T319-W383 HydrophobicContact CG2-CZ2 4.47Å; T319-W383 PolarHBondContact OG1-NE1 3.16Å
320V97.2Very high94.8Very high13 Ų1328.6 Ų28.68%0.07917%0.172CC..EExtended strand (participates in β ladder)trans-124.5135.7-177.6174.80000109.7M313 C329 F330 Y594 L613M313-V320 HydrophobicContact CE-CG1 4.33Å; M313-V320 PolarHBondContact N-O 3.18Å; M313-V320 PolarHBondContact O-N 3.21Å; V320-C329 HydrophobicContact CG1-CB 4.17Å; V320-F330 CarbonylContact C-O 3.49Å; V320-F330 WeakPolarHBondContact CA-O 3.3Å; V320-F330 WeakPolarHBondContact CG1-O 3.35Å; V320-Y594 HydrophobicContact CB-CG 4.16Å; V320-Y594 HydrophobicContact CG1-CD2 3.91Å; V320-Y594 HydrophobicContact CG1-CG 3.95Å; V320-Y594 HydrophobicContact CG2-CD1 3.82Å; V320-Y594 HydrophobicContact CG2-CE1 4.46Å; V320-Y594 HydrophobicContact CG2-CG 3.86Å; V320-L613 HydrophobicContact CG1-CD1 3.89Å; V320-L613 HydrophobicContact CG2-CD1 4.09Å
321A97.1Very high94.8Very high0 Ų030.1 Ų30.10%018%0.182CC..EExtended strand (participates in β ladder)trans-101.3141.5169.700000110.3L310 V311 L312 C329 F330 V332 L605 L610L310-A321 HydrophobicContact CB-CB 4.1Å; L310-A321 HydrophobicContact CD1-CB 3.66Å; L310-A321 HydrophobicContact CG-CB 4.47Å; V311-A321 CarbonylContact O-C 3.52Å; V311-A321 WeakPolarHBondContact O-CA 3.37Å; L312-A321 HydrophobicContact CD1-CB 4.2Å; A321-C329 CarbonylContact O-C 3.57Å; A321-C329 VanDerWaalsContact O-CA 3.3Å; A321-C329 WeakPolarHBondContact O-CA 3.42Å; A321-F330 PolarHBondContact N-O 3.45Å; A321-F330 PolarHBondContact O-N 3.41Å; A321-V332 HydrophobicContact CB-CG2 3.49Å; A321-V332 VanDerWaalsContact CB-CG2 3.49Å; A321-L605 HydrophobicContact CB-CD1 4.33Å; A321-L610 HydrophobicContact CB-CD1 4.4Å
322Y96.4Very high94.7Very high2 Ų230.2 Ų30.21%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-121.3130.2175.4171.2-114.6000110.6V311 M313 P324 N327 E328 I575 I592V311-Y322 HydrophobicContact CB-CD1 4.35Å; V311-Y322 HydrophobicContact CG2-CD1 4.47Å; V311-Y322 PolarHBondContact N-O 2.98Å; V311-Y322 PolarHBondContact O-N 3.14Å; M313-Y322 HydrophobicContact CE-CG 4.38Å; Y322-P324 HydrophobicContact CD1-CB 4.27Å; Y322-P324 VanDerWaalsContact CE1-CA 3.45Å; Y322-P324 HydrophobicContact CE1-CB 3.73Å; Y322-P324 WeakPolarHBondContact O-CD 3.33Å; Y322-N327 WeakPolarHBondContact CE2-OD1 3.47Å; Y322-N327 PolarHBondContact OH-OD1 3.4Å; Y322-E328 WeakPolarHBondContact CA-O 3.47Å; Y322-E328 WeakPolarHBondContact CD2-O 3.35Å; Y322-I575 HydrophobicContact CD1-CD1 3.48Å; Y322-I575 VanDerWaalsContact CD1-CD1 3.48Å; Y322-I575 HydrophobicContact CE1-CD1 3.28Å; Y322-I575 HydrophobicContact CG-CD1 4.4Å; Y322-I592 HydrophobicContact CD2-CD1 3.95Å; Y322-I592 HydrophobicContact CG-CD1 3.91Å
323D94.7Very high94.6Very high24 Ų2430.4 Ų30.413%0.12818%0.183CC..EExtended strand (participates in β ladder)trans-91108.7167.8174.99.1000109.3L310 V325 G326 N327 E328 F330L310-D323 HydrophobicContact CD2-CB 3.7Å; D323-V325 PolarHBondContact O-N 3.21Å; D323-V325 WeakPolarHBondContact OD1-CA 3.32Å; D323-V325 WeakPolarHBondContact OD1-CB 3.45Å; D323-V325 PolarHBondContact OD1-N 3.05Å; D323-G326 PolarHBondContact OD1-N 2.82Å; D323-G326 VanDerWaalsContact OD2-CA 3.25Å; D323-G326 WeakPolarHBondContact OD2-CA 3.25Å; D323-G326 PolarHBondContact OD2-N 2.86Å; D323-N327 WeakPolarHBondContact O-CA 3.46Å; D323-N327 PolarHBondContact O-N 3.02Å; D323-E328 PolarHBondContact N-O 3.27Å; D323-E328 PolarHBondContact O-N 3.46Å; D323-F330 HydrophobicContact CB-CE2 4.33Å
324P90Very high94.4Very high17 Ų1738.2 Ų38.211%0.1122%0.22CC..THydrogen-bonded Turntrans-71.7-13.9178.830.3-35.2000114V311 Y322 Y551V311-P324 HydrophobicContact CG2-CG 4.33Å; Y322-P324 HydrophobicContact CD1-CB 4.27Å; Y322-P324 VanDerWaalsContact CE1-CA 3.45Å; Y322-P324 HydrophobicContact CE1-CB 3.73Å; Y322-P324 WeakPolarHBondContact O-CD 3.33Å; P324-Y551 HydrophobicContact CB-CE1 3.79Å; P324-Y551 HydrophobicContact CG-CE1 4.19Å
325V88.7Confident94.1Very high122 Ų12238.9 Ų38.974%0.73922%0.224SC*.THydrogen-bonded Turntrans-89.9-52.4179.5-179.30000110.5D323 N327D323-V325 PolarHBondContact O-N 3.21Å; D323-V325 WeakPolarHBondContact OD1-CA 3.32Å; D323-V325 WeakPolarHBondContact OD1-CB 3.45Å; D323-V325 PolarHBondContact OD1-N 3.05Å; V325-N327 VanDerWaalsContact C-N 3.29Å
326G90.6Very high93.9Very high40 Ų4043.1 Ų43.141%0.41225%0.251SS..THydrogen-bonded Turntrans-75.4-17.3175.400000113.8D323 E328D323-G326 PolarHBondContact OD1-N 2.82Å; D323-G326 VanDerWaalsContact OD2-CA 3.25Å; D323-G326 WeakPolarHBondContact OD2-CA 3.25Å; D323-G326 PolarHBondContact OD2-N 2.86Å; G326-E328 WeakPolarHBondContact O-CG 3.27Å
327N92.6Very high93.7Very high93 Ų9345.8 Ų45.850%0.49726%0.261SS..THydrogen-bonded Turntrans57.447.4-172.3-170.448.5000112.4Y322 D323 V325 L589Y322-N327 WeakPolarHBondContact CE2-OD1 3.47Å; Y322-N327 PolarHBondContact OH-OD1 3.4Å; D323-N327 WeakPolarHBondContact O-CA 3.46Å; D323-N327 PolarHBondContact O-N 3.02Å; V325-N327 VanDerWaalsContact C-N 3.29Å; N327-L589 WeakPolarHBondContact OD1-CD1 3.46Å
328E94.2Very high93.8Very high69 Ų6941.2 Ų41.232%0.32223%0.233SC..EExtended strand (participates in β ladder)trans-122.2145.8-176.5-51.5-162.9150.500110.8Y322 D323 G326 F330 K612Y322-E328 WeakPolarHBondContact CA-O 3.47Å; Y322-E328 WeakPolarHBondContact CD2-O 3.35Å; D323-E328 PolarHBondContact N-O 3.27Å; D323-E328 PolarHBondContact O-N 3.46Å; G326-E328 WeakPolarHBondContact O-CG 3.27Å; E328-F330 HydrophobicContact CB-CE2 3.92Å; E328-F330 HydrophobicContact CB-CZ 3.98Å; E328-K612 VanDerWaalsContact CD-CE 3.46Å; E328-K612 IonicContact OE1-NZ 3.06Å; E328-K612 PolarHBondContact OE1-NZ 3.49Å; E328-K612 VanDerWaalsContact OE2-CE 3.23Å; E328-K612 WeakPolarHBondContact OE2-CE 3.15Å; E328-K612 IonicContact OE2-NZ 2.91Å; E328-K612 PolarHBondContact OE2-NZ 3.01Å
329C95.6Very high93.8Very high22 Ų2241.7 Ų41.715%0.14924%0.235CC..EExtended strand (participates in β ladder)trans-112.1150175.4-68.40000110.4V320 A321 Y594 L613V320-C329 HydrophobicContact CG1-CB 4.17Å; A321-C329 CarbonylContact O-C 3.57Å; A321-C329 VanDerWaalsContact O-CA 3.3Å; A321-C329 WeakPolarHBondContact O-CA 3.42Å; C329-Y594 HydrophobicContact CB-CE2 4.35Å; C329-L613 HydrophobicContact CB-CB 3.99Å; C329-L613 HydrophobicContact CB-CD1 3.99Å; C329-L613 PolarHBondContact O-N 3.35Å
330F96.1Very high93.6Very high15 Ų1548.5 Ų48.57%0.06626%0.264CS..EExtended strand (participates in β ladder)trans-137136.4179.9-54.7-92.2000110.4V320 A321 D323 E328 V332 T607 L610 T611 K612V320-F330 CarbonylContact C-O 3.49Å; V320-F330 WeakPolarHBondContact CA-O 3.3Å; V320-F330 WeakPolarHBondContact CG1-O 3.35Å; A321-F330 PolarHBondContact N-O 3.45Å; A321-F330 PolarHBondContact O-N 3.41Å; D323-F330 HydrophobicContact CB-CE2 4.33Å; E328-F330 HydrophobicContact CB-CE2 3.92Å; E328-F330 HydrophobicContact CB-CZ 3.98Å; F330-V332 PolarHBondContact O-N 2.88Å; F330-T607 HydrophobicContact CE2-CG2 4.37Å; F330-T607 HydrophobicContact CZ-CG2 4.24Å; F330-L610 HydrophobicContact CB-CB 3.75Å; F330-L610 HydrophobicContact CB-CD1 3.84Å; F330-L610 HydrophobicContact CB-CG 4.45Å; F330-L610 HydrophobicContact CD1-CB 4.11Å; F330-L610 HydrophobicContact CG-CB 4.22Å; F330-L610 HydrophobicContact CG-CD1 4.24Å; F330-T611 CarbonylContact C-O 3.34Å; F330-T611 VanDerWaalsContact CA-O 3.3Å; F330-T611 WeakPolarHBondContact CA-O 3.38Å; F330-K612 HydrophobicContact CD1-CB 4.03Å; F330-K612 HydrophobicContact CD1-CG 4.41Å; F330-K612 HydrophobicContact CE1-CB 4.06Å; F330-K612 HydrophobicContact CE1-CD 4.47Å; F330-K612 HydrophobicContact CE1-CG 4.18Å
331V95.9Very high93.3Very high33 Ų3353.8 Ų53.820%0.229%0.292CS..EExtended strand (participates in β ladder)trans-71.1123.3167.1-1740000108.4E334 T611 L613V331-E334 HydrophobicContact CG1-CG 3.96Å; V331-T611 PolarHBondContact N-O 3.22Å; V331-L613 HydrophobicContact CG2-CD1 3.88Å; V331-L613 HydrophobicContact CG2-CD2 3.39Å; V331-L613 HydrophobicContact CG2-CG 3.54Å
332V96Very high93.3Very high3 Ų354.8 Ų54.82%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-100.8-42175.81770000110.9L312 T319 A321 F330 F376 S381 L605 L610L312-V332 HydrophobicContact CD1-CB 4.26Å; L312-V332 HydrophobicContact CD1-CG1 4.22Å; L312-V332 HydrophobicContact CD1-CG2 3.83Å; T319-V332 HydrophobicContact CG2-CB 3.95Å; T319-V332 HydrophobicContact CG2-CG1 4.08Å; T319-V332 WeakPolarHBondContact O-CB 3.46Å; T319-V332 PolarHBondContact O-N 2.88Å; A321-V332 HydrophobicContact CB-CG2 3.49Å; A321-V332 VanDerWaalsContact CB-CG2 3.49Å; F330-V332 PolarHBondContact O-N 2.88Å; V332-F376 HydrophobicContact CG1-CE1 3.73Å; V332-F376 HydrophobicContact CG1-CE2 3.87Å; V332-F376 HydrophobicContact CG1-CZ 3.23Å; V332-S381 VanDerWaalsContact O-CB 3.22Å; V332-S381 WeakPolarHBondContact O-CB 3.28Å; V332-S381 PolarHBondContact O-OG 2.77Å; V332-L605 HydrophobicContact CG1-CD1 4.09Å; V332-L605 HydrophobicContact CG2-CD1 3.84Å; V332-L610 HydrophobicContact CB-CD2 4.47Å; V332-L610 HydrophobicContact CG2-CD1 4.13Å; V332-L610 HydrophobicContact CG2-CD2 4.09Å
333S95Very high93.3Very high4 Ų456.1 Ų56.13%0.02831%0.307CS..EExtended strand (participates in β ladder)trans-153140.6175.3-173.30000110.3G318 T319 S335 S381G318-S333 WeakPolarHBondContact CA-O 3.42Å; T319-S333 PolarHBondContact N-O 3.5Å; T319-S333 PolarHBondContact O-N 2.92Å; T319-S333 VanDerWaalsContact O-N 3.17Å; S333-S335 VanDerWaalsContact C-N 3.33Å; S333-S335 WeakPolarHBondContact OG-CB 3.28Å; S333-S335 PolarHBondContact OG-N 3.44Å; S333-S381 VanDerWaalsContact CB-O 3.25Å; S333-S381 WeakPolarHBondContact CB-O 3.32Å; S333-S381 PolarHBondContact OG-O 3.29Å
334E92.7Very high93.5Very high164 Ų16455.9 Ų55.977%0.76631%0.307SS*.  trans-92.53.8173.6-61.1-174.4162.400112.3V331 T336V331-E334 HydrophobicContact CG1-CG 3.96Å; E334-T336 PolarHBondContact O-N 2.89Å
335S91.3Very high93.8Very high14 Ų1456.2 Ų56.210%0.09831%0.307CS..  trans-61.3136.9-179-179.20000111.7S333 E337S333-S335 VanDerWaalsContact C-N 3.33Å; S333-S335 WeakPolarHBondContact OG-CB 3.28Å; S333-S335 PolarHBondContact OG-N 3.44Å; S335-E337 PolarHBondContact OG-N 2.91Å
336T91.4Very high94.2Very high101 Ų10152 Ų5262%0.6228%0.282SS*.  trans-109.911.8177.4550000112.2E334 I338E334-T336 PolarHBondContact O-N 2.89Å; T336-I338 PolarHBondContact O-N 2.84Å
337E89.4Confident94.5Very high118 Ų11850.4 Ų50.455%0.55126%0.264SS*.  trans-75.4-14.3-178.4-61.5-171.116400113S335S335-E337 PolarHBondContact OG-N 2.91Å
338I94.3Very high94.4Very high2 Ų253 Ų531%0.0127%0.271CS..SBendtrans-69.2125.1179.4-64.5155.1000109.9I314 N315 N316 T336 V354 L374 W383I314-I338 HydrophobicContact CG2-CD1 3.41Å; I314-I338 VanDerWaalsContact CG2-CD1 3.41Å; I314-I338 HydrophobicContact CG2-CG1 4.23Å; I314-I338 HydrophobicContact CG2-CG2 4.11Å; N315-I338 WeakPolarHBondContact O-CD1 3.49Å; N316-I338 WeakPolarHBondContact CA-O 3.34Å; N316-I338 WeakPolarHBondContact CB-O 3.49Å; T336-I338 PolarHBondContact O-N 2.84Å; I338-V354 HydrophobicContact CG2-CG1 4.26Å; I338-L374 HydrophobicContact CG1-CD1 4.3Å; I338-W383 HydrophobicContact CD1-CD2 4.23Å; I338-W383 HydrophobicContact CD1-CG 4.43Å; I338-W383 HydrophobicContact CD1-CZ2 3.96Å; I338-W383 HydrophobicContact CG1-CD2 4.3Å; I338-W383 HydrophobicContact CG1-CG 4.41Å
339P93.7Very high94.1Very high19 Ų1955.3 Ų55.312%0.12328%0.282CS..  trans-69.1141.6176.725.3-30.3000111.2N341 H342 Y372P339-N341 VanDerWaalsContact C-N 3.31Å; P339-N341 PolarHBondContact O-N 3.5Å; P339-H342 HydrophobicContact CG-CB 4.23Å; P339-H342 PolarHBondContact O-ND1 3.22Å; P339-Y372 HydrophobicContact CB-CD2 4.23Å; P339-Y372 HydrophobicContact CG-CD2 3.98Å; P339-Y372 HydrophobicContact CG-CG 4.29Å
340K92.1Very high94Very high143 Ų14356.2 Ų56.262%0.62229%0.285SS*.SBendtrans-51.3-48.5179.4-176.9177.6-179.2174.10112.7N316 H342N316-K340 HydrophobicContact CB-CB 4.42Å; K340-H342 PolarHBondContact O-N 3.41Å; K340-H342 PolarHBondContact O-ND1 3.38Å
341N92.4Very high93.9Very high125 Ų12558.8 Ų58.867%0.66830%0.297SS*.SBendtrans-92.6101.2176.6-63.6-29.7000109.4P339 G357P339-N341 VanDerWaalsContact C-N 3.31Å; P339-N341 PolarHBondContact O-N 3.5Å; N341-G357 PolarHBondContact O-N 3.48Å
342H95.9Very high94Very high20 Ų2057.4 Ų57.49%0.09329%0.289CS..EExtended strand (participates in β ladder)trans-142.7167.117966.8-79.5000111.8I314 P339 K340 V354 V355 T599I314-H342 PolarHBondContact O-CE1 3.3Å; I314-H342 PolarHBondContact O-NE2 3.14Å; I314-H342 VanDerWaalsContact O-NE2 3.09Å; P339-H342 HydrophobicContact CG-CB 4.23Å; P339-H342 PolarHBondContact O-ND1 3.22Å; K340-H342 PolarHBondContact O-N 3.41Å; K340-H342 PolarHBondContact O-ND1 3.38Å; H342-V354 HydrophobicContact CB-CG1 3.81Å; H342-V355 WeakPolarHBondContact CA-O 3.33Å; H342-T599 PolarHBondContact CD2-OG1 3.35Å; H342-T599 WeakPolarHBondContact NE2-CG2 3.47Å; H342-T599 PolarHBondContact NE2-OG1 3.4Å; H342-T599 WeakPolarHBondContact O-CG2 3.49Å
343S97.1Very high94.1Very high31 Ų3157.4 Ų57.422%0.21729%0.289CS..EExtended strand (participates in β ladder)trans-122.6147165.2-610000107.7V354 V355 L398S343-V354 WeakPolarHBondContact O-CA 3.5Å; S343-V355 PolarHBondContact N-O 3.19Å; S343-V355 PolarHBondContact O-N 3.39Å; S343-L398 WeakPolarHBondContact O-CD1 3.39Å
344S97.8Very high94.2Very high19 Ų1957.2 Ų57.213%0.13329%0.287CS..EExtended strand (participates in β ladder)trans-125.7157.2-179.164.60000110.7F353 T599 L601S344-F353 CarbonylContact C-O 3.59Å; S344-F353 WeakPolarHBondContact CA-O 3.42Å; S344-T599 VanDerWaalsContact CB-OG1 3.26Å; S344-T599 WeakPolarHBondContact CB-OG1 3.25Å; S344-T599 WeakPolarHBondContact OG-CB 3.27Å; S344-T599 PolarHBondContact OG-OG1 3.25Å; S344-L601 WeakPolarHBondContact OG-CD1 3.48Å; S344-L601 WeakPolarHBondContact OG-CG 3.42Å
345L97.6Very high94.4Very high23 Ų2349.4 Ų49.412%0.1225%0.251CS..EExtended strand (participates in β ladder)trans-145135.3-178176.670.2000109.1V352 F353 L398 E400 I405L345-V352 WeakPolarHBondContact O-CA 3.4Å; L345-F353 PolarHBondContact N-O 2.7Å; L345-F353 PolarHBondContact O-N 2.81Å; L345-L398 HydrophobicContact CB-CB 4.15Å; L345-L398 HydrophobicContact CB-CD1 4.09Å; L345-L398 HydrophobicContact CD2-CB 4.44Å; L345-E400 HydrophobicContact CD2-CB 4.09Å; L345-I405 HydrophobicContact CD2-CG1 4.27Å; L345-I405 HydrophobicContact CD2-CG2 3.94Å
346V97.3Very high94.6Very high33 Ų3348.8 Ų48.820%0.225%0.247CC..EExtended strand (participates in β ladder)trans-104.1133.3164.363.20000108.6Q351 V352 L601 P602 V603V346-Q351 WeakPolarHBondContact CA-O 3.22Å; V346-V352 HydrophobicContact CG2-CG2 4.31Å; V346-L601 HydrophobicContact CB-CD1 4.31Å; V346-L601 HydrophobicContact CG1-CB 4.48Å; V346-L601 HydrophobicContact CG1-CD2 4.4Å; V346-P602 HydrophobicContact CG1-CG 4.25Å; V346-P602 WeakPolarHBondContact CG1-O 3.46Å; V346-V603 HydrophobicContact CG2-CG1 4.23Å
347T95.4Very high94.6Very high7 Ų744.7 Ų44.74%0.04323%0.225CC..  trans-86.5166.317763.20000111.1Q349 N350 Q351 F353 E400T347-Q349 PolarHBondContact O-N 2.84Å; T347-Q349 VanDerWaalsContact O-N 3.15Å; T347-N350 WeakPolarHBondContact O-CA 3.31Å; T347-N350 PolarHBondContact O-N 3.06Å; T347-Q351 HydrophobicContact CG2-CB 4.37Å; T347-Q351 PolarHBondContact N-O 3.19Å; T347-Q351 VanDerWaalsContact OG1-CB 3.31Å; T347-Q351 WeakPolarHBondContact OG1-CB 3.19Å; T347-Q351 PolarHBondContact OG1-N 3.43Å; T347-Q351 PolarHBondContact OG1-O 3.23Å; T347-F353 HydrophobicContact CG2-CD2 3.93Å; T347-F353 HydrophobicContact CG2-CE2 3.74Å; T347-E400 HydrophobicContact CG2-CB 4.37Å; T347-E400 HydrophobicContact CG2-CG 4.01Å
348K91.1Very high94.6Very high149 Ų14942.9 Ų42.965%0.64822%0.219SC*.THydrogen-bonded Turntrans-59.2-24.8173.7-72.3-178.7179.3-175.40114N350 E400K348-N350 VanDerWaalsContact C-N 3.25Å; K348-E400 PolarHBondContact N-OE2 3.42Å
349Q89.1Confident94.3Very high116 Ų11644.9 Ų44.954%0.54223%0.229SC..THydrogen-bonded Turntrans-9117.4174.9-57.677.530.600112.4T347 Q351 E400T347-Q349 PolarHBondContact O-N 2.84Å; T347-Q349 VanDerWaalsContact O-N 3.15Å; Q349-Q351 PolarHBondContact O-N 3.21Å; Q349-E400 PolarHBondContact OE1-OE1 3.01Å
350N91.9Very high93.9Very high41 Ų4151 Ų5122%0.21925%0.251CS..  trans62.323.5175.5-166.158.6000114.3T347 K348 R604T347-N350 WeakPolarHBondContact O-CA 3.31Å; T347-N350 PolarHBondContact O-N 3.06Å; K348-N350 VanDerWaalsContact C-N 3.25Å; N350-R604 PolarHBondContact ND2-O 3.25Å; N350-R604 PolarHBondContact OD1-N 2.75Å
351Q94.4Very high93.4Very high70 Ų7046.8 Ų46.833%0.32724%0.235SC..  trans-83.8132.9168.9-55.9175.2-33.500109.2V346 T347 Q349 F353V346-Q351 WeakPolarHBondContact CA-O 3.22Å; T347-Q351 HydrophobicContact CG2-CB 4.37Å; T347-Q351 PolarHBondContact N-O 3.19Å; T347-Q351 VanDerWaalsContact OG1-CB 3.31Å; T347-Q351 WeakPolarHBondContact OG1-CB 3.19Å; T347-Q351 PolarHBondContact OG1-N 3.43Å; T347-Q351 PolarHBondContact OG1-O 3.23Å; Q349-Q351 PolarHBondContact O-N 3.21Å; Q351-F353 HydrophobicContact CB-CD2 4.42Å; Q351-F353 HydrophobicContact CB-CE2 3.65Å; Q351-F353 HydrophobicContact CB-CZ 4.28Å
352V97.6Very high92.8Very high4 Ų448.3 Ų48.32%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-106.5131.3-178.1-177.70000109.8L312 I314 L345 V346 Q375 F376 W383 L601 V603L312-V352 HydrophobicContact CD2-CG1 4.15Å; L312-V352 HydrophobicContact CD2-CG2 4.22Å; I314-V352 HydrophobicContact CD1-CG1 3.91Å; L345-V352 WeakPolarHBondContact O-CA 3.4Å; V346-V352 HydrophobicContact CG2-CG2 4.31Å; V352-Q375 WeakPolarHBondContact O-CA 3.47Å; V352-F376 HydrophobicContact CB-CB 4.01Å; V352-F376 PolarHBondContact O-N 2.87Å; V352-W383 HydrophobicContact CG1-CH2 3.81Å; V352-W383 HydrophobicContact CG1-CZ3 4.38Å; V352-L601 HydrophobicContact CG1-CD1 3.77Å; V352-V603 HydrophobicContact CG2-CG1 3.8Å
353F98.1Very high92.1Very high2 Ų256.1 Ų56.11%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-125.6148.5179.4-66.6-88.6000111.1S344 L345 T347 Q351 F373 L374 Q375 I405S344-F353 CarbonylContact C-O 3.59Å; S344-F353 WeakPolarHBondContact CA-O 3.42Å; L345-F353 PolarHBondContact N-O 2.7Å; L345-F353 PolarHBondContact O-N 2.81Å; T347-F353 HydrophobicContact CG2-CD2 3.93Å; T347-F353 HydrophobicContact CG2-CE2 3.74Å; Q351-F353 HydrophobicContact CB-CD2 4.42Å; Q351-F353 HydrophobicContact CB-CE2 3.65Å; Q351-F353 HydrophobicContact CB-CZ 4.28Å; F353-F373 HydrophobicContact CB-CE2 4.03Å; F353-F373 AromaticContact CD1-CE2 3.57Å; F353-F373 HydrophobicContact CD1-CE2 3.57Å; F353-F373 AromaticContact CD1-CZ 3.59Å; F353-F373 HydrophobicContact CD1-CZ 3.59Å; F353-F373 HydrophobicContact CE1-CE2 4.43Å; F353-F373 HydrophobicContact CE1-CZ 4.01Å; F353-F373 HydrophobicContact CG-CE2 4.14Å; F353-F373 HydrophobicContact CG-CZ 4.42Å; F353-L374 CarbonylContact C-O 3.49Å; F353-L374 VanDerWaalsContact CA-O 3.29Å; F353-L374 WeakPolarHBondContact CA-O 3.41Å; F353-Q375 HydrophobicContact CD1-CB 3.83Å; F353-Q375 HydrophobicContact CD1-CG 4.03Å; F353-Q375 HydrophobicContact CE1-CB 3.66Å; F353-Q375 HydrophobicContact CE1-CG 3.57Å; F353-Q375 HydrophobicContact CZ-CB 4.47Å; F353-Q375 HydrophobicContact CZ-CG 3.89Å; F353-I405 HydrophobicContact CB-CD1 4.33Å; F353-I405 HydrophobicContact CD1-CD1 3.77Å; F353-I405 HydrophobicContact CD2-CD1 3.54Å; F353-I405 HydrophobicContact CE1-CD1 3.87Å; F353-I405 HydrophobicContact CE2-CD1 3.66Å; F353-I405 HydrophobicContact CG-CD1 3.6Å; F353-I405 HydrophobicContact CZ-CD1 3.82Å
354V98.1Very high91.3Very high0 Ų057.8 Ų57.80%028%0.281CS..EExtended strand (participates in β ladder)trans-127.7131.8174.1167.20000109I314 I338 H342 S343 F373 L374 W383I314-V354 HydrophobicContact CD1-CG2 4.24Å; I314-V354 HydrophobicContact CG2-CG2 4.07Å; I338-V354 HydrophobicContact CG2-CG1 4.26Å; H342-V354 HydrophobicContact CB-CG1 3.81Å; S343-V354 WeakPolarHBondContact O-CA 3.5Å; V354-F373 WeakPolarHBondContact O-CA 3.43Å; V354-L374 HydrophobicContact CB-CB 4.37Å; V354-L374 PolarHBondContact N-O 3.26Å; V354-L374 PolarHBondContact O-N 3.4Å; V354-W383 HydrophobicContact CB-CH2 4.39Å; V354-W383 HydrophobicContact CB-CZ3 3.93Å; V354-W383 HydrophobicContact CG2-CE3 4.33Å; V354-W383 HydrophobicContact CG2-CH2 3.39Å; V354-W383 HydrophobicContact CG2-CZ2 4.3Å; V354-W383 HydrophobicContact CG2-CZ3 3.41Å; V354-W383 VanDerWaalsContact CG2-CZ3 3.41Å
355V97.6Very high90.3Very high0 Ų065.8 Ų65.80%031%0.313CS..EExtended strand (participates in β ladder)trans-125132.6171.8-176.50000108.4H342 S343 Y372 F373 Q389 F396 L398H342-V355 WeakPolarHBondContact CA-O 3.33Å; S343-V355 PolarHBondContact N-O 3.19Å; S343-V355 PolarHBondContact O-N 3.39Å; V355-Y372 WeakPolarHBondContact CA-O 3.23Å; V355-F373 HydrophobicContact CG2-CD2 3.47Å; V355-F373 VanDerWaalsContact CG2-CD2 3.47Å; V355-F373 HydrophobicContact CG2-CE2 3.87Å; V355-F373 HydrophobicContact CG2-CG 4.43Å; V355-Q389 HydrophobicContact CG1-CB 4.2Å; V355-Q389 HydrophobicContact CG1-CG 4.26Å; V355-F396 HydrophobicContact CB-CE2 4.06Å; V355-F396 HydrophobicContact CB-CZ 3.89Å; V355-F396 HydrophobicContact CG1-CE2 4.04Å; V355-F396 HydrophobicContact CG1-CZ 3.65Å; V355-L398 HydrophobicContact CB-CD1 4.4Å; V355-L398 HydrophobicContact CB-CD2 4.39Å; V355-L398 HydrophobicContact CG2-CD1 4.36Å; V355-L398 HydrophobicContact CG2-CD2 4.07Å
356G94.6Very high89.4Confident1 Ų171.7 Ų71.71%0.0135%0.345CS..EExtended strand (participates in β ladder)trans164.8-170175.700000114.9S371 Y372G356-S371 WeakPolarHBondContact O-CB 3.44Å; G356-Y372 PolarHBondContact N-O 3.44Å; G356-Y372 VanDerWaalsContact N-O 3.09Å; G356-Y372 WeakPolarHBondContact O-CB 3.49Å; G356-Y372 PolarHBondContact O-N 3.18Å
357G91.4Very high88.5Confident16 Ų1674.7 Ų74.717%0.16536%0.357CS..EExtended strand (participates in β ladder)trans61.4-168.6-178.600000114.3N341 S371N341-G357 PolarHBondContact O-N 3.48Å; G357-S371 WeakPolarHBondContact O-CB 3.25Å; G357-S371 PolarHBondContact O-OG 3.36Å
358L89.7Confident87.9Confident80 Ų8075.3 Ų75.342%0.41936%0.361SS..EExtended strand (participates in β ladder)trans-135.2127-179.2-171.968.1000109.7F369 M370 P392L358-F369 HydrophobicContact CD1-CB 3.94Å; L358-F369 HydrophobicContact CD1-CD1 3.99Å; L358-F369 HydrophobicContact CD1-CG 4.33Å; L358-F369 HydrophobicContact CD2-CD1 3.9Å; L358-F369 HydrophobicContact CD2-CE1 4.18Å; L358-F369 HydrophobicContact CG-CD1 4.01Å; L358-M370 CarbonylContact C-O 3.44Å; L358-M370 WeakPolarHBondContact CA-O 3.36Å; L358-P392 HydrophobicContact CD1-CB 3.56Å; L358-P392 HydrophobicContact CD1-CG 3.84Å
359L87.4Confident87.6Confident43 Ų4371.9 Ų71.923%0.22535%0.347CS..EExtended strand (participates in β ladder)trans-111.5145.8175.4-82.5166000109.4F369 M370 Y372L359-F369 WeakPolarHBondContact O-CA 3.49Å; L359-M370 HydrophobicContact CB-CB 4.23Å; L359-M370 PolarHBondContact N-O 2.81Å; L359-M370 PolarHBondContact O-N 2.94Å; L359-Y372 HydrophobicContact CD1-CD1 3.65Å; L359-Y372 HydrophobicContact CD1-CD2 4.06Å; L359-Y372 HydrophobicContact CD1-CE1 3.93Å; L359-Y372 HydrophobicContact CD1-CE2 4.3Å; L359-Y372 HydrophobicContact CD1-CG 3.72Å; L359-Y372 HydrophobicContact CD2-CD1 4.01Å; L359-Y372 HydrophobicContact CD2-CD2 4.37Å; L359-Y372 HydrophobicContact CD2-CE1 3.36Å; L359-Y372 HydrophobicContact CD2-CE2 3.77Å; L359-Y372 HydrophobicContact CD2-CG 4.47Å; L359-Y372 VanDerWaalsContact CD2-OH 3.32Å; L359-Y372 WeakPolarHBondContact CD2-OH 3.44Å; L359-Y372 HydrophobicContact CG-CD1 3.89Å; L359-Y372 HydrophobicContact CG-CD2 3.73Å; L359-Y372 HydrophobicContact CG-CE1 3.72Å; L359-Y372 HydrophobicContact CG-CE2 3.53Å; L359-Y372 HydrophobicContact CG-CG 3.9Å
360Y85.8Confident87.7Confident148 Ų14868.4 Ų68.458%0.5833%0.331SS*.EExtended strand (participates in β ladder)trans-111.8121171.9-176.7-104.5000109.5E362 P368 F369Y360-E362 HydrophobicContact CD1-CG 3.93Å; Y360-E362 HydrophobicContact CE1-CG 3.72Å; Y360-P368 CarbonylContact C-O 3.59Å; Y360-P368 VanDerWaalsContact CA-O 3.3Å; Y360-P368 WeakPolarHBondContact CA-O 3.33Å; Y360-P368 HydrophobicContact CD2-CB 3.86Å; Y360-P368 HydrophobicContact CE2-CB 3.47Å; Y360-P368 VanDerWaalsContact CE2-CB 3.47Å; Y360-P368 HydrophobicContact CE2-CG 4.06Å; Y360-F369 HydrophobicContact CD2-CD1 4.05Å; Y360-F369 AromaticContact CD2-CE1 3.65Å; Y360-F369 HydrophobicContact CD2-CE1 3.65Å; Y360-F369 AromaticContact CD2-CZ 3.96Å; Y360-F369 HydrophobicContact CD2-CZ 3.96Å; Y360-F369 HydrophobicContact CE2-CE1 4.4Å; Y360-F369 HydrophobicContact CE2-CZ 4.26Å
361N81.8Confident87.7Confident54 Ų5466.4 Ų66.429%0.28932%0.32SS..  trans-98.2113.4174.3-1761.4000109.2E363 P368N361-E363 VanDerWaalsContact C-N 3.26Å; N361-E363 PolarHBondContact O-N 2.97Å; N361-E363 WeakPolarHBondContact OD1-CB 3.41Å; N361-E363 PolarHBondContact OD1-N 2.99Å; N361-P368 PolarHBondContact N-O 2.9Å
362E79.9Confident87.8Confident158 Ų15866.8 Ų66.874%0.73832%0.319SS*.SBendtrans-70.6-21.5179.3-66.4-167.5166.400113.5Y360Y360-E362 HydrophobicContact CD1-CG 3.93Å; Y360-E362 HydrophobicContact CE1-CG 3.72Å
363E81Confident87.7Confident184 Ų18466.7 Ų66.786%0.8632%0.318SS*.SBendtrans-83-31-174.4-58.8-171.7166.200112.7N361N361-E363 VanDerWaalsContact C-N 3.26Å; N361-E363 PolarHBondContact O-N 2.97Å; N361-E363 WeakPolarHBondContact OD1-CB 3.41Å; N361-E363 PolarHBondContact OD1-N 2.99Å
364D80.3Confident87.7Confident66 Ų6667 Ų6735%0.35332%0.32SS..  trans-97.6102.5178.4-166.4-26.9000110.7D366 E367 P368D364-D366 PolarHBondContact OD1-N 3.2Å; D364-E367 PolarHBondContact OD1-N 3.24Å; D364-P368 WeakPolarHBondContact O-CA 3.45Å; D364-P368 VanDerWaalsContact O-CB 3.26Å; D364-P368 WeakPolarHBondContact O-CB 3.34Å
365K77.1Confident87.7Confident186 Ų18668.9 Ų68.981%0.80933%0.329SS*.SBendtrans-80.4-17.4-179.3-66.7-173.6-179.9178.90113.7
366D78Confident87.6Confident148 Ų14869.3 Ų69.379%0.79133%0.331SS*.SBendtrans-87.9-42.9-177.1-65.3-34.5000109.9D364D364-D366 PolarHBondContact OD1-N 3.2Å
367E78.3Confident87.4Confident95 Ų9571.4 Ų71.444%0.44434%0.342SS..SBendtrans-130.170.6175.7-64.4-163.6169.700113.1D364 F369D364-E367 PolarHBondContact OD1-N 3.24Å; E367-F369 PolarHBondContact O-N 3.48Å
368P82Confident87.2Confident21 Ų2173.8 Ų73.814%0.13635%0.354CS..  trans-73-6.4-17128.1-36.1000114.6Y360 N361 D364Y360-P368 CarbonylContact C-O 3.59Å; Y360-P368 VanDerWaalsContact CA-O 3.3Å; Y360-P368 WeakPolarHBondContact CA-O 3.33Å; Y360-P368 HydrophobicContact CD2-CB 3.86Å; Y360-P368 HydrophobicContact CE2-CB 3.47Å; Y360-P368 VanDerWaalsContact CE2-CB 3.47Å; Y360-P368 HydrophobicContact CE2-CG 4.06Å; N361-P368 PolarHBondContact N-O 2.9Å; D364-P368 WeakPolarHBondContact O-CA 3.45Å; D364-P368 VanDerWaalsContact O-CB 3.26Å; D364-P368 WeakPolarHBondContact O-CB 3.34Å
369F86.6Confident86.9Confident77 Ų7772.2 Ų72.234%0.33835%0.348SS..EExtended strand (participates in β ladder)trans-111.8129.3-171.8-69.3-70.7000111.1L358 L359 Y360 E367 P392L358-F369 HydrophobicContact CD1-CB 3.94Å; L358-F369 HydrophobicContact CD1-CD1 3.99Å; L358-F369 HydrophobicContact CD1-CG 4.33Å; L358-F369 HydrophobicContact CD2-CD1 3.9Å; L358-F369 HydrophobicContact CD2-CE1 4.18Å; L358-F369 HydrophobicContact CG-CD1 4.01Å; L359-F369 WeakPolarHBondContact O-CA 3.49Å; Y360-F369 HydrophobicContact CD2-CD1 4.05Å; Y360-F369 AromaticContact CD2-CE1 3.65Å; Y360-F369 HydrophobicContact CD2-CE1 3.65Å; Y360-F369 AromaticContact CD2-CZ 3.96Å; Y360-F369 HydrophobicContact CD2-CZ 3.96Å; Y360-F369 HydrophobicContact CE2-CE1 4.4Å; Y360-F369 HydrophobicContact CE2-CZ 4.26Å; E367-F369 PolarHBondContact O-N 3.48Å; F369-P392 HydrophobicContact CB-CG 3.86Å; F369-P392 WeakPolarHBondContact O-CD 3.41Å; F369-P392 WeakPolarHBondContact O-CG 3.43Å
370M90.2Very high86.8Confident42 Ų4272.8 Ų72.821%0.20736%0.356CS..EExtended strand (participates in β ladder)trans-134.7172.6-179.3-59.9-176.376.500110.7L358 L359 S388 Q389L358-M370 CarbonylContact C-O 3.44Å; L358-M370 WeakPolarHBondContact CA-O 3.36Å; L359-M370 HydrophobicContact CB-CB 4.23Å; L359-M370 PolarHBondContact N-O 2.81Å; L359-M370 PolarHBondContact O-N 2.94Å; M370-S388 VanDerWaalsContact CE-C 3.49Å; M370-S388 VanDerWaalsContact CE-CB 3.41Å; M370-S388 WeakPolarHBondContact CE-O 3.35Å; M370-Q389 WeakPolarHBondContact CA-O 3.36Å; M370-Q389 WeakPolarHBondContact CB-O 3.35Å
371S92.8Very high87Confident0 Ų067.3 Ų67.30%034%0.339CS..EExtended strand (participates in β ladder)trans-111.3149.4168.3-700000111G356 G357 S388 Q389 P392G356-S371 WeakPolarHBondContact O-CB 3.44Å; G357-S371 WeakPolarHBondContact O-CB 3.25Å; G357-S371 PolarHBondContact O-OG 3.36Å; S371-S388 WeakPolarHBondContact O-CB 3.36Å; S371-Q389 VanDerWaalsContact CB-OE1 3.28Å; S371-Q389 PolarHBondContact N-O 2.97Å; S371-Q389 PolarHBondContact O-N 3.24Å; S371-Q389 PolarHBondContact OG-OE1 2.91Å; S371-P392 WeakPolarHBondContact OG-CA 3.35Å; S371-P392 WeakPolarHBondContact OG-CB 3.45Å
372Y94.9Very high87.5Confident78 Ų7869.3 Ų69.331%0.30635%0.347SS..EExtended strand (participates in β ladder)trans-59.1140173.1-67.5-93.9000109.5P339 V355 G356 L359P339-Y372 HydrophobicContact CB-CD2 4.23Å; P339-Y372 HydrophobicContact CG-CD2 3.98Å; P339-Y372 HydrophobicContact CG-CG 4.29Å; V355-Y372 WeakPolarHBondContact CA-O 3.23Å; G356-Y372 PolarHBondContact N-O 3.44Å; G356-Y372 VanDerWaalsContact N-O 3.09Å; G356-Y372 WeakPolarHBondContact O-CB 3.49Å; G356-Y372 PolarHBondContact O-N 3.18Å; L359-Y372 HydrophobicContact CD1-CD1 3.65Å; L359-Y372 HydrophobicContact CD1-CD2 4.06Å; L359-Y372 HydrophobicContact CD1-CE1 3.93Å; L359-Y372 HydrophobicContact CD1-CE2 4.3Å; L359-Y372 HydrophobicContact CD1-CG 3.72Å; L359-Y372 HydrophobicContact CD2-CD1 4.01Å; L359-Y372 HydrophobicContact CD2-CD2 4.37Å; L359-Y372 HydrophobicContact CD2-CE1 3.36Å; L359-Y372 HydrophobicContact CD2-CE2 3.77Å; L359-Y372 HydrophobicContact CD2-CG 4.47Å; L359-Y372 VanDerWaalsContact CD2-OH 3.32Å; L359-Y372 WeakPolarHBondContact CD2-OH 3.44Å; L359-Y372 HydrophobicContact CG-CD1 3.89Å; L359-Y372 HydrophobicContact CG-CD2 3.73Å; L359-Y372 HydrophobicContact CG-CE1 3.72Å; L359-Y372 HydrophobicContact CG-CE2 3.53Å; L359-Y372 HydrophobicContact CG-CG 3.9Å
373F97.1Very high88.3Confident2 Ų262.1 Ų62.11%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-132.3115.6167.7-177.8-141.7000107.6F353 V354 V355 M386 P387 I405 Y426 W433F353-F373 HydrophobicContact CB-CE2 4.03Å; F353-F373 AromaticContact CD1-CE2 3.57Å; F353-F373 HydrophobicContact CD1-CE2 3.57Å; F353-F373 AromaticContact CD1-CZ 3.59Å; F353-F373 HydrophobicContact CD1-CZ 3.59Å; F353-F373 HydrophobicContact CE1-CE2 4.43Å; F353-F373 HydrophobicContact CE1-CZ 4.01Å; F353-F373 HydrophobicContact CG-CE2 4.14Å; F353-F373 HydrophobicContact CG-CZ 4.42Å; V354-F373 WeakPolarHBondContact O-CA 3.43Å; V355-F373 HydrophobicContact CG2-CD2 3.47Å; V355-F373 VanDerWaalsContact CG2-CD2 3.47Å; V355-F373 HydrophobicContact CG2-CE2 3.87Å; V355-F373 HydrophobicContact CG2-CG 4.43Å; F373-M386 HydrophobicContact CB-CB 4.28Å; F373-M386 HydrophobicContact CD1-CB 3.3Å; F373-M386 HydrophobicContact CD1-CG 4.2Å; F373-M386 HydrophobicContact CE1-CB 3.74Å; F373-M386 HydrophobicContact CE1-CG 4.28Å; F373-M386 HydrophobicContact CG-CB 3.87Å; F373-M386 WeakPolarHBondContact O-CA 3.48Å; F373-M386 WeakPolarHBondContact O-CB 3.43Å; F373-M386 PolarHBondContact O-N 3.23Å; F373-P387 WeakPolarHBondContact CD1-O 3.38Å; F373-I405 HydrophobicContact CE2-CD1 4.31Å; F373-I405 HydrophobicContact CZ-CD1 3.88Å; F373-Y426 HydrophobicContact CD1-CD2 4.4Å; F373-Y426 HydrophobicContact CD1-CE2 4.45Å; F373-Y426 AromaticContact CE1-CD1 3.51Å; F373-Y426 HydrophobicContact CE1-CD1 3.51Å; F373-Y426 AromaticContact CE1-CD2 3.79Å; F373-Y426 HydrophobicContact CE1-CD2 3.79Å; F373-Y426 AromaticContact CE1-CE1 3.62Å; F373-Y426 HydrophobicContact CE1-CE1 3.62Å; F373-Y426 AromaticContact CE1-CE2 3.9Å; F373-Y426 HydrophobicContact CE1-CE2 3.9Å; F373-Y426 AromaticContact CE1-CG 3.57Å; F373-Y426 HydrophobicContact CE1-CG 3.57Å; F373-Y426 AromaticContact CE1-CZ 3.8Å; F373-Y426 AromaticContact CZ-CD1 3.76Å; F373-Y426 HydrophobicContact CZ-CD1 3.76Å; F373-Y426 HydrophobicContact CZ-CE1 4.12Å; F373-Y426 HydrophobicContact CZ-CG 4.04Å; F373-W433 HydrophobicContact CB-CZ2 4.3Å; F373-W433 AromaticContact CD1-CZ2 3.58Å; F373-W433 HydrophobicContact CD1-CZ2 3.58Å; F373-W433 HydrophobicContact CD2-CZ2 4.27Å; F373-W433 AromaticContact CE1-CZ2 3.87Å; F373-W433 HydrophobicContact CE1-CZ2 3.87Å; F373-W433 HydrophobicContact CE2-CZ2 4.48Å; F373-W433 AromaticContact CG-CZ2 3.81Å; F373-W433 HydrophobicContact CG-CZ2 3.81Å; F373-W433 HydrophobicContact CZ-CZ2 4.31Å
374L97.3Very high89Confident7 Ų757.1 Ų57.14%0.03729%0.291CS..EExtended strand (participates in β ladder)trans-125146-173-52.5174.5000109.7I338 F353 V354 W383 L384I338-L374 HydrophobicContact CG1-CD1 4.3Å; F353-L374 CarbonylContact C-O 3.49Å; F353-L374 VanDerWaalsContact CA-O 3.29Å; F353-L374 WeakPolarHBondContact CA-O 3.41Å; V354-L374 HydrophobicContact CB-CB 4.37Å; V354-L374 PolarHBondContact N-O 3.26Å; V354-L374 PolarHBondContact O-N 3.4Å; L374-W383 HydrophobicContact CB-CE3 3.78Å; L374-W383 HydrophobicContact CB-CZ3 4.46Å; L374-W383 HydrophobicContact CD1-CB 4.48Å; L374-L384 CarbonylContact C-O 3.5Å; L374-L384 VanDerWaalsContact CA-O 3.31Å; L374-L384 WeakPolarHBondContact CA-O 3.46Å
375Q97.2Very high89.6Confident41 Ų4157.1 Ų57.119%0.19231%0.307CS..EExtended strand (participates in β ladder)trans-120.6132.3171.6-177.5177.5-4.800109.5V352 F353 L384 M386V352-Q375 WeakPolarHBondContact O-CA 3.47Å; F353-Q375 HydrophobicContact CD1-CB 3.83Å; F353-Q375 HydrophobicContact CD1-CG 4.03Å; F353-Q375 HydrophobicContact CE1-CB 3.66Å; F353-Q375 HydrophobicContact CE1-CG 3.57Å; F353-Q375 HydrophobicContact CZ-CB 4.47Å; F353-Q375 HydrophobicContact CZ-CG 3.89Å; Q375-L384 PolarHBondContact N-O 3.19Å; Q375-L384 PolarHBondContact O-N 3.39Å; Q375-M386 HydrophobicContact CB-CG 3.79Å; Q375-M386 HydrophobicContact CB-SD 3.92Å
376F95.9Very high90.5Very high9 Ų949.8 Ų49.84%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-77.7130.6175.7-178.6-116.7000111.2V332 V352 P378 W383 L605V332-F376 HydrophobicContact CG1-CE1 3.73Å; V332-F376 HydrophobicContact CG1-CE2 3.87Å; V332-F376 HydrophobicContact CG1-CZ 3.23Å; V352-F376 HydrophobicContact CB-CB 4.01Å; V352-F376 PolarHBondContact O-N 2.87Å; F376-P378 HydrophobicContact CD1-CB 4.45Å; F376-P378 HydrophobicContact CE1-CB 3.94Å; F376-W383 HydrophobicContact CB-CD2 4.24Å; F376-W383 HydrophobicContact CB-CE3 3.98Å; F376-W383 HydrophobicContact CB-CH2 3.9Å; F376-W383 HydrophobicContact CB-CZ2 4.15Å; F376-W383 HydrophobicContact CB-CZ3 3.81Å; F376-W383 HydrophobicContact CD2-CD2 4.27Å; F376-W383 AromaticContact CD2-CE2 3.96Å; F376-W383 HydrophobicContact CD2-CZ2 4.3Å; F376-W383 HydrophobicContact CG-CZ2 4.45Å; F376-L605 HydrophobicContact CE1-CD2 4.34Å
377D91.1Very high91.3Very high44 Ų4445.6 Ų45.624%0.23526%0.257CS..EExtended strand (participates in β ladder)trans-98.5108.7168.5-177.24.4000110.3V379 S380 S381 E382 L384D377-V379 PolarHBondContact O-N 3.15Å; D377-V379 WeakPolarHBondContact OD1-CB 3.42Å; D377-V379 PolarHBondContact OD1-N 2.95Å; D377-S380 PolarHBondContact OD2-OG 3.32Å; D377-S381 WeakPolarHBondContact O-CA 3.2Å; D377-S381 PolarHBondContact O-N 3.37Å; D377-E382 PolarHBondContact N-O 3.02Å; D377-E382 PolarHBondContact O-N 3.26Å; D377-L384 HydrophobicContact CB-CD1 3.92Å; D377-L384 HydrophobicContact CB-CG 4.11Å
378P86.8Confident92Very high66 Ų6642.9 Ų42.943%0.42925%0.248SC..THydrogen-bonded Turntrans-70.8-11.918030.9-36.6000113.7F376 L605F376-P378 HydrophobicContact CD1-CB 4.45Å; F376-P378 HydrophobicContact CE1-CB 3.94Å; P378-L605 HydrophobicContact CB-CD2 4.44Å
379V82.8Confident92.4Very high47 Ų4741.9 Ų41.929%0.28524%0.242SC..THydrogen-bonded Turntrans-81.2-49.8178.5179.10000110.6D377D377-V379 PolarHBondContact O-N 3.15Å; D377-V379 WeakPolarHBondContact OD1-CB 3.42Å; D377-V379 PolarHBondContact OD1-N 2.95Å
380S85.9Confident92.5Very high56 Ų5639.8 Ų39.839%0.39224%0.236SC..THydrogen-bonded Turntrans-89.3-11.2179.468.50000113.8D377 E382D377-S380 PolarHBondContact OD2-OG 3.32Å; S380-E382 PolarHBondContact O-N 3.38Å; S380-E382 WeakPolarHBondContact OG-CB 3.41Å; S380-E382 PolarHBondContact OG-N 3Å
381S90.6Very high92.4Very high33 Ų3339.5 Ų39.523%0.23124%0.235CC..THydrogen-bonded Turntrans61.330.4-173-66.60000113.7V332 S333 D377V332-S381 VanDerWaalsContact O-CB 3.22Å; V332-S381 WeakPolarHBondContact O-CB 3.28Å; V332-S381 PolarHBondContact O-OG 2.77Å; S333-S381 VanDerWaalsContact CB-O 3.25Å; S333-S381 WeakPolarHBondContact CB-O 3.32Å; S333-S381 PolarHBondContact OG-O 3.29Å; D377-S381 WeakPolarHBondContact O-CA 3.2Å; D377-S381 PolarHBondContact O-N 3.37Å
382E92.4Very high92.3Very high96 Ų9639.5 Ų39.545%0.44924%0.235SC..EExtended strand (participates in β ladder)trans-115.4158.1-177.8-66.9-62.2155.800112.1D377 S380D377-E382 PolarHBondContact N-O 3.02Å; D377-E382 PolarHBondContact O-N 3.26Å; S380-E382 PolarHBondContact O-N 3.38Å; S380-E382 WeakPolarHBondContact OG-CB 3.41Å; S380-E382 PolarHBondContact OG-N 3Å
383W96Very high92.2Very high7 Ų735.9 Ų35.93%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-96.4116.5171.1-73.188.6000109.8I314 T319 I338 V352 V354 L374 F376I314-W383 HydrophobicContact CD1-CH2 3.88Å; I314-W383 HydrophobicContact CD1-CZ2 4.15Å; I314-W383 HydrophobicContact CG1-CH2 4.43Å; I314-W383 HydrophobicContact CG1-CZ2 4.2Å; I314-W383 HydrophobicContact CG2-CH2 4.21Å; I314-W383 HydrophobicContact CG2-CZ2 3.84Å; T319-W383 HydrophobicContact CG2-CZ2 4.47Å; T319-W383 PolarHBondContact OG1-NE1 3.16Å; I338-W383 HydrophobicContact CD1-CD2 4.23Å; I338-W383 HydrophobicContact CD1-CG 4.43Å; I338-W383 HydrophobicContact CD1-CZ2 3.96Å; I338-W383 HydrophobicContact CG1-CD2 4.3Å; I338-W383 HydrophobicContact CG1-CG 4.41Å; V352-W383 HydrophobicContact CG1-CH2 3.81Å; V352-W383 HydrophobicContact CG1-CZ3 4.38Å; V354-W383 HydrophobicContact CB-CH2 4.39Å; V354-W383 HydrophobicContact CB-CZ3 3.93Å; V354-W383 HydrophobicContact CG2-CE3 4.33Å; V354-W383 HydrophobicContact CG2-CH2 3.39Å; V354-W383 HydrophobicContact CG2-CZ2 4.3Å; V354-W383 HydrophobicContact CG2-CZ3 3.41Å; V354-W383 VanDerWaalsContact CG2-CZ3 3.41Å; L374-W383 HydrophobicContact CB-CE3 3.78Å; L374-W383 HydrophobicContact CB-CZ3 4.46Å; L374-W383 HydrophobicContact CD1-CB 4.48Å; F376-W383 HydrophobicContact CB-CD2 4.24Å; F376-W383 HydrophobicContact CB-CE3 3.98Å; F376-W383 HydrophobicContact CB-CH2 3.9Å; F376-W383 HydrophobicContact CB-CZ2 4.15Å; F376-W383 HydrophobicContact CB-CZ3 3.81Å; F376-W383 HydrophobicContact CD2-CD2 4.27Å; F376-W383 AromaticContact CD2-CE2 3.96Å; F376-W383 HydrophobicContact CD2-CZ2 4.3Å; F376-W383 HydrophobicContact CG-CZ2 4.45Å
384L94.9Very high92.1Very high79 Ų7937.6 Ų37.641%0.41423%0.233SC..EExtended strand (participates in β ladder)trans-88.4130.2-179.6-56.6-179.3000110.4L374 Q375 D377 M386L374-L384 CarbonylContact C-O 3.5Å; L374-L384 VanDerWaalsContact CA-O 3.31Å; L374-L384 WeakPolarHBondContact CA-O 3.46Å; Q375-L384 PolarHBondContact N-O 3.19Å; Q375-L384 PolarHBondContact O-N 3.39Å; D377-L384 HydrophobicContact CB-CD1 3.92Å; D377-L384 HydrophobicContact CB-CG 4.11Å; L384-M386 PolarHBondContact O-N 3.02Å
385G94.5Very high92Very high66 Ų6640.9 Ų40.968%0.6825%0.25SC*.EExtended strand (participates in β ladder)trans-67.5122.5172.300000111.9
386M95.3Very high92.1Very high31 Ų3139.5 Ų39.515%0.15324%0.244CC..PPolyproline II helixtrans-102.9165.7174.8-57.2-58.3-74.400110F373 Q375 L384 S388 Y426F373-M386 HydrophobicContact CB-CB 4.28Å; F373-M386 HydrophobicContact CD1-CB 3.3Å; F373-M386 HydrophobicContact CD1-CG 4.2Å; F373-M386 HydrophobicContact CE1-CB 3.74Å; F373-M386 HydrophobicContact CE1-CG 4.28Å; F373-M386 HydrophobicContact CG-CB 3.87Å; F373-M386 WeakPolarHBondContact O-CA 3.48Å; F373-M386 WeakPolarHBondContact O-CB 3.43Å; F373-M386 PolarHBondContact O-N 3.23Å; Q375-M386 HydrophobicContact CB-CG 3.79Å; Q375-M386 HydrophobicContact CB-SD 3.92Å; L384-M386 PolarHBondContact O-N 3.02Å; M386-S388 PolarHBondContact O-N 3.16Å; M386-Y426 HydrophobicContact CE-CE1 4.41Å; M386-Y426 WeakPolarHBondContact CE-OH 3.24Å
387P93.8Very high92.2Very high60 Ų6039.3 Ų39.339%0.3924%0.244SC..SBendtrans-50.1118.2173.8-28.336.5000110.3F373 Y426 W433F373-P387 WeakPolarHBondContact CD1-O 3.38Å; P387-Y426 HydrophobicContact CB-CE2 4.3Å; P387-Y426 HydrophobicContact CG-CE2 4.16Å; P387-W433 PolarHBondContact O-NE1 2.87Å
388S93.3Very high92.5Very high38 Ų3838 Ų3827%0.26624%0.237SC..PPolyproline II helixtrans-62.1150.4-169.7-59.10000111.7M370 S371 M386 P390 W433M370-S388 VanDerWaalsContact CE-C 3.49Å; M370-S388 VanDerWaalsContact CE-CB 3.41Å; M370-S388 WeakPolarHBondContact CE-O 3.35Å; S371-S388 WeakPolarHBondContact O-CB 3.36Å; M386-S388 PolarHBondContact O-N 3.16Å; S388-P390 WeakPolarHBondContact O-CD 3.41Å; S388-W433 PolarHBondContact O-NE1 3.09Å
389Q90.8Very high93Very high0 Ų034.9 Ų34.90%022%0.216CC..EExtended strand (participates in β ladder)trans-74.4121.6-178-177.3-93.4-17.800109.6V355 M370 S371 N391 W433V355-Q389 HydrophobicContact CG1-CB 4.2Å; V355-Q389 HydrophobicContact CG1-CG 4.26Å; M370-Q389 WeakPolarHBondContact CA-O 3.36Å; M370-Q389 WeakPolarHBondContact CB-O 3.35Å; S371-Q389 VanDerWaalsContact CB-OE1 3.28Å; S371-Q389 PolarHBondContact N-O 2.97Å; S371-Q389 PolarHBondContact O-N 3.24Å; S371-Q389 PolarHBondContact OG-OE1 2.91Å; Q389-N391 PolarHBondContact NE2-O 3.15Å; Q389-N391 PolarHBondContact OE1-O 3.38Å; Q389-W433 HydrophobicContact CB-CH2 4.18Å; Q389-W433 HydrophobicContact CB-CZ2 3.75Å; Q389-W433 HydrophobicContact CG-CH2 3.91Å; Q389-W433 HydrophobicContact CG-CZ2 4Å; Q389-W433 HydrophobicContact CG-CZ3 4.21Å
390P89.9Confident93.7Very high33 Ų3333.3 Ų33.321%0.21421%0.206CC..EExtended strand (participates in β ladder)trans-75.8159.4174.133.2-35.4000109.7S388 M424 W433S388-P390 WeakPolarHBondContact O-CD 3.41Å; P390-M424 HydrophobicContact CG-CE 3.7Å; P390-W433 HydrophobicContact CG-CB 4.09Å; P390-W433 HydrophobicContact CG-CG 4.32Å
391N87.4Confident94.1Very high36 Ų3631 Ų3119%0.19319%0.19CC..SBendtrans61.171-174.9-64.1-39.7000113.1Q389 R393Q389-N391 PolarHBondContact NE2-O 3.15Å; Q389-N391 PolarHBondContact OE1-O 3.38Å; N391-R393 PolarHBondContact O-N 2.83Å; N391-R393 PolarHBondContact O-NE 3.34Å
392P90.1Very high94Very high0 Ų036.6 Ų36.60%021%0.212CC..  trans-61.5132.5-174.725.1-35.1000111.1L358 F369 S371 L413L358-P392 HydrophobicContact CD1-CB 3.56Å; L358-P392 HydrophobicContact CD1-CG 3.84Å; F369-P392 HydrophobicContact CB-CG 3.86Å; F369-P392 WeakPolarHBondContact O-CD 3.41Å; F369-P392 WeakPolarHBondContact O-CG 3.43Å; S371-P392 WeakPolarHBondContact OG-CA 3.35Å; S371-P392 WeakPolarHBondContact OG-CB 3.45Å; P392-L413 HydrophobicContact CB-CB 4.43Å; P392-L413 HydrophobicContact CB-CD1 4.36Å; P392-L413 PolarHBondContact O-N 2.95Å; P392-L413 VanDerWaalsContact O-N 3.09Å
393R93.6Very high93.9Very high2 Ų235 Ų351%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-148160.7-169.556.5-177.177.5-169.26.3112N391 F396 V407 G409 K411 L420 S422 M424N391-R393 PolarHBondContact O-N 2.83Å; N391-R393 PolarHBondContact O-NE 3.34Å; R393-F396 HydrophobicContact CB-CD1 4.28Å; R393-F396 HydrophobicContact CG-CB 4.43Å; R393-F396 HydrophobicContact CG-CD1 3.59Å; R393-F396 HydrophobicContact CG-CE1 4.09Å; R393-F396 HydrophobicContact CG-CG 4.16Å; R393-F396 VanDerWaalsContact O-CE1 3.25Å; R393-F396 WeakPolarHBondContact O-CE1 3.32Å; R393-V407 HydrophobicContact CG-CG1 4.46Å; R393-G409 WeakPolarHBondContact CD-O 3.5Å; R393-G409 PolarHBondContact NH1-O 3.47Å; R393-K411 CarbonylContact C-O 3.56Å; R393-K411 WeakPolarHBondContact CA-O 3.25Å; R393-K411 VanDerWaalsContact CB-O 3.3Å; R393-K411 WeakPolarHBondContact CB-O 3.33Å; R393-L420 HydrophobicContact CB-CD1 4.07Å; R393-S422 PolarHBondContact NH1-O 3.31Å; R393-S422 VanDerWaalsContact NH1-O 3.13Å; R393-S422 PolarHBondContact NH1-OG 3.07Å; R393-S422 VanDerWaalsContact NH1-OG 3.07Å; R393-S422 PolarHBondContact NH2-OG 3.15Å; R393-M424 VanDerWaalsContact NH2-CG 3.31Å
394C94.6Very high93.9Very high38 Ų3836 Ų3626%0.25722%0.215SC..EExtended strand (participates in β ladder)trans-131.5167.8172.668.20000110.8F396 G410 K411 L413C394-F396 PolarHBondContact O-N 3.03Å; C394-F396 VanDerWaalsContact O-N 3.07Å; C394-G410 CarbonylContact O-C 3.58Å; C394-G410 VanDerWaalsContact O-CA 3.32Å; C394-G410 WeakPolarHBondContact O-CA 3.49Å; C394-K411 PolarHBondContact N-O 3.24Å; C394-K411 PolarHBondContact O-N 3.05Å; C394-L413 HydrophobicContact CB-CD1 4.48Å; C394-L413 HydrophobicContact CB-CD2 3.94Å; C394-L413 HydrophobicContact CB-CG 4.26Å
395L96.1Very high94.1Very high76 Ų7632.3 Ų32.340%0.39820%0.195SC..SBendtrans53.731.2178.5-53.4177.3000113.3Y444 G445 L493L395-Y444 HydrophobicContact CB-CD2 4.44Å; L395-Y444 HydrophobicContact CD1-CD2 3.8Å; L395-Y444 HydrophobicContact CD1-CE2 4.36Å; L395-G445 PolarHBondContact O-N 3.47Å; L395-L493 HydrophobicContact CD2-CD2 4.02Å
396F97.8Very high94.2Very high13 Ų1329.4 Ų29.46%0.05716%0.164CC..  trans-89.2169.2174.156.8-92.5000110.2V355 R393 C394 L398 V407 V408V355-F396 HydrophobicContact CB-CE2 4.06Å; V355-F396 HydrophobicContact CB-CZ 3.89Å; V355-F396 HydrophobicContact CG1-CE2 4.04Å; V355-F396 HydrophobicContact CG1-CZ 3.65Å; R393-F396 HydrophobicContact CB-CD1 4.28Å; R393-F396 HydrophobicContact CG-CB 4.43Å; R393-F396 HydrophobicContact CG-CD1 3.59Å; R393-F396 HydrophobicContact CG-CE1 4.09Å; R393-F396 HydrophobicContact CG-CG 4.16Å; R393-F396 VanDerWaalsContact O-CE1 3.25Å; R393-F396 WeakPolarHBondContact O-CE1 3.32Å; C394-F396 PolarHBondContact O-N 3.03Å; C394-F396 VanDerWaalsContact O-N 3.07Å; F396-L398 HydrophobicContact CD2-CD2 4.17Å; F396-L398 HydrophobicContact CD2-CG 4.24Å; F396-L398 HydrophobicContact CE2-CD1 4.32Å; F396-L398 HydrophobicContact CE2-CD2 3.78Å; F396-L398 HydrophobicContact CE2-CG 3.84Å; F396-V407 HydrophobicContact CB-CG1 4.25Å; F396-V407 HydrophobicContact CD2-CG1 3.5Å; F396-V407 VanDerWaalsContact CD2-CG1 3.5Å; F396-V407 HydrophobicContact CE2-CG1 3.91Å; F396-V407 HydrophobicContact CG-CG1 3.86Å; F396-V408 WeakPolarHBondContact CA-O 3.39Å; F396-V408 WeakPolarHBondContact CB-O 3.4Å
397G97.8Very high94.4Very high5 Ų528 Ų285%0.05216%0.157CC..EExtended strand (participates in β ladder)trans-101.2151.217100000112.9V407 V408 H446 T448G397-V407 WeakPolarHBondContact O-CA 3.25Å; G397-V408 PolarHBondContact N-O 3.23Å; G397-V408 PolarHBondContact O-N 3.11Å; G397-H446 PolarHBondContact N-NE2 3.29Å; G397-T448 WeakPolarHBondContact CA-OG1 3.38Å
398L98.1Very high94.6Very high16 Ų1625.1 Ų25.18%0.08414%0.138CC..EExtended strand (participates in β ladder)trans-115142.5170.6-70.5178.3000110.9S343 L345 V355 F396 I405 F406 V407S343-L398 WeakPolarHBondContact O-CD1 3.39Å; L345-L398 HydrophobicContact CB-CB 4.15Å; L345-L398 HydrophobicContact CB-CD1 4.09Å; L345-L398 HydrophobicContact CD2-CB 4.44Å; V355-L398 HydrophobicContact CB-CD1 4.4Å; V355-L398 HydrophobicContact CB-CD2 4.39Å; V355-L398 HydrophobicContact CG2-CD1 4.36Å; V355-L398 HydrophobicContact CG2-CD2 4.07Å; F396-L398 HydrophobicContact CD2-CD2 4.17Å; F396-L398 HydrophobicContact CD2-CG 4.24Å; F396-L398 HydrophobicContact CE2-CD1 4.32Å; F396-L398 HydrophobicContact CE2-CD2 3.78Å; F396-L398 HydrophobicContact CE2-CG 3.84Å; L398-I405 HydrophobicContact CD2-CG2 4.46Å; L398-F406 WeakPolarHBondContact CA-O 3.31Å; L398-V407 HydrophobicContact CD2-CB 4.38Å; L398-V407 HydrophobicContact CD2-CG2 3.75Å
399A97.6Very high94.8Very high0 Ų023.3 Ų23.30%013%0.126CC..EExtended strand (participates in β ladder)trans-150.1151.7173.200000111.1F406 T448 A450 V455A399-F406 HydrophobicContact CB-CB 4.33Å; A399-F406 PolarHBondContact N-O 3.05Å; A399-F406 VanDerWaalsContact N-O 3.15Å; A399-F406 PolarHBondContact O-N 2.97Å; A399-T448 HydrophobicContact CB-CG2 3.84Å; A399-A450 HydrophobicContact CB-CB 4.08Å; A399-V455 HydrophobicContact CB-CG1 3.76Å; A399-V455 HydrophobicContact CB-CG2 4.08Å
400E96.8Very high95.1Very high15 Ų1523.3 Ų23.37%0.0713%0.126CC..EExtended strand (participates in β ladder)trans-110.4129169.6-177.9-133.9-172.100109.5L345 T347 K348 Q349 S404 R428 A450L345-E400 HydrophobicContact CD2-CB 4.09Å; T347-E400 HydrophobicContact CG2-CB 4.37Å; T347-E400 HydrophobicContact CG2-CG 4.01Å; K348-E400 PolarHBondContact N-OE2 3.42Å; Q349-E400 PolarHBondContact OE1-OE1 3.01Å; E400-S404 WeakPolarHBondContact CA-O 3.43Å; E400-R428 IonicContact OE1-CZ 2.72Å; E400-R428 IonicContact OE1-NH2 2.73Å; E400-R428 PolarHBondContact OE1-NH2 3.41Å; E400-A450 WeakPolarHBondContact O-CB 3.46Å
401V95.2Very high95.2Very high7 Ų723 Ų234%0.04212%0.121CC..EExtended strand (participates in β ladder)trans-130.5127.4161.5176.30000109.2N403 S404 F406 A450 G453 V455 P476V401-N403 PolarHBondContact O-N 3.11Å; V401-S404 PolarHBondContact N-O 3.42Å; V401-S404 PolarHBondContact O-N 2.96Å; V401-F406 HydrophobicContact CB-CE2 4.02Å; V401-A450 HydrophobicContact CG2-CB 4.28Å; V401-G453 WeakPolarHBondContact CG1-O 3.42Å; V401-V455 HydrophobicContact CG2-CG2 3.5Å; V401-V455 VanDerWaalsContact CG2-CG2 3.5Å; V401-P476 HydrophobicContact CB-CG 4.38Å; V401-P476 HydrophobicContact CG1-CG 3.69Å
402E88.9Confident95.4Very high151 Ų15123.5 Ų23.571%0.70612%0.122SC*.THydrogen-bonded Turntrans49.9-121.7-176.8-61.3-177.3169.600110.8S404 R428E402-S404 VanDerWaalsContact C-N 3.34Å; E402-R428 PolarHBondContact O-NH2 3.46Å
403N90.4Very high95.2Very high62 Ų6226.9 Ų26.933%0.33214%0.14SC..THydrogen-bonded Turntrans-92.68-178.5-156.948.3000114.1V401 D427 R428 Q429V401-N403 PolarHBondContact O-N 3.11Å; N403-D427 PolarHBondContact ND2-OD1 3.47Å; N403-R428 VanDerWaalsContact O-CB 3.28Å; N403-R428 WeakPolarHBondContact O-CB 3.46Å; N403-R428 VanDerWaalsContact O-CG 3.27Å; N403-R428 WeakPolarHBondContact O-CG 3.43Å; N403-R428 PolarHBondContact O-N 3.36Å; N403-R428 VanDerWaalsContact O-N 3.13Å; N403-R428 PolarHBondContact O-NE 3.49Å; N403-R428 VanDerWaalsContact O-NE 3.11Å; N403-R428 PolarHBondContact OD1-NE 3.46Å; N403-Q429 VanDerWaalsContact ND2-CB 3.35Å; N403-Q429 WeakPolarHBondContact ND2-CB 3.26Å; N403-Q429 PolarHBondContact ND2-N 3.41Å
404S95.8Very high94.4Very high28 Ų2829.5 Ų29.520%0.19615%0.151CC..EExtended strand (participates in β ladder)trans-115139-169.9-72.40000113E400 V401 E402 Y426E400-S404 WeakPolarHBondContact CA-O 3.43Å; V401-S404 PolarHBondContact N-O 3.42Å; V401-S404 PolarHBondContact O-N 2.96Å; E402-S404 VanDerWaalsContact C-N 3.34Å; S404-Y426 WeakPolarHBondContact CA-O 3.5Å
405I97.9Very high93Very high1 Ų137.1 Ų37.11%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-103.7125172.5-64165.5000108.7L345 F353 F373 L398 I425 Y426 R428L345-I405 HydrophobicContact CD2-CG1 4.27Å; L345-I405 HydrophobicContact CD2-CG2 3.94Å; F353-I405 HydrophobicContact CB-CD1 4.33Å; F353-I405 HydrophobicContact CD1-CD1 3.77Å; F353-I405 HydrophobicContact CD2-CD1 3.54Å; F353-I405 HydrophobicContact CE1-CD1 3.87Å; F353-I405 HydrophobicContact CE2-CD1 3.66Å; F353-I405 HydrophobicContact CG-CD1 3.6Å; F353-I405 HydrophobicContact CZ-CD1 3.82Å; F373-I405 HydrophobicContact CE2-CD1 4.31Å; F373-I405 HydrophobicContact CZ-CD1 3.88Å; L398-I405 HydrophobicContact CD2-CG2 4.46Å; I405-I425 CarbonylContact O-C 3.56Å; I405-I425 WeakPolarHBondContact O-CA 3.21Å; I405-Y426 HydrophobicContact CD1-CD1 4.5Å; I405-Y426 PolarHBondContact N-O 2.84Å; I405-Y426 PolarHBondContact O-N 2.96Å; I405-R428 HydrophobicContact CD1-CG 4.35Å
406F98.1Very high91.6Very high6 Ų635.8 Ų35.83%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-100.1132-178.8-71.8-108.1000110.1L398 A399 V401 V408 V423 M424 I425 V455 Y474 P476L398-F406 WeakPolarHBondContact CA-O 3.31Å; A399-F406 HydrophobicContact CB-CB 4.33Å; A399-F406 PolarHBondContact N-O 3.05Å; A399-F406 VanDerWaalsContact N-O 3.15Å; A399-F406 PolarHBondContact O-N 2.97Å; V401-F406 HydrophobicContact CB-CE2 4.02Å; F406-V408 HydrophobicContact CB-CG2 3.98Å; F406-V423 HydrophobicContact CD1-CG1 3.78Å; F406-M424 CarbonylContact C-O 3.58Å; F406-M424 WeakPolarHBondContact CA-O 3.32Å; F406-I425 HydrophobicContact CD1-CD1 4.16Å; F406-I425 HydrophobicContact CD1-CG1 3.71Å; F406-I425 HydrophobicContact CE1-CD1 3.49Å; F406-I425 VanDerWaalsContact CE1-CD1 3.49Å; F406-I425 HydrophobicContact CE1-CG1 3.57Å; F406-I425 HydrophobicContact CE2-CG1 4.49Å; F406-I425 HydrophobicContact CG-CG1 4.25Å; F406-I425 HydrophobicContact CZ-CD1 3.76Å; F406-I425 HydrophobicContact CZ-CG1 3.97Å; F406-V455 HydrophobicContact CD1-CG2 4.49Å; F406-V455 HydrophobicContact CD2-CG2 4.4Å; F406-V455 HydrophobicContact CG-CG2 4.33Å; F406-Y474 HydrophobicContact CE1-CD1 4.03Å; F406-Y474 AromaticContact CE1-CE1 3.77Å; F406-Y474 HydrophobicContact CE1-CE1 3.77Å; F406-Y474 HydrophobicContact CZ-CE1 4.27Å; F406-P476 HydrophobicContact CZ-CB 4.41Å
407V98.3Very high90.7Very high0 Ų041.4 Ų41.40%021%0.214CC..EExtended strand (participates in β ladder)trans-113.2107.4169.8-174.50000107.5R393 F396 G397 L398 V423 M424 W433R393-V407 HydrophobicContact CG-CG1 4.46Å; F396-V407 HydrophobicContact CB-CG1 4.25Å; F396-V407 HydrophobicContact CD2-CG1 3.5Å; F396-V407 VanDerWaalsContact CD2-CG1 3.5Å; F396-V407 HydrophobicContact CE2-CG1 3.91Å; F396-V407 HydrophobicContact CG-CG1 3.86Å; G397-V407 WeakPolarHBondContact O-CA 3.25Å; L398-V407 HydrophobicContact CD2-CB 4.38Å; L398-V407 HydrophobicContact CD2-CG2 3.75Å; V407-V423 WeakPolarHBondContact O-CA 3.38Å; V407-M424 HydrophobicContact CB-CB 4.14Å; V407-M424 PolarHBondContact N-O 3.33Å; V407-M424 PolarHBondContact O-N 3.29Å; V407-W433 HydrophobicContact CG2-CH2 3.58Å; V407-W433 HydrophobicContact CG2-CZ3 3.61Å
408V98.3Very high90.3Very high0 Ų045.6 Ų45.60%023%0.232CC..EExtended strand (participates in β ladder)trans-109.1125.3-163.5-177.60000111F396 G397 F406 V423 L439 H446 T448 V455 V457 W481F396-V408 WeakPolarHBondContact CA-O 3.39Å; F396-V408 WeakPolarHBondContact CB-O 3.4Å; G397-V408 PolarHBondContact N-O 3.23Å; G397-V408 PolarHBondContact O-N 3.11Å; F406-V408 HydrophobicContact CB-CG2 3.98Å; V408-V423 HydrophobicContact CG1-CG2 4.21Å; V408-V423 HydrophobicContact CG2-CG1 4.16Å; V408-L439 HydrophobicContact CG1-CD1 3.63Å; V408-L439 HydrophobicContact CG1-CD2 4.49Å; V408-L439 HydrophobicContact CG1-CG 4.2Å; V408-H446 PolarHBondContact O-CE1 3.05Å; V408-H446 PolarHBondContact O-NE2 3.36Å; V408-T448 HydrophobicContact CG2-CG2 4.37Å; V408-V455 HydrophobicContact CG2-CG1 4.4Å; V408-V457 HydrophobicContact CG1-CG2 3.63Å; V408-W481 HydrophobicContact CG1-CH2 4.45Å
409G97.3Very high90.2Very high0 Ų045 Ų450%023%0.23CC..  trans57.7-138.4175.700000113.2R393 L420 S422R393-G409 WeakPolarHBondContact CD-O 3.5Å; R393-G409 PolarHBondContact NH1-O 3.47Å; G409-L420 WeakPolarHBondContact CA-O 3.49Å; G409-S422 PolarHBondContact N-O 2.98Å; G409-S422 VanDerWaalsContact N-O 3.09Å
410G96.6Very high90.1Very high0 Ų046.3 Ų46.30%024%0.237CC..  trans103.1-166.4178.900000113.2C394 A419 L420 V443C394-G410 CarbonylContact O-C 3.58Å; C394-G410 VanDerWaalsContact O-CA 3.32Å; C394-G410 WeakPolarHBondContact O-CA 3.49Å; G410-A419 CarbonylContact O-C 3.41Å; G410-A419 WeakPolarHBondContact O-CA 3.32Å; G410-L420 PolarHBondContact O-N 3.15Å; G410-V443 PolarHBondContact N-O 3.26Å
411K93.5Very high90.1Very high26 Ų2647.3 Ų47.311%0.11325%0.245CC..EExtended strand (participates in β ladder)trans-117.5139.6171-81.6-169.3170.4-165.60111R393 C394 H418 Y444R393-K411 CarbonylContact C-O 3.56Å; R393-K411 WeakPolarHBondContact CA-O 3.25Å; R393-K411 VanDerWaalsContact CB-O 3.3Å; R393-K411 WeakPolarHBondContact CB-O 3.33Å; C394-K411 PolarHBondContact N-O 3.24Å; C394-K411 PolarHBondContact O-N 3.05Å; K411-H418 WeakPolarHBondContact CA-O 3.05Å; K411-Y444 HydrophobicContact CD-CD1 4.17Å; K411-Y444 HydrophobicContact CD-CD2 4.03Å; K411-Y444 HydrophobicContact CD-CE1 4.39Å; K411-Y444 HydrophobicContact CD-CE2 4.26Å; K411-Y444 HydrophobicContact CD-CG 3.98Å; K411-Y444 VanDerWaalsContact CE-CE2 3.46Å; K411-Y444 HydrophobicContact CG-CD1 3.86Å; K411-Y444 HydrophobicContact CG-CD2 4.12Å; K411-Y444 HydrophobicContact CG-CG 3.62Å
412Q90.9Very high90.2Very high47 Ų4748.2 Ų48.222%0.2225%0.252CS..EExtended strand (participates in β ladder)trans-66.9138.8174.1-157173.124.100110.9K414 H418 L420Q412-K414 VanDerWaalsContact C-N 3.31Å; Q412-K414 HydrophobicContact CG-CB 4.12Å; Q412-K414 HydrophobicContact CG-CG 4.32Å; Q412-H418 PolarHBondContact N-O 2.97Å; Q412-L420 HydrophobicContact CB-CD1 4.39Å; Q412-L420 HydrophobicContact CB-CD2 4.4Å
413L85.8Confident90.6Very high71 Ų7141.1 Ų41.137%0.37222%0.219SC..SBendtrans-86.73.5176.6-75170.8000113.8P392 C394P392-L413 HydrophobicContact CB-CB 4.43Å; P392-L413 HydrophobicContact CB-CD1 4.36Å; P392-L413 PolarHBondContact O-N 2.95Å; P392-L413 VanDerWaalsContact O-N 3.09Å; C394-L413 HydrophobicContact CB-CD1 4.48Å; C394-L413 HydrophobicContact CB-CD2 3.94Å; C394-L413 HydrophobicContact CB-CG 4.26Å
414K76.3Confident90.9Very high58 Ų5838.4 Ų38.425%0.25221%0.205SC..SBendtrans-90.6174.3176.6-62-177.1-178.5176.10110.9Q412 G416 E417Q412-K414 VanDerWaalsContact C-N 3.31Å; Q412-K414 HydrophobicContact CG-CB 4.12Å; Q412-K414 HydrophobicContact CG-CG 4.32Å; K414-G416 PolarHBondContact O-N 3.2Å; K414-E417 PolarHBondContact O-N 3.11Å
415E65.5Low91Very high197 Ų19738.6 Ų38.692%0.92120%0.203SC*.THydrogen-bonded Turntrans-52.3122.3177.2-68.9-176.8168.500111.6
416G66.5Low91Very high49 Ų4938.6 Ų38.651%0.50520%0.203SC..THydrogen-bonded Turntrans119.5-23.6178.100000115.5K414 H418K414-G416 PolarHBondContact O-N 3.2Å; G416-H418 PolarHBondContact O-N 3.18Å; G416-H418 VanDerWaalsContact O-N 3.14Å
417E79.5Confident90.9Very high130 Ų13040.4 Ų40.461%0.60721%0.213SC*.  trans45.538179.8-65-168.9176.300115.4K414K414-E417 PolarHBondContact O-N 3.11Å
418H90Very high90.7Very high93 Ų9341.4 Ų41.443%0.43122%0.217SC..  trans-69.6141.5-177.1-62.4-56.5000112.2K411 Q412 G416 E463K411-H418 WeakPolarHBondContact CA-O 3.05Å; Q412-H418 PolarHBondContact N-O 2.97Å; G416-H418 PolarHBondContact O-N 3.18Å; G416-H418 VanDerWaalsContact O-N 3.14Å; H418-E463 IonicContact CE1-OE1 3.87Å; H418-E463 IonicContact CG-OE1 3.88Å; H418-E463 IonicContact ND1-OE1 2.92Å; H418-E463 PolarHBondContact ND1-OE1 3.05Å
419A94.9Very high90.3Very high3 Ų349 Ų493%0.02525%0.252CS..BIsolated β-bridgetrans-66.3142.9168.900000110.4G410 E442 Y444 E463G410-A419 CarbonylContact O-C 3.41Å; G410-A419 WeakPolarHBondContact O-CA 3.32Å; A419-E442 HydrophobicContact CB-CB 3.81Å; A419-Y444 HydrophobicContact CB-CD1 3.87Å; A419-Y444 HydrophobicContact CB-CE1 4.46Å; A419-E463 VanDerWaalsContact CB-OE2 3.24Å; A419-E463 WeakPolarHBondContact CB-OE2 3.12Å; A419-E463 PolarHBondContact N-OE2 3.19Å
420L95.6Very high90.1Very high28 Ų2851.7 Ų51.715%0.14727%0.271CS..  trans-112.1142.3-175.6-60.1174000110.4R393 G409 G410 Q412 V443R393-L420 HydrophobicContact CB-CD1 4.07Å; G409-L420 WeakPolarHBondContact CA-O 3.49Å; G410-L420 PolarHBondContact O-N 3.15Å; Q412-L420 HydrophobicContact CB-CD1 4.39Å; Q412-L420 HydrophobicContact CB-CD2 4.4Å; L420-V443 PolarHBondContact O-N 3.25Å; L420-V443 VanDerWaalsContact O-N 3.1Å
421S96.8Very high90Very high36 Ų3657.7 Ų57.725%0.25230%0.297SS..  trans-99.4-14.6163.958.30000112.6P438 L439 Y441S421-P438 WeakPolarHBondContact O-CA 3.34Å; S421-L439 WeakPolarHBondContact CB-O 3.41Å; S421-L439 WeakPolarHBondContact O-CB 3.43Å; S421-L439 PolarHBondContact O-N 3.46Å; S421-Y441 VanDerWaalsContact CB-O 3.32Å; S421-Y441 WeakPolarHBondContact CB-O 3.42Å
422S97.1Very high90.1Very high27 Ų2763.2 Ų63.219%0.18932%0.321CS..  trans-60.5145.3-177.568.20000112.9R393 G409R393-S422 PolarHBondContact NH1-O 3.31Å; R393-S422 VanDerWaalsContact NH1-O 3.13Å; R393-S422 PolarHBondContact NH1-OG 3.07Å; R393-S422 VanDerWaalsContact NH1-OG 3.07Å; R393-S422 PolarHBondContact NH2-OG 3.15Å; G409-S422 PolarHBondContact N-O 2.98Å; G409-S422 VanDerWaalsContact N-O 3.09Å
423V97.9Very high90.4Very high1 Ų163 Ų631%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-123.5116.7177.5178.70000108.1F406 V407 V408 E435 S436 L439 W481F406-V423 HydrophobicContact CD1-CG1 3.78Å; V407-V423 WeakPolarHBondContact O-CA 3.38Å; V408-V423 HydrophobicContact CG1-CG2 4.21Å; V408-V423 HydrophobicContact CG2-CG1 4.16Å; V423-E435 WeakPolarHBondContact O-CA 3.4Å; V423-S436 PolarHBondContact O-N 2.78Å; V423-L439 HydrophobicContact CG2-CG 4.35Å; V423-W481 HydrophobicContact CG2-CZ2 4.07Å
424M97.6Very high90.8Very high6 Ų661.3 Ų61.33%0.0332%0.318CS..EExtended strand (participates in β ladder)trans-91.9142.7173.1-49.4-61.5-52.300109.3P390 R393 F406 V407 W433 G434 E435P390-M424 HydrophobicContact CG-CE 3.7Å; R393-M424 VanDerWaalsContact NH2-CG 3.31Å; F406-M424 CarbonylContact C-O 3.58Å; F406-M424 WeakPolarHBondContact CA-O 3.32Å; V407-M424 HydrophobicContact CB-CB 4.14Å; V407-M424 PolarHBondContact N-O 3.33Å; V407-M424 PolarHBondContact O-N 3.29Å; M424-W433 HydrophobicContact CB-CE3 3.87Å; M424-W433 HydrophobicContact CB-CZ3 3.9Å; M424-G434 CarbonylContact C-O 3.55Å; M424-G434 WeakPolarHBondContact CA-O 3.46Å; M424-G434 WeakPolarHBondContact CE-O 3.32Å; M424-E435 HydrophobicContact CE-CG 3.85Å; M424-E435 HydrophobicContact SD-CG 3.92Å
425I97.1Very high91.8Very high32 Ų3265.3 Ų65.316%0.16434%0.338CS..EExtended strand (participates in β ladder)trans-120.3132173.2-63.2168.8000108.9I405 F406 W433 G434 S436I405-I425 CarbonylContact O-C 3.56Å; I405-I425 WeakPolarHBondContact O-CA 3.21Å; F406-I425 HydrophobicContact CD1-CD1 4.16Å; F406-I425 HydrophobicContact CD1-CG1 3.71Å; F406-I425 HydrophobicContact CE1-CD1 3.49Å; F406-I425 VanDerWaalsContact CE1-CD1 3.49Å; F406-I425 HydrophobicContact CE1-CG1 3.57Å; F406-I425 HydrophobicContact CE2-CG1 4.49Å; F406-I425 HydrophobicContact CG-CG1 4.25Å; F406-I425 HydrophobicContact CZ-CD1 3.76Å; F406-I425 HydrophobicContact CZ-CG1 3.97Å; I425-W433 CarbonylContact O-C 3.59Å; I425-W433 VanDerWaalsContact O-CA 3.3Å; I425-W433 WeakPolarHBondContact O-CA 3.49Å; I425-G434 PolarHBondContact N-O 2.76Å; I425-G434 PolarHBondContact O-N 2.8Å; I425-S436 WeakPolarHBondContact CD1-OG 3.5Å
426Y97.8Very high93.2Very high1 Ų156.8 Ų56.80%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-101.4116.7163.2-177.9-102.9000109.9F373 M386 P387 S404 I405 R428 F431 W433F373-Y426 HydrophobicContact CD1-CD2 4.4Å; F373-Y426 HydrophobicContact CD1-CE2 4.45Å; F373-Y426 AromaticContact CE1-CD1 3.51Å; F373-Y426 HydrophobicContact CE1-CD1 3.51Å; F373-Y426 AromaticContact CE1-CD2 3.79Å; F373-Y426 HydrophobicContact CE1-CD2 3.79Å; F373-Y426 AromaticContact CE1-CE1 3.62Å; F373-Y426 HydrophobicContact CE1-CE1 3.62Å; F373-Y426 AromaticContact CE1-CE2 3.9Å; F373-Y426 HydrophobicContact CE1-CE2 3.9Å; F373-Y426 AromaticContact CE1-CG 3.57Å; F373-Y426 HydrophobicContact CE1-CG 3.57Å; F373-Y426 AromaticContact CE1-CZ 3.8Å; F373-Y426 AromaticContact CZ-CD1 3.76Å; F373-Y426 HydrophobicContact CZ-CD1 3.76Å; F373-Y426 HydrophobicContact CZ-CE1 4.12Å; F373-Y426 HydrophobicContact CZ-CG 4.04Å; M386-Y426 HydrophobicContact CE-CE1 4.41Å; M386-Y426 WeakPolarHBondContact CE-OH 3.24Å; P387-Y426 HydrophobicContact CB-CE2 4.3Å; P387-Y426 HydrophobicContact CG-CE2 4.16Å; S404-Y426 WeakPolarHBondContact CA-O 3.5Å; I405-Y426 HydrophobicContact CD1-CD1 4.5Å; I405-Y426 PolarHBondContact N-O 2.84Å; I405-Y426 PolarHBondContact O-N 2.96Å; Y426-R428 HydrophobicContact CD1-CG 3.99Å; Y426-R428 HydrophobicContact CE1-CB 4.46Å; Y426-R428 HydrophobicContact CE1-CG 4.01Å; Y426-F431 WeakPolarHBondContact OH-CA 3.33Å; Y426-F431 WeakPolarHBondContact OH-CD1 3.35Å; Y426-W433 AromaticContact CD2-CD1 3.89Å; Y426-W433 AromaticContact CD2-CD2 3.94Å; Y426-W433 HydrophobicContact CD2-CD2 3.94Å; Y426-W433 AromaticContact CD2-CE2 3.71Å; Y426-W433 HydrophobicContact CD2-CG 4.06Å; Y426-W433 HydrophobicContact CD2-CZ2 4.24Å; Y426-W433 AromaticContact CD2-NE1 3.66Å; Y426-W433 HydrophobicContact CG-CD2 4.41Å; Y426-W433 HydrophobicContact CG-CZ2 4.3Å
427D95.6Very high94.7Very high43 Ų4357.5 Ų57.523%0.2329%0.292CS..EExtended strand (participates in β ladder)trans-85.3114.4171.4170.424.9000109.9N403 Q429 S430 F431 K432N403-D427 PolarHBondContact ND2-OD1 3.47Å; D427-Q429 PolarHBondContact O-N 3.26Å; D427-Q429 WeakPolarHBondContact OD1-CB 3.29Å; D427-Q429 PolarHBondContact OD1-N 2.94Å; D427-S430 WeakPolarHBondContact OD2-CB 3.13Å; D427-S430 PolarHBondContact OD2-N 3.46Å; D427-S430 PolarHBondContact OD2-OG 3.31Å; D427-F431 WeakPolarHBondContact O-CA 3.38Å; D427-F431 PolarHBondContact O-N 3.08Å; D427-K432 PolarHBondContact N-O 2.92Å; D427-K432 PolarHBondContact O-N 3.15Å
428R93.6Very high95.5Very high22 Ų2254.9 Ų54.98%0.08329%0.286CS..THydrogen-bonded Turntrans-69-11.8179.9-62.1-178.3-71.7-179.4-10.4113.3E400 E402 N403 I405 Y426 F431E400-R428 IonicContact OE1-CZ 2.72Å; E400-R428 IonicContact OE1-NH2 2.73Å; E400-R428 PolarHBondContact OE1-NH2 3.41Å; E402-R428 PolarHBondContact O-NH2 3.46Å; N403-R428 VanDerWaalsContact O-CB 3.28Å; N403-R428 WeakPolarHBondContact O-CB 3.46Å; N403-R428 VanDerWaalsContact O-CG 3.27Å; N403-R428 WeakPolarHBondContact O-CG 3.43Å; N403-R428 PolarHBondContact O-N 3.36Å; N403-R428 VanDerWaalsContact O-N 3.13Å; N403-R428 PolarHBondContact O-NE 3.49Å; N403-R428 VanDerWaalsContact O-NE 3.11Å; N403-R428 PolarHBondContact OD1-NE 3.46Å; I405-R428 HydrophobicContact CD1-CG 4.35Å; Y426-R428 HydrophobicContact CD1-CG 3.99Å; Y426-R428 HydrophobicContact CE1-CB 4.46Å; Y426-R428 HydrophobicContact CE1-CG 4.01Å; R428-F431 WeakPolarHBondContact O-CE1 3.34Å
429Q90.7Very high95.9Very high158 Ų15850.8 Ų50.874%0.73827%0.267SS*.THydrogen-bonded Turntrans-88.2-48.1178.8-173.2173.413.800111.4N403 D427N403-Q429 VanDerWaalsContact ND2-CB 3.35Å; N403-Q429 WeakPolarHBondContact ND2-CB 3.26Å; N403-Q429 PolarHBondContact ND2-N 3.41Å; D427-Q429 PolarHBondContact O-N 3.26Å; D427-Q429 WeakPolarHBondContact OD1-CB 3.29Å; D427-Q429 PolarHBondContact OD1-N 2.94Å
430S93Very high95.9Very high57 Ų5754 Ų5440%0.39929%0.288SS..THydrogen-bonded Turntrans-86.2-8.1178.165.80000113.8D427 K432D427-S430 WeakPolarHBondContact OD2-CB 3.13Å; D427-S430 PolarHBondContact OD2-N 3.46Å; D427-S430 PolarHBondContact OD2-OG 3.31Å; S430-K432 VanDerWaalsContact C-N 3.28Å; S430-K432 WeakPolarHBondContact O-CG 3.32Å; S430-K432 PolarHBondContact O-N 3.36Å
431F94.3Very high95.9Very high127 Ų12754 Ų5456%0.55729%0.287SS*.THydrogen-bonded Turntrans56.139.3-175.5-54.4-70.2000113Y426 D427 R428Y426-F431 WeakPolarHBondContact OH-CA 3.33Å; Y426-F431 WeakPolarHBondContact OH-CD1 3.35Å; D427-F431 WeakPolarHBondContact O-CA 3.38Å; D427-F431 PolarHBondContact O-N 3.08Å; R428-F431 WeakPolarHBondContact O-CE1 3.34Å
432K95.3Very high95.9Very high142 Ų14256.7 Ų56.762%0.61730%0.295SS*.EExtended strand (participates in β ladder)trans-129.1145.7-175-73.3176.7-176.7-177.20112.2D427 S430D427-K432 PolarHBondContact N-O 2.92Å; D427-K432 PolarHBondContact O-N 3.15Å; S430-K432 VanDerWaalsContact C-N 3.28Å; S430-K432 WeakPolarHBondContact O-CG 3.32Å; S430-K432 PolarHBondContact O-N 3.36Å
433W96.8Very high96Very high43 Ų4355.4 Ų55.416%0.16329%0.286CS..EExtended strand (participates in β ladder)trans-82.6145.1165.2-71.699.6000110.9F373 P387 S388 Q389 P390 V407 M424 I425 Y426F373-W433 HydrophobicContact CB-CZ2 4.3Å; F373-W433 AromaticContact CD1-CZ2 3.58Å; F373-W433 HydrophobicContact CD1-CZ2 3.58Å; F373-W433 HydrophobicContact CD2-CZ2 4.27Å; F373-W433 AromaticContact CE1-CZ2 3.87Å; F373-W433 HydrophobicContact CE1-CZ2 3.87Å; F373-W433 HydrophobicContact CE2-CZ2 4.48Å; F373-W433 AromaticContact CG-CZ2 3.81Å; F373-W433 HydrophobicContact CG-CZ2 3.81Å; F373-W433 HydrophobicContact CZ-CZ2 4.31Å; P387-W433 PolarHBondContact O-NE1 2.87Å; S388-W433 PolarHBondContact O-NE1 3.09Å; Q389-W433 HydrophobicContact CB-CH2 4.18Å; Q389-W433 HydrophobicContact CB-CZ2 3.75Å; Q389-W433 HydrophobicContact CG-CH2 3.91Å; Q389-W433 HydrophobicContact CG-CZ2 4Å; Q389-W433 HydrophobicContact CG-CZ3 4.21Å; P390-W433 HydrophobicContact CG-CB 4.09Å; P390-W433 HydrophobicContact CG-CG 4.32Å; V407-W433 HydrophobicContact CG2-CH2 3.58Å; V407-W433 HydrophobicContact CG2-CZ3 3.61Å; M424-W433 HydrophobicContact CB-CE3 3.87Å; M424-W433 HydrophobicContact CB-CZ3 3.9Å; I425-W433 CarbonylContact O-C 3.59Å; I425-W433 VanDerWaalsContact O-CA 3.3Å; I425-W433 WeakPolarHBondContact O-CA 3.49Å; Y426-W433 AromaticContact CD2-CD1 3.89Å; Y426-W433 AromaticContact CD2-CD2 3.94Å; Y426-W433 HydrophobicContact CD2-CD2 3.94Å; Y426-W433 AromaticContact CD2-CE2 3.71Å; Y426-W433 HydrophobicContact CD2-CG 4.06Å; Y426-W433 HydrophobicContact CD2-CZ2 4.24Å; Y426-W433 AromaticContact CD2-NE1 3.66Å; Y426-W433 HydrophobicContact CG-CD2 4.41Å; Y426-W433 HydrophobicContact CG-CZ2 4.3Å
434G95.8Very high96Very high35 Ų3556.2 Ų56.236%0.36129%0.289SS..EExtended strand (participates in β ladder)trans-147.7179.6170.200000110.7M424 I425M424-G434 CarbonylContact C-O 3.55Å; M424-G434 WeakPolarHBondContact CA-O 3.46Å; M424-G434 WeakPolarHBondContact CE-O 3.32Å; I425-G434 PolarHBondContact N-O 2.76Å; I425-G434 PolarHBondContact O-N 2.8Å
435E96.1Very high96Very high142 Ų14256.2 Ų56.266%0.66429%0.29SS*.EExtended strand (participates in β ladder)trans-106.9141.9175.7-66-171.9166.900110.5V423 M424V423-E435 WeakPolarHBondContact O-CA 3.4Å; M424-E435 HydrophobicContact CE-CG 3.85Å; M424-E435 HydrophobicContact SD-CG 3.92Å
436S95.7Very high96.1Very high18 Ų1855.4 Ų55.413%0.12629%0.286CS..EExtended strand (participates in β ladder)trans-99.1174.1169.1-1550000110.8V423 I425 Y474V423-S436 PolarHBondContact O-N 2.78Å; I425-S436 WeakPolarHBondContact CD1-OG 3.5Å; S436-Y474 PolarHBondContact OG-OH 3.45Å; S436-Y474 VanDerWaalsContact OG-OH 3.07Å
437D97Very high96.1Very high64 Ų6455.6 Ų55.634%0.34229%0.288SS..PPolyproline II helixtrans-50124.5164.7-60.1-72.5000111.7Y474 F479 W481D437-Y474 HydrophobicContact CB-CE2 4.02Å; D437-Y474 PolarHBondContact OD2-OH 2.96Å; D437-Y474 VanDerWaalsContact OD2-OH 3.06Å; D437-F479 WeakPolarHBondContact OD2-CB 3.27Å; D437-W481 PolarHBondContact O-NE1 3.49Å
438P97.8Very high96.2Very high75 Ų7554.2 Ų54.249%0.48728%0.281SS..PPolyproline II helixtrans-69.6155.2-177.930-35.5000110.7S421 W481S421-P438 WeakPolarHBondContact O-CA 3.34Å; P438-W481 VanDerWaalsContact O-CD1 3.27Å; P438-W481 PolarHBondContact O-NE1 2.86Å
439L97.4Very high96.4Very high6 Ų654 Ų543%0.03128%0.283CS..PPolyproline II helixtrans-56.5149.5169.2-76.6161.6000110.8V408 S421 V423 Y441 V443 V457 C472 W481V408-L439 HydrophobicContact CG1-CD1 3.63Å; V408-L439 HydrophobicContact CG1-CD2 4.49Å; V408-L439 HydrophobicContact CG1-CG 4.2Å; S421-L439 WeakPolarHBondContact CB-O 3.41Å; S421-L439 WeakPolarHBondContact O-CB 3.43Å; S421-L439 PolarHBondContact O-N 3.46Å; V423-L439 HydrophobicContact CG2-CG 4.35Å; L439-Y441 VanDerWaalsContact CB-O 3.26Å; L439-Y441 WeakPolarHBondContact CB-O 3.39Å; L439-Y441 PolarHBondContact O-N 3.14Å; L439-V443 HydrophobicContact CD1-CG1 3.57Å; L439-V457 HydrophobicContact CD2-CB 4.3Å; L439-V457 HydrophobicContact CD2-CG1 4.16Å; L439-V457 HydrophobicContact CD2-CG2 4.19Å; L439-C472 VanDerWaalsContact CD2-SG 3.56Å; L439-W481 HydrophobicContact CD2-CD2 3.99Å; L439-W481 HydrophobicContact CD2-CE3 3.8Å; L439-W481 HydrophobicContact CD2-CH2 3.5Å; L439-W481 VanDerWaalsContact CD2-CH2 3.5Å; L439-W481 HydrophobicContact CD2-CZ2 3.69Å; L439-W481 HydrophobicContact CD2-CZ3 3.54Å; L439-W481 HydrophobicContact CG-CH2 4.26Å; L439-W481 HydrophobicContact CG-CZ2 4.05Å
440P95.9Very high96.8Very high72 Ų7248.2 Ų48.247%0.46826%0.261SS..SBendtrans-71.14.5176.523.7-25.3000113.5W481P440-W481 HydrophobicContact CG-CB 4.3Å
441Y95.6Very high97Very high28 Ų2846.5 Ų46.511%0.1125%0.247CC..SBendtrans-160.6158.1-179.857.8-79.6000110.7S421 L439 V443 M468 R470 C472S421-Y441 VanDerWaalsContact CB-O 3.32Å; S421-Y441 WeakPolarHBondContact CB-O 3.42Å; L439-Y441 VanDerWaalsContact CB-O 3.26Å; L439-Y441 WeakPolarHBondContact CB-O 3.39Å; L439-Y441 PolarHBondContact O-N 3.14Å; Y441-V443 HydrophobicContact CD2-CB 3.86Å; Y441-V443 HydrophobicContact CD2-CG1 4.24Å; Y441-V443 HydrophobicContact CE2-CB 3.67Å; Y441-V443 HydrophobicContact CE2-CG1 3.86Å; Y441-V443 HydrophobicContact CE2-CG2 4.07Å; Y441-M468 HydrophobicContact CD2-CE 3.74Å; Y441-M468 HydrophobicContact CD2-SD 4.32Å; Y441-M468 HydrophobicContact CE2-CE 3.5Å; Y441-M468 HydrophobicContact CE2-SD 4.47Å; Y441-R470 VanDerWaalsContact CE1-CD 3.4Å; Y441-R470 HydrophobicContact CE1-CG 4.02Å; Y441-C472 HydrophobicContact CE1-CB 4.43Å; Y441-C472 PolarHBondContact OH-SG 3.04Å
442E96.7Very high97Very high92 Ų9246 Ų4643%0.4325%0.25SS..  trans-82.5136173.7-63.9163.7174.200110.8A419A419-E442 HydrophobicContact CB-CB 3.81Å
443V98Very high97Very high0 Ų040.6 Ų40.60%024%0.235CC..  trans-155143.1-175.463.60000113.5G410 L420 L439 Y441 H446 V457 G459 K461 M468G410-V443 PolarHBondContact N-O 3.26Å; L420-V443 PolarHBondContact O-N 3.25Å; L420-V443 VanDerWaalsContact O-N 3.1Å; L439-V443 HydrophobicContact CD1-CG1 3.57Å; Y441-V443 HydrophobicContact CD2-CB 3.86Å; Y441-V443 HydrophobicContact CD2-CG1 4.24Å; Y441-V443 HydrophobicContact CE2-CB 3.67Å; Y441-V443 HydrophobicContact CE2-CG1 3.86Å; Y441-V443 HydrophobicContact CE2-CG2 4.07Å; V443-H446 HydrophobicContact CG2-CB 3.72Å; V443-V457 HydrophobicContact CG1-CG1 4.45Å; V443-G459 WeakPolarHBondContact CG2-O 3.43Å; V443-K461 WeakPolarHBondContact CA-O 3.36Å; V443-M468 HydrophobicContact CB-CE 3.94Å; V443-M468 HydrophobicContact CG2-CE 3.44Å; V443-M468 VanDerWaalsContact CG2-CE 3.44Å
444Y97.8Very high97.1Very high18 Ų1840.6 Ų40.67%0.07124%0.238CC..BIsolated β-bridgetrans-139.7158.6171.669.6-87.8000111.8L395 K411 A419 H446 G460 K461 S462L395-Y444 HydrophobicContact CB-CD2 4.44Å; L395-Y444 HydrophobicContact CD1-CD2 3.8Å; L395-Y444 HydrophobicContact CD1-CE2 4.36Å; K411-Y444 HydrophobicContact CD-CD1 4.17Å; K411-Y444 HydrophobicContact CD-CD2 4.03Å; K411-Y444 HydrophobicContact CD-CE1 4.39Å; K411-Y444 HydrophobicContact CD-CE2 4.26Å; K411-Y444 HydrophobicContact CD-CG 3.98Å; K411-Y444 VanDerWaalsContact CE-CE2 3.46Å; K411-Y444 HydrophobicContact CG-CD1 3.86Å; K411-Y444 HydrophobicContact CG-CD2 4.12Å; K411-Y444 HydrophobicContact CG-CG 3.62Å; A419-Y444 HydrophobicContact CB-CD1 3.87Å; A419-Y444 HydrophobicContact CB-CE1 4.46Å; Y444-H446 PolarHBondContact O-N 3.42Å; Y444-G460 WeakPolarHBondContact O-CA 3.3Å; Y444-K461 HydrophobicContact CD1-CB 4.21Å; Y444-K461 VanDerWaalsContact CD1-O 3.28Å; Y444-K461 WeakPolarHBondContact CD1-O 3.4Å; Y444-K461 HydrophobicContact CD2-CB 4.39Å; Y444-K461 HydrophobicContact CE1-CB 3.63Å; Y444-K461 HydrophobicContact CE2-CB 3.83Å; Y444-K461 HydrophobicContact CE2-CD 4.06Å; Y444-K461 VanDerWaalsContact CZ-CB 3.42Å; Y444-K461 PolarHBondContact N-O 2.68Å; Y444-K461 PolarHBondContact O-N 2.83Å; Y444-S462 WeakPolarHBondContact CE1-O 3.01Å
445G97.8Very high97.2Very high5 Ų538.9 Ų38.95%0.05222%0.221CC..SBendtrans60.927.5-178.300000113.1L395 S492 L493L395-G445 PolarHBondContact O-N 3.47Å; G445-S492 CarbonylContact O-C 3.49Å; G445-S492 WeakPolarHBondContact O-CA 3.46Å; G445-S492 WeakPolarHBondContact O-CB 3.32Å; G445-S492 PolarHBondContact O-OG 2.98Å; G445-L493 PolarHBondContact O-N 2.97Å
446H98.6Very high97.4Very high15 Ų1532.7 Ų32.77%0.06919%0.191CC..  trans-87.3157.8176.355.9-81.7000110.4G397 V408 V443 Y444 T448 V457 I458G397-H446 PolarHBondContact N-NE2 3.29Å; V408-H446 PolarHBondContact O-CE1 3.05Å; V408-H446 PolarHBondContact O-NE2 3.36Å; V443-H446 HydrophobicContact CG2-CB 3.72Å; Y444-H446 PolarHBondContact O-N 3.42Å; H446-T448 PolarHBondContact CD2-OG1 3.5Å; H446-T448 PolarHBondContact NE2-OG1 2.88Å; H446-V457 HydrophobicContact CB-CG1 4.46Å; H446-I458 WeakPolarHBondContact CB-O 3.27Å
447G98.3Very high97.5Very high5 Ų531.8 Ų31.85%0.05219%0.185CC..EExtended strand (participates in β ladder)trans-82.2138.8168.300000110.2I458G447-I458 PolarHBondContact N-O 2.94Å; G447-I458 PolarHBondContact O-N 2.95Å
448T98.5Very high97.6Very high15 Ų1528.8 Ų28.89%0.09217%0.169CC..EExtended strand (participates in β ladder)trans-131.8131.2174.7-61.80000109.7G397 A399 V408 H446 V455 Y456 V457G397-T448 WeakPolarHBondContact CA-OG1 3.38Å; A399-T448 HydrophobicContact CB-CG2 3.84Å; V408-T448 HydrophobicContact CG2-CG2 4.37Å; H446-T448 PolarHBondContact CD2-OG1 3.5Å; H446-T448 PolarHBondContact NE2-OG1 2.88Å; T448-V455 HydrophobicContact CG2-CG1 3.89Å; T448-Y456 VanDerWaalsContact CA-O 3.29Å; T448-Y456 WeakPolarHBondContact CA-O 3.46Å; T448-V457 HydrophobicContact CG2-CG2 4.47Å
449V98.1Very high97.6Very high18 Ų1825.2 Ų25.211%0.10915%0.146CC..EExtended strand (participates in β ladder)trans-141.4149.6175.1-71.10000110.5Y456 I496 V498 I503V449-Y456 PolarHBondContact N-O 3.1Å; V449-Y456 VanDerWaalsContact N-O 3.11Å; V449-Y456 PolarHBondContact O-N 3.47Å; V449-I496 HydrophobicContact CB-CD1 4.42Å; V449-I496 HydrophobicContact CG1-CB 4.47Å; V449-I496 HydrophobicContact CG1-CD1 3.74Å; V449-I496 HydrophobicContact CG1-CG1 3.66Å; V449-I496 HydrophobicContact CG1-CG2 4.14Å; V449-I496 HydrophobicContact CG2-CD1 3.93Å; V449-I496 HydrophobicContact CG2-CG1 4.47Å; V449-V498 HydrophobicContact CB-CG2 4.04Å; V449-V498 HydrophobicContact CG1-CG2 4.43Å; V449-V498 HydrophobicContact CG2-CG2 4.12Å; V449-I503 HydrophobicContact CG2-CD1 3.87Å; V449-I503 HydrophobicContact CG2-CG1 4.13Å; V449-I503 HydrophobicContact CG2-CG2 4.1Å
450A97.6Very high97.6Very high35 Ų3524.9 Ų24.929%0.28914%0.144SC..EExtended strand (participates in β ladder)trans-103.9136.3169.900000110.7A399 E400 V401 L454A399-A450 HydrophobicContact CB-CB 4.08Å; E400-A450 WeakPolarHBondContact O-CB 3.46Å; V401-A450 HydrophobicContact CG2-CB 4.28Å; A450-L454 VanDerWaalsContact CA-O 3.28Å; A450-L454 WeakPolarHBondContact CA-O 3.39Å
451H97.3Very high97.7Very high21 Ų2123.4 Ų23.410%0.09713%0.13CC..EExtended strand (participates in β ladder)trans-151.2135.9172.9-17166.8000110.8G453 L454 Y456 V498 D501 I523H451-G453 PolarHBondContact O-N 3.3Å; H451-G453 VanDerWaalsContact O-N 3.15Å; H451-L454 PolarHBondContact N-O 3.38Å; H451-L454 PolarHBondContact O-N 3.21Å; H451-Y456 HydrophobicContact CB-CE2 4.07Å; H451-V498 HydrophobicContact CB-CG2 4.15Å; H451-D501 IonicContact CE1-OD1 2.73Å; H451-D501 PolarHBondContact CE1-OD1 3.06Å; H451-D501 IonicContact NE2-OD1 3.05Å; H451-I523 HydrophobicContact CB-CD1 4.33Å; H451-I523 WeakPolarHBondContact CD2-CD1 3.31Å
452N95.1Very high97.6Very high117 Ų11723.5 Ų23.563%0.62614%0.135SC*.THydrogen-bonded Turntrans47.940.1-178.9-65.5-19.7000115L454N452-L454 VanDerWaalsContact C-N 3.29Å; N452-L454 PolarHBondContact O-N 3.28Å
453G96.1Very high97.3Very high29 Ų2923 Ų2330%0.29913%0.133SC..THydrogen-bonded Turntrans7810.6177.800000114.6V401 H451 P476V401-G453 WeakPolarHBondContact CG1-O 3.42Å; H451-G453 PolarHBondContact O-N 3.3Å; H451-G453 VanDerWaalsContact O-N 3.15Å; G453-P476 VanDerWaalsContact O-CD 3.31Å; G453-P476 WeakPolarHBondContact O-CD 3.26Å; G453-P476 WeakPolarHBondContact O-CG 3.4Å
454L97.9Very high97Very high42 Ų4226.7 Ų26.722%0.2216%0.159CC..EExtended strand (participates in β ladder)trans-116.2148.6177.8-57.4177.5000110.4A450 H451 N452 Y456 V473 Y474 D475A450-L454 VanDerWaalsContact CA-O 3.28Å; A450-L454 WeakPolarHBondContact CA-O 3.39Å; H451-L454 PolarHBondContact N-O 3.38Å; H451-L454 PolarHBondContact O-N 3.21Å; N452-L454 VanDerWaalsContact C-N 3.29Å; N452-L454 PolarHBondContact O-N 3.28Å; L454-Y456 HydrophobicContact CB-CE2 3.82Å; L454-V473 HydrophobicContact CB-CG2 3.69Å; L454-V473 HydrophobicContact CD1-CG2 4.06Å; L454-V473 HydrophobicContact CG-CG2 4.36Å; L454-Y474 WeakPolarHBondContact CA-O 3.25Å; L454-D475 HydrophobicContact CD2-CB 3.69Å
455V98.5Very high96.7Very high0 Ų032.8 Ų32.80%019%0.185CC..EExtended strand (participates in β ladder)trans-104.8122.4175.4-177.60000109.4A399 V401 F406 V408 T448 V473 Y474A399-V455 HydrophobicContact CB-CG1 3.76Å; A399-V455 HydrophobicContact CB-CG2 4.08Å; V401-V455 HydrophobicContact CG2-CG2 3.5Å; V401-V455 VanDerWaalsContact CG2-CG2 3.5Å; F406-V455 HydrophobicContact CD1-CG2 4.49Å; F406-V455 HydrophobicContact CD2-CG2 4.4Å; F406-V455 HydrophobicContact CG-CG2 4.33Å; V408-V455 HydrophobicContact CG2-CG1 4.4Å; T448-V455 HydrophobicContact CG2-CG1 3.89Å; V455-V473 CarbonylContact O-C 3.54Å; V455-V473 VanDerWaalsContact O-CA 3.27Å; V455-V473 WeakPolarHBondContact O-CA 3.04Å; V455-Y474 PolarHBondContact N-O 3Å; V455-Y474 VanDerWaalsContact N-O 3.12Å; V455-Y474 PolarHBondContact O-N 3.21Å
456Y98.7Very high96.6Very high11 Ų1138.9 Ų38.94%0.04321%0.211CC..EExtended strand (participates in β ladder)trans-104.4134.8178.4-62.6-99.9000110.1T448 V449 H451 L454 C472 V473 L484 I503 Y521 I523T448-Y456 VanDerWaalsContact CA-O 3.29Å; T448-Y456 WeakPolarHBondContact CA-O 3.46Å; V449-Y456 PolarHBondContact N-O 3.1Å; V449-Y456 VanDerWaalsContact N-O 3.11Å; V449-Y456 PolarHBondContact O-N 3.47Å; H451-Y456 HydrophobicContact CB-CE2 4.07Å; L454-Y456 HydrophobicContact CB-CE2 3.82Å; Y456-C472 WeakPolarHBondContact CA-O 3.24Å; Y456-V473 HydrophobicContact CD1-CB 3.98Å; Y456-V473 HydrophobicContact CD1-CG2 3.87Å; Y456-V473 HydrophobicContact CD2-CG2 4.34Å; Y456-V473 HydrophobicContact CE1-CB 4.01Å; Y456-V473 HydrophobicContact CE1-CG2 3.67Å; Y456-V473 HydrophobicContact CE2-CG2 4.15Å; Y456-V473 HydrophobicContact CG-CG2 4.2Å; Y456-L484 HydrophobicContact CD1-CD1 3.87Å; Y456-L484 HydrophobicContact CE1-CD1 3.77Å; Y456-I503 HydrophobicContact CD1-CD1 3.81Å; Y456-I503 HydrophobicContact CD2-CD1 4.02Å; Y456-I503 HydrophobicContact CE1-CD1 4.24Å; Y456-I503 HydrophobicContact CE2-CD1 4.44Å; Y456-I503 HydrophobicContact CG-CD1 3.69Å; Y456-Y521 HydrophobicContact CE1-CE1 4.37Å; Y456-I523 WeakPolarHBondContact OH-CG2 3.46Å
457V98.7Very high96.6Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-124.5119.1178.3171.20000108.5V408 L439 V443 H446 T448 V471 C472 W481V408-V457 HydrophobicContact CG1-CG2 3.63Å; L439-V457 HydrophobicContact CD2-CB 4.3Å; L439-V457 HydrophobicContact CD2-CG1 4.16Å; L439-V457 HydrophobicContact CD2-CG2 4.19Å; V443-V457 HydrophobicContact CG1-CG1 4.45Å; H446-V457 HydrophobicContact CB-CG1 4.46Å; T448-V457 HydrophobicContact CG2-CG2 4.47Å; V457-V471 WeakPolarHBondContact O-CA 3.37Å; V457-C472 PolarHBondContact N-O 2.92Å; V457-C472 PolarHBondContact O-N 3.26Å; V457-W481 HydrophobicContact CB-CZ3 4.27Å; V457-W481 HydrophobicContact CG2-CH2 3.7Å; V457-W481 HydrophobicContact CG2-CZ3 3.82Å
458I98.7Very high96.6Very high0 Ų040 Ų400%022%0.216CC..EExtended strand (participates in β ladder)trans-127.1128.6-166.5-66.2156000110.3H446 G447 V471 L487 F494 I496 I503 V505 W528H446-I458 WeakPolarHBondContact CB-O 3.27Å; G447-I458 PolarHBondContact N-O 2.94Å; G447-I458 PolarHBondContact O-N 2.95Å; I458-V471 HydrophobicContact CG1-CB 4.4Å; I458-V471 HydrophobicContact CG1-CG1 3.7Å; I458-V471 HydrophobicContact CG1-CG2 4.1Å; I458-V471 HydrophobicContact CG2-CG2 4.15Å; I458-L487 HydrophobicContact CG2-CD1 3.62Å; I458-L487 HydrophobicContact CG2-CD2 4.06Å; I458-L487 HydrophobicContact CG2-CG 3.94Å; I458-F494 HydrophobicContact CB-CZ 4.26Å; I458-F494 HydrophobicContact CG2-CE2 4.36Å; I458-F494 HydrophobicContact CG2-CZ 3.88Å; I458-F494 VanDerWaalsContact O-CZ 3.25Å; I458-F494 WeakPolarHBondContact O-CZ 3.43Å; I458-I496 HydrophobicContact CB-CD1 4.47Å; I458-I496 HydrophobicContact CD1-CD1 3.68Å; I458-I503 HydrophobicContact CD1-CD1 4.34Å; I458-I503 HydrophobicContact CD1-CG2 3.74Å; I458-V505 HydrophobicContact CG2-CG1 4.22Å; I458-W528 HydrophobicContact CD1-CH2 4.28Å; I458-W528 HydrophobicContact CD1-CZ2 4.4Å; I458-W528 HydrophobicContact CG2-CH2 4.27Å; I458-W528 HydrophobicContact CG2-CZ2 4.25Å
459G98.4Very high96.5Very high0 Ų046.7 Ų46.70%024%0.239CC..  trans65.5-137.1171.900000114V443 M468 R470V443-G459 WeakPolarHBondContact CG2-O 3.43Å; G459-M468 WeakPolarHBondContact CA-O 3.33Å; G459-M468 WeakPolarHBondContact O-CE 3.4Å; G459-R470 PolarHBondContact N-O 3.47Å
460G98.3Very high96.5Very high0 Ų049.5 Ų49.50%025%0.248CC..  trans86.9-168.4-176.800000113.5Y444 C467 M468 R491Y444-G460 WeakPolarHBondContact O-CA 3.3Å; G460-C467 CarbonylContact O-C 3.55Å; G460-C467 WeakPolarHBondContact O-CA 3.42Å; G460-M468 PolarHBondContact O-N 2.94Å; G460-R491 PolarHBondContact N-O 2.93Å
461K97.5Very high96.6Very high41 Ų4147.9 Ų47.918%0.17823%0.234CC..BIsolated β-bridgetrans-119.6144.7177.3-72.6176.6176.9-176.80110.3V443 Y444 K465 K466 C467V443-K461 WeakPolarHBondContact CA-O 3.36Å; Y444-K461 HydrophobicContact CD1-CB 4.21Å; Y444-K461 VanDerWaalsContact CD1-O 3.28Å; Y444-K461 WeakPolarHBondContact CD1-O 3.4Å; Y444-K461 HydrophobicContact CD2-CB 4.39Å; Y444-K461 HydrophobicContact CE1-CB 3.63Å; Y444-K461 HydrophobicContact CE2-CB 3.83Å; Y444-K461 HydrophobicContact CE2-CD 4.06Å; Y444-K461 VanDerWaalsContact CZ-CB 3.42Å; Y444-K461 PolarHBondContact N-O 2.68Å; Y444-K461 PolarHBondContact O-N 2.83Å; K461-K465 WeakPolarHBondContact CD-O 3.48Å; K461-K466 WeakPolarHBondContact CA-O 3.26Å; K461-C467 WeakPolarHBondContact CE-SG 3.21Å
462S92.4Very high96.6Very high30 Ų3046.9 Ų46.921%0.2123%0.23CC..  trans-89.5179.3168.360.70000111.2Y444 S464 K465 K466Y444-S462 WeakPolarHBondContact CE1-O 3.01Å; S462-S464 PolarHBondContact O-N 2.82Å; S462-S464 PolarHBondContact OG-OG 2.91Å; S462-K465 WeakPolarHBondContact O-CA 3.26Å; S462-K465 PolarHBondContact O-N 2.82Å; S462-K466 PolarHBondContact N-O 2.73Å
463E91.1Very high96.8Very high81 Ų8142 Ų4238%0.37921%0.205SC..THydrogen-bonded Turntrans-52.2-29.4173.1-16468.6-177.100113.1H418 A419 K465H418-E463 IonicContact CE1-OE1 3.87Å; H418-E463 IonicContact CG-OE1 3.88Å; H418-E463 IonicContact ND1-OE1 2.92Å; H418-E463 PolarHBondContact ND1-OE1 3.05Å; A419-E463 VanDerWaalsContact CB-OE2 3.24Å; A419-E463 WeakPolarHBondContact CB-OE2 3.12Å; A419-E463 PolarHBondContact N-OE2 3.19Å; E463-K465 PolarHBondContact O-N 2.62Å; E463-K465 VanDerWaalsContact O-N 3.11Å
464S91.8Very high96.9Very high78 Ų7840.9 Ų40.955%0.54519%0.191SC..THydrogen-bonded Turntrans-69.8-3175.572.80000114.7S462 K466S462-S464 PolarHBondContact O-N 2.82Å; S462-S464 PolarHBondContact OG-OG 2.91Å; S464-K466 PolarHBondContact O-N 2.89Å; S464-K466 VanDerWaalsContact O-N 3.13Å
465K92Very high96.9Very high146 Ų14640 Ų4064%0.63519%0.187SC*.  trans63.84.4-176.5-53.4-178.6179.8-178.60115.5K461 S462 E463K461-K465 WeakPolarHBondContact CD-O 3.48Å; S462-K465 WeakPolarHBondContact O-CA 3.26Å; S462-K465 PolarHBondContact O-N 2.82Å; E463-K465 PolarHBondContact O-N 2.62Å; E463-K465 VanDerWaalsContact O-N 3.11Å
466K95.8Very high96.7Very high133 Ų13341.3 Ų41.358%0.57820%0.195SC*.  trans-79.4140.2174.1-65.6-167.3175.7-171.80111.8K461 S462 S464K461-K466 WeakPolarHBondContact CA-O 3.26Å; S462-K466 PolarHBondContact N-O 2.73Å; S464-K466 PolarHBondContact O-N 2.89Å; S464-K466 VanDerWaalsContact O-N 3.13Å
467C98Very high96.5Very high11 Ų1145.4 Ų45.47%0.07422%0.222CC..BIsolated β-bridgetrans-66.4144.8172.6-71.80000111G460 K461 A490 V509 D511G460-C467 CarbonylContact O-C 3.55Å; G460-C467 WeakPolarHBondContact O-CA 3.42Å; K461-C467 WeakPolarHBondContact CE-SG 3.21Å; C467-A490 HydrophobicContact CB-CB 4.14Å; C467-V509 PolarHBondContact SG-O 3.11Å; C467-D511 PolarHBondContact N-OD1 3.42Å
468M97.5Very high96.4Very high31 Ų3151.8 Ų51.815%0.15325%0.249CC..  trans-114.2153.3-178-60.8-170.6-57.900111.5Y441 V443 G459 G460 A490 R491Y441-M468 HydrophobicContact CD2-CE 3.74Å; Y441-M468 HydrophobicContact CD2-SD 4.32Å; Y441-M468 HydrophobicContact CE2-CE 3.5Å; Y441-M468 HydrophobicContact CE2-SD 4.47Å; V443-M468 HydrophobicContact CB-CE 3.94Å; V443-M468 HydrophobicContact CG2-CE 3.44Å; V443-M468 VanDerWaalsContact CG2-CE 3.44Å; G459-M468 WeakPolarHBondContact CA-O 3.33Å; G459-M468 WeakPolarHBondContact O-CE 3.4Å; G460-M468 PolarHBondContact O-N 2.94Å; M468-A490 WeakPolarHBondContact O-CA 3.38Å; M468-R491 PolarHBondContact O-N 3.36Å
469R98.1Very high96.2Very high157 Ų15758.5 Ų58.559%0.59228%0.279SS*.  trans-100.41.1170.165.2175.2-172.7176.61.2113.5P486 L487 A490R469-P486 HydrophobicContact CB-CB 4.2Å; R469-P486 HydrophobicContact CG-CB 3.84Å; R469-P486 CarbonylContact O-C 3.56Å; R469-P486 WeakPolarHBondContact O-CA 3.12Å; R469-P486 WeakPolarHBondContact O-CB 3.22Å; R469-L487 HydrophobicContact CB-CB 4.05Å; R469-L487 WeakPolarHBondContact CB-O 3.5Å; R469-L487 PolarHBondContact O-N 3.48Å; R469-A490 HydrophobicContact CB-CB 4.32Å
470R98.1Very high96.2Very high76 Ų7664 Ų6429%0.28730%0.304SS..  trans-69141.1-169.8-166.3168.2-176.8-177.93.5110Y441 G459 D483Y441-R470 VanDerWaalsContact CE1-CD 3.4Å; Y441-R470 HydrophobicContact CE1-CG 4.02Å; G459-R470 PolarHBondContact N-O 3.47Å; R470-D483 IonicContact CZ-OD1 3.74Å; R470-D483 VanDerWaalsContact CZ-OD1 3.32Å; R470-D483 IonicContact CZ-OD2 2.76Å; R470-D483 IonicContact NE-OD1 3.85Å; R470-D483 PolarHBondContact NE-OD1 2.89Å; R470-D483 IonicContact NE-OD2 3.64Å; R470-D483 VanDerWaalsContact NH2-CG 3.34Å; R470-D483 IonicContact NH2-OD1 2.82Å; R470-D483 PolarHBondContact NH2-OD1 3.34Å; R470-D483 IonicContact NH2-OD2 2.6Å; R470-D483 PolarHBondContact NH2-OD2 2.88Å
471V98.5Very high96.2Very high1 Ų165.6 Ų65.61%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-129.8126.4174.6-178.60000106.7V457 I458 L484 A485 L487 W528V457-V471 WeakPolarHBondContact O-CA 3.37Å; I458-V471 HydrophobicContact CG1-CB 4.4Å; I458-V471 HydrophobicContact CG1-CG1 3.7Å; I458-V471 HydrophobicContact CG1-CG2 4.1Å; I458-V471 HydrophobicContact CG2-CG2 4.15Å; V471-L484 HydrophobicContact CB-CB 4.23Å; V471-L484 HydrophobicContact CG1-CB 3.95Å; V471-L484 HydrophobicContact CG1-CD1 4.15Å; V471-L484 PolarHBondContact O-N 2.8Å; V471-A485 WeakPolarHBondContact CG2-O 3.45Å; V471-L487 HydrophobicContact CG2-CG 4.25Å; V471-W528 HydrophobicContact CG2-CZ2 3.9Å
472C97.8Very high96.2Very high0 Ų070 Ų700%033%0.329CS..EExtended strand (participates in β ladder)trans-129.7155.6172.461.40000110.9L439 Y441 Y456 V457 W481 K482L439-C472 VanDerWaalsContact CD2-SG 3.56Å; Y441-C472 HydrophobicContact CE1-CB 4.43Å; Y441-C472 PolarHBondContact OH-SG 3.04Å; Y456-C472 WeakPolarHBondContact CA-O 3.24Å; V457-C472 PolarHBondContact N-O 2.92Å; V457-C472 PolarHBondContact O-N 3.26Å; C472-W481 HydrophobicContact CB-CE3 4.06Å; C472-W481 HydrophobicContact CB-CZ3 4.5Å; C472-K482 CarbonylContact C-O 3.6Å; C472-K482 WeakPolarHBondContact CA-O 3.2Å; C472-K482 WeakPolarHBondContact CB-O 3.41Å
473V98.5Very high96.5Very high16 Ų1672.5 Ų72.510%0.09734%0.341CS..EExtended strand (participates in β ladder)trans-127138.9176.864.60000109.6L454 V455 Y456 W481 K482 L484L454-V473 HydrophobicContact CB-CG2 3.69Å; L454-V473 HydrophobicContact CD1-CG2 4.06Å; L454-V473 HydrophobicContact CG-CG2 4.36Å; V455-V473 CarbonylContact O-C 3.54Å; V455-V473 VanDerWaalsContact O-CA 3.27Å; V455-V473 WeakPolarHBondContact O-CA 3.04Å; Y456-V473 HydrophobicContact CD1-CB 3.98Å; Y456-V473 HydrophobicContact CD1-CG2 3.87Å; Y456-V473 HydrophobicContact CD2-CG2 4.34Å; Y456-V473 HydrophobicContact CE1-CB 4.01Å; Y456-V473 HydrophobicContact CE1-CG2 3.67Å; Y456-V473 HydrophobicContact CE2-CG2 4.15Å; Y456-V473 HydrophobicContact CG-CG2 4.2Å; V473-W481 CarbonylContact O-C 3.59Å; V473-W481 WeakPolarHBondContact O-CA 3.19Å; V473-K482 HydrophobicContact CG1-CB 4.15Å; V473-K482 PolarHBondContact N-O 3.42Å; V473-K482 PolarHBondContact O-N 2.7Å; V473-L484 HydrophobicContact CB-CD1 3.67Å; V473-L484 HydrophobicContact CB-CG 4.31Å; V473-L484 HydrophobicContact CG1-CD1 3.66Å; V473-L484 HydrophobicContact CG1-CD2 3.99Å; V473-L484 HydrophobicContact CG1-CG 3.84Å
474Y98.5Very high96.8Very high4 Ų470.1 Ų70.12%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-105.7131172.8-176.1-119.2000110.4F406 S436 D437 L454 V455 P476 E480 W481F406-Y474 HydrophobicContact CE1-CD1 4.03Å; F406-Y474 AromaticContact CE1-CE1 3.77Å; F406-Y474 HydrophobicContact CE1-CE1 3.77Å; F406-Y474 HydrophobicContact CZ-CE1 4.27Å; S436-Y474 PolarHBondContact OG-OH 3.45Å; S436-Y474 VanDerWaalsContact OG-OH 3.07Å; D437-Y474 HydrophobicContact CB-CE2 4.02Å; D437-Y474 PolarHBondContact OD2-OH 2.96Å; D437-Y474 VanDerWaalsContact OD2-OH 3.06Å; L454-Y474 WeakPolarHBondContact CA-O 3.25Å; V455-Y474 PolarHBondContact N-O 3Å; V455-Y474 VanDerWaalsContact N-O 3.12Å; V455-Y474 PolarHBondContact O-N 3.21Å; Y474-P476 HydrophobicContact CD1-CB 4.26Å; Y474-P476 HydrophobicContact CE1-CB 3.77Å; Y474-P476 WeakPolarHBondContact O-CD 3.19Å; Y474-E480 WeakPolarHBondContact CA-O 3.43Å; Y474-E480 WeakPolarHBondContact CD2-O 3.44Å; Y474-W481 AromaticContact CD2-CD1 3.73Å; Y474-W481 AromaticContact CD2-CD2 3.89Å; Y474-W481 HydrophobicContact CD2-CD2 3.89Å; Y474-W481 AromaticContact CD2-CE2 3.64Å; Y474-W481 AromaticContact CD2-CG 3.95Å; Y474-W481 HydrophobicContact CD2-CG 3.95Å; Y474-W481 HydrophobicContact CD2-CZ2 4.19Å; Y474-W481 AromaticContact CD2-NE1 3.53Å; Y474-W481 HydrophobicContact CG-CD2 4.18Å; Y474-W481 AromaticContact CG-CE2 3.83Å; Y474-W481 HydrophobicContact CG-CH2 4.34Å; Y474-W481 AromaticContact CG-CZ2 3.92Å; Y474-W481 HydrophobicContact CG-CZ2 3.92Å
475D97.2Very high97.2Very high25 Ų2567.5 Ų67.513%0.13431%0.314CS..EExtended strand (participates in β ladder)trans-105.3102.2170.6-173.1-20.7000109.2L454 T477 K478 F479 E480L454-D475 HydrophobicContact CD2-CB 3.69Å; D475-T477 PolarHBondContact O-N 3.16Å; D475-T477 WeakPolarHBondContact OD1-CB 3.34Å; D475-T477 PolarHBondContact OD1-N 3.19Å; D475-T477 PolarHBondContact OD1-OG1 2.88Å; D475-K478 HydrophobicContact CB-CB 4.18Å; D475-K478 HydrophobicContact CB-CG 4.45Å; D475-K478 CarbonylContact O-C 3.57Å; D475-K478 PolarHBondContact O-N 3.25Å; D475-K478 PolarHBondContact OD1-N 2.81Å; D475-K478 WeakPolarHBondContact OD2-CD 3.42Å; D475-K478 WeakPolarHBondContact OD2-CE 3.38Å; D475-K478 WeakPolarHBondContact OD2-CG 3.27Å; D475-K478 IonicContact OD2-NZ 3.32Å; D475-K478 PolarHBondContact OD2-NZ 3.34Å; D475-F479 PolarHBondContact O-N 2.74Å; D475-E480 PolarHBondContact N-O 3.5Å
476P94.8Very high97.5Very high26 Ų2663.4 Ų63.417%0.16930%0.302CS..THydrogen-bonded Turntrans-67.5-14.3-178.524.7-29.3000113V401 F406 G453 Y474 F479V401-P476 HydrophobicContact CB-CG 4.38Å; V401-P476 HydrophobicContact CG1-CG 3.69Å; F406-P476 HydrophobicContact CZ-CB 4.41Å; G453-P476 VanDerWaalsContact O-CD 3.31Å; G453-P476 WeakPolarHBondContact O-CD 3.26Å; G453-P476 WeakPolarHBondContact O-CG 3.4Å; Y474-P476 HydrophobicContact CD1-CB 4.26Å; Y474-P476 HydrophobicContact CE1-CB 3.77Å; Y474-P476 WeakPolarHBondContact O-CD 3.19Å; P476-F479 WeakPolarHBondContact O-CE1 3.44Å
477T95.1Very high97.6Very high98 Ų9857.2 Ų57.260%0.60128%0.275SS*.THydrogen-bonded Turntrans-81.5-22.1174.774.30000112.3D475D475-T477 PolarHBondContact O-N 3.16Å; D475-T477 WeakPolarHBondContact OD1-CB 3.34Å; D475-T477 PolarHBondContact OD1-N 3.19Å; D475-T477 PolarHBondContact OD1-OG1 2.88Å
478K96.3Very high97.5Very high133 Ų13361.1 Ų61.158%0.57830%0.299SS*.THydrogen-bonded Turntrans-109.3-11179.8-62.4-175.1-170.21180113.7D475 E480D475-K478 HydrophobicContact CB-CB 4.18Å; D475-K478 HydrophobicContact CB-CG 4.45Å; D475-K478 CarbonylContact O-C 3.57Å; D475-K478 PolarHBondContact O-N 3.25Å; D475-K478 PolarHBondContact OD1-N 2.81Å; D475-K478 WeakPolarHBondContact OD2-CD 3.42Å; D475-K478 WeakPolarHBondContact OD2-CE 3.38Å; D475-K478 WeakPolarHBondContact OD2-CG 3.27Å; D475-K478 IonicContact OD2-NZ 3.32Å; D475-K478 PolarHBondContact OD2-NZ 3.34Å; K478-E480 VanDerWaalsContact C-N 3.29Å; K478-E480 HydrophobicContact CB-CB 4.32Å; K478-E480 PolarHBondContact O-N 3.23Å
479F95.5Very high97.5Very high141 Ų14162 Ų6262%0.61831%0.306SS*.THydrogen-bonded Turntrans56.844.4-176.2-51.1-74.6000111.3D437 D475 P476D437-F479 WeakPolarHBondContact OD2-CB 3.27Å; D475-F479 PolarHBondContact O-N 2.74Å; P476-F479 WeakPolarHBondContact O-CE1 3.44Å
480E96.8Very high97.5Very high115 Ų11556.1 Ų56.154%0.53729%0.291SS..EExtended strand (participates in β ladder)trans-137.4134.5-172.7-172.5-177.4-177.900112.3Y474 D475 K478Y474-E480 WeakPolarHBondContact CA-O 3.43Å; Y474-E480 WeakPolarHBondContact CD2-O 3.44Å; D475-E480 PolarHBondContact N-O 3.5Å; K478-E480 VanDerWaalsContact C-N 3.29Å; K478-E480 HydrophobicContact CB-CB 4.32Å; K478-E480 PolarHBondContact O-N 3.23Å
481W98.4Very high97.6Very high35 Ų3552.5 Ų52.513%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-93.8133.2166.4-74.698.6000111V408 V423 D437 P438 L439 P440 V457 C472 V473 Y474V408-W481 HydrophobicContact CG1-CH2 4.45Å; V423-W481 HydrophobicContact CG2-CZ2 4.07Å; D437-W481 PolarHBondContact O-NE1 3.49Å; P438-W481 VanDerWaalsContact O-CD1 3.27Å; P438-W481 PolarHBondContact O-NE1 2.86Å; L439-W481 HydrophobicContact CD2-CD2 3.99Å; L439-W481 HydrophobicContact CD2-CE3 3.8Å; L439-W481 HydrophobicContact CD2-CH2 3.5Å; L439-W481 VanDerWaalsContact CD2-CH2 3.5Å; L439-W481 HydrophobicContact CD2-CZ2 3.69Å; L439-W481 HydrophobicContact CD2-CZ3 3.54Å; L439-W481 HydrophobicContact CG-CH2 4.26Å; L439-W481 HydrophobicContact CG-CZ2 4.05Å; P440-W481 HydrophobicContact CG-CB 4.3Å; V457-W481 HydrophobicContact CB-CZ3 4.27Å; V457-W481 HydrophobicContact CG2-CH2 3.7Å; V457-W481 HydrophobicContact CG2-CZ3 3.82Å; C472-W481 HydrophobicContact CB-CE3 4.06Å; C472-W481 HydrophobicContact CB-CZ3 4.5Å; V473-W481 CarbonylContact O-C 3.59Å; V473-W481 WeakPolarHBondContact O-CA 3.19Å; Y474-W481 AromaticContact CD2-CD1 3.73Å; Y474-W481 AromaticContact CD2-CD2 3.89Å; Y474-W481 HydrophobicContact CD2-CD2 3.89Å; Y474-W481 AromaticContact CD2-CE2 3.64Å; Y474-W481 AromaticContact CD2-CG 3.95Å; Y474-W481 HydrophobicContact CD2-CG 3.95Å; Y474-W481 HydrophobicContact CD2-CZ2 4.19Å; Y474-W481 AromaticContact CD2-NE1 3.53Å; Y474-W481 HydrophobicContact CG-CD2 4.18Å; Y474-W481 AromaticContact CG-CE2 3.83Å; Y474-W481 HydrophobicContact CG-CH2 4.34Å; Y474-W481 AromaticContact CG-CZ2 3.92Å; Y474-W481 HydrophobicContact CG-CZ2 3.92Å
482K98.2Very high97.6Very high132 Ų13252.5 Ų52.557%0.57428%0.277SS*.EExtended strand (participates in β ladder)trans-127.2136.1177.6-175.5177.2176.4-176.80111.7C472 V473C472-K482 CarbonylContact C-O 3.6Å; C472-K482 WeakPolarHBondContact CA-O 3.2Å; C472-K482 WeakPolarHBondContact CB-O 3.41Å; V473-K482 HydrophobicContact CG1-CB 4.15Å; V473-K482 PolarHBondContact N-O 3.42Å; V473-K482 PolarHBondContact O-N 2.7Å
483D98.3Very high97.6Very high84 Ų8455.1 Ų55.145%0.44929%0.291SS..EExtended strand (participates in β ladder)trans-72.5137.3170.4-75.3-55.7000111.4R470R470-D483 IonicContact CZ-OD1 3.74Å; R470-D483 VanDerWaalsContact CZ-OD1 3.32Å; R470-D483 IonicContact CZ-OD2 2.76Å; R470-D483 IonicContact NE-OD1 3.85Å; R470-D483 PolarHBondContact NE-OD1 2.89Å; R470-D483 IonicContact NE-OD2 3.64Å; R470-D483 VanDerWaalsContact NH2-CG 3.34Å; R470-D483 IonicContact NH2-OD1 2.82Å; R470-D483 PolarHBondContact NH2-OD1 3.34Å; R470-D483 IonicContact NH2-OD2 2.6Å; R470-D483 PolarHBondContact NH2-OD2 2.88Å
484L98.6Very high97.6Very high31 Ų3155 Ų5516%0.16229%0.289CS..  trans-114.5-179177.5-64.4177.9000110.9Y456 V471 V473 Y521Y456-L484 HydrophobicContact CD1-CD1 3.87Å; Y456-L484 HydrophobicContact CE1-CD1 3.77Å; V471-L484 HydrophobicContact CB-CB 4.23Å; V471-L484 HydrophobicContact CG1-CB 3.95Å; V471-L484 HydrophobicContact CG1-CD1 4.15Å; V471-L484 PolarHBondContact O-N 2.8Å; V473-L484 HydrophobicContact CB-CD1 3.67Å; V473-L484 HydrophobicContact CB-CG 4.31Å; V473-L484 HydrophobicContact CG1-CD1 3.66Å; V473-L484 HydrophobicContact CG1-CD2 3.99Å; V473-L484 HydrophobicContact CG1-CG 3.84Å; L484-Y521 HydrophobicContact CD1-CE1 4.46Å; L484-Y521 WeakPolarHBondContact CD1-OH 3.31Å
485A98.5Very high97.6Very high23 Ų2354.9 Ų54.919%0.1929%0.289CS..PPolyproline II helixtrans-58.3128.2174.800000109.8V471 Y521 N526 W528V471-A485 WeakPolarHBondContact CG2-O 3.45Å; A485-Y521 HydrophobicContact CB-CE2 4.38Å; A485-N526 WeakPolarHBondContact CB-O 3.43Å; A485-N526 WeakPolarHBondContact CB-OD1 3.37Å; A485-N526 PolarHBondContact N-OD1 3Å; A485-W528 PolarHBondContact O-NE1 2.98Å
486P98.6Very high97.7Very high59 Ų5955.1 Ų55.138%0.38329%0.29SS..PPolyproline II helixtrans-73.7156.8-176.931.6-35.8000111.1R469R469-P486 HydrophobicContact CB-CB 4.2Å; R469-P486 HydrophobicContact CG-CB 3.84Å; R469-P486 CarbonylContact O-C 3.56Å; R469-P486 WeakPolarHBondContact O-CA 3.12Å; R469-P486 WeakPolarHBondContact O-CB 3.22Å
487L98.1Very high97.8Very high3 Ų354.1 Ų54.12%0.01628%0.284CS..PPolyproline II helixtrans-54153.1166.9-71.3166.5000111.5I458 R469 V471 R491 V505 W528I458-L487 HydrophobicContact CG2-CD1 3.62Å; I458-L487 HydrophobicContact CG2-CD2 4.06Å; I458-L487 HydrophobicContact CG2-CG 3.94Å; R469-L487 HydrophobicContact CB-CB 4.05Å; R469-L487 WeakPolarHBondContact CB-O 3.5Å; R469-L487 PolarHBondContact O-N 3.48Å; V471-L487 HydrophobicContact CG2-CG 4.25Å; L487-R491 HydrophobicContact CD1-CG 3.99Å; L487-V505 HydrophobicContact CD2-CG2 3.78Å; L487-W528 HydrophobicContact CD2-CD2 3.92Å; L487-W528 HydrophobicContact CD2-CE3 3.88Å; L487-W528 HydrophobicContact CD2-CH2 3.45Å; L487-W528 VanDerWaalsContact CD2-CH2 3.45Å; L487-W528 HydrophobicContact CD2-CZ2 3.49Å; L487-W528 VanDerWaalsContact CD2-CZ2 3.49Å; L487-W528 HydrophobicContact CD2-CZ3 3.66Å; L487-W528 HydrophobicContact CG-CH2 4.5Å; L487-W528 HydrophobicContact CG-CZ2 4.13Å
488T97.1Very high98Very high94 Ų9451.2 Ų51.258%0.57727%0.266SS*.SBendtrans-73.3-47.2170.4-43.70000109.9E519T488-E519 WeakPolarHBondContact CA-OE2 3.28Å; T488-E519 WeakPolarHBondContact CB-OE2 3.4Å; T488-E519 PolarHBondContact N-OE2 3.17Å; T488-E519 PolarHBondContact OG1-OE2 2.97Å
489T97.3Very high98Very high49 Ų4945 Ų4530%0.30124%0.239SC..SBendtrans-108.5120.6179.4-58.90000110.9R491 T510 E519T489-R491 PolarHBondContact O-N 3.26Å; T489-R491 PolarHBondContact O-NE 3.32Å; T489-T510 HydrophobicContact CG2-CG2 3.97Å; T489-E519 WeakPolarHBondContact CB-OE1 3.21Å; T489-E519 PolarHBondContact N-OE1 3.01Å
490A98.4Very high98Very high34 Ų3443.8 Ų43.828%0.28124%0.235SC..  trans-66.6124.217500000110.9C467 M468 R469C467-A490 HydrophobicContact CB-CB 4.14Å; M468-A490 WeakPolarHBondContact O-CA 3.38Å; R469-A490 HydrophobicContact CB-CB 4.32Å
491R98.5Very high98Very high0 Ų043.6 Ų43.60%024%0.238CC..  trans-148.4158.3-171.863.1-179.378.4-151.16.3113.5G460 M468 L487 T489 F494 T507 V509 S517 E519G460-R491 PolarHBondContact N-O 2.93Å; M468-R491 PolarHBondContact O-N 3.36Å; L487-R491 HydrophobicContact CD1-CG 3.99Å; T489-R491 PolarHBondContact O-N 3.26Å; T489-R491 PolarHBondContact O-NE 3.32Å; R491-F494 HydrophobicContact CB-CD1 4.2Å; R491-F494 HydrophobicContact CG-CB 4.49Å; R491-F494 HydrophobicContact CG-CD1 3.57Å; R491-F494 HydrophobicContact CG-CE1 3.89Å; R491-F494 HydrophobicContact CG-CG 4.03Å; R491-T507 PolarHBondContact NH1-O 3.36Å; R491-V509 CarbonylContact C-O 3.48Å; R491-V509 VanDerWaalsContact CA-O 3.27Å; R491-V509 WeakPolarHBondContact CA-O 3.38Å; R491-S517 PolarHBondContact NH1-O 3.01Å; R491-S517 PolarHBondContact NH1-OG 3.02Å; R491-S517 PolarHBondContact NH2-OG 3.36Å; R491-E519 IonicContact CZ-OE1 2.78Å; R491-E519 IonicContact NE-OE1 3.49Å; R491-E519 IonicContact NH2-OE1 3.57Å; R491-E519 PolarHBondContact NH2-OE1 2.86Å
492S98.6Very high98Very high1 Ų144.5 Ų44.51%0.00724%0.244CC..BIsolated β-bridgetrans-143.8160.2174.21790000109.6G445 F494 V509G445-S492 CarbonylContact O-C 3.49Å; G445-S492 WeakPolarHBondContact O-CA 3.46Å; G445-S492 WeakPolarHBondContact O-CB 3.32Å; G445-S492 PolarHBondContact O-OG 2.98Å; S492-F494 PolarHBondContact O-N 3.33Å; S492-V509 PolarHBondContact N-O 3.12Å; S492-V509 PolarHBondContact O-N 3.04Å
493L98.3Very high98Very high54 Ų5438.2 Ų38.228%0.28322%0.216SC..SBendtrans51.756.2-179-52.5178.1000111.2L395 G445 G508 V509 S539 S540L395-L493 HydrophobicContact CD2-CD2 4.02Å; G445-L493 PolarHBondContact O-N 2.97Å; L493-G508 WeakPolarHBondContact O-CA 3.49Å; L493-V509 HydrophobicContact CB-CG2 4.22Å; L493-V509 HydrophobicContact CD1-CG2 4.19Å; L493-S539 CarbonylContact O-C 3.53Å; L493-S539 WeakPolarHBondContact O-CA 3.25Å; L493-S540 PolarHBondContact O-N 3.01Å
494F98.7Very high98Very high15 Ų1534.6 Ų34.67%0.06620%0.196CC..  trans-120.9161.4-17759.2-92.2000110I458 R491 S492 I496 V505 A506 T507I458-F494 HydrophobicContact CB-CZ 4.26Å; I458-F494 HydrophobicContact CG2-CE2 4.36Å; I458-F494 HydrophobicContact CG2-CZ 3.88Å; I458-F494 VanDerWaalsContact O-CZ 3.25Å; I458-F494 WeakPolarHBondContact O-CZ 3.43Å; R491-F494 HydrophobicContact CB-CD1 4.2Å; R491-F494 HydrophobicContact CG-CB 4.49Å; R491-F494 HydrophobicContact CG-CD1 3.57Å; R491-F494 HydrophobicContact CG-CE1 3.89Å; R491-F494 HydrophobicContact CG-CG 4.03Å; S492-F494 PolarHBondContact O-N 3.33Å; F494-I496 HydrophobicContact CD2-CB 4.35Å; F494-I496 HydrophobicContact CE2-CB 4.02Å; F494-I496 HydrophobicContact CE2-CD1 4.32Å; F494-I496 HydrophobicContact CE2-CG1 4.49Å; F494-V505 HydrophobicContact CD2-CB 3.81Å; F494-V505 HydrophobicContact CD2-CG1 4.01Å; F494-V505 HydrophobicContact CE2-CB 3.85Å; F494-V505 HydrophobicContact CE2-CG1 3.52Å; F494-V505 HydrophobicContact CZ-CG1 4.44Å; F494-A506 WeakPolarHBondContact CB-O 3.28Å; F494-T507 VanDerWaalsContact CB-O 3.23Å; F494-T507 WeakPolarHBondContact CB-O 3.22Å
495G98.4Very high98Very high1 Ų133.1 Ų33.11%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-78.7136.5174.400000111.4V505 A506 L541G495-V505 CarbonylContact O-C 3.56Å; G495-V505 VanDerWaalsContact O-CA 3.28Å; G495-V505 WeakPolarHBondContact O-CA 3.33Å; G495-A506 PolarHBondContact N-O 3.31Å; G495-A506 PolarHBondContact O-N 2.98Å; G495-L541 WeakPolarHBondContact CA-O 3.25Å; G495-L541 PolarHBondContact N-O 2.99Å
496I98.6Very high98Very high29 Ų2932 Ų3215%0.14918%0.179CC..EExtended strand (participates in β ladder)trans-136.6136.3-179.8-171.7172.9000110.7V449 I458 F494 I503 Y504 V505V449-I496 HydrophobicContact CB-CD1 4.42Å; V449-I496 HydrophobicContact CG1-CB 4.47Å; V449-I496 HydrophobicContact CG1-CD1 3.74Å; V449-I496 HydrophobicContact CG1-CG1 3.66Å; V449-I496 HydrophobicContact CG1-CG2 4.14Å; V449-I496 HydrophobicContact CG2-CD1 3.93Å; V449-I496 HydrophobicContact CG2-CG1 4.47Å; I458-I496 HydrophobicContact CB-CD1 4.47Å; I458-I496 HydrophobicContact CD1-CD1 3.68Å; F494-I496 HydrophobicContact CD2-CB 4.35Å; F494-I496 HydrophobicContact CE2-CB 4.02Å; F494-I496 HydrophobicContact CE2-CD1 4.32Å; F494-I496 HydrophobicContact CE2-CG1 4.49Å; I496-I503 HydrophobicContact CD1-CG2 4.03Å; I496-I503 HydrophobicContact CG1-CG2 3.99Å; I496-Y504 VanDerWaalsContact CA-O 3.31Å; I496-Y504 WeakPolarHBondContact CA-O 3.41Å; I496-V505 HydrophobicContact CD1-CG1 4.35Å; I496-V505 HydrophobicContact CG1-CG1 4.17Å
497A98.3Very high98Very high6 Ų629.2 Ų29.25%0.0516%0.161CC..EExtended strand (participates in β ladder)trans-150.9153.5174.800000110.8Y504 L543 L550A497-Y504 PolarHBondContact N-O 3.34Å; A497-Y504 VanDerWaalsContact N-O 3.11Å; A497-Y504 PolarHBondContact O-N 3.04Å; A497-L543 HydrophobicContact CB-CB 4.07Å; A497-L543 HydrophobicContact CB-CD2 3.8Å; A497-L543 HydrophobicContact CB-CG 3.74Å; A497-L550 HydrophobicContact CB-CD1 4.11Å
498V98.1Very high98Very high36 Ų3629 Ų2922%0.21816%0.16CC..EExtended strand (participates in β ladder)trans-91.3125.7161.6179.50000107.7V449 H451 Q502 I503 S545V449-V498 HydrophobicContact CB-CG2 4.04Å; V449-V498 HydrophobicContact CG1-CG2 4.43Å; V449-V498 HydrophobicContact CG2-CG2 4.12Å; H451-V498 HydrophobicContact CB-CG2 4.15Å; V498-Q502 WeakPolarHBondContact CA-O 3.31Å; V498-I503 HydrophobicContact CG2-CG1 4.23Å; V498-S545 WeakPolarHBondContact O-CB 3.41Å
499H97.8Very high98.1Very high4 Ų425.8 Ų25.82%0.01914%0.141CC..EExtended strand (participates in β ladder)trans-139.5129.9175.9-173.868.3000108.6D501 Q502 Y504 S545 G548 L550 E580H499-D501 VanDerWaalsContact C-N 3.3Å; H499-D501 PolarHBondContact O-N 3.2Å; H499-Q502 PolarHBondContact N-O 3.31Å; H499-Q502 PolarHBondContact O-N 3.12Å; H499-Y504 HydrophobicContact CB-CD2 3.86Å; H499-Y504 HydrophobicContact CB-CE2 3.78Å; H499-Y504 WeakPolarHBondContact O-CE2 3.45Å; H499-S545 PolarHBondContact ND1-OG 3.12Å; H499-G548 PolarHBondContact CE1-O 3.36Å; H499-L550 HydrophobicContact CB-CD1 4.06Å; H499-E580 IonicContact CD2-OE1 3.84Å; H499-E580 IonicContact NE2-OE1 3.17Å
500Q95Very high98.1Very high114 Ų11424.2 Ų24.253%0.53313%0.131SC..THydrogen-bonded Turntrans48.448.1-179.6-58.3177.223.900113.5Q502Q500-Q502 PolarHBondContact O-N 3.29Å; Q500-Q502 VanDerWaalsContact O-N 3.15Å
501D95.9Very high98.1Very high111 Ų11127.5 Ų27.559%0.59414%0.144SC*.THydrogen-bonded Turntrans6018.7-179.1-58.5-38.4000115.9H451 H499 I523H451-D501 IonicContact CE1-OD1 2.73Å; H451-D501 PolarHBondContact CE1-OD1 3.06Å; H451-D501 IonicContact NE2-OD1 3.05Å; H499-D501 VanDerWaalsContact C-N 3.3Å; H499-D501 PolarHBondContact O-N 3.2Å; D501-I523 WeakPolarHBondContact O-CD1 3.44Å
502Q98.1Very high97.9Very high55 Ų5533.2 Ų33.226%0.25718%0.184SC..EExtended strand (participates in β ladder)trans-123.3154.6174.1-59.7-174.8-51.700110.9V498 H499 Q500 Y504 V520V498-Q502 WeakPolarHBondContact CA-O 3.31Å; H499-Q502 PolarHBondContact N-O 3.31Å; H499-Q502 PolarHBondContact O-N 3.12Å; Q500-Q502 PolarHBondContact O-N 3.29Å; Q500-Q502 VanDerWaalsContact O-N 3.15Å; Q502-Y504 HydrophobicContact CB-CD2 4.45Å; Q502-Y504 HydrophobicContact CB-CE2 3.89Å; Q502-V520 HydrophobicContact CB-CG1 3.77Å; Q502-V520 HydrophobicContact CG-CG1 4.4Å
503I98.8Very high97.8Very high0 Ų034.9 Ų34.90%020%0.2CC..EExtended strand (participates in β ladder)trans-99.8121.2178-58.4169.3000109V449 Y456 I458 I496 V498 V520 Y521 I523V449-I503 HydrophobicContact CG2-CD1 3.87Å; V449-I503 HydrophobicContact CG2-CG1 4.13Å; V449-I503 HydrophobicContact CG2-CG2 4.1Å; Y456-I503 HydrophobicContact CD1-CD1 3.81Å; Y456-I503 HydrophobicContact CD2-CD1 4.02Å; Y456-I503 HydrophobicContact CE1-CD1 4.24Å; Y456-I503 HydrophobicContact CE2-CD1 4.44Å; Y456-I503 HydrophobicContact CG-CD1 3.69Å; I458-I503 HydrophobicContact CD1-CD1 4.34Å; I458-I503 HydrophobicContact CD1-CG2 3.74Å; I496-I503 HydrophobicContact CD1-CG2 4.03Å; I496-I503 HydrophobicContact CG1-CG2 3.99Å; V498-I503 HydrophobicContact CG2-CG1 4.23Å; I503-V520 CarbonylContact O-C 3.48Å; I503-V520 WeakPolarHBondContact O-CA 3.49Å; I503-Y521 HydrophobicContact CB-CD1 4.48Å; I503-Y521 HydrophobicContact CD1-CD1 4.09Å; I503-Y521 PolarHBondContact N-O 3.32Å; I503-Y521 VanDerWaalsContact N-O 3.09Å; I503-Y521 PolarHBondContact O-N 3.12Å; I503-I523 HydrophobicContact CD1-CD1 4.19Å; I503-I523 HydrophobicContact CD1-CG1 4.27Å; I503-I523 HydrophobicContact CG1-CD1 4.04Å; I503-I523 HydrophobicContact CG1-CG1 4.27Å
504Y98.8Very high97.7Very high7 Ų733.8 Ų33.83%0.02720%0.195CC..EExtended strand (participates in β ladder)trans-100.9135.4177.8-71.4-114.1000109I496 A497 H499 Q502 V520 F531 L550I496-Y504 VanDerWaalsContact CA-O 3.31Å; I496-Y504 WeakPolarHBondContact CA-O 3.41Å; A497-Y504 PolarHBondContact N-O 3.34Å; A497-Y504 VanDerWaalsContact N-O 3.11Å; A497-Y504 PolarHBondContact O-N 3.04Å; H499-Y504 HydrophobicContact CB-CD2 3.86Å; H499-Y504 HydrophobicContact CB-CE2 3.78Å; H499-Y504 WeakPolarHBondContact O-CE2 3.45Å; Q502-Y504 HydrophobicContact CB-CD2 4.45Å; Q502-Y504 HydrophobicContact CB-CE2 3.89Å; Y504-V520 HydrophobicContact CD1-CG2 3.36Å; Y504-V520 HydrophobicContact CD2-CG1 4.33Å; Y504-V520 HydrophobicContact CD2-CG2 4.35Å; Y504-V520 HydrophobicContact CE1-CB 4.49Å; Y504-V520 HydrophobicContact CE1-CG1 4.38Å; Y504-V520 HydrophobicContact CE1-CG2 3.29Å; Y504-V520 HydrophobicContact CE2-CG1 3.98Å; Y504-V520 HydrophobicContact CE2-CG2 4.28Å; Y504-V520 HydrophobicContact CG-CG2 3.9Å; Y504-F531 HydrophobicContact CD1-CE1 4.46Å; Y504-F531 HydrophobicContact CD1-CZ 4.47Å; Y504-F531 HydrophobicContact CE1-CD1 4.45Å; Y504-F531 HydrophobicContact CE1-CD2 4.14Å; Y504-F531 HydrophobicContact CE1-CE1 4.06Å; Y504-F531 AromaticContact CE1-CE2 3.74Å; Y504-F531 HydrophobicContact CE1-CE2 3.74Å; Y504-F531 HydrophobicContact CE1-CG 4.45Å; Y504-F531 AromaticContact CE1-CZ 3.66Å; Y504-F531 HydrophobicContact CE1-CZ 3.66Å; Y504-L550 HydrophobicContact CD1-CD2 3.65Å; Y504-L550 HydrophobicContact CE1-CD2 4.02Å; Y504-L550 HydrophobicContact CG-CD2 4.14Å
505V98.7Very high97.7Very high0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-123.4130.3167.7-56.40000109.4I458 L487 F494 G495 I496 V518 E519 W528I458-V505 HydrophobicContact CG2-CG1 4.22Å; L487-V505 HydrophobicContact CD2-CG2 3.78Å; F494-V505 HydrophobicContact CD2-CB 3.81Å; F494-V505 HydrophobicContact CD2-CG1 4.01Å; F494-V505 HydrophobicContact CE2-CB 3.85Å; F494-V505 HydrophobicContact CE2-CG1 3.52Å; F494-V505 HydrophobicContact CZ-CG1 4.44Å; G495-V505 CarbonylContact O-C 3.56Å; G495-V505 VanDerWaalsContact O-CA 3.28Å; G495-V505 WeakPolarHBondContact O-CA 3.33Å; I496-V505 HydrophobicContact CD1-CG1 4.35Å; I496-V505 HydrophobicContact CG1-CG1 4.17Å; V505-V518 CarbonylContact O-C 3.5Å; V505-V518 VanDerWaalsContact O-CA 3.26Å; V505-V518 WeakPolarHBondContact O-CA 3.45Å; V505-V518 WeakPolarHBondContact O-CG1 3.35Å; V505-E519 HydrophobicContact CG2-CB 3.79Å; V505-E519 PolarHBondContact N-O 3.05Å; V505-E519 PolarHBondContact O-N 3.1Å; V505-W528 HydrophobicContact CG1-CH2 3.85Å; V505-W528 HydrophobicContact CG1-CZ3 4.1Å; V505-W528 HydrophobicContact CG2-CH2 4.19Å; V505-W528 HydrophobicContact CG2-CZ3 3.75Å
506A98.6Very high97.7Very high0 Ų034.9 Ų34.90%020%0.204CC..EExtended strand (participates in β ladder)trans-128.2137.6-176.200000110.6F494 G495 V518 L541 L543F494-A506 WeakPolarHBondContact CB-O 3.28Å; G495-A506 PolarHBondContact N-O 3.31Å; G495-A506 PolarHBondContact O-N 2.98Å; A506-V518 HydrophobicContact CB-CG1 4.23Å; A506-V518 HydrophobicContact CB-CG2 3.93Å; A506-L541 HydrophobicContact CB-CD2 3.89Å; A506-L543 HydrophobicContact CB-CD1 4.46Å; A506-L543 HydrophobicContact CB-CD2 4.35Å
507T98.6Very high97.7Very high0 Ų034.4 Ų34.40%020%0.202CC..EExtended strand (participates in β ladder)trans57.2-159.8176.181.80000113.2R491 F494 T515 S517 F534 R538 L541R491-T507 PolarHBondContact NH1-O 3.36Å; F494-T507 VanDerWaalsContact CB-O 3.23Å; F494-T507 WeakPolarHBondContact CB-O 3.22Å; T507-T515 WeakPolarHBondContact CA-O 3.34Å; T507-T515 VanDerWaalsContact CB-O 3.23Å; T507-T515 WeakPolarHBondContact CB-O 3.31Å; T507-S517 PolarHBondContact N-O 3.24Å; T507-F534 HydrophobicContact CG2-CB 3.76Å; T507-F534 HydrophobicContact CG2-CD1 3.6Å; T507-F534 HydrophobicContact CG2-CG 3.91Å; T507-R538 WeakPolarHBondContact CB-O 3.48Å; T507-R538 HydrophobicContact CG2-CB 4.29Å; T507-R538 PolarHBondContact OG1-O 3.39Å; T507-L541 HydrophobicContact CG2-CD2 3.75Å; T507-L541 WeakPolarHBondContact OG1-CB 3.31Å
508G98.3Very high97.7Very high0 Ų034.3 Ų34.30%020%0.201CC..EExtended strand (participates in β ladder)trans132.4175.2172.300000114.1L493 L514 T515 R538L493-G508 WeakPolarHBondContact O-CA 3.49Å; G508-L514 CarbonylContact O-C 3.5Å; G508-L514 WeakPolarHBondContact O-CA 3.36Å; G508-T515 PolarHBondContact O-N 3.13Å; G508-R538 WeakPolarHBondContact CA-O 3.48Å; G508-R538 PolarHBondContact N-O 3.48Å
509V98.4Very high97.8Very high26 Ų2632.8 Ų32.816%0.15819%0.192CC..EExtended strand (participates in β ladder)trans-88.7127.7167.9-176.80000109.5C467 R491 S492 L493 L514C467-V509 PolarHBondContact SG-O 3.11Å; R491-V509 CarbonylContact C-O 3.48Å; R491-V509 VanDerWaalsContact CA-O 3.27Å; R491-V509 WeakPolarHBondContact CA-O 3.38Å; S492-V509 PolarHBondContact N-O 3.12Å; S492-V509 PolarHBondContact O-N 3.04Å; L493-V509 HydrophobicContact CB-CG2 4.22Å; L493-V509 HydrophobicContact CD1-CG2 4.19Å; V509-L514 HydrophobicContact CG2-CD2 3.97Å
510T98.3Very high97.8Very high15 Ų1532.8 Ų32.89%0.09219%0.192CC..EExtended strand (participates in β ladder)trans-109.2174.8170.969.50000109.7T489 S512 G513 T515T489-T510 HydrophobicContact CG2-CG2 3.97Å; T510-S512 PolarHBondContact O-N 3.18Å; T510-S512 PolarHBondContact OG1-N 2.67Å; T510-S512 PolarHBondContact OG1-OG 3.34Å; T510-S512 VanDerWaalsContact OG1-OG 3.11Å; T510-G513 PolarHBondContact N-O 2.91Å; T510-G513 PolarHBondContact O-N 3.14Å; T510-G513 PolarHBondContact OG1-N 3.44Å; T510-G513 PolarHBondContact OG1-O 3.45Å; T510-T515 HydrophobicContact CG2-CG2 3.8Å
511D96.8Very high98Very high104 Ų10427.5 Ų27.556%0.55617%0.167SC*.THydrogen-bonded Turntrans-66.8-15.6173.8-73-10.4000112.7C467C467-D511 PolarHBondContact N-OD1 3.42Å
512S94.9Very high98.1Very high120 Ų12024.9 Ų24.984%0.83915%0.153SC*.THydrogen-bonded Turntrans-105.6-1-17951.10000115T510T510-S512 PolarHBondContact O-N 3.18Å; T510-S512 PolarHBondContact OG1-N 2.67Å; T510-S512 PolarHBondContact OG1-OG 3.34Å; T510-S512 VanDerWaalsContact OG1-OG 3.11Å
513G95.6Very high98Very high35 Ų3524 Ų2436%0.36115%0.15SC..EExtended strand (participates in β ladder)trans135.1-149.1-175.900000112.6T510T510-G513 PolarHBondContact N-O 2.91Å; T510-G513 PolarHBondContact O-N 3.14Å; T510-G513 PolarHBondContact OG1-N 3.44Å; T510-G513 PolarHBondContact OG1-O 3.45Å
514L98Very high97.9Very high32 Ų3228.8 Ų28.817%0.16819%0.19CC..EExtended strand (participates in β ladder)trans-85.6164.6174.1-59.7-179.2000110.6G508 V509 E537 M558G508-L514 CarbonylContact O-C 3.5Å; G508-L514 WeakPolarHBondContact O-CA 3.36Å; V509-L514 HydrophobicContact CG2-CD2 3.97Å; L514-E537 HydrophobicContact CB-CB 3.62Å; L514-M558 HydrophobicContact CD1-CG 3.92Å
515T98.3Very high97.8Very high20 Ų2031.3 Ų31.312%0.12321%0.212CC..EExtended strand (participates in β ladder)trans-135.8150.4171.8-174.70000110.4T507 G508 T510 S517 R538T507-T515 WeakPolarHBondContact CA-O 3.34Å; T507-T515 VanDerWaalsContact CB-O 3.23Å; T507-T515 WeakPolarHBondContact CB-O 3.31Å; G508-T515 PolarHBondContact O-N 3.13Å; T510-T515 HydrophobicContact CG2-CG2 3.8Å; T515-S517 WeakPolarHBondContact OG1-CB 3.36Å; T515-S517 PolarHBondContact OG1-N 2.91Å; T515-S517 VanDerWaalsContact OG1-N 3.15Å; T515-S517 PolarHBondContact OG1-OG 3.03Å; T515-R538 PolarHBondContact O-N 2.83Å
516S98.3Very high97.8Very high19 Ų1934.5 Ų34.513%0.13323%0.229CC..EExtended strand (participates in β ladder)trans-96.8-8.5169.849.70000112.7F534S516-F534 VanDerWaalsContact CB-O 3.24Å; S516-F534 WeakPolarHBondContact CB-O 3.43Å; S516-F534 PolarHBondContact O-N 3.49Å
517S98.5Very high97.8Very high18 Ų1841.3 Ų41.313%0.12626%0.258CS..EExtended strand (participates in β ladder)trans-61.5142.3-171.960.80000112.3R491 T507 T515R491-S517 PolarHBondContact NH1-O 3.01Å; R491-S517 PolarHBondContact NH1-OG 3.02Å; R491-S517 PolarHBondContact NH2-OG 3.36Å; T507-S517 PolarHBondContact N-O 3.24Å; T515-S517 WeakPolarHBondContact OG1-CB 3.36Å; T515-S517 PolarHBondContact OG1-N 2.91Å; T515-S517 VanDerWaalsContact OG1-N 3.15Å; T515-S517 PolarHBondContact OG1-OG 3.03Å
518V98.8Very high97.8Very high4 Ų442.2 Ų42.22%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-120.6130.9174.5-172.90000108.4V505 A506 F531 T532 F534V505-V518 CarbonylContact O-C 3.5Å; V505-V518 VanDerWaalsContact O-CA 3.26Å; V505-V518 WeakPolarHBondContact O-CA 3.45Å; V505-V518 WeakPolarHBondContact O-CG1 3.35Å; A506-V518 HydrophobicContact CB-CG1 4.23Å; A506-V518 HydrophobicContact CB-CG2 3.93Å; V518-F531 HydrophobicContact CB-CB 4.06Å; V518-F531 HydrophobicContact CB-CD1 4.2Å; V518-F531 HydrophobicContact CG1-CB 3.91Å; V518-F531 HydrophobicContact CG1-CD1 3.71Å; V518-F531 HydrophobicContact CG1-CG 4.18Å; V518-F531 PolarHBondContact O-N 3.29Å; V518-T532 VanDerWaalsContact CG2-O 3.3Å; V518-T532 WeakPolarHBondContact CG2-O 3.19Å; V518-F534 HydrophobicContact CG2-CB 4.17Å
519E98.6Very high97.8Very high4 Ų445.1 Ų45.12%0.01928%0.282CS..EExtended strand (participates in β ladder)trans-124.1143.7176.9-58.9-179.9-122.600109.7T488 T489 R491 V505 W528 S529T488-E519 WeakPolarHBondContact CA-OE2 3.28Å; T488-E519 WeakPolarHBondContact CB-OE2 3.4Å; T488-E519 PolarHBondContact N-OE2 3.17Å; T488-E519 PolarHBondContact OG1-OE2 2.97Å; T489-E519 WeakPolarHBondContact CB-OE1 3.21Å; T489-E519 PolarHBondContact N-OE1 3.01Å; R491-E519 IonicContact CZ-OE1 2.78Å; R491-E519 IonicContact NE-OE1 3.49Å; R491-E519 IonicContact NH2-OE1 3.57Å; R491-E519 PolarHBondContact NH2-OE1 2.86Å; V505-E519 HydrophobicContact CG2-CB 3.79Å; V505-E519 PolarHBondContact N-O 3.05Å; V505-E519 PolarHBondContact O-N 3.1Å; E519-W528 HydrophobicContact CB-CE3 3.66Å; E519-W528 HydrophobicContact CB-CZ3 4.03Å; E519-S529 WeakPolarHBondContact CA-O 3.36Å
520V98.6Very high97.8Very high4 Ų451.9 Ų51.92%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-118.9131.2178.3179.70000109.2Q502 I503 Y504 W528 S529 F531Q502-V520 HydrophobicContact CB-CG1 3.77Å; Q502-V520 HydrophobicContact CG-CG1 4.4Å; I503-V520 CarbonylContact O-C 3.48Å; I503-V520 WeakPolarHBondContact O-CA 3.49Å; Y504-V520 HydrophobicContact CD1-CG2 3.36Å; Y504-V520 HydrophobicContact CD2-CG1 4.33Å; Y504-V520 HydrophobicContact CD2-CG2 4.35Å; Y504-V520 HydrophobicContact CE1-CB 4.49Å; Y504-V520 HydrophobicContact CE1-CG1 4.38Å; Y504-V520 HydrophobicContact CE1-CG2 3.29Å; Y504-V520 HydrophobicContact CE2-CG1 3.98Å; Y504-V520 HydrophobicContact CE2-CG2 4.28Å; Y504-V520 HydrophobicContact CG-CG2 3.9Å; V520-W528 CarbonylContact O-C 3.57Å; V520-W528 WeakPolarHBondContact O-CA 3.41Å; V520-S529 PolarHBondContact N-O 3.44Å; V520-S529 PolarHBondContact O-N 2.84Å; V520-S529 PolarHBondContact O-OG 3.09Å; V520-F531 HydrophobicContact CG2-CB 3.81Å; V520-F531 HydrophobicContact CG2-CD2 3.66Å; V520-F531 HydrophobicContact CG2-CE2 4.35Å; V520-F531 HydrophobicContact CG2-CG 3.82Å
521Y98.8Very high97.8Very high3 Ų353.3 Ų53.31%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-103.5116175.9-179.8-107.6000110.3Y456 L484 A485 I503 I523 N526 W528Y456-Y521 HydrophobicContact CE1-CE1 4.37Å; L484-Y521 HydrophobicContact CD1-CE1 4.46Å; L484-Y521 WeakPolarHBondContact CD1-OH 3.31Å; A485-Y521 HydrophobicContact CB-CE2 4.38Å; I503-Y521 HydrophobicContact CB-CD1 4.48Å; I503-Y521 HydrophobicContact CD1-CD1 4.09Å; I503-Y521 PolarHBondContact N-O 3.32Å; I503-Y521 VanDerWaalsContact N-O 3.09Å; I503-Y521 PolarHBondContact O-N 3.12Å; Y521-I523 HydrophobicContact CD1-CG1 3.9Å; Y521-I523 HydrophobicContact CE1-CB 4.32Å; Y521-I523 HydrophobicContact CE1-CG1 4Å; Y521-I523 PolarHBondContact O-N 3.28Å; Y521-N526 WeakPolarHBondContact OH-CA 3.46Å; Y521-N526 PolarHBondContact OH-OD1 3.1Å; Y521-W528 AromaticContact CD2-CD1 3.74Å; Y521-W528 AromaticContact CD2-CD2 3.88Å; Y521-W528 HydrophobicContact CD2-CD2 3.88Å; Y521-W528 AromaticContact CD2-CE2 3.52Å; Y521-W528 HydrophobicContact CD2-CG 4.01Å; Y521-W528 HydrophobicContact CD2-CZ2 4.02Å; Y521-W528 AromaticContact CD2-NE1 3.41Å; Y521-W528 AromaticContact CE2-NE1 3.98Å; Y521-W528 HydrophobicContact CG-CD2 4.24Å; Y521-W528 AromaticContact CG-CE2 3.9Å; Y521-W528 HydrophobicContact CG-CH2 4.34Å; Y521-W528 AromaticContact CG-CZ2 3.96Å; Y521-W528 HydrophobicContact CG-CZ2 3.96Å
522D98.1Very high97.8Very high57 Ų5750.5 Ų50.531%0.30530%0.304SS..EExtended strand (participates in β ladder)trans-77.8110.8167-177-31.1000108.7A524 A525 N526 K527D522-A524 VanDerWaalsContact C-N 3.34Å; D522-A524 PolarHBondContact O-N 2.6Å; D522-A524 PolarHBondContact OD1-N 3.44Å; D522-A525 HydrophobicContact CB-CB 3.96Å; D522-A525 PolarHBondContact O-N 3.14Å; D522-A525 PolarHBondContact OD1-N 3.21Å; D522-N526 WeakPolarHBondContact O-CA 3.25Å; D522-N526 PolarHBondContact O-N 3.12Å; D522-K527 PolarHBondContact N-O 3.46Å; D522-K527 PolarHBondContact O-N 3.18Å
523I96.9Very high98Very high36 Ų3650.7 Ų50.719%0.18529%0.292CS..THydrogen-bonded Turntrans-63.9-39.9-177.5-60.4176.9000111.1H451 Y456 D501 I503 Y521H451-I523 HydrophobicContact CB-CD1 4.33Å; H451-I523 WeakPolarHBondContact CD2-CD1 3.31Å; Y456-I523 WeakPolarHBondContact OH-CG2 3.46Å; D501-I523 WeakPolarHBondContact O-CD1 3.44Å; I503-I523 HydrophobicContact CD1-CD1 4.19Å; I503-I523 HydrophobicContact CD1-CG1 4.27Å; I503-I523 HydrophobicContact CG1-CD1 4.04Å; I503-I523 HydrophobicContact CG1-CG1 4.27Å; Y521-I523 HydrophobicContact CD1-CG1 3.9Å; Y521-I523 HydrophobicContact CE1-CB 4.32Å; Y521-I523 HydrophobicContact CE1-CG1 4Å; Y521-I523 PolarHBondContact O-N 3.28Å
524A95.8Very high98.1Very high101 Ų10149.2 Ų49.284%0.83528%0.275SS*.THydrogen-bonded Turntrans-72.2-38.9-177.800000111.6D522D522-A524 VanDerWaalsContact C-N 3.34Å; D522-A524 PolarHBondContact O-N 2.6Å; D522-A524 PolarHBondContact OD1-N 3.44Å
525A97.5Very high98.1Very high59 Ų5951.3 Ų51.349%0.48829%0.29SS..THydrogen-bonded Turntrans-83.4-13.1179.100000113.8D522 K527D522-A525 HydrophobicContact CB-CB 3.96Å; D522-A525 PolarHBondContact O-N 3.14Å; D522-A525 PolarHBondContact OD1-N 3.21Å; A525-K527 VanDerWaalsContact C-N 3.33Å; A525-K527 HydrophobicContact CB-CB 4.19Å; A525-K527 PolarHBondContact O-N 2.77Å
526N98.1Very high98.1Very high68 Ų6852.9 Ų52.936%0.36430%0.297SS..THydrogen-bonded Turntrans4954.3-170.4178.830.6000111.2A485 Y521 D522A485-N526 WeakPolarHBondContact CB-O 3.43Å; A485-N526 WeakPolarHBondContact CB-OD1 3.37Å; A485-N526 PolarHBondContact N-OD1 3Å; Y521-N526 WeakPolarHBondContact OH-CA 3.46Å; Y521-N526 PolarHBondContact OH-OD1 3.1Å; D522-N526 WeakPolarHBondContact O-CA 3.25Å; D522-N526 PolarHBondContact O-N 3.12Å
527K98.4Very high98.1Very high142 Ų14256.9 Ų56.962%0.61731%0.313SS*.EExtended strand (participates in β ladder)trans-146.6138.3-172.9-170.4-177.6175.2-169.70111.9D522 A525D522-K527 PolarHBondContact N-O 3.46Å; D522-K527 PolarHBondContact O-N 3.18Å; A525-K527 VanDerWaalsContact C-N 3.33Å; A525-K527 HydrophobicContact CB-CB 4.19Å; A525-K527 PolarHBondContact O-N 2.77Å
528W98.6Very high98.1Very high20 Ų2056.1 Ų56.18%0.07631%0.307CS..EExtended strand (participates in β ladder)trans-90.2146170.5-6792.7000111.9I458 V471 A485 L487 V505 E519 V520 Y521I458-W528 HydrophobicContact CD1-CH2 4.28Å; I458-W528 HydrophobicContact CD1-CZ2 4.4Å; I458-W528 HydrophobicContact CG2-CH2 4.27Å; I458-W528 HydrophobicContact CG2-CZ2 4.25Å; V471-W528 HydrophobicContact CG2-CZ2 3.9Å; A485-W528 PolarHBondContact O-NE1 2.98Å; L487-W528 HydrophobicContact CD2-CD2 3.92Å; L487-W528 HydrophobicContact CD2-CE3 3.88Å; L487-W528 HydrophobicContact CD2-CH2 3.45Å; L487-W528 VanDerWaalsContact CD2-CH2 3.45Å; L487-W528 HydrophobicContact CD2-CZ2 3.49Å; L487-W528 VanDerWaalsContact CD2-CZ2 3.49Å; L487-W528 HydrophobicContact CD2-CZ3 3.66Å; L487-W528 HydrophobicContact CG-CH2 4.5Å; L487-W528 HydrophobicContact CG-CZ2 4.13Å; V505-W528 HydrophobicContact CG1-CH2 3.85Å; V505-W528 HydrophobicContact CG1-CZ3 4.1Å; V505-W528 HydrophobicContact CG2-CH2 4.19Å; V505-W528 HydrophobicContact CG2-CZ3 3.75Å; E519-W528 HydrophobicContact CB-CE3 3.66Å; E519-W528 HydrophobicContact CB-CZ3 4.03Å; V520-W528 CarbonylContact O-C 3.57Å; V520-W528 WeakPolarHBondContact O-CA 3.41Å; Y521-W528 AromaticContact CD2-CD1 3.74Å; Y521-W528 AromaticContact CD2-CD2 3.88Å; Y521-W528 HydrophobicContact CD2-CD2 3.88Å; Y521-W528 AromaticContact CD2-CE2 3.52Å; Y521-W528 HydrophobicContact CD2-CG 4.01Å; Y521-W528 HydrophobicContact CD2-CZ2 4.02Å; Y521-W528 AromaticContact CD2-NE1 3.41Å; Y521-W528 AromaticContact CE2-NE1 3.98Å; Y521-W528 HydrophobicContact CG-CD2 4.24Å; Y521-W528 AromaticContact CG-CE2 3.9Å; Y521-W528 HydrophobicContact CG-CH2 4.34Å; Y521-W528 AromaticContact CG-CZ2 3.96Å; Y521-W528 HydrophobicContact CG-CZ2 3.96Å
529S98.3Very high98.1Very high61 Ų6156.7 Ų56.743%0.42731%0.312SS..EExtended strand (participates in β ladder)trans-136.1149.8170.248.30000110.8E519 V520E519-S529 WeakPolarHBondContact CA-O 3.36Å; V520-S529 PolarHBondContact N-O 3.44Å; V520-S529 PolarHBondContact O-N 2.84Å; V520-S529 PolarHBondContact O-OG 3.09Å
530E98Very high98Very high168 Ų16858.8 Ų58.879%0.78533%0.327SS*.EExtended strand (participates in β ladder)trans-66149.4171.2-66.4177.4175.100111
531F98.2Very high98Very high44 Ų4458.8 Ų58.819%0.19333%0.327CS..EExtended strand (participates in β ladder)trans-133.4171.3177.7-166.2-100.8000110.3Y504 V518 V520 E533 Y578Y504-F531 HydrophobicContact CD1-CE1 4.46Å; Y504-F531 HydrophobicContact CD1-CZ 4.47Å; Y504-F531 HydrophobicContact CE1-CD1 4.45Å; Y504-F531 HydrophobicContact CE1-CD2 4.14Å; Y504-F531 HydrophobicContact CE1-CE1 4.06Å; Y504-F531 AromaticContact CE1-CE2 3.74Å; Y504-F531 HydrophobicContact CE1-CE2 3.74Å; Y504-F531 HydrophobicContact CE1-CG 4.45Å; Y504-F531 AromaticContact CE1-CZ 3.66Å; Y504-F531 HydrophobicContact CE1-CZ 3.66Å; V518-F531 HydrophobicContact CB-CB 4.06Å; V518-F531 HydrophobicContact CB-CD1 4.2Å; V518-F531 HydrophobicContact CG1-CB 3.91Å; V518-F531 HydrophobicContact CG1-CD1 3.71Å; V518-F531 HydrophobicContact CG1-CG 4.18Å; V518-F531 PolarHBondContact O-N 3.29Å; V520-F531 HydrophobicContact CG2-CB 3.81Å; V520-F531 HydrophobicContact CG2-CD2 3.66Å; V520-F531 HydrophobicContact CG2-CE2 4.35Å; V520-F531 HydrophobicContact CG2-CG 3.82Å; F531-E533 PolarHBondContact O-N 3.31Å; F531-E533 VanDerWaalsContact O-N 3.09Å; F531-Y578 HydrophobicContact CD1-CE2 4.36Å; F531-Y578 HydrophobicContact CE1-CD1 4.14Å; F531-Y578 AromaticContact CE1-CD2 3.81Å; F531-Y578 HydrophobicContact CE1-CD2 3.81Å; F531-Y578 AromaticContact CE1-CE1 3.77Å; F531-Y578 HydrophobicContact CE1-CE1 3.77Å; F531-Y578 AromaticContact CE1-CE2 3.39Å; F531-Y578 HydrophobicContact CE1-CE2 3.39Å; F531-Y578 HydrophobicContact CE1-CG 4.14Å; F531-Y578 AromaticContact CE1-CZ 3.33Å; F531-Y578 HydrophobicContact CE2-CE1 4.19Å; F531-Y578 AromaticContact CZ-CD1 3.8Å; F531-Y578 HydrophobicContact CZ-CD1 3.8Å; F531-Y578 HydrophobicContact CZ-CD2 4.27Å; F531-Y578 AromaticContact CZ-CE1 3.21Å; F531-Y578 HydrophobicContact CZ-CE1 3.21Å; F531-Y578 AromaticContact CZ-CE2 3.74Å; F531-Y578 HydrophobicContact CZ-CE2 3.74Å; F531-Y578 HydrophobicContact CZ-CG 4.28Å; F531-Y578 AromaticContact CZ-CZ 3.13Å; F531-Y578 VanDerWaalsContact CZ-OH 3.24Å; F531-Y578 WeakPolarHBondContact CZ-OH 3.48Å
532T98.4Very high98Very high46 Ų4660.8 Ų60.828%0.28234%0.338SS..PPolyproline II helixtrans-54.2118.8176.9-53.50000110.6V518 Y578 K583 W585V518-T532 VanDerWaalsContact CG2-O 3.3Å; V518-T532 WeakPolarHBondContact CG2-O 3.19Å; T532-Y578 HydrophobicContact CG2-CE2 4.25Å; T532-Y578 PolarHBondContact OG1-OH 3.48Å; T532-K583 WeakPolarHBondContact CG2-O 3.28Å; T532-K583 PolarHBondContact OG1-O 3.16Å; T532-W585 PolarHBondContact O-NE1 3.27Å
533E98.4Very high98Very high124 Ų12458.6 Ų58.658%0.57933%0.326SS*.PPolyproline II helixtrans-57.9145.3178.3-62.6-169.6155.200111.7F531 W585F531-E533 PolarHBondContact O-N 3.31Å; F531-E533 VanDerWaalsContact O-N 3.09Å; E533-W585 VanDerWaalsContact O-CD1 3.26Å
534F98.6Very high98Very high4 Ų457.2 Ų57.22%0.01832%0.319CS..PPolyproline II helixtrans-72.4143.8174.8-172.6-111.4000109.7T507 S516 V518 Q536 R538 L541 A552 W576 W585T507-F534 HydrophobicContact CG2-CB 3.76Å; T507-F534 HydrophobicContact CG2-CD1 3.6Å; T507-F534 HydrophobicContact CG2-CG 3.91Å; S516-F534 VanDerWaalsContact CB-O 3.24Å; S516-F534 WeakPolarHBondContact CB-O 3.43Å; S516-F534 PolarHBondContact O-N 3.49Å; V518-F534 HydrophobicContact CG2-CB 4.17Å; F534-Q536 WeakPolarHBondContact CD1-O 3.42Å; F534-Q536 HydrophobicContact CE1-CB 4.43Å; F534-Q536 PolarHBondContact O-N 2.95Å; F534-R538 HydrophobicContact CE1-CG 4.24Å; F534-L541 HydrophobicContact CE1-CD1 4.42Å; F534-L541 HydrophobicContact CZ-CD1 4.34Å; F534-A552 HydrophobicContact CD2-CB 4.25Å; F534-A552 HydrophobicContact CE2-CB 3.7Å; F534-A552 HydrophobicContact CZ-CB 4.38Å; F534-W576 HydrophobicContact CE2-CB 3.96Å; F534-W576 HydrophobicContact CE2-CD2 4.18Å; F534-W576 AromaticContact CE2-CG 3.78Å; F534-W576 HydrophobicContact CE2-CG 3.78Å; F534-W576 AromaticContact CZ-CD1 3.71Å; F534-W576 HydrophobicContact CZ-CD2 4.3Å; F534-W576 AromaticContact CZ-CG 3.94Å; F534-W576 HydrophobicContact CZ-CG 3.94Å; F534-W576 AromaticContact CZ-NE1 3.95Å; F534-W585 AromaticContact CD2-CD2 3.87Å; F534-W585 HydrophobicContact CD2-CD2 3.87Å; F534-W585 HydrophobicContact CD2-CE3 4.24Å; F534-W585 HydrophobicContact CD2-CG 4.08Å; F534-W585 HydrophobicContact CE2-CD2 4.36Å; F534-W585 HydrophobicContact CE2-CE3 4.34Å
535P97.9Very high98.1Very high75 Ų7554.3 Ų54.349%0.48729%0.292SS..SBendtrans-65.1-8.4-170.2-27.939.5000116.4W576 W585P535-W576 HydrophobicContact CB-CH2 3.94Å; P535-W576 HydrophobicContact CB-CZ2 4.49Å; P535-W576 HydrophobicContact CB-CZ3 4.12Å; P535-W576 HydrophobicContact CG-CE3 3.97Å; P535-W576 HydrophobicContact CG-CH2 3.93Å; P535-W576 HydrophobicContact CG-CZ3 3.58Å; P535-W585 HydrophobicContact CG-CB 3.71Å; P535-W585 HydrophobicContact CG-CG 4.36Å
536Q97.6Very high97.9Very high54 Ų5452 Ų5225%0.25227%0.272SS..SBendtrans-147144-178.9-169.3178.835.700110.8F534 R538 A557 M559F534-Q536 WeakPolarHBondContact CD1-O 3.42Å; F534-Q536 HydrophobicContact CE1-CB 4.43Å; F534-Q536 PolarHBondContact O-N 2.95Å; Q536-R538 HydrophobicContact CB-CG 4.5Å; Q536-R538 HydrophobicContact CG-CG 4.47Å; Q536-R538 PolarHBondContact O-N 2.98Å; Q536-R538 VanDerWaalsContact OE1-CZ 3.3Å; Q536-A557 HydrophobicContact CG-CB 4.21Å; Q536-M559 PolarHBondContact NE2-SD 3.21Å
537E98.4Very high97.4Very high103 Ų10351 Ų5148%0.48128%0.277SS..  trans-71.7127.6171.9-54.2-176.3162.100110.6L514L514-E537 HydrophobicContact CB-CB 3.62Å
538R98.4Very high97.1Very high1 Ų147 Ų470%0.00428%0.277CS..  trans-141.1154.5-177.3-64.2-166-178.6172.20.3113.5T507 G508 T515 F534 Q536 G554 Y556 A557 D574T507-R538 WeakPolarHBondContact CB-O 3.48Å; T507-R538 HydrophobicContact CG2-CB 4.29Å; T507-R538 PolarHBondContact OG1-O 3.39Å; G508-R538 WeakPolarHBondContact CA-O 3.48Å; G508-R538 PolarHBondContact N-O 3.48Å; T515-R538 PolarHBondContact O-N 2.83Å; F534-R538 HydrophobicContact CE1-CG 4.24Å; Q536-R538 HydrophobicContact CB-CG 4.5Å; Q536-R538 HydrophobicContact CG-CG 4.47Å; Q536-R538 PolarHBondContact O-N 2.98Å; Q536-R538 VanDerWaalsContact OE1-CZ 3.3Å; R538-G554 VanDerWaalsContact CD-O 3.29Å; R538-G554 WeakPolarHBondContact CD-O 3.49Å; R538-G554 PolarHBondContact NH1-O 3.08Å; R538-Y556 CarbonylContact C-O 3.54Å; R538-Y556 VanDerWaalsContact CA-O 3.26Å; R538-Y556 WeakPolarHBondContact CA-O 3.41Å; R538-A557 HydrophobicContact CG-CB 4.19Å; R538-D574 IonicContact CZ-OD1 2.83Å; R538-D574 VanDerWaalsContact CZ-OD1 3.26Å; R538-D574 IonicContact CZ-OD2 3.63Å; R538-D574 IonicContact NH1-OD1 3.76Å; R538-D574 PolarHBondContact NH1-OD1 3.21Å; R538-D574 IonicContact NH1-OD2 3.8Å; R538-D574 VanDerWaalsContact NH2-CG 3.29Å; R538-D574 IonicContact NH2-OD1 3.7Å; R538-D574 PolarHBondContact NH2-OD1 3.33Å; R538-D574 VanDerWaalsContact NH2-OD1 3.1Å; R538-D574 IonicContact NH2-OD2 3.52Å; R538-D574 PolarHBondContact NH2-OD2 2.92Å
539S98.3Very high97Very high17 Ų1751.3 Ų51.312%0.11929%0.294CS..BIsolated β-bridgetrans-110159.5161.960.20000111.1L493 L541 G555 Y556L493-S539 CarbonylContact O-C 3.53Å; L493-S539 WeakPolarHBondContact O-CA 3.25Å; S539-L541 PolarHBondContact O-N 3.37Å; S539-L541 VanDerWaalsContact O-N 3.1Å; S539-G555 CarbonylContact O-C 3.49Å; S539-G555 WeakPolarHBondContact O-CA 3.3Å; S539-Y556 PolarHBondContact N-O 2.95Å; S539-Y556 PolarHBondContact O-N 3.25Å
540S97.6Very high97Very high47 Ų4748.5 Ų48.533%0.32927%0.274SS..SBendtrans52.532.3177.7-50.70000114.2L493 G555L493-S540 PolarHBondContact O-N 3.01Å; S540-G555 WeakPolarHBondContact O-CA 3.37Å
541L98.1Very high97Very high5 Ų540.7 Ų40.73%0.02624%0.237CC..  trans-62.4136173-177.470.8000108.9G495 A506 T507 F534 S539 A552 G554G495-L541 WeakPolarHBondContact CA-O 3.25Å; G495-L541 PolarHBondContact N-O 2.99Å; A506-L541 HydrophobicContact CB-CD2 3.89Å; T507-L541 HydrophobicContact CG2-CD2 3.75Å; T507-L541 WeakPolarHBondContact OG1-CB 3.31Å; F534-L541 HydrophobicContact CE1-CD1 4.42Å; F534-L541 HydrophobicContact CZ-CD1 4.34Å; S539-L541 PolarHBondContact O-N 3.37Å; S539-L541 VanDerWaalsContact O-N 3.1Å; L541-A552 HydrophobicContact CD1-CB 4.16Å; L541-A552 HydrophobicContact CD2-CB 4Å; L541-A552 HydrophobicContact CG-CB 4.35Å; L541-G554 WeakPolarHBondContact CD1-O 3.39Å
542N97.9Very high97Very high45 Ų4538.6 Ų38.624%0.24123%0.228CC..EExtended strand (participates in β ladder)trans-90.6125.8169.6-65.6-86.3000109A552 I553 I600N542-A552 CarbonylContact O-C 3.55Å; N542-A552 WeakPolarHBondContact O-CA 3.07Å; N542-I553 HydrophobicContact CB-CB 4.39Å; N542-I553 PolarHBondContact N-O 2.87Å; N542-I553 PolarHBondContact O-N 3.44Å; N542-I600 HydrophobicContact CB-CB 3.73Å; N542-I600 HydrophobicContact CB-CG1 3.63Å; N542-I600 VanDerWaalsContact CG-CG1 3.43Å
543L98.3Very high97Very high10 Ų1036.5 Ų36.55%0.05222%0.215CC..EExtended strand (participates in β ladder)trans-114.8127.1176.3-165.473000108A497 A506 L550 Y551 A552 W585A497-L543 HydrophobicContact CB-CB 4.07Å; A497-L543 HydrophobicContact CB-CD2 3.8Å; A497-L543 HydrophobicContact CB-CG 3.74Å; A506-L543 HydrophobicContact CB-CD1 4.46Å; A506-L543 HydrophobicContact CB-CD2 4.35Å; L543-L550 HydrophobicContact CD1-CD1 3.93Å; L543-L550 HydrophobicContact CD1-CD2 4.32Å; L543-L550 HydrophobicContact CD1-CG 4Å; L543-L550 HydrophobicContact CD2-CD1 4.11Å; L543-L550 HydrophobicContact CG-CD1 3.77Å; L543-L550 HydrophobicContact CG-CG 4.4Å; L543-Y551 WeakPolarHBondContact CA-O 3.41Å; L543-Y551 WeakPolarHBondContact CD1-O 3.19Å; L543-A552 HydrophobicContact CD1-CB 4.07Å; L543-W585 HydrophobicContact CD1-CH2 3.9Å
544I97.8Very high96.9Very high8 Ų830.8 Ų30.84%0.04119%0.189CC..EExtended strand (participates in β ladder)trans-136.7148.9-178.964.2169.8000111V311 T546 Y551 I553 I600 P602V311-I544 HydrophobicContact CB-CD1 4.32Å; V311-I544 HydrophobicContact CG1-CD1 3.91Å; V311-I544 HydrophobicContact CG2-CD1 3.74Å; I544-T546 HydrophobicContact CD1-CG2 4.32Å; I544-Y551 PolarHBondContact N-O 3.07Å; I544-Y551 PolarHBondContact O-N 3.34Å; I544-I553 HydrophobicContact CD1-CD1 3.74Å; I544-I553 HydrophobicContact CG1-CD1 4.12Å; I544-I600 HydrophobicContact CD1-CG2 4.08Å; I544-I600 HydrophobicContact CG2-CG2 4.29Å; I544-P602 HydrophobicContact CB-CG 4.46Å
545S96.6Very high96.8Very high40 Ų4030.8 Ų30.828%0.2819%0.191SC..EExtended strand (participates in β ladder)trans-110.2117.9172.2175.60000109V498 H499 Y549V498-S545 WeakPolarHBondContact O-CB 3.41Å; H499-S545 PolarHBondContact ND1-OG 3.12Å; S545-Y549 WeakPolarHBondContact CA-O 3.31Å
546T94Very high96.8Very high11 Ų1131.4 Ų31.47%0.06718%0.184CC..EExtended strand (participates in β ladder)trans-151.3146.9179.6-1690000111.4V311 I544 G548 Y549 Y551V311-T546 HydrophobicContact CG2-CG2 4.44Å; I544-T546 HydrophobicContact CD1-CG2 4.32Å; T546-G548 PolarHBondContact O-N 3.31Å; T546-Y549 PolarHBondContact N-O 3.42Å; T546-Y549 PolarHBondContact O-N 3.3Å; T546-Y551 HydrophobicContact CG2-CD2 3.75Å; T546-Y551 HydrophobicContact CG2-CE2 3.69Å
547G88.7Confident96.8Very high45 Ų4528.9 Ų28.946%0.46417%0.172SC..THydrogen-bonded Turntrans56.524.1-178.400000114.6Y549G547-Y549 VanDerWaalsContact C-N 3.32Å; G547-Y549 WeakPolarHBondContact O-CD2 3.39Å; G547-Y549 WeakPolarHBondContact O-CE2 3.49Å; G547-Y549 PolarHBondContact O-N 2.91Å
548G91.7Very high96.6Very high59 Ų5928.3 Ų28.361%0.60817%0.171SC*.THydrogen-bonded Turntrans78.66.3-175.200000115.5H499 T546H499-G548 PolarHBondContact CE1-O 3.36Å; T546-G548 PolarHBondContact O-N 3.31Å
549Y95.5Very high96.4Very high110 Ų11031.2 Ų31.243%0.43119%0.185SC..EExtended strand (participates in β ladder)trans-116.8155.3178.5-60.2-79.8000112S545 T546 G547 R577S545-Y549 WeakPolarHBondContact CA-O 3.31Å; T546-Y549 PolarHBondContact N-O 3.42Å; T546-Y549 PolarHBondContact O-N 3.3Å; G547-Y549 VanDerWaalsContact C-N 3.32Å; G547-Y549 WeakPolarHBondContact O-CD2 3.39Å; G547-Y549 WeakPolarHBondContact O-CE2 3.49Å; G547-Y549 PolarHBondContact O-N 2.91Å; Y549-R577 HydrophobicContact CD1-CG 4.4Å; Y549-R577 HydrophobicContact CG-CG 4.41Å
550L97.9Very high96.1Very high2 Ų236 Ų361%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-97.5124.1171.9-174.166.6000109.9A497 H499 Y504 L543 R577 Y578 W585A497-L550 HydrophobicContact CB-CD1 4.11Å; H499-L550 HydrophobicContact CB-CD1 4.06Å; Y504-L550 HydrophobicContact CD1-CD2 3.65Å; Y504-L550 HydrophobicContact CE1-CD2 4.02Å; Y504-L550 HydrophobicContact CG-CD2 4.14Å; L543-L550 HydrophobicContact CD1-CD1 3.93Å; L543-L550 HydrophobicContact CD1-CD2 4.32Å; L543-L550 HydrophobicContact CD1-CG 4Å; L543-L550 HydrophobicContact CD2-CD1 4.11Å; L543-L550 HydrophobicContact CG-CD1 3.77Å; L543-L550 HydrophobicContact CG-CG 4.4Å; L550-R577 WeakPolarHBondContact O-CA 3.26Å; L550-Y578 PolarHBondContact O-N 3.05Å; L550-W585 HydrophobicContact CD2-CH2 3.88Å; L550-W585 HydrophobicContact CD2-CZ2 4.42Å; L550-W585 HydrophobicContact CG-CH2 4.12Å
551Y98.2Very high95.7Very high4 Ų435.3 Ų35.32%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-116.8142.5178.7-65.7-95.2000111.6P324 L543 I544 T546 I575 W576 R577P324-Y551 HydrophobicContact CB-CE1 3.79Å; P324-Y551 HydrophobicContact CG-CE1 4.19Å; L543-Y551 WeakPolarHBondContact CA-O 3.41Å; L543-Y551 WeakPolarHBondContact CD1-O 3.19Å; I544-Y551 PolarHBondContact N-O 3.07Å; I544-Y551 PolarHBondContact O-N 3.34Å; T546-Y551 HydrophobicContact CG2-CD2 3.75Å; T546-Y551 HydrophobicContact CG2-CE2 3.69Å; Y551-I575 HydrophobicContact CD1-CG2 4.09Å; Y551-W576 CarbonylContact C-O 3.33Å; Y551-W576 VanDerWaalsContact CA-O 3.22Å; Y551-W576 WeakPolarHBondContact CA-O 3.44Å; Y551-R577 HydrophobicContact CD1-CB 3.84Å; Y551-R577 HydrophobicContact CD1-CG 4.06Å; Y551-R577 HydrophobicContact CE1-CB 3.75Å; Y551-R577 HydrophobicContact CE1-CG 3.72Å
552A98.3Very high95.2Very high0 Ų044.9 Ų44.90%026%0.256CS..EExtended strand (participates in β ladder)trans-120.2122.5175.400000109.2F534 L541 N542 L543 W576 W585F534-A552 HydrophobicContact CD2-CB 4.25Å; F534-A552 HydrophobicContact CE2-CB 3.7Å; F534-A552 HydrophobicContact CZ-CB 4.38Å; L541-A552 HydrophobicContact CD1-CB 4.16Å; L541-A552 HydrophobicContact CD2-CB 4Å; L541-A552 HydrophobicContact CG-CB 4.35Å; N542-A552 CarbonylContact O-C 3.55Å; N542-A552 WeakPolarHBondContact O-CA 3.07Å; L543-A552 HydrophobicContact CD1-CB 4.07Å; A552-W576 HydrophobicContact CB-CB 4.25Å; A552-W576 PolarHBondContact N-O 3.31Å; A552-W576 PolarHBondContact O-N 2.96Å; A552-W585 HydrophobicContact CB-CE3 4.17Å; A552-W585 HydrophobicContact CB-CH2 4.01Å; A552-W585 HydrophobicContact CB-CZ3 3.56Å
553I98.1Very high94.6Very high2 Ų249.2 Ų49.21%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-130.2122.7-167.1-59.6162.8000110V311 N542 I544 D574 I575 I600V311-I553 HydrophobicContact CG1-CD1 3.61Å; N542-I553 HydrophobicContact CB-CB 4.39Å; N542-I553 PolarHBondContact N-O 2.87Å; N542-I553 PolarHBondContact O-N 3.44Å; I544-I553 HydrophobicContact CD1-CD1 3.74Å; I544-I553 HydrophobicContact CG1-CD1 4.12Å; I553-D574 WeakPolarHBondContact CA-O 3.48Å; I553-I575 HydrophobicContact CG1-CB 4.42Å; I553-I575 HydrophobicContact CG1-CG1 4.15Å; I553-I575 HydrophobicContact CG1-CG2 4.05Å; I553-I575 HydrophobicContact CG2-CG1 4.22Å; I553-I600 HydrophobicContact CB-CG1 4.42Å; I553-I600 HydrophobicContact CD1-CG2 3.64Å; I553-I600 HydrophobicContact CG2-CD1 4.1Å; I553-I600 HydrophobicContact CG2-CG1 4.03Å
554G97.1Very high94Very high4 Ų451.1 Ų51.14%0.04130%0.298CS..EExtended strand (participates in β ladder)trans61.7-135.8172.200000116.2R538 L541 M572 D574R538-G554 VanDerWaalsContact CD-O 3.29Å; R538-G554 WeakPolarHBondContact CD-O 3.49Å; R538-G554 PolarHBondContact NH1-O 3.08Å; L541-G554 WeakPolarHBondContact CD1-O 3.39Å; G554-M572 CarbonylContact C-O 3.59Å; G554-M572 WeakPolarHBondContact CA-O 3.4Å; G554-D574 PolarHBondContact N-O 3.27Å
555G97.1Very high93.4Very high5 Ų560.4 Ų60.45%0.05234%0.341CS..EExtended strand (participates in β ladder)trans89.5177-172.600000113.1S539 S540 M572S539-G555 CarbonylContact O-C 3.49Å; S539-G555 WeakPolarHBondContact O-CA 3.3Å; S540-G555 WeakPolarHBondContact O-CA 3.37Å; G555-M572 WeakPolarHBondContact O-CA 3.29Å; G555-M572 VanDerWaalsContact O-CB 3.32Å; G555-M572 WeakPolarHBondContact O-CB 2.97Å; G555-M572 PolarHBondContact O-N 2.92Å
556Y97.6Very high93Very high88 Ų8865.7 Ų65.735%0.34536%0.361SS..EExtended strand (participates in β ladder)trans-105.8127.6-176.9-64.1-93.5000111.5R538 S539 T570 E571R538-Y556 CarbonylContact C-O 3.54Å; R538-Y556 VanDerWaalsContact CA-O 3.26Å; R538-Y556 WeakPolarHBondContact CA-O 3.41Å; S539-Y556 PolarHBondContact N-O 2.95Å; S539-Y556 PolarHBondContact O-N 3.25Å; Y556-T570 WeakPolarHBondContact CA-O 3.44Å; Y556-E571 HydrophobicContact CD1-CB 3.91Å; Y556-E571 HydrophobicContact CD1-CG 4.36Å; Y556-E571 HydrophobicContact CE1-CB 3.5Å; Y556-E571 VanDerWaalsContact CE1-CB 3.5Å; Y556-E571 HydrophobicContact CE1-CG 3.82Å; Y556-E571 HydrophobicContact CE2-CG 4.48Å; Y556-E571 VanDerWaalsContact OH-CD 3.23Å; Y556-E571 PolarHBondContact OH-OE2 3.3Å
557A97.1Very high92.8Very high0 Ų068.4 Ų68.40%038%0.379CS..EExtended strand (participates in β ladder)trans-116.8157.4175.300000110.9Q536 R538 M559 P569 T570 M572Q536-A557 HydrophobicContact CG-CB 4.21Å; R538-A557 HydrophobicContact CG-CB 4.19Å; A557-M559 HydrophobicContact CB-CG 4.5Å; A557-M559 PolarHBondContact O-N 3.13Å; A557-P569 WeakPolarHBondContact O-CA 3.41Å; A557-T570 PolarHBondContact N-O 3.4Å; A557-T570 PolarHBondContact O-N 2.87Å; A557-M572 HydrophobicContact CB-CG 3.89Å; A557-M572 HydrophobicContact CB-SD 4.14Å
558M95.4Very high93.1Very high92 Ų9268.5 Ų68.545%0.45337%0.371SS..EExtended strand (participates in β ladder)trans-83.6112.7171.3-61.8-55.4-63.800109.4L514 P567 P569L514-M558 HydrophobicContact CD1-CG 3.92Å; M558-P567 HydrophobicContact CB-CB 3.97Å; M558-P567 HydrophobicContact CE-CB 4.08Å; M558-P567 WeakPolarHBondContact CE-O 3.48Å; M558-P569 HydrophobicContact CE-CG 4.14Å; M558-P569 HydrophobicContact SD-CB 4.17Å; M558-P569 HydrophobicContact SD-CG 3.84Å
559M93.9Very high93.2Very high61 Ų6170.2 Ų70.230%0.337%0.371SS..EExtended strand (participates in β ladder)trans-115.3146-176.2-65.6-62.2-71.300111.6Q536 A557 P567 V568 T570 M572Q536-M559 PolarHBondContact NE2-SD 3.21Å; A557-M559 HydrophobicContact CB-CG 4.5Å; A557-M559 PolarHBondContact O-N 3.13Å; M559-P567 CarbonylContact O-C 3.53Å; M559-P567 VanDerWaalsContact O-CA 3.24Å; M559-P567 WeakPolarHBondContact O-CA 3.36Å; M559-V568 PolarHBondContact N-O 3.11Å; M559-V568 PolarHBondContact O-N 3.49Å; M559-T570 HydrophobicContact CG-CG2 4.44Å; M559-M572 HydrophobicContact CG-SD 4.28Å; M559-M572 HydrophobicContact SD-SD 4.41Å
560P92.1Very high93.2Very high117 Ų11767.6 Ų67.676%0.7637%0.367SS*.  trans-58.6139.8172.3-20.231.6000111.2
561S87.9Confident93.1Very high33 Ų3370 Ų7023%0.23138%0.378CS..  trans-113143.4175.3179.10000110.3T563 S564S561-T563 PolarHBondContact O-N 3.25Å; S561-T563 PolarHBondContact OG-N 2.9Å; S561-T563 VanDerWaalsContact OG-N 3.13Å; S561-T563 PolarHBondContact OG-OG1 2.81Å; S561-S564 VanDerWaalsContact O-O 3.07Å
562E87.6Confident93Very high206 Ų20671.5 Ų71.596%0.96339%0.386SS*.SBendtrans-71.6-18.2170.7-63-172.5167.500112.3
563T85.4Confident92.9Very high137 Ų13772.5 Ų72.584%0.8439%0.391SS*.SBendtrans-106.1-7.4-172.757.80000113.9S561S561-T563 PolarHBondContact O-N 3.25Å; S561-T563 PolarHBondContact OG-N 2.9Å; S561-T563 VanDerWaalsContact OG-N 3.13Å; S561-T563 PolarHBondContact OG-OG1 2.81Å
564S85.3Confident92.9Very high49 Ų4973 Ų7334%0.34339%0.394SS..  trans-139.3137.5-177.3170.60000110.2S561 E566S561-S564 VanDerWaalsContact O-O 3.07Å; S564-E566 VanDerWaalsContact C-N 3.25Å; S564-E566 WeakPolarHBondContact CB-O 3.21Å; S564-E566 PolarHBondContact OG-N 3.22Å; S564-E566 VanDerWaalsContact OG-N 3.14Å; S564-E566 PolarHBondContact OG-O 2.92Å
565E86.1Confident92.9Very high204 Ų20472.8 Ų72.895%0.95339%0.392SS*.SBendtrans-69.3-26.7172.3-67.7-173.7170.200112
566E88.3Confident93Very high150 Ų15075.1 Ų75.170%0.70140%0.4SS*.SBendtrans-88.5140.6174.5-65.9-173.1174.100110.9S564S564-E566 VanDerWaalsContact C-N 3.25Å; S564-E566 WeakPolarHBondContact CB-O 3.21Å; S564-E566 PolarHBondContact OG-N 3.22Å; S564-E566 VanDerWaalsContact OG-N 3.14Å; S564-E566 PolarHBondContact OG-O 2.92Å
567P90.5Very high93Very high68 Ų6874.1 Ų74.144%0.44240%0.395SS..  trans-54.1140.8170.4-23.733.7000111M558 M559M558-P567 HydrophobicContact CB-CB 3.97Å; M558-P567 HydrophobicContact CE-CB 4.08Å; M558-P567 WeakPolarHBondContact CE-O 3.48Å; M559-P567 CarbonylContact O-C 3.53Å; M559-P567 VanDerWaalsContact O-CA 3.24Å; M559-P567 WeakPolarHBondContact O-CA 3.36Å
568V93.6Very high93Very high47 Ų4774.4 Ų74.429%0.28540%0.396SS..EExtended strand (participates in β ladder)trans-104.7144.6177.6-63.90000110.3M559 T570M559-V568 PolarHBondContact N-O 3.11Å; M559-V568 PolarHBondContact O-N 3.49Å; V568-T570 PolarHBondContact O-N 3.41Å
569P93.9Very high93.1Very high96 Ų9671.6 Ų71.662%0.62338%0.383SS*.EExtended strand (participates in β ladder)trans-64.4119.7169.8-16.329.3000109.6A557 M558A557-P569 WeakPolarHBondContact O-CA 3.41Å; M558-P569 HydrophobicContact CE-CG 4.14Å; M558-P569 HydrophobicContact SD-CB 4.17Å; M558-P569 HydrophobicContact SD-CG 3.84Å
570T95.5Very high93.1Very high54 Ų5471.9 Ų71.933%0.33138%0.384SS..EExtended strand (participates in β ladder)trans-122.9134.1179.6-60.30000109.1Y556 A557 M559 V568 M572Y556-T570 WeakPolarHBondContact CA-O 3.44Å; A557-T570 PolarHBondContact N-O 3.4Å; A557-T570 PolarHBondContact O-N 2.87Å; M559-T570 HydrophobicContact CG-CG2 4.44Å; V568-T570 PolarHBondContact O-N 3.41Å; T570-M572 PolarHBondContact O-N 2.93Å
571E95.8Very high93.3Very high53 Ų5371.6 Ų71.625%0.24838%0.382CS..EExtended strand (participates in β ladder)trans-70.4127.4172.8-164.7161.5172.600109.9Y556 G597Y556-E571 HydrophobicContact CD1-CB 3.91Å; Y556-E571 HydrophobicContact CD1-CG 4.36Å; Y556-E571 HydrophobicContact CE1-CB 3.5Å; Y556-E571 VanDerWaalsContact CE1-CB 3.5Å; Y556-E571 HydrophobicContact CE1-CG 3.82Å; Y556-E571 HydrophobicContact CE2-CG 4.48Å; Y556-E571 VanDerWaalsContact OH-CD 3.23Å; Y556-E571 PolarHBondContact OH-OE2 3.3Å; E571-G597 PolarHBondContact OE1-N 3.39Å
572M97Very high93.7Very high36 Ų3676.7 Ų76.718%0.17740%0.402CS..EExtended strand (participates in β ladder)trans-95.9142.8172.7-52.4-58.6-6000107.8G554 G555 A557 M559 T570G554-M572 CarbonylContact C-O 3.59Å; G554-M572 WeakPolarHBondContact CA-O 3.4Å; G555-M572 WeakPolarHBondContact O-CA 3.29Å; G555-M572 VanDerWaalsContact O-CB 3.32Å; G555-M572 WeakPolarHBondContact O-CB 2.97Å; G555-M572 PolarHBondContact O-N 2.92Å; A557-M572 HydrophobicContact CB-CG 3.89Å; A557-M572 HydrophobicContact CB-SD 4.14Å; M559-M572 HydrophobicContact CG-SD 4.28Å; M559-M572 HydrophobicContact SD-SD 4.41Å; T570-M572 PolarHBondContact O-N 2.93Å
573T96.6Very high94.1Very high20 Ų2073.6 Ų73.612%0.12339%0.385CS..EExtended strand (participates in β ladder)trans-127.826.9177.856.20000110.9E591 I592 A595 E596T573-E591 CarbonylContact O-C 3.59Å; T573-I592 WeakPolarHBondContact CB-O 3.49Å; T573-I592 WeakPolarHBondContact O-CG2 3.38Å; T573-I592 PolarHBondContact O-N 3.47Å; T573-A595 HydrophobicContact CG2-CB 4.19Å; T573-E596 HydrophobicContact CG2-CB 4.22Å
574D97.3Very high94.7Very high13 Ų1369 Ų697%0.0736%0.358CS..EExtended strand (participates in β ladder)trans-85.6161.1176.457.1-12.5000111.9R538 I553 G554 W576 L589 R590R538-D574 IonicContact CZ-OD1 2.83Å; R538-D574 VanDerWaalsContact CZ-OD1 3.26Å; R538-D574 IonicContact CZ-OD2 3.63Å; R538-D574 IonicContact NH1-OD1 3.76Å; R538-D574 PolarHBondContact NH1-OD1 3.21Å; R538-D574 IonicContact NH1-OD2 3.8Å; R538-D574 VanDerWaalsContact NH2-CG 3.29Å; R538-D574 IonicContact NH2-OD1 3.7Å; R538-D574 PolarHBondContact NH2-OD1 3.33Å; R538-D574 VanDerWaalsContact NH2-OD1 3.1Å; R538-D574 IonicContact NH2-OD2 3.52Å; R538-D574 PolarHBondContact NH2-OD2 2.92Å; I553-D574 WeakPolarHBondContact CA-O 3.48Å; G554-D574 PolarHBondContact N-O 3.27Å; D574-W576 PolarHBondContact OD2-NE1 3.31Å; D574-L589 CarbonylContact C-O 3.17Å; D574-L589 VanDerWaalsContact CA-O 3.27Å; D574-L589 WeakPolarHBondContact CA-O 3.24Å; D574-L589 VanDerWaalsContact CB-O 3.23Å; D574-L589 WeakPolarHBondContact CB-O 3.41Å; D574-R590 WeakPolarHBondContact CB-O 3.44Å
575I97.5Very high95.3Very high0 Ų067.5 Ų67.50%035%0.345CS..EExtended strand (participates in β ladder)trans-123.1127.7-179.8-57-178.9000108.3Y322 Y551 I553 I588 L589 I592Y322-I575 HydrophobicContact CD1-CD1 3.48Å; Y322-I575 VanDerWaalsContact CD1-CD1 3.48Å; Y322-I575 HydrophobicContact CE1-CD1 3.28Å; Y322-I575 HydrophobicContact CG-CD1 4.4Å; Y551-I575 HydrophobicContact CD1-CG2 4.09Å; I553-I575 HydrophobicContact CG1-CB 4.42Å; I553-I575 HydrophobicContact CG1-CG1 4.15Å; I553-I575 HydrophobicContact CG1-CG2 4.05Å; I553-I575 HydrophobicContact CG2-CG1 4.22Å; I575-I588 HydrophobicContact CB-CB 4.41Å; I575-I588 HydrophobicContact CG2-CB 4.14Å; I575-I588 WeakPolarHBondContact O-CB 3.37Å; I575-I588 PolarHBondContact O-N 2.85Å; I575-L589 HydrophobicContact CB-CB 4.16Å; I575-L589 HydrophobicContact CD1-CB 4.49Å; I575-L589 HydrophobicContact CD1-CD2 4.5Å; I575-L589 HydrophobicContact CG1-CB 4.4Å; I575-L589 PolarHBondContact N-O 2.87Å; I575-L589 PolarHBondContact O-N 2.97Å; I575-I592 HydrophobicContact CD1-CD1 4.41Å; I575-I592 HydrophobicContact CD1-CG2 3.88Å; I575-I592 HydrophobicContact CG1-CG2 4.01Å
576W98.2Very high95.8Very high54 Ų5460.6 Ų60.621%0.20532%0.315CS..EExtended strand (participates in β ladder)trans-119.3147.6175.1-64.474.3000109.7F534 P535 Y551 A552 D574 W585 N586 G587F534-W576 HydrophobicContact CE2-CB 3.96Å; F534-W576 HydrophobicContact CE2-CD2 4.18Å; F534-W576 AromaticContact CE2-CG 3.78Å; F534-W576 HydrophobicContact CE2-CG 3.78Å; F534-W576 AromaticContact CZ-CD1 3.71Å; F534-W576 HydrophobicContact CZ-CD2 4.3Å; F534-W576 AromaticContact CZ-CG 3.94Å; F534-W576 HydrophobicContact CZ-CG 3.94Å; F534-W576 AromaticContact CZ-NE1 3.95Å; P535-W576 HydrophobicContact CB-CH2 3.94Å; P535-W576 HydrophobicContact CB-CZ2 4.49Å; P535-W576 HydrophobicContact CB-CZ3 4.12Å; P535-W576 HydrophobicContact CG-CE3 3.97Å; P535-W576 HydrophobicContact CG-CH2 3.93Å; P535-W576 HydrophobicContact CG-CZ3 3.58Å; Y551-W576 CarbonylContact C-O 3.33Å; Y551-W576 VanDerWaalsContact CA-O 3.22Å; Y551-W576 WeakPolarHBondContact CA-O 3.44Å; A552-W576 HydrophobicContact CB-CB 4.25Å; A552-W576 PolarHBondContact N-O 3.31Å; A552-W576 PolarHBondContact O-N 2.96Å; D574-W576 PolarHBondContact OD2-NE1 3.31Å; W576-W585 HydrophobicContact CB-CE3 4.12Å; W576-W585 HydrophobicContact CE3-CB 3.9Å; W576-W585 HydrophobicContact CZ3-CB 4.46Å; W576-N586 CarbonylContact C-O 3.03Å; W576-N586 WeakPolarHBondContact CA-O 3.35Å; W576-G587 VanDerWaalsContact CE3-N 3.32Å
577R97.7Very high96.2Very high67 Ų6755.9 Ų55.925%0.25331%0.306SS..EExtended strand (participates in β ladder)trans-123135.1172.7-173.4-176.468.3-168.1-1.6109.2Y549 L550 Y551 N586 I588Y549-R577 HydrophobicContact CD1-CG 4.4Å; Y549-R577 HydrophobicContact CG-CG 4.41Å; L550-R577 WeakPolarHBondContact O-CA 3.26Å; Y551-R577 HydrophobicContact CD1-CB 3.84Å; Y551-R577 HydrophobicContact CD1-CG 4.06Å; Y551-R577 HydrophobicContact CE1-CB 3.75Å; Y551-R577 HydrophobicContact CE1-CG 3.72Å; R577-N586 PolarHBondContact N-O 3.33Å; R577-N586 PolarHBondContact O-N 3.01Å; R577-I588 HydrophobicContact CB-CD1 3.78Å; R577-I588 HydrophobicContact CB-CG1 3.66Å
578Y98.3Very high96.4Very high5 Ų555.2 Ų55.22%0.0230%0.299CS..EExtended strand (participates in β ladder)trans-76.6132.4170.8-170-106.2000110.9F531 T532 L550 E580 K583 C584 W585F531-Y578 HydrophobicContact CD1-CE2 4.36Å; F531-Y578 HydrophobicContact CE1-CD1 4.14Å; F531-Y578 AromaticContact CE1-CD2 3.81Å; F531-Y578 HydrophobicContact CE1-CD2 3.81Å; F531-Y578 AromaticContact CE1-CE1 3.77Å; F531-Y578 HydrophobicContact CE1-CE1 3.77Å; F531-Y578 AromaticContact CE1-CE2 3.39Å; F531-Y578 HydrophobicContact CE1-CE2 3.39Å; F531-Y578 HydrophobicContact CE1-CG 4.14Å; F531-Y578 AromaticContact CE1-CZ 3.33Å; F531-Y578 HydrophobicContact CE2-CE1 4.19Å; F531-Y578 AromaticContact CZ-CD1 3.8Å; F531-Y578 HydrophobicContact CZ-CD1 3.8Å; F531-Y578 HydrophobicContact CZ-CD2 4.27Å; F531-Y578 AromaticContact CZ-CE1 3.21Å; F531-Y578 HydrophobicContact CZ-CE1 3.21Å; F531-Y578 AromaticContact CZ-CE2 3.74Å; F531-Y578 HydrophobicContact CZ-CE2 3.74Å; F531-Y578 HydrophobicContact CZ-CG 4.28Å; F531-Y578 AromaticContact CZ-CZ 3.13Å; F531-Y578 VanDerWaalsContact CZ-OH 3.24Å; F531-Y578 WeakPolarHBondContact CZ-OH 3.48Å; T532-Y578 HydrophobicContact CG2-CE2 4.25Å; T532-Y578 PolarHBondContact OG1-OH 3.48Å; L550-Y578 PolarHBondContact O-N 3.05Å; Y578-E580 HydrophobicContact CD1-CG 4.08Å; Y578-E580 HydrophobicContact CE1-CG 4.26Å; Y578-K583 WeakPolarHBondContact OH-CA 3.48Å; Y578-K583 WeakPolarHBondContact OH-CB 3.49Å; Y578-C584 WeakPolarHBondContact CD2-O 3.39Å; Y578-W585 AromaticContact CD2-CD2 3.95Å; Y578-W585 HydrophobicContact CD2-CD2 3.95Å; Y578-W585 AromaticContact CD2-CE2 3.82Å; Y578-W585 HydrophobicContact CD2-CE3 4.44Å; Y578-W585 HydrophobicContact CD2-CG 4.22Å; Y578-W585 HydrophobicContact CD2-CZ2 4.21Å; Y578-W585 AromaticContact CD2-NE1 3.98Å
579D97Very high96.5Very high34 Ų3454.8 Ų54.818%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-100.3105.5174.1-167.2-53.7000109P581 E582 K583 C584 N586D579-P581 WeakPolarHBondContact OD1-CD 3.34Å; D579-E582 HydrophobicContact CB-CB 4.29Å; D579-E582 PolarHBondContact OD1-N 2.75Å; D579-K583 WeakPolarHBondContact O-CA 3.28Å; D579-K583 PolarHBondContact O-N 2.9Å; D579-C584 PolarHBondContact N-O 3.34Å; D579-C584 PolarHBondContact O-N 2.93Å; D579-N586 WeakPolarHBondContact CB-ND2 3.39Å; D579-N586 PolarHBondContact OD2-ND2 2.75Å
580E94.3Very high96.5Very high67 Ų6761.2 Ų61.231%0.31331%0.306SS..THydrogen-bonded Turntrans-61.4-47.5-177.8-70.4-71.3173.100113H499 Y578 K583H499-E580 IonicContact CD2-OE1 3.84Å; H499-E580 IonicContact NE2-OE1 3.17Å; Y578-E580 HydrophobicContact CD1-CG 4.08Å; Y578-E580 HydrophobicContact CE1-CG 4.26Å; E580-K583 WeakPolarHBondContact O-CG 3.47Å; E580-K583 PolarHBondContact O-N 3.34Å
581P95.3Very high96.4Very high110 Ų11065 Ų6571%0.71432%0.32SS*.THydrogen-bonded Turntrans-56.6-48.1174.1-26.932000114.7D579D579-P581 WeakPolarHBondContact OD1-CD 3.34Å
582E96.1Very high96.2Very high141 Ų14162.9 Ų62.966%0.65931%0.31SS*.THydrogen-bonded Turntrans-87.9-8.9-174.9-63.1-60.5142.900113.1D579 C584D579-E582 HydrophobicContact CB-CB 4.29Å; D579-E582 PolarHBondContact OD1-N 2.75Å; E582-C584 VanDerWaalsContact C-N 3.28Å; E582-C584 PolarHBondContact O-N 3.42Å
583K96.6Very high95.7Very high140 Ų14065.1 Ų65.161%0.60933%0.329SS*.THydrogen-bonded Turntrans5340.8-177.7-61.1-173.9175.5-1730113.8T532 Y578 D579 E580T532-K583 WeakPolarHBondContact CG2-O 3.28Å; T532-K583 PolarHBondContact OG1-O 3.16Å; Y578-K583 WeakPolarHBondContact OH-CA 3.48Å; Y578-K583 WeakPolarHBondContact OH-CB 3.49Å; D579-K583 WeakPolarHBondContact O-CA 3.28Å; D579-K583 PolarHBondContact O-N 2.9Å; E580-K583 WeakPolarHBondContact O-CG 3.47Å; E580-K583 PolarHBondContact O-N 3.34Å
584C97.8Very high95.4Very high41 Ų4168.4 Ų68.428%0.27734%0.34SS..EExtended strand (participates in β ladder)trans-134.9158.5-175.870.40000112.6Y578 D579 E582Y578-C584 WeakPolarHBondContact CD2-O 3.39Å; D579-C584 PolarHBondContact N-O 3.34Å; D579-C584 PolarHBondContact O-N 2.93Å; E582-C584 VanDerWaalsContact C-N 3.28Å; E582-C584 PolarHBondContact O-N 3.42Å
585W98.3Very high94.8Very high17 Ų1768.1 Ų68.16%0.06434%0.339CS..EExtended strand (participates in β ladder)trans-90120.8172.4-69.597.5000109.8T532 E533 F534 P535 L543 L550 A552 W576 Y578T532-W585 PolarHBondContact O-NE1 3.27Å; E533-W585 VanDerWaalsContact O-CD1 3.26Å; F534-W585 AromaticContact CD2-CD2 3.87Å; F534-W585 HydrophobicContact CD2-CD2 3.87Å; F534-W585 HydrophobicContact CD2-CE3 4.24Å; F534-W585 HydrophobicContact CD2-CG 4.08Å; F534-W585 HydrophobicContact CE2-CD2 4.36Å; F534-W585 HydrophobicContact CE2-CE3 4.34Å; P535-W585 HydrophobicContact CG-CB 3.71Å; P535-W585 HydrophobicContact CG-CG 4.36Å; L543-W585 HydrophobicContact CD1-CH2 3.9Å; L550-W585 HydrophobicContact CD2-CH2 3.88Å; L550-W585 HydrophobicContact CD2-CZ2 4.42Å; L550-W585 HydrophobicContact CG-CH2 4.12Å; A552-W585 HydrophobicContact CB-CE3 4.17Å; A552-W585 HydrophobicContact CB-CH2 4.01Å; A552-W585 HydrophobicContact CB-CZ3 3.56Å; W576-W585 HydrophobicContact CB-CE3 4.12Å; W576-W585 HydrophobicContact CE3-CB 3.9Å; W576-W585 HydrophobicContact CZ3-CB 4.46Å; Y578-W585 AromaticContact CD2-CD2 3.95Å; Y578-W585 HydrophobicContact CD2-CD2 3.95Å; Y578-W585 AromaticContact CD2-CE2 3.82Å; Y578-W585 HydrophobicContact CD2-CE3 4.44Å; Y578-W585 HydrophobicContact CD2-CG 4.22Å; Y578-W585 HydrophobicContact CD2-CZ2 4.21Å; Y578-W585 AromaticContact CD2-NE1 3.98Å
586N97.5Very high94.5Very high59 Ų5974.1 Ų74.132%0.31637%0.367SS..EExtended strand (participates in β ladder)trans-103.6125.3177.5-73.8-36.9000110.2W576 R577 D579 I588W576-N586 CarbonylContact C-O 3.03Å; W576-N586 WeakPolarHBondContact CA-O 3.35Å; R577-N586 PolarHBondContact N-O 3.33Å; R577-N586 PolarHBondContact O-N 3.01Å; D579-N586 WeakPolarHBondContact CB-ND2 3.39Å; D579-N586 PolarHBondContact OD2-ND2 2.75Å; N586-I588 PolarHBondContact O-N 2.79Å
587G95.9Very high94.2Very high51 Ų5172.6 Ų72.653%0.52637%0.369SS..EExtended strand (participates in β ladder)trans-69.2120.9173.100000110.3W576W576-G587 VanDerWaalsContact CE3-N 3.32Å
588I94.9Very high94.1Very high54 Ų5470 Ų7028%0.27736%0.36SS..EExtended strand (participates in β ladder)trans-90.9-47178-59.3-57.5000110I575 R577 N586I575-I588 HydrophobicContact CB-CB 4.41Å; I575-I588 HydrophobicContact CG2-CB 4.14Å; I575-I588 WeakPolarHBondContact O-CB 3.37Å; I575-I588 PolarHBondContact O-N 2.85Å; R577-I588 HydrophobicContact CB-CD1 3.78Å; R577-I588 HydrophobicContact CB-CG1 3.66Å; N586-I588 PolarHBondContact O-N 2.79Å
589L94.9Very high94Very high38 Ų3870.8 Ų70.820%0.19937%0.366CS..EExtended strand (participates in β ladder)trans-144.4135.8-175.3-161.6110.4000109.6N327 D574 I575 E591 I592N327-L589 WeakPolarHBondContact OD1-CD1 3.46Å; D574-L589 CarbonylContact C-O 3.17Å; D574-L589 VanDerWaalsContact CA-O 3.27Å; D574-L589 WeakPolarHBondContact CA-O 3.24Å; D574-L589 VanDerWaalsContact CB-O 3.23Å; D574-L589 WeakPolarHBondContact CB-O 3.41Å; I575-L589 HydrophobicContact CB-CB 4.16Å; I575-L589 HydrophobicContact CD1-CB 4.49Å; I575-L589 HydrophobicContact CD1-CD2 4.5Å; I575-L589 HydrophobicContact CG1-CB 4.4Å; I575-L589 PolarHBondContact N-O 2.87Å; I575-L589 PolarHBondContact O-N 2.97Å; L589-E591 WeakPolarHBondContact CD2-O 3.48Å; L589-I592 HydrophobicContact CD2-CB 3.5Å; L589-I592 VanDerWaalsContact CD2-CB 3.5Å; L589-I592 HydrophobicContact CD2-CG2 4.08Å
590R93.5Very high94Very high232 Ų23269.6 Ų69.688%0.87536%0.359SS*.SBendtrans-81.8-28.5-176.2-175.6176.3176.5-176.2-1.4113.5D574D574-R590 WeakPolarHBondContact CB-O 3.44Å
591E93.4Very high94.2Very high133 Ų13367.1 Ų67.162%0.62135%0.348SS*.  trans-159.9121.3-175.5179.9174.7-165.200109.5T573 L589T573-E591 CarbonylContact O-C 3.59Å; L589-E591 WeakPolarHBondContact CD2-O 3.48Å
592I92.5Very high94.2Very high8 Ų863.5 Ų63.54%0.04132%0.324CS..  trans-120.1104.4166.9-179.1155.2000108.6M313 Y322 T573 I575 L589 Y594 A595M313-I592 HydrophobicContact CE-CD1 3.48Å; M313-I592 VanDerWaalsContact CE-CD1 3.48Å; M313-I592 HydrophobicContact CE-CG1 4.3Å; M313-I592 HydrophobicContact SD-CD1 3.72Å; M313-I592 HydrophobicContact SD-CG1 3.9Å; M313-I592 HydrophobicContact SD-CG2 4.33Å; Y322-I592 HydrophobicContact CD2-CD1 3.95Å; Y322-I592 HydrophobicContact CG-CD1 3.91Å; T573-I592 WeakPolarHBondContact CB-O 3.49Å; T573-I592 WeakPolarHBondContact O-CG2 3.38Å; T573-I592 PolarHBondContact O-N 3.47Å; I575-I592 HydrophobicContact CD1-CD1 4.41Å; I575-I592 HydrophobicContact CD1-CG2 3.88Å; I575-I592 HydrophobicContact CG1-CG2 4.01Å; L589-I592 HydrophobicContact CD2-CB 3.5Å; L589-I592 VanDerWaalsContact CD2-CB 3.5Å; L589-I592 HydrophobicContact CD2-CG2 4.08Å; I592-Y594 HydrophobicContact CG1-CD2 4.02Å; I592-Y594 PolarHBondContact O-N 2.89Å; I592-A595 HydrophobicContact CG2-CB 3.63Å; I592-A595 WeakPolarHBondContact O-CB 3.36Å; I592-A595 PolarHBondContact O-N 3.44Å
593C86.9Confident94.2Very high83 Ų8356.9 Ų56.956%0.56129%0.294SS*.G310 helixtrans-56.7-27.6-173.3-51.90000113.1A595 E596C593-A595 PolarHBondContact O-N 3.34Å; C593-E596 PolarHBondContact O-N 3.35Å
594Y88.6Confident94Very high90 Ų9054.4 Ų54.435%0.35328%0.281SS..G310 helixtrans-73.5-9.3179.1-47.5-66.5000114.3V320 C329 I592 S598 L613V320-Y594 HydrophobicContact CB-CG 4.16Å; V320-Y594 HydrophobicContact CG1-CD2 3.91Å; V320-Y594 HydrophobicContact CG1-CG 3.95Å; V320-Y594 HydrophobicContact CG2-CD1 3.82Å; V320-Y594 HydrophobicContact CG2-CE1 4.46Å; V320-Y594 HydrophobicContact CG2-CG 3.86Å; C329-Y594 HydrophobicContact CB-CE2 4.35Å; I592-Y594 HydrophobicContact CG1-CD2 4.02Å; I592-Y594 PolarHBondContact O-N 2.89Å; Y594-S598 PolarHBondContact O-OG 3.47Å; Y594-L613 HydrophobicContact CE1-CD1 4.21Å; Y594-L613 HydrophobicContact CE2-CD1 3.92Å
595A85.4Confident93.7Very high7 Ų753.1 Ų53.16%0.05827%0.271CS..G310 helixtrans-84-11.6175.800000113.2M313 T573 I592 C593 G597 S598M313-A595 HydrophobicContact CG-CB 4.37Å; M313-A595 HydrophobicContact SD-CB 3.87Å; T573-A595 HydrophobicContact CG2-CB 4.19Å; I592-A595 HydrophobicContact CG2-CB 3.63Å; I592-A595 WeakPolarHBondContact O-CB 3.36Å; I592-A595 PolarHBondContact O-N 3.44Å; C593-A595 PolarHBondContact O-N 3.34Å; A595-G597 PolarHBondContact O-N 2.92Å; A595-S598 WeakPolarHBondContact O-CB 3.42Å; A595-S598 PolarHBondContact O-N 3.35Å; A595-S598 VanDerWaalsContact O-N 3.09Å
596E91.9Very high93.3Very high125 Ų12552.8 Ų52.858%0.58427%0.27SS*.THydrogen-bonded Turntrans-63.4126.5179.4-169.3-176169.300110.9N315 T573 C593 S598N315-E596 PolarHBondContact ND2-O 3.25Å; T573-E596 HydrophobicContact CG2-CB 4.22Å; C593-E596 PolarHBondContact O-N 3.35Å; E596-S598 PolarHBondContact O-N 2.86Å; E596-S598 VanDerWaalsContact O-N 3.12Å; E596-S598 PolarHBondContact O-OG 3.38Å
597G91Very high92.9Very high23 Ų2351 Ų5124%0.23726%0.261CS..THydrogen-bonded Turntrans63.511.6-176.600000114.2E571 A595E571-G597 PolarHBondContact OE1-N 3.39Å; A595-G597 PolarHBondContact O-N 2.92Å
598S95.1Very high92.5Very high11 Ų1153.2 Ų53.28%0.07726%0.261CS..  trans-89.8140.1-172.8-66.20000112.3I314 N315 Y594 A595 E596I314-S598 WeakPolarHBondContact O-CA 3.48Å; N315-S598 WeakPolarHBondContact CB-OG 2.97Å; N315-S598 PolarHBondContact ND2-OG 3.03Å; Y594-S598 PolarHBondContact O-OG 3.47Å; A595-S598 WeakPolarHBondContact O-CB 3.42Å; A595-S598 PolarHBondContact O-N 3.35Å; A595-S598 VanDerWaalsContact O-N 3.09Å; E596-S598 PolarHBondContact O-N 2.86Å; E596-S598 VanDerWaalsContact O-N 3.12Å; E596-S598 PolarHBondContact O-OG 3.38Å
599T97Very high92.1Very high22 Ų2254 Ų5414%0.13526%0.26CS..EExtended strand (participates in β ladder)trans-82148.215560.30000109.1I314 H342 S344I314-T599 PolarHBondContact N-O 3.3Å; I314-T599 PolarHBondContact O-N 3.31Å; H342-T599 PolarHBondContact CD2-OG1 3.35Å; H342-T599 WeakPolarHBondContact NE2-CG2 3.47Å; H342-T599 PolarHBondContact NE2-OG1 3.4Å; H342-T599 WeakPolarHBondContact O-CG2 3.49Å; S344-T599 VanDerWaalsContact CB-OG1 3.26Å; S344-T599 WeakPolarHBondContact CB-OG1 3.25Å; S344-T599 WeakPolarHBondContact OG-CB 3.27Å; S344-T599 PolarHBondContact OG-OG1 3.25Å
600I97.7Very high91.9Very high9 Ų953.3 Ų53.35%0.04626%0.257CS..EExtended strand (participates in β ladder)trans-121.8128.4-171.6-47.3-66.2000110.5V311 L312 M313 N542 I544 I553V311-I600 HydrophobicContact CG1-CG2 3.48Å; V311-I600 VanDerWaalsContact CG1-CG2 3.48Å; L312-I600 VanDerWaalsContact O-CA 3.29Å; L312-I600 WeakPolarHBondContact O-CA 3.36Å; M313-I600 HydrophobicContact CB-CD1 4.19Å; M313-I600 HydrophobicContact CG-CD1 3.32Å; N542-I600 HydrophobicContact CB-CB 3.73Å; N542-I600 HydrophobicContact CB-CG1 3.63Å; N542-I600 VanDerWaalsContact CG-CG1 3.43Å; I544-I600 HydrophobicContact CD1-CG2 4.08Å; I544-I600 HydrophobicContact CG2-CG2 4.29Å; I553-I600 HydrophobicContact CB-CG1 4.42Å; I553-I600 HydrophobicContact CD1-CG2 3.64Å; I553-I600 HydrophobicContact CG2-CD1 4.1Å; I553-I600 HydrophobicContact CG2-CG1 4.03Å
601L97.1Very high91.8Very high15 Ų1547 Ų478%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-132.2145.7179.7-63.5174.7000112L312 I314 S344 V346 V352 V603L312-L601 HydrophobicContact CB-CB 4.43Å; L312-L601 PolarHBondContact N-O 3.25Å; L312-L601 PolarHBondContact O-N 3.34Å; I314-L601 HydrophobicContact CD1-CD1 3.93Å; S344-L601 WeakPolarHBondContact OG-CD1 3.48Å; S344-L601 WeakPolarHBondContact OG-CG 3.42Å; V346-L601 HydrophobicContact CB-CD1 4.31Å; V346-L601 HydrophobicContact CG1-CB 4.48Å; V346-L601 HydrophobicContact CG1-CD2 4.4Å; V352-L601 HydrophobicContact CG1-CD1 3.77Å; L601-V603 HydrophobicContact CB-CG1 4.26Å
602P97Very high91.8Very high34 Ų3446.1 Ų46.122%0.22124%0.238CC..EExtended strand (participates in β ladder)trans-77.8127.716434.2-32.5000109.4V346 I544V346-P602 HydrophobicContact CG1-CG 4.25Å; V346-P602 WeakPolarHBondContact CG1-O 3.46Å; I544-P602 HydrophobicContact CB-CG 4.46Å
603V95.8Very high91.7Very high2 Ų251.2 Ų51.21%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-136.1160.2179-620000110.8D309 L310 L312 V346 V352 L601 L605D309-V603 WeakPolarHBondContact CA-O 3.3Å; L310-V603 HydrophobicContact CB-CG2 4.23Å; L310-V603 PolarHBondContact N-O 2.68Å; L310-V603 PolarHBondContact O-N 2.87Å; L312-V603 HydrophobicContact CB-CB 4.44Å; L312-V603 HydrophobicContact CB-CG1 3.85Å; L312-V603 HydrophobicContact CB-CG2 3.72Å; L312-V603 HydrophobicContact CD1-CG2 4.31Å; L312-V603 HydrophobicContact CD2-CG1 3.81Å; L312-V603 HydrophobicContact CD2-CG2 4.41Å; L312-V603 HydrophobicContact CG-CG1 4.43Å; L312-V603 HydrophobicContact CG-CG2 4.38Å; V346-V603 HydrophobicContact CG2-CG1 4.23Å; V352-V603 HydrophobicContact CG2-CG1 3.8Å; L601-V603 HydrophobicContact CB-CG1 4.26Å; V603-L605 HydrophobicContact CB-CG 4.39Å; V603-L605 HydrophobicContact CG2-CD1 3.77Å; V603-L605 HydrophobicContact CG2-CG 3.79Å
604R92Very high91.9Very high89 Ų8949.7 Ų49.734%0.33625%0.25SS..EExtended strand (participates in β ladder)trans-107.4114.7167.8-65.6-170.7-58.6148.716.9109.2E192 M308 D309 N350E192-R604 VanDerWaalsContact CD-NH1 3.27Å; E192-R604 IonicContact OE1-CZ 3.26Å; E192-R604 VanDerWaalsContact OE1-CZ 3.31Å; E192-R604 IonicContact OE1-NH1 3.6Å; E192-R604 PolarHBondContact OE1-NH1 2.7Å; E192-R604 VanDerWaalsContact OE1-NH1 3.11Å; E192-R604 IonicContact OE1-NH2 3.1Å; E192-R604 PolarHBondContact OE1-NH2 3.3Å; E192-R604 IonicContact OE2-CZ 2.83Å; E192-R604 IonicContact OE2-NH1 3.57Å; E192-R604 PolarHBondContact OE2-NH1 3.36Å; E192-R604 IonicContact OE2-NH2 2.64Å; M308-R604 VanDerWaalsContact O-CA 3.31Å; M308-R604 WeakPolarHBondContact O-CA 3.33Å; D309-R604 WeakPolarHBondContact OD1-CD 3.13Å; D309-R604 WeakPolarHBondContact OD1-CG 3.33Å; N350-R604 PolarHBondContact ND2-O 3.25Å; N350-R604 PolarHBondContact OD1-N 2.75Å
605L92.1Very high92.1Very high13 Ų1347.5 Ų47.57%0.06825%0.245CC..EExtended strand (participates in β ladder)trans-130.1146.3179.7-65.1174000110.3E307 M308 L310 L312 A321 V332 F376 P378 V603 T607 L610E307-L605 WeakPolarHBondContact CA-O 3.36Å; M308-L605 PolarHBondContact N-O 3.49Å; M308-L605 PolarHBondContact O-N 3Å; L310-L605 HydrophobicContact CD1-CB 4.01Å; L312-L605 HydrophobicContact CD1-CD1 4.05Å; A321-L605 HydrophobicContact CB-CD1 4.33Å; V332-L605 HydrophobicContact CG1-CD1 4.09Å; V332-L605 HydrophobicContact CG2-CD1 3.84Å; F376-L605 HydrophobicContact CE1-CD2 4.34Å; P378-L605 HydrophobicContact CB-CD2 4.44Å; V603-L605 HydrophobicContact CB-CG 4.39Å; V603-L605 HydrophobicContact CG2-CD1 3.77Å; V603-L605 HydrophobicContact CG2-CG 3.79Å; L605-T607 PolarHBondContact O-N 3.41Å; L605-L610 HydrophobicContact CB-CD1 4.18Å; L605-L610 HydrophobicContact CD1-CD1 4.37Å
606N89.9Confident92.5Very high10 Ų1049.8 Ų49.85%0.05326%0.255CS..EExtended strand (participates in β ladder)trans-79.7109.4175.8-168.8-39.6000110F303 E307 L608 R609F303-N606 VanDerWaalsContact CE1-ND2 3.34Å; F303-N606 WeakPolarHBondContact CE1-ND2 3.41Å; F303-N606 PolarHBondContact O-ND2 3.41Å; E307-N606 HydrophobicContact CG-CB 4.08Å; N606-L608 PolarHBondContact O-N 2.93Å; N606-L608 VanDerWaalsContact O-N 3.17Å; N606-L608 WeakPolarHBondContact OD1-CB 3.3Å; N606-L608 PolarHBondContact OD1-N 3.18Å; N606-R609 HydrophobicContact CB-CG 4.36Å; N606-R609 WeakPolarHBondContact O-CB 3.47Å; N606-R609 PolarHBondContact O-N 3.04Å
607T88.7Confident92.5Very high21 Ų2145.4 Ų45.413%0.12924%0.236CC..G310 helixtrans-65-20.7-175.554.10000113.3F306 M308 L310 F330 L605 R609 L610F306-T607 PolarHBondContact O-N 2.83Å; F306-T607 PolarHBondContact O-OG1 3.44Å; M308-T607 HydrophobicContact CB-CG2 4.25Å; M308-T607 HydrophobicContact CG-CG2 4.17Å; M308-T607 HydrophobicContact SD-CG2 3.81Å; L310-T607 HydrophobicContact CD1-CG2 4.19Å; F330-T607 HydrophobicContact CE2-CG2 4.37Å; F330-T607 HydrophobicContact CZ-CG2 4.24Å; L605-T607 PolarHBondContact O-N 3.41Å; T607-R609 PolarHBondContact O-N 3.29Å; T607-L610 PolarHBondContact O-N 3.22Å; T607-L610 VanDerWaalsContact O-N 3.14Å
608L87.8Confident92.6Very high99 Ų9946.8 Ų46.852%0.51824%0.236SC..G310 helixtrans-69.7-19.3174.5-61.1-177.2000113.5F303 F306 N606 L610F303-L608 HydrophobicContact CD2-CD1 4.23Å; F303-L608 HydrophobicContact CE2-CB 4.11Å; F303-L608 HydrophobicContact CE2-CD1 4.46Å; F306-L608 HydrophobicContact CB-CD1 3.97Å; F306-L608 HydrophobicContact CB-CG 3.85Å; F306-L608 HydrophobicContact CD1-CD1 3.99Å; F306-L608 HydrophobicContact CD1-CD2 4.28Å; F306-L608 HydrophobicContact CD1-CG 4.07Å; F306-L608 HydrophobicContact CD2-CD1 3.32Å; F306-L608 HydrophobicContact CD2-CG 4.14Å; F306-L608 HydrophobicContact CE1-CD1 4.25Å; F306-L608 HydrophobicContact CE2-CD1 3.63Å; F306-L608 HydrophobicContact CG-CD1 3.49Å; F306-L608 VanDerWaalsContact CG-CD1 3.49Å; F306-L608 HydrophobicContact CG-CD2 4.48Å; F306-L608 HydrophobicContact CG-CG 3.77Å; F306-L608 HydrophobicContact CZ-CD1 4.07Å; N606-L608 PolarHBondContact O-N 2.93Å; N606-L608 VanDerWaalsContact O-N 3.17Å; N606-L608 WeakPolarHBondContact OD1-CB 3.3Å; N606-L608 PolarHBondContact OD1-N 3.18Å; L608-L610 VanDerWaalsContact C-N 3.35Å
609R86.8Confident92.4Very high70 Ų7049.1 Ų49.126%0.26425%0.247SC..G310 helixtrans-83.3-15.5172.7-66.8-170174.9-106.5-10112.9E161 F303 N606 T607E161-R609 IonicContact OE1-CZ 3.74Å; E161-R609 IonicContact OE1-NH1 3.75Å; E161-R609 PolarHBondContact OE1-NH1 2.9Å; E161-R609 IonicContact OE1-NH2 3.95Å; E161-R609 PolarHBondContact OE1-NH2 3.03Å; F303-R609 HydrophobicContact CE1-CG 4.31Å; F303-R609 HydrophobicContact CE2-CG 4.48Å; F303-R609 HydrophobicContact CZ-CG 3.56Å; N606-R609 HydrophobicContact CB-CG 4.36Å; N606-R609 WeakPolarHBondContact O-CB 3.47Å; N606-R609 PolarHBondContact O-N 3.04Å; T607-R609 PolarHBondContact O-N 3.29Å
610L90.8Very high92.1Very high23 Ų2351.1 Ų51.112%0.1226%0.255CS..SBendtrans-100.8148.4-168.2-50.1-179000110.9L310 A321 F330 V332 L605 T607 L608L310-L610 HydrophobicContact CD1-CD1 4.08Å; A321-L610 HydrophobicContact CB-CD1 4.4Å; F330-L610 HydrophobicContact CB-CB 3.75Å; F330-L610 HydrophobicContact CB-CD1 3.84Å; F330-L610 HydrophobicContact CB-CG 4.45Å; F330-L610 HydrophobicContact CD1-CB 4.11Å; F330-L610 HydrophobicContact CG-CB 4.22Å; F330-L610 HydrophobicContact CG-CD1 4.24Å; V332-L610 HydrophobicContact CB-CD2 4.47Å; V332-L610 HydrophobicContact CG2-CD1 4.13Å; V332-L610 HydrophobicContact CG2-CD2 4.09Å; L605-L610 HydrophobicContact CB-CD1 4.18Å; L605-L610 HydrophobicContact CD1-CD1 4.37Å; T607-L610 PolarHBondContact O-N 3.22Å; T607-L610 VanDerWaalsContact O-N 3.14Å; L608-L610 VanDerWaalsContact C-N 3.35Å
611T91Very high91.7Very high100 Ų10054.3 Ų54.361%0.61327%0.271SS*.EExtended strand (participates in β ladder)trans-90.6118.9173.7-58.70000108.7F330 V331F330-T611 CarbonylContact C-O 3.34Å; F330-T611 VanDerWaalsContact CA-O 3.3Å; F330-T611 WeakPolarHBondContact CA-O 3.38Å; V331-T611 PolarHBondContact N-O 3.22Å
612K93Very high91.2Very high114 Ų11457.6 Ų57.650%0.49629%0.287SS..EExtended strand (participates in β ladder)trans-65.5137.9175.5-172.8171.9178.5165.70111.2E328 F330E328-K612 VanDerWaalsContact CD-CE 3.46Å; E328-K612 IonicContact OE1-NZ 3.06Å; E328-K612 PolarHBondContact OE1-NZ 3.49Å; E328-K612 VanDerWaalsContact OE2-CE 3.23Å; E328-K612 WeakPolarHBondContact OE2-CE 3.15Å; E328-K612 IonicContact OE2-NZ 2.91Å; E328-K612 PolarHBondContact OE2-NZ 3.01Å; F330-K612 HydrophobicContact CD1-CB 4.03Å; F330-K612 HydrophobicContact CD1-CG 4.41Å; F330-K612 HydrophobicContact CE1-CB 4.06Å; F330-K612 HydrophobicContact CE1-CD 4.47Å; F330-K612 HydrophobicContact CE1-CG 4.18Å
613L89.7Confident90.7Very high116 Ų11659.7 Ų59.761%0.60729%0.293SS*.  trans-90.40177.9-78168.1000113.2V320 C329 V331 Y594V320-L613 HydrophobicContact CG1-CD1 3.89Å; V320-L613 HydrophobicContact CG2-CD1 4.09Å; C329-L613 HydrophobicContact CB-CB 3.99Å; C329-L613 HydrophobicContact CB-CD1 3.99Å; C329-L613 PolarHBondContact O-N 3.35Å; V331-L613 HydrophobicContact CG2-CD1 3.88Å; V331-L613 HydrophobicContact CG2-CD2 3.39Å; V331-L613 HydrophobicContact CG2-CG 3.54Å; Y594-L613 HydrophobicContact CE1-CD1 4.21Å; Y594-L613 HydrophobicContact CE2-CD1 3.92Å

Retrieved 613 of 613 residues in 1188 ms (Link to these results)

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