A0A5K4EH49_SCHMA Loading...

Putative malate dehydrogenase 1B

AlphaFold DB , UniProt , Accession A0A5K4EH49, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 453 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
1M73.2Confident91.9Very high115 Ų11524 Ų2457%0.56712%0.122SC*.  01330-151.316083.200107.8L3M1-L3 HydrophobicContact CE-CD1 4.36Å; M1-L3 HydrophobicContact CE-CD2 3.59Å; M1-L3 HydrophobicContact CE-CG 4.18Å
2A79.9Confident92.2Very high11 Ų1123 Ų239%0.09112%0.119CC..EExtended strand (participates in β ladder)trans-103.9108.4176.700000108F4 N31 F32 R33A2-F4 HydrophobicContact CB-CD2 4.27Å; A2-F4 HydrophobicContact CB-CE2 3.54Å; A2-F4 HydrophobicContact CB-CZ 4.29Å; A2-N31 PolarHBondContact N-O 3.28Å; A2-F32 HydrophobicContact CB-CD2 4.43Å; A2-R33 PolarHBondContact O-N 2.78Å
3L90.6Very high92.3Very high17 Ų1724 Ų249%0.08913%0.128CC..EExtended strand (participates in β ladder)trans-99.4118.6177.8-62.8174.4000108.1M1 R33 R67 E68 V70M1-L3 HydrophobicContact CE-CD1 4.36Å; M1-L3 HydrophobicContact CE-CD2 3.59Å; M1-L3 HydrophobicContact CE-CG 4.18Å; L3-R33 HydrophobicContact CD2-CB 3.72Å; L3-R33 HydrophobicContact CD2-CG 4.18Å; L3-R67 CarbonylContact O-C 3.53Å; L3-R67 VanDerWaalsContact O-CA 3.31Å; L3-R67 WeakPolarHBondContact O-CA 3.31Å; L3-R67 WeakPolarHBondContact O-CG 3.42Å; L3-E68 HydrophobicContact CB-CB 3.94Å; L3-E68 HydrophobicContact CD1-CB 4.36Å; L3-E68 PolarHBondContact O-N 3.36Å; L3-V70 VanDerWaalsContact CD1-O 3.29Å; L3-V70 WeakPolarHBondContact CD1-O 3.42Å
4F94Very high92.5Very high6 Ų629.6 Ų29.63%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-114.9147.5174.6-65.2-88.8000109.7A2 F32 R33 V34 T35 W66 R67 I79 F85 L88A2-F4 HydrophobicContact CB-CD2 4.27Å; A2-F4 HydrophobicContact CB-CE2 3.54Å; A2-F4 HydrophobicContact CB-CZ 4.29Å; F4-F32 HydrophobicContact CD2-CD2 4.09Å; F4-F32 HydrophobicContact CD2-CE1 4.05Å; F4-F32 AromaticContact CD2-CE2 3.47Å; F4-F32 HydrophobicContact CD2-CE2 3.47Å; F4-F32 VanDerWaalsContact CD2-CE2 3.47Å; F4-F32 AromaticContact CD2-CZ 3.43Å; F4-F32 HydrophobicContact CD2-CZ 3.43Å; F4-F32 VanDerWaalsContact CD2-CZ 3.43Å; F4-F32 AromaticContact CE2-CD2 3.76Å; F4-F32 HydrophobicContact CE2-CD2 3.76Å; F4-F32 AromaticContact CE2-CE2 3.16Å; F4-F32 HydrophobicContact CE2-CE2 3.16Å; F4-F32 AromaticContact CE2-CZ 3.63Å; F4-F32 HydrophobicContact CE2-CZ 3.63Å; F4-F32 HydrophobicContact CG-CZ 4.2Å; F4-F32 HydrophobicContact CZ-CE2 4.06Å; F4-R33 PolarHBondContact N-O 2.8Å; F4-V34 CarbonylContact O-C 3.55Å; F4-V34 VanDerWaalsContact O-CA 3.31Å; F4-V34 WeakPolarHBondContact O-CA 3.47Å; F4-T35 PolarHBondContact O-N 3.17Å; F4-W66 WeakPolarHBondContact CA-O 3.33Å; F4-R67 HydrophobicContact CD1-CB 4.26Å; F4-R67 HydrophobicContact CE1-CB 4.22Å; F4-R67 HydrophobicContact CE1-CG 4.4Å; F4-I79 HydrophobicContact CD1-CD1 3.49Å; F4-I79 VanDerWaalsContact CD1-CD1 3.49Å; F4-I79 HydrophobicContact CE1-CD1 3.44Å; F4-I79 VanDerWaalsContact CE1-CD1 3.44Å; F4-F85 HydrophobicContact CD1-CE2 4.07Å; F4-F85 HydrophobicContact CE1-CE2 4.38Å; F4-F85 HydrophobicContact CG-CE2 4.38Å; F4-L88 HydrophobicContact CE1-CD2 4.2Å; F4-L88 HydrophobicContact CZ-CD2 4.16Å
5V95.2Very high92.7Very high1 Ų127.7 Ų27.71%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-119.2124.6167.5-171.60000107.7T35 I37 V65 W66 E68V5-T35 WeakPolarHBondContact CA-O 3.15Å; V5-T35 HydrophobicContact CG1-CG2 4.36Å; V5-I37 HydrophobicContact CG1-CD1 3.63Å; V5-I37 HydrophobicContact CG1-CG1 4.03Å; V5-V65 WeakPolarHBondContact O-CA 3.33Å; V5-V65 WeakPolarHBondContact O-CG1 3.3Å; V5-W66 HydrophobicContact CB-CD2 3.78Å; V5-W66 HydrophobicContact CB-CE3 4.23Å; V5-W66 HydrophobicContact CB-CG 4.35Å; V5-W66 HydrophobicContact CB-CH2 3.99Å; V5-W66 HydrophobicContact CB-CZ2 3.5Å; V5-W66 VanDerWaalsContact CB-CZ2 3.5Å; V5-W66 HydrophobicContact CB-CZ3 4.31Å; V5-W66 HydrophobicContact CG1-CD2 4.34Å; V5-W66 HydrophobicContact CG1-CE3 4.45Å; V5-W66 HydrophobicContact CG1-CH2 3.43Å; V5-W66 VanDerWaalsContact CG1-CH2 3.43Å; V5-W66 HydrophobicContact CG1-CZ2 3.26Å; V5-W66 HydrophobicContact CG1-CZ3 4.03Å; V5-W66 HydrophobicContact CG2-CD2 4.43Å; V5-W66 HydrophobicContact CG2-CZ2 3.92Å; V5-W66 PolarHBondContact N-O 3.18Å; V5-W66 PolarHBondContact O-N 3.33Å; V5-W66 VanDerWaalsContact O-N 3.1Å; V5-E68 VanDerWaalsContact CG2-CD 3.45Å; V5-E68 HydrophobicContact CG2-CG 3.94Å
6I96Very high92.7Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-107.5125171.761.3173.6000107.9Y15 I18 E19 A22 V34 T35 K36 I37 V65I6-Y15 HydrophobicContact CB-CE2 4.44Å; I6-Y15 HydrophobicContact CD1-CE2 4.26Å; I6-Y15 HydrophobicContact CG1-CE2 4.21Å; I6-I18 HydrophobicContact CB-CD1 4.29Å; I6-I18 HydrophobicContact CG2-CD1 4.14Å; I6-E19 HydrophobicContact CD1-CB 4.12Å; I6-E19 HydrophobicContact CD1-CG 4.45Å; I6-A22 HydrophobicContact CD1-CB 3.88Å; I6-A22 HydrophobicContact CG2-CB 4.49Å; I6-V34 HydrophobicContact CD1-CG1 3.95Å; I6-V34 HydrophobicContact CG1-CG1 3.78Å; I6-V34 HydrophobicContact CG2-CG1 4.42Å; I6-T35 PolarHBondContact N-O 3.4Å; I6-K36 HydrophobicContact CD1-CD 4.17Å; I6-K36 HydrophobicContact CD1-CG 3.93Å; I6-K36 HydrophobicContact CG1-CB 4.37Å; I6-K36 HydrophobicContact CG1-CG 3.91Å; I6-I37 PolarHBondContact O-N 2.98Å; I6-V65 HydrophobicContact CG2-CB 4.48Å; I6-V65 HydrophobicContact CG2-CG1 3.83Å; I6-V65 HydrophobicContact CG2-CG2 3.94Å
7A96.6Very high92.7Very high0 Ų026.5 Ų26.50%013%0.132CC..EExtended strand (participates in β ladder)trans-124.6139.2176.300000110.4I37 F47 P63 V64 W66A7-I37 VanDerWaalsContact CA-O 3.24Å; A7-I37 WeakPolarHBondContact CA-O 3.29Å; A7-I37 HydrophobicContact CB-CB 3.84Å; A7-I37 HydrophobicContact CB-CG2 4.33Å; A7-F47 HydrophobicContact CB-CE1 3.56Å; A7-F47 HydrophobicContact CB-CZ 3.7Å; A7-P63 CarbonylContact O-C 3.56Å; A7-P63 VanDerWaalsContact O-CA 3.27Å; A7-P63 WeakPolarHBondContact O-CA 3.28Å; A7-P63 VanDerWaalsContact O-CB 3.3Å; A7-P63 WeakPolarHBondContact O-CB 3.49Å; A7-V64 HydrophobicContact CB-CG1 3.94Å; A7-V64 PolarHBondContact N-O 3.22Å; A7-V64 PolarHBondContact O-N 2.88Å; A7-W66 HydrophobicContact CB-CH2 4.14Å; A7-W66 HydrophobicContact CB-CZ3 3.83Å
8G96.9Very high92.8Very high0 Ų025 Ų250%013%0.125CC..EExtended strand (participates in β ladder)trans-168.1165.4-179.200000114.2Y15 I37 K39 W44 S62G8-Y15 VanDerWaalsContact CA-CD2 3.48Å; G8-I37 PolarHBondContact N-O 3.3Å; G8-K39 PolarHBondContact O-N 2.87Å; G8-W44 VanDerWaalsContact CA-CZ3 3.42Å; G8-S62 WeakPolarHBondContact CA-OG 3.27Å
9K97.3Very high92.8Very high46 Ų4624.5 Ų24.520%0.212%0.122CC..EExtended strand (participates in β ladder)trans-69.8135.2170.4-66.1177-97.1-170.40109.2N11 C12 K39 W44 S62K9-N11 VanDerWaalsContact CB-OD1 3.3Å; K9-N11 WeakPolarHBondContact CB-OD1 3.31Å; K9-N11 PolarHBondContact O-N 3.48Å; K9-N11 VanDerWaalsContact O-N 3.16Å; K9-C12 HydrophobicContact CB-CB 4.12Å; K9-C12 VanDerWaalsContact O-CB 3.24Å; K9-C12 WeakPolarHBondContact O-CB 3.42Å; K9-C12 PolarHBondContact O-N 3.41Å; K9-K39 CarbonylContact C-O 3.22Å; K9-K39 WeakPolarHBondContact CA-O 3.31Å; K9-W44 HydrophobicContact CD-CB 3.81Å; K9-W44 HydrophobicContact CD-CD2 4.1Å; K9-W44 HydrophobicContact CD-CG 3.63Å; K9-W44 HydrophobicContact CG-CB 3.75Å; K9-W44 HydrophobicContact CG-CD2 3.57Å; K9-W44 HydrophobicContact CG-CE3 3.76Å; K9-W44 HydrophobicContact CG-CG 3.56Å; K9-S62 PolarHBondContact N-OG 2.94Å
10C95.1Very high92.8Very high1 Ų127.1 Ų27.11%0.00714%0.135CC..THydrogen-bonded Turntrans-58.7-27.8176.8620000112.8V38 K39 Q40 N111 I112 K115C10-V38 HydrophobicContact CB-CG1 3.63Å; C10-K39 PolarHBondContact N-O 3.38Å; C10-Q40 PolarHBondContact SG-OE1 2.93Å; C10-Q40 VanDerWaalsContact SG-OE1 3.36Å; C10-N111 HydrophobicContact CB-CB 4.49Å; C10-N111 WeakPolarHBondContact O-CB 3.14Å; C10-I112 HydrophobicContact CB-CG1 4.44Å; C10-K115 HydrophobicContact CB-CB 3.97Å; C10-K115 HydrophobicContact CB-CG 4.23Å
11N95.7Very high92.8Very high67 Ų6726 Ų2636%0.35813%0.131SC..THydrogen-bonded Turntrans-91.516.7177.377.4-20.8000114.3K9 P13 P41 I112K9-N11 VanDerWaalsContact CB-OD1 3.3Å; K9-N11 WeakPolarHBondContact CB-OD1 3.31Å; K9-N11 PolarHBondContact O-N 3.48Å; K9-N11 VanDerWaalsContact O-N 3.16Å; N11-P13 WeakPolarHBondContact O-CD 3.29Å; N11-P41 HydrophobicContact CB-CG 4.09Å; N11-P41 VanDerWaalsContact ND2-CG 3.32Å; N11-P41 WeakPolarHBondContact ND2-CG 3.35Å; N11-P41 WeakPolarHBondContact OD1-CG 3.23Å; N11-I112 HydrophobicContact CB-CD1 3.78Å; N11-I112 HydrophobicContact CB-CG1 4Å
12C95.5Very high93.8Very high12 Ų1220.6 Ų20.68%0.08110%0.104CC..  trans-98.1115.6179.9-179.90000110.8K9 F14 Y15 A16 S62K9-C12 HydrophobicContact CB-CB 4.12Å; K9-C12 VanDerWaalsContact O-CB 3.24Å; K9-C12 WeakPolarHBondContact O-CB 3.42Å; K9-C12 PolarHBondContact O-N 3.41Å; C12-F14 PolarHBondContact O-N 2.88Å; C12-Y15 WeakPolarHBondContact O-CB 3.28Å; C12-Y15 PolarHBondContact O-N 3.46Å; C12-Y15 VanDerWaalsContact O-N 3.16Å; C12-Y15 PolarHBondContact SG-N 3.37Å; C12-Y15 VanDerWaalsContact SG-N 3.42Å; C12-A16 PolarHBondContact O-N 2.89Å; C12-A16 VanDerWaalsContact O-N 3.12Å; C12-S62 WeakPolarHBondContact CB-OG 3.26Å; C12-S62 PolarHBondContact SG-O 2.86Å; C12-S62 PolarHBondContact SG-OG 3.42Å
13P94.4Very high94.4Very high36 Ų3622.3 Ų22.323%0.23411%0.111CC..Hα-helixtrans-60-34.4176-23.132.7000112.9N11 A16 R17 M104 L105 M108N11-P13 WeakPolarHBondContact O-CD 3.29Å; P13-A16 WeakPolarHBondContact O-CB 3.44Å; P13-A16 PolarHBondContact O-N 3.29Å; P13-R17 PolarHBondContact O-N 3.01Å; P13-M104 HydrophobicContact CB-CB 4.14Å; P13-L105 HydrophobicContact CG-CD2 4.15Å; P13-M108 HydrophobicContact CG-SD 3.72Å
14F94.7Very high94.5Very high103 Ų10325.7 Ų25.745%0.45213%0.125SC..Hα-helixtrans-70.6-33.4178.5-57.5-64.8000112.5C12 I18 A82C12-F14 PolarHBondContact O-N 2.88Å; F14-I18 PolarHBondContact O-N 3.13Å; F14-A82 HydrophobicContact CB-CB 3.94Å
15Y95.6Very high94.4Very high0 Ų025.5 Ų25.50%013%0.125CC..Hα-helixtrans-64.1-49.5170.7175.6-98.9000110.5I6 G8 C12 R17 I18 E19 V38 P63I6-Y15 HydrophobicContact CB-CE2 4.44Å; I6-Y15 HydrophobicContact CD1-CE2 4.26Å; I6-Y15 HydrophobicContact CG1-CE2 4.21Å; G8-Y15 VanDerWaalsContact CA-CD2 3.48Å; C12-Y15 WeakPolarHBondContact O-CB 3.28Å; C12-Y15 PolarHBondContact O-N 3.46Å; C12-Y15 VanDerWaalsContact O-N 3.16Å; C12-Y15 PolarHBondContact SG-N 3.37Å; C12-Y15 VanDerWaalsContact SG-N 3.42Å; Y15-R17 PolarHBondContact O-N 2.99Å; Y15-I18 VanDerWaalsContact O-CG1 3.28Å; Y15-I18 WeakPolarHBondContact O-CG1 3.48Å; Y15-I18 PolarHBondContact O-N 3.25Å; Y15-I18 VanDerWaalsContact O-N 3.13Å; Y15-E19 HydrophobicContact CE1-CB 4.21Å; Y15-E19 HydrophobicContact CE1-CG 4.46Å; Y15-E19 WeakPolarHBondContact CE1-OE2 3.41Å; Y15-E19 VanDerWaalsContact O-CB 3.32Å; Y15-E19 WeakPolarHBondContact O-CB 3.5Å; Y15-E19 PolarHBondContact O-N 3.35Å; Y15-E19 PolarHBondContact OH-OE1 3.27Å; Y15-V38 HydrophobicContact CE1-CG2 3.94Å; Y15-V38 VanDerWaalsContact OH-CG2 3.27Å; Y15-V38 WeakPolarHBondContact OH-CG2 3.34Å; Y15-P63 HydrophobicContact CD2-CB 3.89Å; Y15-P63 HydrophobicContact CG-CB 4.45Å
16A93.3Very high94.2Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-54.3-40177.700000112.6C12 P13 L20 I107 M108C12-A16 PolarHBondContact O-N 2.89Å; C12-A16 VanDerWaalsContact O-N 3.12Å; P13-A16 WeakPolarHBondContact O-CB 3.44Å; P13-A16 PolarHBondContact O-N 3.29Å; A16-L20 PolarHBondContact O-N 2.93Å; A16-I107 HydrophobicContact CB-CB 3.95Å; A16-I107 HydrophobicContact CB-CG2 3.65Å; A16-M108 HydrophobicContact CB-CB 4.48Å
17R92.1Very high94.1Very high35 Ų3534.8 Ų34.813%0.13218%0.177CC..Hα-helixtrans-63.3-49.6176.5-176.5173.467.7-165.24.7112.8P13 Y15 E19 L21 T97 M99 M104P13-R17 PolarHBondContact O-N 3.01Å; Y15-R17 PolarHBondContact O-N 2.99Å; R17-E19 VanDerWaalsContact C-N 3.34Å; R17-L21 PolarHBondContact O-N 2.66Å; R17-T97 HydrophobicContact CG-CG2 3.77Å; R17-M99 HydrophobicContact CB-SD 4.21Å; R17-M99 HydrophobicContact CG-CB 4.42Å; R17-M99 HydrophobicContact CG-SD 4.36Å; R17-M104 HydrophobicContact CB-CG 4.14Å; R17-M104 HydrophobicContact CB-SD 3.91Å; R17-M104 HydrophobicContact CG-SD 4.28Å
18I94.2Very high93.8Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-75.3-25.8-178.464.9162.8000112.6I6 F14 Y15 L21 A22 P63 V65 A82 F85 Q86I6-I18 HydrophobicContact CB-CD1 4.29Å; I6-I18 HydrophobicContact CG2-CD1 4.14Å; F14-I18 PolarHBondContact O-N 3.13Å; Y15-I18 VanDerWaalsContact O-CG1 3.28Å; Y15-I18 WeakPolarHBondContact O-CG1 3.48Å; Y15-I18 PolarHBondContact O-N 3.25Å; Y15-I18 VanDerWaalsContact O-N 3.13Å; I18-L21 PolarHBondContact O-N 3.07Å; I18-A22 WeakPolarHBondContact O-CB 3.46Å; I18-A22 PolarHBondContact O-N 3.29Å; I18-P63 HydrophobicContact CD1-CB 3.63Å; I18-P63 HydrophobicContact CD1-CG 3.37Å; I18-P63 HydrophobicContact CG1-CB 4.4Å; I18-P63 HydrophobicContact CG1-CG 3.97Å; I18-V65 HydrophobicContact CD1-CG2 3.52Å; I18-A82 HydrophobicContact CG2-CB 3.73Å; I18-F85 HydrophobicContact CB-CD1 3.89Å; I18-F85 HydrophobicContact CB-CE1 4.27Å; I18-F85 HydrophobicContact CG2-CD1 3.98Å; I18-Q86 HydrophobicContact CG2-CG 4.23Å
19E93.8Very high93.5Very high16 Ų1642.5 Ų42.58%0.07522%0.218CC..Hα-helixtrans-60.9-51.7175175.6173.2-135.500111.2I6 Y15 R17 L21 A22 D23 K36 N111I6-E19 HydrophobicContact CD1-CB 4.12Å; I6-E19 HydrophobicContact CD1-CG 4.45Å; Y15-E19 HydrophobicContact CE1-CB 4.21Å; Y15-E19 HydrophobicContact CE1-CG 4.46Å; Y15-E19 WeakPolarHBondContact CE1-OE2 3.41Å; Y15-E19 VanDerWaalsContact O-CB 3.32Å; Y15-E19 WeakPolarHBondContact O-CB 3.5Å; Y15-E19 PolarHBondContact O-N 3.35Å; Y15-E19 PolarHBondContact OH-OE1 3.27Å; R17-E19 VanDerWaalsContact C-N 3.34Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 3.15Å; E19-A22 PolarHBondContact O-N 2.87Å; E19-D23 WeakPolarHBondContact O-CB 3.43Å; E19-D23 PolarHBondContact O-N 3.34Å; E19-K36 HydrophobicContact CG-CD 3.98Å; E19-K36 IonicContact OE1-NZ 2.66Å; E19-N111 PolarHBondContact OE2-ND2 2.9Å; E19-N111 PolarHBondContact OE2-OD1 3.12Å
20L91.6Very high93Very high75 Ų7546.1 Ų46.139%0.39325%0.246SC..Hα-helixtrans-66.3-34.8177.1-70.2-161.6000112.8A16 A22 K24 M99 I107A16-L20 PolarHBondContact O-N 2.93Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-K24 VanDerWaalsContact O-CB 3.28Å; L20-K24 WeakPolarHBondContact O-CB 3.28Å; L20-K24 PolarHBondContact O-N 3.33Å; L20-M99 HydrophobicContact CB-CE 3.95Å; L20-M99 HydrophobicContact CD1-CE 3.69Å; L20-M99 HydrophobicContact CG-CE 4.15Å; L20-I107 HydrophobicContact CD1-CD1 3.29Å; L20-I107 HydrophobicContact CD1-CG1 4.01Å; L20-I107 HydrophobicContact CG-CD1 4.06Å; L20-I107 HydrophobicContact CG-CG2 4.49Å
21L93.4Very high92.6Very high6 Ų651.1 Ų51.13%0.03127%0.273CS..Hα-helixtrans-62.4-44.7173.7-178.960.3000110.8R17 I18 E19 K24 L25 F85 Q86 V89 T97R17-L21 PolarHBondContact O-N 2.66Å; I18-L21 PolarHBondContact O-N 3.07Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 3.15Å; L21-K24 PolarHBondContact O-N 2.86Å; L21-L25 HydrophobicContact CG-CD1 4.36Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.28Å; L21-L25 PolarHBondContact O-N 3.23Å; L21-F85 HydrophobicContact CD2-CE1 4.39Å; L21-Q86 HydrophobicContact CD2-CG 4Å; L21-V89 HydrophobicContact CD1-CG1 4.1Å; L21-V89 HydrophobicContact CD2-CB 4.21Å; L21-V89 HydrophobicContact CD2-CG1 4.03Å; L21-V89 HydrophobicContact CD2-CG2 4.34Å; L21-V89 HydrophobicContact CG-CG1 4.21Å; L21-T97 HydrophobicContact CD2-CG2 4.12Å
22A93.5Very high92.4Very high0 Ų048.1 Ų48.10%026%0.257CS..Hα-helixtrans-67.5-41.5179.800000111.7I6 I18 E19 L20 L25 S26 V34 F85I6-A22 HydrophobicContact CD1-CB 3.88Å; I6-A22 HydrophobicContact CG2-CB 4.49Å; I18-A22 WeakPolarHBondContact O-CB 3.46Å; I18-A22 PolarHBondContact O-N 3.29Å; E19-A22 PolarHBondContact O-N 2.87Å; L20-A22 VanDerWaalsContact C-N 3.34Å; A22-L25 PolarHBondContact O-N 2.93Å; A22-S26 WeakPolarHBondContact O-CB 3.25Å; A22-S26 PolarHBondContact O-N 2.82Å; A22-V34 HydrophobicContact CB-CB 4.45Å; A22-V34 HydrophobicContact CB-CG1 3.91Å; A22-V34 HydrophobicContact CB-CG2 3.85Å; A22-F85 HydrophobicContact CB-CE1 4.25Å; A22-F85 HydrophobicContact CB-CZ 4.27Å
23D92.8Very high92.2Very high48 Ų4854.6 Ų54.626%0.25728%0.28SS..Hα-helixtrans-62.7-43.3174-75.8-16000110.9E19 L25 S26 L27 K36E19-D23 WeakPolarHBondContact O-CB 3.43Å; E19-D23 PolarHBondContact O-N 3.34Å; D23-L25 PolarHBondContact O-N 2.79Å; D23-S26 PolarHBondContact O-N 3.21Å; D23-L27 WeakPolarHBondContact O-CB 3.29Å; D23-L27 VanDerWaalsContact O-CG 3.3Å; D23-L27 WeakPolarHBondContact O-CG 3.44Å; D23-L27 PolarHBondContact O-N 2.83Å; D23-K36 VanDerWaalsContact CG-NZ 3.27Å; D23-K36 WeakPolarHBondContact OD1-CE 3.45Å; D23-K36 IonicContact OD1-NZ 3.37Å; D23-K36 PolarHBondContact OD1-NZ 2.99Å; D23-K36 IonicContact OD2-NZ 2.96Å; D23-K36 PolarHBondContact OD2-NZ 3.45Å
24K92Very high92.1Very high87 Ų8754.2 Ų54.238%0.37828%0.277SS..Hα-helixtrans-58.6-46.4174.6-176.7-172.6179.3-165.20111.6L20 L21 L27 N28 E95L20-K24 VanDerWaalsContact O-CB 3.28Å; L20-K24 WeakPolarHBondContact O-CB 3.28Å; L20-K24 PolarHBondContact O-N 3.33Å; L21-K24 PolarHBondContact O-N 2.86Å; K24-L27 PolarHBondContact O-N 3.45Å; K24-N28 WeakPolarHBondContact CG-ND2 3.37Å; K24-N28 WeakPolarHBondContact O-CB 3.31Å; K24-N28 PolarHBondContact O-N 3.49Å; K24-N28 VanDerWaalsContact O-N 3.12Å; K24-N28 PolarHBondContact O-ND2 2.89Å; K24-E95 IonicContact NZ-OE1 3.6Å; K24-E95 IonicContact NZ-OE2 3.6Å; K24-E95 PolarHBondContact NZ-OE2 3.39Å
25L92.4Very high92.1Very high3 Ų351.1 Ų51.12%0.01627%0.266CS..Hα-helixtrans-65.1-43.3177.8-68.5167.9000111.5L21 A22 D23 L27 N28 L29 F32 V89 Y93 E95L21-L25 HydrophobicContact CG-CD1 4.36Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.28Å; L21-L25 PolarHBondContact O-N 3.23Å; A22-L25 PolarHBondContact O-N 2.93Å; D23-L25 PolarHBondContact O-N 2.79Å; L25-L27 VanDerWaalsContact C-N 3.25Å; L25-L27 PolarHBondContact O-N 3.2Å; L25-N28 PolarHBondContact O-N 2.82Å; L25-L29 HydrophobicContact CB-CD1 4.28Å; L25-L29 HydrophobicContact CD2-CD1 3.75Å; L25-L29 VanDerWaalsContact O-CB 3.26Å; L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 PolarHBondContact O-N 2.93Å; L25-F32 HydrophobicContact CB-CD1 3.65Å; L25-F32 HydrophobicContact CB-CD2 4.39Å; L25-F32 HydrophobicContact CB-CE1 3.52Å; L25-F32 HydrophobicContact CB-CE2 4.29Å; L25-F32 HydrophobicContact CB-CG 4.1Å; L25-F32 HydrophobicContact CB-CZ 3.89Å; L25-F32 HydrophobicContact CD1-CE1 3.93Å; L25-F32 HydrophobicContact CD1-CE2 3.95Å; L25-F32 HydrophobicContact CD1-CZ 3.5Å; L25-F32 VanDerWaalsContact CD1-CZ 3.5Å; L25-F32 HydrophobicContact CG-CE1 4.41Å; L25-F32 HydrophobicContact CG-CZ 4.35Å; L25-V89 HydrophobicContact CD1-CB 4.27Å; L25-V89 HydrophobicContact CD1-CG1 3.62Å; L25-V89 HydrophobicContact CD1-CG2 3.55Å; L25-V89 HydrophobicContact CD2-CG1 4.12Å; L25-V89 HydrophobicContact CG-CG1 4.35Å; L25-Y93 HydrophobicContact CD2-CG 4.29Å; L25-E95 HydrophobicContact CD2-CB 4.05Å; L25-E95 HydrophobicContact CD2-CG 3.89Å
26S92.3Very high92Very high48 Ų4855.3 Ų55.334%0.33628%0.284SS..Hα-helixtrans-64.6-30.5179.8-166.80000112.7A22 D23 F32A22-S26 WeakPolarHBondContact O-CB 3.25Å; A22-S26 PolarHBondContact O-N 2.82Å; D23-S26 PolarHBondContact O-N 3.21Å; S26-F32 PolarHBondContact OG-O 2.88Å
27L92.5Very high92.1Very high148 Ų14857.3 Ų57.378%0.77529%0.294SS*.Hα-helixtrans-76.8-36.5175.9-73.3168.4000112.7D23 K24 L25D23-L27 WeakPolarHBondContact O-CB 3.29Å; D23-L27 VanDerWaalsContact O-CG 3.3Å; D23-L27 WeakPolarHBondContact O-CG 3.44Å; D23-L27 PolarHBondContact O-N 2.83Å; K24-L27 PolarHBondContact O-N 3.45Å; L25-L27 VanDerWaalsContact C-N 3.25Å; L25-L27 PolarHBondContact O-N 3.2Å
28N91.6Very high92.3Very high107 Ų10757.1 Ų57.157%0.57230%0.297SS*.Hα-helixtrans-95.3-19.6-172.4-66.4-42000114K24 L25K24-N28 WeakPolarHBondContact CG-ND2 3.37Å; K24-N28 WeakPolarHBondContact O-CB 3.31Å; K24-N28 PolarHBondContact O-N 3.49Å; K24-N28 VanDerWaalsContact O-N 3.12Å; K24-N28 PolarHBondContact O-ND2 2.89Å; L25-N28 PolarHBondContact O-N 2.82Å
29L90.4Very high92.3Very high54 Ų5460.2 Ų60.228%0.28331%0.311SS..  trans-114.7116.6-175.8-59.6176.1000111L25 N31 F32 Y93L25-L29 HydrophobicContact CB-CD1 4.28Å; L25-L29 HydrophobicContact CD2-CD1 3.75Å; L25-L29 VanDerWaalsContact O-CB 3.26Å; L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 PolarHBondContact O-N 2.93Å; L29-N31 PolarHBondContact O-N 3.1Å; L29-N31 VanDerWaalsContact O-N 3.07Å; L29-F32 HydrophobicContact CB-CB 3.65Å; L29-F32 HydrophobicContact CD1-CB 4.24Å; L29-F32 HydrophobicContact CD1-CD2 4.17Å; L29-F32 HydrophobicContact CD1-CG 4.38Å; L29-F32 PolarHBondContact O-N 3.45Å; L29-F32 VanDerWaalsContact O-N 3.15Å; L29-Y93 HydrophobicContact CD1-CD1 3.35Å; L29-Y93 HydrophobicContact CD1-CE1 3.69Å; L29-Y93 HydrophobicContact CD1-CG 3.95Å
30P85.9Confident92.4Very high122 Ų12260.4 Ų60.479%0.79231%0.311SS*.THydrogen-bonded Turntrans-64.5-22.7-171.124.1-34.2000114.3
31N87.7Confident92.5Very high107 Ų10759 Ų5957%0.57231%0.307SS*.THydrogen-bonded Turntrans-110.314.3-177.1-73.7-42.7000113.3A2 L29A2-N31 PolarHBondContact N-O 3.28Å; L29-N31 PolarHBondContact O-N 3.1Å; L29-N31 VanDerWaalsContact O-N 3.07Å
32F91Very high92.6Very high4 Ų465.1 Ų65.12%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-106.5120.1178.1-163.9-84.9000109.1A2 F4 L25 S26 L29 V34 F85 Y93A2-F32 HydrophobicContact CB-CD2 4.43Å; F4-F32 HydrophobicContact CD2-CD2 4.09Å; F4-F32 HydrophobicContact CD2-CE1 4.05Å; F4-F32 AromaticContact CD2-CE2 3.47Å; F4-F32 HydrophobicContact CD2-CE2 3.47Å; F4-F32 VanDerWaalsContact CD2-CE2 3.47Å; F4-F32 AromaticContact CD2-CZ 3.43Å; F4-F32 HydrophobicContact CD2-CZ 3.43Å; F4-F32 VanDerWaalsContact CD2-CZ 3.43Å; F4-F32 AromaticContact CE2-CD2 3.76Å; F4-F32 HydrophobicContact CE2-CD2 3.76Å; F4-F32 AromaticContact CE2-CE2 3.16Å; F4-F32 HydrophobicContact CE2-CE2 3.16Å; F4-F32 AromaticContact CE2-CZ 3.63Å; F4-F32 HydrophobicContact CE2-CZ 3.63Å; F4-F32 HydrophobicContact CG-CZ 4.2Å; F4-F32 HydrophobicContact CZ-CE2 4.06Å; L25-F32 HydrophobicContact CB-CD1 3.65Å; L25-F32 HydrophobicContact CB-CD2 4.39Å; L25-F32 HydrophobicContact CB-CE1 3.52Å; L25-F32 HydrophobicContact CB-CE2 4.29Å; L25-F32 HydrophobicContact CB-CG 4.1Å; L25-F32 HydrophobicContact CB-CZ 3.89Å; L25-F32 HydrophobicContact CD1-CE1 3.93Å; L25-F32 HydrophobicContact CD1-CE2 3.95Å; L25-F32 HydrophobicContact CD1-CZ 3.5Å; L25-F32 VanDerWaalsContact CD1-CZ 3.5Å; L25-F32 HydrophobicContact CG-CE1 4.41Å; L25-F32 HydrophobicContact CG-CZ 4.35Å; S26-F32 PolarHBondContact OG-O 2.88Å; L29-F32 HydrophobicContact CB-CB 3.65Å; L29-F32 HydrophobicContact CD1-CB 4.24Å; L29-F32 HydrophobicContact CD1-CD2 4.17Å; L29-F32 HydrophobicContact CD1-CG 4.38Å; L29-F32 PolarHBondContact O-N 3.45Å; L29-F32 VanDerWaalsContact O-N 3.15Å; F32-V34 HydrophobicContact CD1-CG2 3.73Å; F32-V34 HydrophobicContact CE1-CG2 3.28Å; F32-V34 HydrophobicContact CZ-CG2 4.37Å; F32-F85 HydrophobicContact CZ-CZ 4.27Å; F32-Y93 HydrophobicContact CD2-CE1 4.19Å; F32-Y93 HydrophobicContact CD2-CE2 4.08Å; F32-Y93 AromaticContact CD2-CZ 3.69Å; F32-Y93 HydrophobicContact CE2-CD2 4.36Å; F32-Y93 AromaticContact CE2-CE2 3.63Å; F32-Y93 HydrophobicContact CE2-CE2 3.63Å; F32-Y93 AromaticContact CE2-CZ 3.72Å
33R90.8Very high92.6Very high148 Ų14868 Ų6856%0.55835%0.351SS*.EExtended strand (participates in β ladder)trans-125.7143.1175.6-58.6-170179.6-169.7-1.7110.1A2 L3 F4A2-R33 PolarHBondContact O-N 2.78Å; L3-R33 HydrophobicContact CD2-CB 3.72Å; L3-R33 HydrophobicContact CD2-CG 4.18Å; F4-R33 PolarHBondContact N-O 2.8Å
34V92.8Very high92.7Very high28 Ų2866.2 Ų66.217%0.1734%0.341CS..EExtended strand (participates in β ladder)trans-126.4127-177.7-178.10000109.1F4 I6 A22 F32 K36F4-V34 CarbonylContact O-C 3.55Å; F4-V34 VanDerWaalsContact O-CA 3.31Å; F4-V34 WeakPolarHBondContact O-CA 3.47Å; I6-V34 HydrophobicContact CD1-CG1 3.95Å; I6-V34 HydrophobicContact CG1-CG1 3.78Å; I6-V34 HydrophobicContact CG2-CG1 4.42Å; A22-V34 HydrophobicContact CB-CB 4.45Å; A22-V34 HydrophobicContact CB-CG1 3.91Å; A22-V34 HydrophobicContact CB-CG2 3.85Å; F32-V34 HydrophobicContact CD1-CG2 3.73Å; F32-V34 HydrophobicContact CE1-CG2 3.28Å; F32-V34 HydrophobicContact CZ-CG2 4.37Å; V34-K36 HydrophobicContact CG1-CG 4.01Å
35T94Very high92.8Very high37 Ų3769 Ų6923%0.22735%0.353CS..EExtended strand (participates in β ladder)trans-97.5128.3164.4-570000108.3F4 V5 I6 I37 Q72F4-T35 PolarHBondContact O-N 3.17Å; V5-T35 WeakPolarHBondContact CA-O 3.15Å; V5-T35 HydrophobicContact CG1-CG2 4.36Å; I6-T35 PolarHBondContact N-O 3.4Å; T35-I37 HydrophobicContact CG2-CG1 4.5Å; T35-Q72 PolarHBondContact OG1-NE2 3.13Å
36K94.7Very high92.9Very high88 Ų8875.6 Ų75.638%0.38338%0.383SS..EExtended strand (participates in β ladder)trans-104127.3-179.9-58.3-168-77.8-170.20109.8I6 E19 D23 V34I6-K36 HydrophobicContact CD1-CD 4.17Å; I6-K36 HydrophobicContact CD1-CG 3.93Å; I6-K36 HydrophobicContact CG1-CB 4.37Å; I6-K36 HydrophobicContact CG1-CG 3.91Å; E19-K36 HydrophobicContact CG-CD 3.98Å; E19-K36 IonicContact OE1-NZ 2.66Å; D23-K36 VanDerWaalsContact CG-NZ 3.27Å; D23-K36 WeakPolarHBondContact OD1-CE 3.45Å; D23-K36 IonicContact OD1-NZ 3.37Å; D23-K36 PolarHBondContact OD1-NZ 2.99Å; D23-K36 IonicContact OD2-NZ 2.96Å; D23-K36 PolarHBondContact OD2-NZ 3.45Å; V34-K36 HydrophobicContact CG1-CG 4.01Å
37I94.7Very high93.1Very high42 Ų4274 Ų7422%0.21537%0.37CS..EExtended strand (participates in β ladder)trans-120.396175.5-57.5175.8000108.1V5 I6 A7 G8 T35 K39 F47 W66V5-I37 HydrophobicContact CG1-CD1 3.63Å; V5-I37 HydrophobicContact CG1-CG1 4.03Å; I6-I37 PolarHBondContact O-N 2.98Å; A7-I37 VanDerWaalsContact CA-O 3.24Å; A7-I37 WeakPolarHBondContact CA-O 3.29Å; A7-I37 HydrophobicContact CB-CB 3.84Å; A7-I37 HydrophobicContact CB-CG2 4.33Å; G8-I37 PolarHBondContact N-O 3.3Å; T35-I37 HydrophobicContact CG2-CG1 4.5Å; I37-K39 HydrophobicContact CG2-CG 4.4Å; I37-F47 HydrophobicContact CD1-CZ 4.37Å; I37-F47 HydrophobicContact CG2-CE2 3.92Å; I37-F47 HydrophobicContact CG2-CZ 3.87Å; I37-W66 HydrophobicContact CD1-CH2 3.91Å; I37-W66 HydrophobicContact CD1-CZ2 4.26Å
38V95.4Very high93.2Very high32 Ų3267.7 Ų67.719%0.19434%0.338CS..EExtended strand (participates in β ladder)trans-90.2128.7176.7-173.50000109C10 Y15 K115C10-V38 HydrophobicContact CB-CG1 3.63Å; Y15-V38 HydrophobicContact CE1-CG2 3.94Å; Y15-V38 VanDerWaalsContact OH-CG2 3.27Å; Y15-V38 WeakPolarHBondContact OH-CG2 3.34Å; V38-K115 HydrophobicContact CB-CD 4.31Å; V38-K115 HydrophobicContact CG1-CB 4.17Å; V38-K115 HydrophobicContact CG1-CD 4.03Å; V38-K115 HydrophobicContact CG1-CG 4Å; V38-K115 VanDerWaalsContact O-CE 3.28Å; V38-K115 WeakPolarHBondContact O-CE 3.38Å
39K95.6Very high93.4Very high65 Ų6568 Ų6828%0.28334%0.336SS..EExtended strand (participates in β ladder)trans-118.2147.4175.4-68.2-63.5-175175.30110.9G8 K9 C10 I37 D43 W44 F47G8-K39 PolarHBondContact O-N 2.87Å; K9-K39 CarbonylContact C-O 3.22Å; K9-K39 WeakPolarHBondContact CA-O 3.31Å; C10-K39 PolarHBondContact N-O 3.38Å; I37-K39 HydrophobicContact CG2-CG 4.4Å; K39-D43 HydrophobicContact CD-CB 4.45Å; K39-W44 HydrophobicContact CB-CE3 4.01Å; K39-W44 HydrophobicContact CB-CZ3 4.48Å; K39-W44 HydrophobicContact CG-CE3 4.33Å; K39-F47 HydrophobicContact CD-CD2 4.49Å; K39-F47 HydrophobicContact CD-CG 4.48Å; K39-F47 VanDerWaalsContact CE-CD2 3.5Å; K39-F47 HydrophobicContact CG-CB 4.25Å; K39-F47 HydrophobicContact CG-CD1 4.27Å; K39-F47 HydrophobicContact CG-CD2 4.4Å; K39-F47 HydrophobicContact CG-CG 4.05Å
40Q94.8Very high93.5Very high19 Ų1970.4 Ų70.49%0.08934%0.341CS..  trans-68.9155.5165.4-63.7-79.88.100109.5C10 Q42 D43 W44 K115 D119C10-Q40 PolarHBondContact SG-OE1 2.93Å; C10-Q40 VanDerWaalsContact SG-OE1 3.36Å; Q40-Q42 VanDerWaalsContact CB-CD 3.44Å; Q40-Q42 HydrophobicContact CB-CG 4.29Å; Q40-Q42 VanDerWaalsContact CB-NE2 3.3Å; Q40-Q42 PolarHBondContact O-N 2.9Å; Q40-D43 WeakPolarHBondContact CB-OD2 3.32Å; Q40-D43 PolarHBondContact O-N 2.83Å; Q40-D43 VanDerWaalsContact O-N 3.07Å; Q40-W44 PolarHBondContact O-N 3.39Å; Q40-K115 HydrophobicContact CG-CG 4.11Å; Q40-D119 VanDerWaalsContact CG-OD2 3.27Å; Q40-D119 WeakPolarHBondContact CG-OD2 3.47Å; Q40-D119 PolarHBondContact NE2-OD2 3.44Å
41P94.2Very high93.9Very high46 Ų4664.7 Ų64.730%0.29930%0.304SS..G310 helixtrans-59.4-36.1-176.8-24.736.3000113.2N11 D43 W44N11-P41 HydrophobicContact CB-CG 4.09Å; N11-P41 VanDerWaalsContact ND2-CG 3.32Å; N11-P41 WeakPolarHBondContact ND2-CG 3.35Å; N11-P41 WeakPolarHBondContact OD1-CG 3.23Å; P41-D43 VanDerWaalsContact C-N 3.34Å; P41-W44 WeakPolarHBondContact O-CB 3.45Å; P41-W44 PolarHBondContact O-N 3.42Å
42Q94.9Very high94.2Very high135 Ų13561.7 Ų61.763%0.63129%0.29SS*.G310 helixtrans-67.2-31177.462.1-86.115.800113.4Q40 W44Q40-Q42 VanDerWaalsContact CB-CD 3.44Å; Q40-Q42 HydrophobicContact CB-CG 4.29Å; Q40-Q42 VanDerWaalsContact CB-NE2 3.3Å; Q40-Q42 PolarHBondContact O-N 2.9Å; Q42-W44 VanDerWaalsContact C-N 3.32Å
43D93.7Very high94.3Very high60 Ų6070.7 Ų70.732%0.32133%0.329SS..G310 helixtrans-86.5-7.5-177.4-52.1-31.9000112.2K39 Q40 P41 K45 F47K39-D43 HydrophobicContact CD-CB 4.45Å; Q40-D43 WeakPolarHBondContact CB-OD2 3.32Å; Q40-D43 PolarHBondContact O-N 2.83Å; Q40-D43 VanDerWaalsContact O-N 3.07Å; P41-D43 VanDerWaalsContact C-N 3.34Å; D43-K45 VanDerWaalsContact C-N 3.33Å; D43-K45 PolarHBondContact O-N 3.32Å; D43-F47 WeakPolarHBondContact O-CB 3.48Å; D43-F47 PolarHBondContact O-N 3.15Å; D43-F47 VanDerWaalsContact O-N 3.1Å
44W95.5Very high94.2Very high11 Ų1168.6 Ų68.64%0.04232%0.324CS..Hα-helixtrans-62.6-40.4-174.7-171.5-110.2000112.4G8 K9 K39 Q40 P41 Q42 F47 T48 E60 E61 V64G8-W44 VanDerWaalsContact CA-CZ3 3.42Å; K9-W44 HydrophobicContact CD-CB 3.81Å; K9-W44 HydrophobicContact CD-CD2 4.1Å; K9-W44 HydrophobicContact CD-CG 3.63Å; K9-W44 HydrophobicContact CG-CB 3.75Å; K9-W44 HydrophobicContact CG-CD2 3.57Å; K9-W44 HydrophobicContact CG-CE3 3.76Å; K9-W44 HydrophobicContact CG-CG 3.56Å; K39-W44 HydrophobicContact CB-CE3 4.01Å; K39-W44 HydrophobicContact CB-CZ3 4.48Å; K39-W44 HydrophobicContact CG-CE3 4.33Å; Q40-W44 PolarHBondContact O-N 3.39Å; P41-W44 WeakPolarHBondContact O-CB 3.45Å; P41-W44 PolarHBondContact O-N 3.42Å; Q42-W44 VanDerWaalsContact C-N 3.32Å; W44-F47 AromaticContact CE3-CD1 3.94Å; W44-F47 HydrophobicContact CE3-CD1 3.94Å; W44-F47 HydrophobicContact CH2-CD1 4.13Å; W44-F47 HydrophobicContact CH2-CE1 4.18Å; W44-F47 AromaticContact CZ3-CD1 3.62Å; W44-F47 HydrophobicContact CZ3-CD1 3.62Å; W44-F47 AromaticContact CZ3-CE1 3.89Å; W44-F47 HydrophobicContact CZ3-CE1 3.89Å; W44-F47 WeakPolarHBondContact O-CB 3.46Å; W44-F47 PolarHBondContact O-N 3.31Å; W44-T48 HydrophobicContact CD2-CG2 4.39Å; W44-T48 HydrophobicContact CZ2-CG2 4.25Å; W44-T48 WeakPolarHBondContact O-CG2 3.4Å; W44-T48 PolarHBondContact O-N 3.03Å; W44-T48 PolarHBondContact O-OG1 3.45Å; W44-E60 PolarHBondContact NE1-O 2.84Å; W44-E61 WeakPolarHBondContact CZ2-O 3.32Å; W44-V64 HydrophobicContact CH2-CG1 4.09Å
45K94Very high94.1Very high145 Ų14569.2 Ų69.263%0.6333%0.325SS*.Hα-helixtrans-62.1-51.2-178.4-174-178.5176.3-174.80111.4D43 F47 T48 E49D43-K45 VanDerWaalsContact C-N 3.33Å; D43-K45 PolarHBondContact O-N 3.32Å; K45-F47 PolarHBondContact O-N 2.9Å; K45-T48 PolarHBondContact O-N 3.13Å; K45-T48 VanDerWaalsContact O-N 3.16Å; K45-T48 PolarHBondContact O-OG1 3.24Å; K45-E49 WeakPolarHBondContact CE-OE1 3.3Å; K45-E49 WeakPolarHBondContact O-CG 3.39Å; K45-E49 PolarHBondContact O-N 3.21Å
46E94.3Very high94Very high142 Ų14269.8 Ų69.866%0.66434%0.338SS*.Hα-helixtrans-58.9-39.4176.4-174.3-177.1175.300111.2E49 W50E46-E49 PolarHBondContact O-N 3.06Å; E46-W50 PolarHBondContact O-N 3.35Å
47F95.6Very high94Very high14 Ų1467.6 Ų67.66%0.06133%0.328CS..Hα-helixtrans-64.6-41.1176.5-177.9-108.7000113.1A7 I37 K39 D43 W44 K45 W50 I51 W66A7-F47 HydrophobicContact CB-CE1 3.56Å; A7-F47 HydrophobicContact CB-CZ 3.7Å; I37-F47 HydrophobicContact CD1-CZ 4.37Å; I37-F47 HydrophobicContact CG2-CE2 3.92Å; I37-F47 HydrophobicContact CG2-CZ 3.87Å; K39-F47 HydrophobicContact CD-CD2 4.49Å; K39-F47 HydrophobicContact CD-CG 4.48Å; K39-F47 VanDerWaalsContact CE-CD2 3.5Å; K39-F47 HydrophobicContact CG-CB 4.25Å; K39-F47 HydrophobicContact CG-CD1 4.27Å; K39-F47 HydrophobicContact CG-CD2 4.4Å; K39-F47 HydrophobicContact CG-CG 4.05Å; D43-F47 WeakPolarHBondContact O-CB 3.48Å; D43-F47 PolarHBondContact O-N 3.15Å; D43-F47 VanDerWaalsContact O-N 3.1Å; W44-F47 AromaticContact CE3-CD1 3.94Å; W44-F47 HydrophobicContact CE3-CD1 3.94Å; W44-F47 HydrophobicContact CH2-CD1 4.13Å; W44-F47 HydrophobicContact CH2-CE1 4.18Å; W44-F47 AromaticContact CZ3-CD1 3.62Å; W44-F47 HydrophobicContact CZ3-CD1 3.62Å; W44-F47 AromaticContact CZ3-CE1 3.89Å; W44-F47 HydrophobicContact CZ3-CE1 3.89Å; W44-F47 WeakPolarHBondContact O-CB 3.46Å; W44-F47 PolarHBondContact O-N 3.31Å; K45-F47 PolarHBondContact O-N 2.9Å; F47-W50 HydrophobicContact CD2-CE3 4.13Å; F47-W50 AromaticContact CE2-CE3 3.82Å; F47-W50 HydrophobicContact CE2-CE3 3.82Å; F47-W50 AromaticContact CE2-CZ3 3.84Å; F47-W50 HydrophobicContact CE2-CZ3 3.84Å; F47-W50 HydrophobicContact CZ-CZ3 4.33Å; F47-W50 WeakPolarHBondContact O-CB 2.93Å; F47-W50 PolarHBondContact O-N 3.34Å; F47-I51 HydrophobicContact CD1-CD1 4.07Å; F47-I51 HydrophobicContact CE1-CD1 3.46Å; F47-I51 VanDerWaalsContact CE1-CD1 3.46Å; F47-I51 HydrophobicContact CE1-CG1 4.14Å; F47-I51 HydrophobicContact CZ-CD1 3.81Å; F47-I51 HydrophobicContact CZ-CG1 4.16Å; F47-I51 PolarHBondContact O-N 2.84Å; F47-W66 HydrophobicContact CZ-CH2 4.37Å
48T95.3Very high93.9Very high16 Ų1674.4 Ų74.410%0.09836%0.356CS..Hα-helixtrans-66.4-35.6175.952.80000112.8W44 K45 I51 T52 V59W44-T48 HydrophobicContact CD2-CG2 4.39Å; W44-T48 HydrophobicContact CZ2-CG2 4.25Å; W44-T48 WeakPolarHBondContact O-CG2 3.4Å; W44-T48 PolarHBondContact O-N 3.03Å; W44-T48 PolarHBondContact O-OG1 3.45Å; K45-T48 PolarHBondContact O-N 3.13Å; K45-T48 VanDerWaalsContact O-N 3.16Å; K45-T48 PolarHBondContact O-OG1 3.24Å; T48-I51 PolarHBondContact O-N 2.85Å; T48-T52 PolarHBondContact O-N 3.16Å; T48-T52 PolarHBondContact O-OG1 3.08Å; T48-V59 VanDerWaalsContact CB-O 3.24Å; T48-V59 WeakPolarHBondContact CB-O 3.16Å; T48-V59 HydrophobicContact CG2-CB 4.49Å; T48-V59 HydrophobicContact CG2-CG1 4.4Å; T48-V59 WeakPolarHBondContact CG2-O 3.47Å
49E95.2Very high93.7Very high112 Ų11273.8 Ų73.852%0.52335%0.352SS..Hα-helixtrans-64.6-41.2172.9-69.5171.6-172.700110.9K45 E46 T52 K53K45-E49 WeakPolarHBondContact CE-OE1 3.3Å; K45-E49 WeakPolarHBondContact O-CG 3.39Å; K45-E49 PolarHBondContact O-N 3.21Å; E46-E49 PolarHBondContact O-N 3.06Å; E49-T52 PolarHBondContact O-N 3.29Å; E49-K53 WeakPolarHBondContact O-CB 3.48Å; E49-K53 PolarHBondContact O-N 3.39Å
50W94.1Very high93.4Very high106 Ų10678.5 Ų78.540%0.40238%0.375SS..Hα-helixtrans-62.3-43.5173174.390.8000112.6E46 F47 T52 K53 K54E46-W50 PolarHBondContact O-N 3.35Å; F47-W50 HydrophobicContact CD2-CE3 4.13Å; F47-W50 AromaticContact CE2-CE3 3.82Å; F47-W50 HydrophobicContact CE2-CE3 3.82Å; F47-W50 AromaticContact CE2-CZ3 3.84Å; F47-W50 HydrophobicContact CE2-CZ3 3.84Å; F47-W50 HydrophobicContact CZ-CZ3 4.33Å; F47-W50 WeakPolarHBondContact O-CB 2.93Å; F47-W50 PolarHBondContact O-N 3.34Å; W50-T52 VanDerWaalsContact C-N 3.32Å; W50-T52 PolarHBondContact O-N 3.33Å; W50-K53 PolarHBondContact O-N 2.94Å; W50-K54 HydrophobicContact CH2-CD 3.59Å; W50-K54 HydrophobicContact CZ2-CD 3.19Å; W50-K54 HydrophobicContact CZ2-CG 4.49Å; W50-K54 HydrophobicContact CZ3-CD 4.39Å; W50-K54 VanDerWaalsContact O-CB 3.29Å; W50-K54 WeakPolarHBondContact O-CB 3.49Å; W50-K54 PolarHBondContact O-N 3.05Å
51I93.3Very high93.4Very high1 Ų184 Ų841%0.00540%0.401CS..Hα-helixtrans-58.8-46.7174.7-72.5-177.2000110.2F47 T48 K53 K54 H55 W57 V59 V64 W66F47-I51 HydrophobicContact CD1-CD1 4.07Å; F47-I51 HydrophobicContact CE1-CD1 3.46Å; F47-I51 VanDerWaalsContact CE1-CD1 3.46Å; F47-I51 HydrophobicContact CE1-CG1 4.14Å; F47-I51 HydrophobicContact CZ-CD1 3.81Å; F47-I51 HydrophobicContact CZ-CG1 4.16Å; F47-I51 PolarHBondContact O-N 2.84Å; T48-I51 PolarHBondContact O-N 2.85Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.87Å; I51-K54 PolarHBondContact O-N 3.42Å; I51-H55 WeakPolarHBondContact O-CB 3.31Å; I51-H55 PolarHBondContact O-N 3.02Å; I51-W57 HydrophobicContact CG2-CB 4.1Å; I51-W57 HydrophobicContact CG2-CE3 3.98Å; I51-V59 HydrophobicContact CG2-CG2 4.08Å; I51-V64 HydrophobicContact CD1-CG1 3.83Å; I51-W66 HydrophobicContact CD1-CZ3 4.32Å
52T93.8Very high93.4Very high45 Ų4582.3 Ų82.328%0.27639%0.39SS..Hα-helixtrans-59.9-44.8179.4-53.40000110.7T48 E49 W50 G56 W57 F58T48-T52 PolarHBondContact O-N 3.16Å; T48-T52 PolarHBondContact O-OG1 3.08Å; E49-T52 PolarHBondContact O-N 3.29Å; W50-T52 VanDerWaalsContact C-N 3.32Å; W50-T52 PolarHBondContact O-N 3.33Å; T52-G56 WeakPolarHBondContact O-CA 3.47Å; T52-G56 PolarHBondContact O-N 2.88Å; T52-W57 WeakPolarHBondContact CA-O 3.36Å; T52-W57 PolarHBondContact OG1-O 2.83Å; T52-F58 HydrophobicContact CG2-CD1 4.17Å; T52-F58 HydrophobicContact CG2-CE1 3.93Å; T52-F58 HydrophobicContact CG2-CZ 4.49Å
53K93.1Very high93.5Very high193 Ų19376.1 Ų76.184%0.83936%0.362SS*.Hα-helixtrans-67.9-40.6179.1-173.1178.1-179.71800113E49 W50 I51E49-K53 WeakPolarHBondContact O-CB 3.48Å; E49-K53 PolarHBondContact O-N 3.39Å; W50-K53 PolarHBondContact O-N 2.94Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.87Å
54K90Very high93.7Very high104 Ų10473.4 Ų73.445%0.45235%0.347SS..Hα-helixtrans-81.3-38-174.5-173175.1177.7-174.40113W50 I51W50-K54 HydrophobicContact CH2-CD 3.59Å; W50-K54 HydrophobicContact CZ2-CD 3.19Å; W50-K54 HydrophobicContact CZ2-CG 4.49Å; W50-K54 HydrophobicContact CZ3-CD 4.39Å; W50-K54 VanDerWaalsContact O-CB 3.29Å; W50-K54 WeakPolarHBondContact O-CB 3.49Å; W50-K54 PolarHBondContact O-N 3.05Å; I51-K54 PolarHBondContact O-N 3.42Å
55H90.4Very high93.7Very high41 Ų4172.9 Ų72.919%0.1935%0.345CS..Hα-helixtrans-118.9-14-171.1-62.6-73.8000114.3I51 W57I51-H55 WeakPolarHBondContact O-CB 3.31Å; I51-H55 PolarHBondContact O-N 3.02Å; H55-W57 VanDerWaalsContact C-N 3.3Å; H55-W57 HydrophobicContact CB-CD2 3.45Å; H55-W57 VanDerWaalsContact CB-CD2 3.45Å; H55-W57 HydrophobicContact CB-CE3 3.56Å; H55-W57 HydrophobicContact CB-CG 3.99Å; H55-W57 HydrophobicContact CB-CH2 3.97Å; H55-W57 HydrophobicContact CB-CZ2 3.87Å; H55-W57 HydrophobicContact CB-CZ3 3.82Å; H55-W57 AromaticContact CD2-CZ3 3.98Å; H55-W57 AromaticContact CG-CE3 3.93Å; H55-W57 AromaticContact CG-CH2 3.8Å; H55-W57 AromaticContact CG-CZ3 3.69Å; H55-W57 AromaticContact ND1-CH2 3.74Å; H55-W57 PolarHBondContact O-NE1 3.5Å
56G92.5Very high93.8Very high49 Ų4966.2 Ų66.251%0.50532%0.316SS..  trans75.416.2-176.700000114.1T52T52-G56 WeakPolarHBondContact O-CA 3.47Å; T52-G56 PolarHBondContact O-N 2.88Å
57W94.4Very high93.8Very high42 Ų4264.6 Ų64.616%0.15930%0.304CS..  trans-97.2134.1-178.7-53.6-28.2000111.2I51 T52 H55 V59 W66 G76 L78I51-W57 HydrophobicContact CG2-CB 4.1Å; I51-W57 HydrophobicContact CG2-CE3 3.98Å; T52-W57 WeakPolarHBondContact CA-O 3.36Å; T52-W57 PolarHBondContact OG1-O 2.83Å; H55-W57 VanDerWaalsContact C-N 3.3Å; H55-W57 HydrophobicContact CB-CD2 3.45Å; H55-W57 VanDerWaalsContact CB-CD2 3.45Å; H55-W57 HydrophobicContact CB-CE3 3.56Å; H55-W57 HydrophobicContact CB-CG 3.99Å; H55-W57 HydrophobicContact CB-CH2 3.97Å; H55-W57 HydrophobicContact CB-CZ2 3.87Å; H55-W57 HydrophobicContact CB-CZ3 3.82Å; H55-W57 AromaticContact CD2-CZ3 3.98Å; H55-W57 AromaticContact CG-CE3 3.93Å; H55-W57 AromaticContact CG-CH2 3.8Å; H55-W57 AromaticContact CG-CZ3 3.69Å; H55-W57 AromaticContact ND1-CH2 3.74Å; H55-W57 PolarHBondContact O-NE1 3.5Å; W57-V59 HydrophobicContact CB-CG2 4.26Å; W57-W66 HydrophobicContact CH2-CB 3.86Å; W57-W66 AromaticContact CH2-CG 4Å; W57-W66 HydrophobicContact CH2-CG 4Å; W57-W66 HydrophobicContact CZ3-CB 3.77Å; W57-W66 HydrophobicContact CZ3-CD2 4.09Å; W57-W66 AromaticContact CZ3-CG 3.8Å; W57-W66 HydrophobicContact CZ3-CG 3.8Å; W57-G76 WeakPolarHBondContact CZ2-O 3.36Å; W57-L78 HydrophobicContact CB-CD2 4.18Å; W57-L78 HydrophobicContact CD2-CB 3.82Å; W57-L78 HydrophobicContact CD2-CD1 4.33Å; W57-L78 HydrophobicContact CD2-CD2 4.46Å; W57-L78 HydrophobicContact CD2-CG 4.43Å; W57-L78 HydrophobicContact CE3-CB 4.16Å; W57-L78 HydrophobicContact CE3-CD1 4.03Å; W57-L78 HydrophobicContact CG-CB 4.22Å; W57-L78 HydrophobicContact CG-CD2 4.12Å; W57-L78 HydrophobicContact CZ2-CB 4.19Å; W57-L78 HydrophobicContact CZ3-CB 4.49Å
58F91.9Very high93.6Very high184 Ų18464.4 Ų64.481%0.80730%0.303SS*.  trans-90.2113.3173.5-64.3-79.9000109.5T52T52-F58 HydrophobicContact CG2-CD1 4.17Å; T52-F58 HydrophobicContact CG2-CE1 3.93Å; T52-F58 HydrophobicContact CG2-CZ 4.49Å
59V91.6Very high92.9Very high19 Ų1967.6 Ų67.612%0.11532%0.319CS..  trans-131.7121.2-177.1-179.20000107.7T48 I51 W57 V64T48-V59 VanDerWaalsContact CB-O 3.24Å; T48-V59 WeakPolarHBondContact CB-O 3.16Å; T48-V59 HydrophobicContact CG2-CB 4.49Å; T48-V59 HydrophobicContact CG2-CG1 4.4Å; T48-V59 WeakPolarHBondContact CG2-O 3.47Å; I51-V59 HydrophobicContact CG2-CG2 4.08Å; W57-V59 HydrophobicContact CB-CG2 4.26Å; V59-V64 HydrophobicContact CG1-CB 3.72Å; V59-V64 HydrophobicContact CG1-CG1 4.1Å; V59-V64 HydrophobicContact CG1-CG2 3.96Å; V59-V64 HydrophobicContact CG2-CG2 3.91Å
60E89.6Confident92Very high164 Ų16467.3 Ų67.377%0.76633%0.325SS*.  trans-109.8-44.5176.1-65.4-175.3167.800110.9W44W44-E60 PolarHBondContact NE1-O 2.84Å
61E93.2Very high91.2Very high136 Ų13667.6 Ų67.664%0.63633%0.334SS*.SBendtrans-89.4154.9-172.8-68.1-58.7155.400113.8W44W44-E61 WeakPolarHBondContact CZ2-O 3.32Å
62S95.1Very high90.4Very high9 Ų974.4 Ų74.46%0.06337%0.366CS..SBendtrans-103.3143.3172.8169.20000110G8 K9 C12G8-S62 WeakPolarHBondContact CA-OG 3.27Å; K9-S62 PolarHBondContact N-OG 2.94Å; C12-S62 WeakPolarHBondContact CB-OG 3.26Å; C12-S62 PolarHBondContact SG-O 2.86Å; C12-S62 PolarHBondContact SG-OG 3.42Å
63P97Very high89.6Confident6 Ų674.2 Ų74.24%0.03937%0.373CS..PPolyproline II helixcis-84.8171.6-4.935.8-37.3000112.8A7 Y15 I18 G81 A82A7-P63 CarbonylContact O-C 3.56Å; A7-P63 VanDerWaalsContact O-CA 3.27Å; A7-P63 WeakPolarHBondContact O-CA 3.28Å; A7-P63 VanDerWaalsContact O-CB 3.3Å; A7-P63 WeakPolarHBondContact O-CB 3.49Å; Y15-P63 HydrophobicContact CD2-CB 3.89Å; Y15-P63 HydrophobicContact CG-CB 4.45Å; I18-P63 HydrophobicContact CD1-CB 3.63Å; I18-P63 HydrophobicContact CD1-CG 3.37Å; I18-P63 HydrophobicContact CG1-CB 4.4Å; I18-P63 HydrophobicContact CG1-CG 3.97Å; P63-G81 VanDerWaalsContact O-CA 3.23Å; P63-G81 WeakPolarHBondContact O-CA 3.43Å; P63-A82 HydrophobicContact CG-CB 3.77Å
64V97.1Very high89Confident3 Ų366.5 Ų66.52%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-124140.6167.2620000110.2A7 W44 I51 V59 W66 L78 G80A7-V64 HydrophobicContact CB-CG1 3.94Å; A7-V64 PolarHBondContact N-O 3.22Å; A7-V64 PolarHBondContact O-N 2.88Å; W44-V64 HydrophobicContact CH2-CG1 4.09Å; I51-V64 HydrophobicContact CD1-CG1 3.83Å; V59-V64 HydrophobicContact CG1-CB 3.72Å; V59-V64 HydrophobicContact CG1-CG1 4.1Å; V59-V64 HydrophobicContact CG1-CG2 3.96Å; V59-V64 HydrophobicContact CG2-CG2 3.91Å; V64-W66 HydrophobicContact CG1-CZ3 4.09Å; V64-L78 HydrophobicContact CG2-CD1 3.62Å; V64-G80 CarbonylContact C-O 3.6Å; V64-G80 WeakPolarHBondContact CA-O 3.14Å
65V97Very high88.7Confident0 Ų069.8 Ų69.80%036%0.362CS..EExtended strand (participates in β ladder)trans-129136.6-178.4-167.50000110V5 I6 I18 I79 G80 F85V5-V65 WeakPolarHBondContact O-CA 3.33Å; V5-V65 WeakPolarHBondContact O-CG1 3.3Å; I6-V65 HydrophobicContact CG2-CB 4.48Å; I6-V65 HydrophobicContact CG2-CG1 3.83Å; I6-V65 HydrophobicContact CG2-CG2 3.94Å; I18-V65 HydrophobicContact CD1-CG2 3.52Å; V65-I79 HydrophobicContact CB-CB 4.49Å; V65-I79 HydrophobicContact CG1-CD1 4.08Å; V65-I79 WeakPolarHBondContact O-CB 3.24Å; V65-I79 PolarHBondContact O-N 3.04Å; V65-G80 PolarHBondContact N-O 3.4Å; V65-G80 PolarHBondContact O-N 3.46Å; V65-F85 HydrophobicContact CB-CB 4.25Å; V65-F85 HydrophobicContact CB-CD2 4.39Å; V65-F85 HydrophobicContact CB-CG 4.42Å; V65-F85 HydrophobicContact CG1-CB 4.41Å; V65-F85 HydrophobicContact CG1-CD2 3.64Å; V65-F85 HydrophobicContact CG1-CE2 4.08Å; V65-F85 HydrophobicContact CG1-CG 4.07Å; V65-F85 HydrophobicContact CG2-CB 3.9Å; V65-F85 HydrophobicContact CG2-CG 4.1Å
66W95.6Very high88.6Confident5 Ų568.2 Ų68.22%0.01936%0.358CS..EExtended strand (participates in β ladder)trans-139.1160.317167.993.2000111.2F4 V5 A7 I37 F47 I51 W57 V64 E68 I77F4-W66 WeakPolarHBondContact CA-O 3.33Å; V5-W66 HydrophobicContact CB-CD2 3.78Å; V5-W66 HydrophobicContact CB-CE3 4.23Å; V5-W66 HydrophobicContact CB-CG 4.35Å; V5-W66 HydrophobicContact CB-CH2 3.99Å; V5-W66 HydrophobicContact CB-CZ2 3.5Å; V5-W66 VanDerWaalsContact CB-CZ2 3.5Å; V5-W66 HydrophobicContact CB-CZ3 4.31Å; V5-W66 HydrophobicContact CG1-CD2 4.34Å; V5-W66 HydrophobicContact CG1-CE3 4.45Å; V5-W66 HydrophobicContact CG1-CH2 3.43Å; V5-W66 VanDerWaalsContact CG1-CH2 3.43Å; V5-W66 HydrophobicContact CG1-CZ2 3.26Å; V5-W66 HydrophobicContact CG1-CZ3 4.03Å; V5-W66 HydrophobicContact CG2-CD2 4.43Å; V5-W66 HydrophobicContact CG2-CZ2 3.92Å; V5-W66 PolarHBondContact N-O 3.18Å; V5-W66 PolarHBondContact O-N 3.33Å; V5-W66 VanDerWaalsContact O-N 3.1Å; A7-W66 HydrophobicContact CB-CH2 4.14Å; A7-W66 HydrophobicContact CB-CZ3 3.83Å; I37-W66 HydrophobicContact CD1-CH2 3.91Å; I37-W66 HydrophobicContact CD1-CZ2 4.26Å; F47-W66 HydrophobicContact CZ-CH2 4.37Å; I51-W66 HydrophobicContact CD1-CZ3 4.32Å; W57-W66 HydrophobicContact CH2-CB 3.86Å; W57-W66 AromaticContact CH2-CG 4Å; W57-W66 HydrophobicContact CH2-CG 4Å; W57-W66 HydrophobicContact CZ3-CB 3.77Å; W57-W66 HydrophobicContact CZ3-CD2 4.09Å; W57-W66 AromaticContact CZ3-CG 3.8Å; W57-W66 HydrophobicContact CZ3-CG 3.8Å; V64-W66 HydrophobicContact CG1-CZ3 4.09Å; W66-E68 PolarHBondContact NE1-OE1 3.34Å; W66-I77 CarbonylContact C-O 3.57Å; W66-I77 VanDerWaalsContact CA-O 3.31Å; W66-I77 WeakPolarHBondContact CA-O 3.37Å; W66-I77 VanDerWaalsContact CB-O 3.29Å; W66-I77 WeakPolarHBondContact CB-O 3.26Å
67R93.8Very high88.7Confident107 Ų10770.4 Ų70.440%0.40436%0.356SS..EExtended strand (participates in β ladder)trans-102.6137.4174.6-178.2179.1173.3-175.2-1110.2L3 F4 G76 I77 I79L3-R67 CarbonylContact O-C 3.53Å; L3-R67 VanDerWaalsContact O-CA 3.31Å; L3-R67 WeakPolarHBondContact O-CA 3.31Å; L3-R67 WeakPolarHBondContact O-CG 3.42Å; F4-R67 HydrophobicContact CD1-CB 4.26Å; F4-R67 HydrophobicContact CE1-CB 4.22Å; F4-R67 HydrophobicContact CE1-CG 4.4Å; R67-G76 CarbonylContact O-C 3.43Å; R67-G76 WeakPolarHBondContact O-CA 3.27Å; R67-I77 PolarHBondContact N-O 2.96Å; R67-I77 PolarHBondContact O-N 3.42Å; R67-I79 HydrophobicContact CB-CD1 4.09Å
68E91.5Very high88.7Confident10 Ų1071.5 Ų71.55%0.04737%0.365CS..EExtended strand (participates in β ladder)trans-101.2140.1170.4-63.7-179.1152.400110L3 V5 W66 Q72 G73L3-E68 HydrophobicContact CB-CB 3.94Å; L3-E68 HydrophobicContact CD1-CB 4.36Å; L3-E68 PolarHBondContact O-N 3.36Å; V5-E68 VanDerWaalsContact CG2-CD 3.45Å; V5-E68 HydrophobicContact CG2-CG 3.94Å; W66-E68 PolarHBondContact NE1-OE1 3.34Å; E68-Q72 VanDerWaalsContact OE2-CA 3.26Å; E68-Q72 WeakPolarHBondContact OE2-CA 3.48Å; E68-G73 VanDerWaalsContact CD-N 3.28Å; E68-G73 WeakPolarHBondContact OE1-CA 3.47Å; E68-G73 PolarHBondContact OE1-N 3.36Å; E68-G73 PolarHBondContact OE2-N 2.81Å; E68-G73 VanDerWaalsContact OE2-N 3.08Å
69L80.1Confident88.8Confident84 Ų8464.5 Ų64.544%0.4434%0.336SS..SBendtrans-81.8-43.5-168.4-72.2171.4000114.3K75 I77L69-K75 PolarHBondContact N-O 3.14Å; L69-I77 HydrophobicContact CD2-CD1 4.04Å
70V76.4Confident89Confident105 Ų10564.4 Ų64.464%0.63634%0.339SS*.SBendtrans-133-60.8-169.9-171.90000110.8L3L3-V70 VanDerWaalsContact CD1-O 3.29Å; L3-V70 WeakPolarHBondContact CD1-O 3.42Å
71D77.4Confident89.3Confident113 Ų11357.5 Ų57.560%0.60431%0.312SS*.SBendtrans-117.4153.3-176.4-60-49.5000111.9G73 G74D71-G73 PolarHBondContact O-N 3.01Å; D71-G74 PolarHBondContact O-N 2.86Å
72Q76.1Confident89.3Confident144 Ų14451.4 Ų51.467%0.67329%0.285SS*.THydrogen-bonded Turntrans-60.9125.9174-172.4177.8-4.200110.1T35 E68 G74T35-Q72 PolarHBondContact OG1-NE2 3.13Å; E68-Q72 VanDerWaalsContact OE2-CA 3.26Å; E68-Q72 WeakPolarHBondContact OE2-CA 3.48Å; Q72-G74 VanDerWaalsContact C-N 3.32Å
73G76.9Confident89.2Confident41 Ų4155.5 Ų55.542%0.42331%0.306SS..THydrogen-bonded Turntrans80.95.2-175.400000115.4E68 D71E68-G73 VanDerWaalsContact CD-N 3.28Å; E68-G73 WeakPolarHBondContact OE1-CA 3.47Å; E68-G73 PolarHBondContact OE1-N 3.36Å; E68-G73 PolarHBondContact OE2-N 2.81Å; E68-G73 VanDerWaalsContact OE2-N 3.08Å; D71-G73 PolarHBondContact O-N 3.01Å
74G81.1Confident89.1Confident30 Ų3059.4 Ų59.431%0.30932%0.323SS..SBendtrans-73.6-163.4174.800000114.1D71 Q72 G76D71-G74 PolarHBondContact O-N 2.86Å; Q72-G74 VanDerWaalsContact C-N 3.32Å; G74-G76 PolarHBondContact O-N 3.1Å; G74-G76 VanDerWaalsContact O-N 3.17Å
75K84.1Confident89.1Confident173 Ų17359.2 Ų59.275%0.75232%0.323SS*.SBendtrans-64.7118177.2-172.4174.8-179.1177.60110.1L69L69-K75 PolarHBondContact N-O 3.14Å
76G89.1Confident88.9Confident9 Ų961 Ų619%0.09333%0.331CS..EExtended strand (participates in β ladder)trans-95.7159.6178.500000113.7W57 R67 G74W57-G76 WeakPolarHBondContact CZ2-O 3.36Å; R67-G76 CarbonylContact O-C 3.43Å; R67-G76 WeakPolarHBondContact O-CA 3.27Å; G74-G76 PolarHBondContact O-N 3.1Å; G74-G76 VanDerWaalsContact O-N 3.17Å
77I93Very high88.8Confident94 Ų9467.4 Ų67.448%0.48236%0.361SS..EExtended strand (participates in β ladder)trans-123120.5169-59.6174.7000107.7W66 R67 L69 I79W66-I77 CarbonylContact C-O 3.57Å; W66-I77 VanDerWaalsContact CA-O 3.31Å; W66-I77 WeakPolarHBondContact CA-O 3.37Å; W66-I77 VanDerWaalsContact CB-O 3.29Å; W66-I77 WeakPolarHBondContact CB-O 3.26Å; R67-I77 PolarHBondContact N-O 2.96Å; R67-I77 PolarHBondContact O-N 3.42Å; L69-I77 HydrophobicContact CD2-CD1 4.04Å; I77-I79 PolarHBondContact O-N 3.31Å
78L95.1Very high88.8Confident66 Ų6664.2 Ų64.235%0.34635%0.352SS..EExtended strand (participates in β ladder)trans-61.6131.2177-177.265.3000110.4W57 V64W57-L78 HydrophobicContact CB-CD2 4.18Å; W57-L78 HydrophobicContact CD2-CB 3.82Å; W57-L78 HydrophobicContact CD2-CD1 4.33Å; W57-L78 HydrophobicContact CD2-CD2 4.46Å; W57-L78 HydrophobicContact CD2-CG 4.43Å; W57-L78 HydrophobicContact CE3-CB 4.16Å; W57-L78 HydrophobicContact CE3-CD1 4.03Å; W57-L78 HydrophobicContact CG-CB 4.22Å; W57-L78 HydrophobicContact CG-CD2 4.12Å; W57-L78 HydrophobicContact CZ2-CB 4.19Å; W57-L78 HydrophobicContact CZ3-CB 4.49Å; V64-L78 HydrophobicContact CG2-CD1 3.62Å
79I94.7Very high88.9Confident36 Ų3663.8 Ų63.819%0.18535%0.35CS..EExtended strand (participates in β ladder)trans-97.2-45.4172.7-64.8165.8000109.4F4 V65 R67 I77 E84 L88F4-I79 HydrophobicContact CD1-CD1 3.49Å; F4-I79 VanDerWaalsContact CD1-CD1 3.49Å; F4-I79 HydrophobicContact CE1-CD1 3.44Å; F4-I79 VanDerWaalsContact CE1-CD1 3.44Å; V65-I79 HydrophobicContact CB-CB 4.49Å; V65-I79 HydrophobicContact CG1-CD1 4.08Å; V65-I79 WeakPolarHBondContact O-CB 3.24Å; V65-I79 PolarHBondContact O-N 3.04Å; R67-I79 HydrophobicContact CB-CD1 4.09Å; I77-I79 PolarHBondContact O-N 3.31Å; I79-E84 HydrophobicContact CG2-CB 4.24Å; I79-E84 WeakPolarHBondContact O-CB 3.25Å; I79-L88 HydrophobicContact CD1-CD1 4.11Å; I79-L88 HydrophobicContact CG1-CD1 4.28Å; I79-L88 HydrophobicContact CG2-CD1 4Å
80G95.6Very high89.5Confident18 Ų1861.1 Ų61.119%0.18634%0.34CS..EExtended strand (participates in β ladder)trans138.8-145.7-178.200000111.2V64 V65V64-G80 CarbonylContact C-O 3.6Å; V64-G80 WeakPolarHBondContact CA-O 3.14Å; V65-G80 PolarHBondContact N-O 3.4Å; V65-G80 PolarHBondContact O-N 3.46Å
81G95.4Very high90.3Very high19 Ų1960 Ų6020%0.19634%0.342CS..SBendtrans-97.3-150.5175.900000112.8P63 E84 F85P63-G81 VanDerWaalsContact O-CA 3.23Å; P63-G81 WeakPolarHBondContact O-CA 3.43Å; G81-E84 VanDerWaalsContact CA-OE2 3.32Å; G81-E84 WeakPolarHBondContact CA-OE2 3.42Å; G81-E84 PolarHBondContact N-OE2 3.07Å; G81-F85 WeakPolarHBondContact O-CB 3.44Å; G81-F85 PolarHBondContact O-N 2.72Å
82A93.5Very high91Very high8 Ų863.3 Ų63.37%0.06635%0.347CS..Hα-helixtrans-66-40.5-176.700000113F14 I18 P63 Q86F14-A82 HydrophobicContact CB-CB 3.94Å; I18-A82 HydrophobicContact CG2-CB 3.73Å; P63-A82 HydrophobicContact CG-CB 3.77Å; A82-Q86 WeakPolarHBondContact O-CB 3.27Å; A82-Q86 VanDerWaalsContact O-CG 3.25Å; A82-Q86 WeakPolarHBondContact O-CG 3.27Å; A82-Q86 PolarHBondContact O-N 3.32Å; A82-Q86 PolarHBondContact O-OE1 3.12Å
83N93.5Very high91.7Very high94 Ų9460.3 Ų60.350%0.50333%0.33SS..Hα-helixtrans-68.4-48.2-175.4-66-20000110.7F85 Q86 E87N83-F85 VanDerWaalsContact C-N 3.28Å; N83-F85 PolarHBondContact O-N 3.26Å; N83-Q86 PolarHBondContact O-N 2.97Å; N83-Q86 VanDerWaalsContact O-N 3.13Å; N83-E87 WeakPolarHBondContact O-CG 3.49Å; N83-E87 PolarHBondContact O-N 2.86Å
84E95.1Very high92.3Very high88 Ų8861.4 Ų61.441%0.41134%0.342SS..Hα-helixtrans-61.7-39179.6-62.475.1-16500111.1I79 G81 L88I79-E84 HydrophobicContact CG2-CB 4.24Å; I79-E84 WeakPolarHBondContact O-CB 3.25Å; G81-E84 VanDerWaalsContact CA-OE2 3.32Å; G81-E84 WeakPolarHBondContact CA-OE2 3.42Å; G81-E84 PolarHBondContact N-OE2 3.07Å; E84-L88 WeakPolarHBondContact O-CB 3.24Å; E84-L88 PolarHBondContact O-N 3.45Å
85F95.2Very high92.6Very high0 Ų062.7 Ų62.70%034%0.34CS..Hα-helixtrans-66.5-41.9175.1-178.2-115.2000112.4F4 I18 L21 A22 F32 V65 G81 N83 L88 V89F4-F85 HydrophobicContact CD1-CE2 4.07Å; F4-F85 HydrophobicContact CE1-CE2 4.38Å; F4-F85 HydrophobicContact CG-CE2 4.38Å; I18-F85 HydrophobicContact CB-CD1 3.89Å; I18-F85 HydrophobicContact CB-CE1 4.27Å; I18-F85 HydrophobicContact CG2-CD1 3.98Å; L21-F85 HydrophobicContact CD2-CE1 4.39Å; A22-F85 HydrophobicContact CB-CE1 4.25Å; A22-F85 HydrophobicContact CB-CZ 4.27Å; F32-F85 HydrophobicContact CZ-CZ 4.27Å; V65-F85 HydrophobicContact CB-CB 4.25Å; V65-F85 HydrophobicContact CB-CD2 4.39Å; V65-F85 HydrophobicContact CB-CG 4.42Å; V65-F85 HydrophobicContact CG1-CB 4.41Å; V65-F85 HydrophobicContact CG1-CD2 3.64Å; V65-F85 HydrophobicContact CG1-CE2 4.08Å; V65-F85 HydrophobicContact CG1-CG 4.07Å; V65-F85 HydrophobicContact CG2-CB 3.9Å; V65-F85 HydrophobicContact CG2-CG 4.1Å; G81-F85 WeakPolarHBondContact O-CB 3.44Å; G81-F85 PolarHBondContact O-N 2.72Å; N83-F85 VanDerWaalsContact C-N 3.28Å; N83-F85 PolarHBondContact O-N 3.26Å; F85-L88 PolarHBondContact O-N 3.27Å; F85-V89 HydrophobicContact CD1-CG2 4.34Å; F85-V89 HydrophobicContact CD2-CG2 4.22Å; F85-V89 HydrophobicContact CE1-CG2 3.97Å; F85-V89 HydrophobicContact CE2-CG2 3.83Å; F85-V89 HydrophobicContact CG-CG2 4.48Å; F85-V89 HydrophobicContact CZ-CG2 3.7Å; F85-V89 WeakPolarHBondContact O-CB 3.46Å; F85-V89 VanDerWaalsContact O-CG2 3.28Å; F85-V89 WeakPolarHBondContact O-CG2 3.24Å; F85-V89 PolarHBondContact O-N 3.16Å
86Q93.7Very high92.6Very high36 Ų3661.3 Ų61.317%0.16834%0.336CS..Hα-helixtrans-66.3-40.3177.7-73.6173.8-91.700112.3I18 L21 A82 N83 L88 V89 A90 T97I18-Q86 HydrophobicContact CG2-CG 4.23Å; L21-Q86 HydrophobicContact CD2-CG 4Å; A82-Q86 WeakPolarHBondContact O-CB 3.27Å; A82-Q86 VanDerWaalsContact O-CG 3.25Å; A82-Q86 WeakPolarHBondContact O-CG 3.27Å; A82-Q86 PolarHBondContact O-N 3.32Å; A82-Q86 PolarHBondContact O-OE1 3.12Å; N83-Q86 PolarHBondContact O-N 2.97Å; N83-Q86 VanDerWaalsContact O-N 3.13Å; Q86-L88 VanDerWaalsContact C-N 3.35Å; Q86-V89 PolarHBondContact O-N 3.04Å; Q86-A90 VanDerWaalsContact O-CB 3.31Å; Q86-A90 WeakPolarHBondContact O-CB 3.34Å; Q86-A90 PolarHBondContact O-N 2.94Å; Q86-T97 HydrophobicContact CG-CG2 4.42Å
87E94.4Very high92.2Very high141 Ų14162.5 Ų62.566%0.65934%0.341SS*.Hα-helixtrans-61.4-45.1174.1-73.9179.8-175.800111.1N83 V89 A90 A91N83-E87 WeakPolarHBondContact O-CG 3.49Å; N83-E87 PolarHBondContact O-N 2.86Å; E87-V89 VanDerWaalsContact C-N 3.34Å; E87-V89 PolarHBondContact O-N 2.93Å; E87-A90 PolarHBondContact O-N 3.27Å; E87-A91 VanDerWaalsContact O-CB 3.27Å; E87-A91 WeakPolarHBondContact O-CB 3.45Å; E87-A91 PolarHBondContact O-N 3Å
88L94Very high91.6Very high40 Ų4065.7 Ų65.721%0.20936%0.359CS..Hα-helixtrans-58.8-47.3174.3-176.9152.7000110.9F4 I79 E84 F85 Q86 A91 Y92 Y93F4-L88 HydrophobicContact CE1-CD2 4.2Å; F4-L88 HydrophobicContact CZ-CD2 4.16Å; I79-L88 HydrophobicContact CD1-CD1 4.11Å; I79-L88 HydrophobicContact CG1-CD1 4.28Å; I79-L88 HydrophobicContact CG2-CD1 4Å; E84-L88 WeakPolarHBondContact O-CB 3.24Å; E84-L88 PolarHBondContact O-N 3.45Å; F85-L88 PolarHBondContact O-N 3.27Å; Q86-L88 VanDerWaalsContact C-N 3.35Å; L88-A91 PolarHBondContact O-N 3.02Å; L88-Y92 HydrophobicContact CD2-CD2 4.38Å; L88-Y92 HydrophobicContact CG-CD2 3.96Å; L88-Y92 HydrophobicContact CG-CE2 4.35Å; L88-Y92 WeakPolarHBondContact O-CB 3.44Å; L88-Y92 WeakPolarHBondContact O-CD2 3.37Å; L88-Y92 PolarHBondContact O-N 2.86Å; L88-Y93 HydrophobicContact CD2-CE2 4.35Å
89V93Very high91.1Very high0 Ų063.9 Ų63.90%035%0.349CS..Hα-helixtrans-64.9-43.7-178.5168.90000111.8L21 L25 F85 Q86 E87 A91 Y93 G94 E95L21-V89 HydrophobicContact CD1-CG1 4.1Å; L21-V89 HydrophobicContact CD2-CB 4.21Å; L21-V89 HydrophobicContact CD2-CG1 4.03Å; L21-V89 HydrophobicContact CD2-CG2 4.34Å; L21-V89 HydrophobicContact CG-CG1 4.21Å; L25-V89 HydrophobicContact CD1-CB 4.27Å; L25-V89 HydrophobicContact CD1-CG1 3.62Å; L25-V89 HydrophobicContact CD1-CG2 3.55Å; L25-V89 HydrophobicContact CD2-CG1 4.12Å; L25-V89 HydrophobicContact CG-CG1 4.35Å; F85-V89 HydrophobicContact CD1-CG2 4.34Å; F85-V89 HydrophobicContact CD2-CG2 4.22Å; F85-V89 HydrophobicContact CE1-CG2 3.97Å; F85-V89 HydrophobicContact CE2-CG2 3.83Å; F85-V89 HydrophobicContact CG-CG2 4.48Å; F85-V89 HydrophobicContact CZ-CG2 3.7Å; F85-V89 WeakPolarHBondContact O-CB 3.46Å; F85-V89 VanDerWaalsContact O-CG2 3.28Å; F85-V89 WeakPolarHBondContact O-CG2 3.24Å; F85-V89 PolarHBondContact O-N 3.16Å; Q86-V89 PolarHBondContact O-N 3.04Å; E87-V89 VanDerWaalsContact C-N 3.34Å; E87-V89 PolarHBondContact O-N 2.93Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 2.91Å; V89-Y93 HydrophobicContact CG1-CD2 4.46Å; V89-Y93 HydrophobicContact CG2-CD2 4.49Å; V89-Y93 WeakPolarHBondContact O-CA 3.15Å; V89-Y93 WeakPolarHBondContact O-CB 3.29Å; V89-Y93 PolarHBondContact O-N 3.34Å; V89-G94 PolarHBondContact O-N 2.99Å; V89-E95 HydrophobicContact CG1-CB 3.74Å
90A93.1Very high90.8Very high29 Ų2970.5 Ų70.524%0.2437%0.371CS..Hα-helixtrans-62.5-42.4177.600000111.5Q86 E87 G94 E95 Q96Q86-A90 VanDerWaalsContact O-CB 3.31Å; Q86-A90 WeakPolarHBondContact O-CB 3.34Å; Q86-A90 PolarHBondContact O-N 2.94Å; E87-A90 PolarHBondContact O-N 3.27Å; A90-G94 VanDerWaalsContact O-CA 3.31Å; A90-G94 WeakPolarHBondContact O-CA 3.47Å; A90-G94 PolarHBondContact O-N 2.93Å; A90-E95 VanDerWaalsContact CA-O 3.29Å; A90-E95 WeakPolarHBondContact CA-O 3.39Å; A90-E95 PolarHBondContact N-O 3.06Å; A90-Q96 HydrophobicContact CB-CG 3.89Å
91A92.7Very high90.4Very high81 Ų8174.2 Ų74.267%0.66939%0.391SS*.Hα-helixtrans-71-42.7-178.900000113.1E87 L88 V89E87-A91 VanDerWaalsContact O-CB 3.27Å; E87-A91 WeakPolarHBondContact O-CB 3.45Å; E87-A91 PolarHBondContact O-N 3Å; L88-A91 PolarHBondContact O-N 3.02Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 2.91Å
92Y91.4Very high90.2Very high183 Ų18377.6 Ų77.672%0.71840%0.404SS*.Hα-helixtrans-93-31.2-172.8-78.2-88.4000114.3L88L88-Y92 HydrophobicContact CD2-CD2 4.38Å; L88-Y92 HydrophobicContact CG-CD2 3.96Å; L88-Y92 HydrophobicContact CG-CE2 4.35Å; L88-Y92 WeakPolarHBondContact O-CB 3.44Å; L88-Y92 WeakPolarHBondContact O-CD2 3.37Å; L88-Y92 PolarHBondContact O-N 2.86Å
93Y90.6Very high90Very high80 Ų8081.4 Ų81.431%0.31442%0.421SS..Hα-helixtrans-117-4.5-174.8-55.3-74.7000113.2L25 L29 F32 L88 V89 E95L25-Y93 HydrophobicContact CD2-CG 4.29Å; L29-Y93 HydrophobicContact CD1-CD1 3.35Å; L29-Y93 HydrophobicContact CD1-CE1 3.69Å; L29-Y93 HydrophobicContact CD1-CG 3.95Å; F32-Y93 HydrophobicContact CD2-CE1 4.19Å; F32-Y93 HydrophobicContact CD2-CE2 4.08Å; F32-Y93 AromaticContact CD2-CZ 3.69Å; F32-Y93 HydrophobicContact CE2-CD2 4.36Å; F32-Y93 AromaticContact CE2-CE2 3.63Å; F32-Y93 HydrophobicContact CE2-CE2 3.63Å; F32-Y93 AromaticContact CE2-CZ 3.72Å; L88-Y93 HydrophobicContact CD2-CE2 4.35Å; V89-Y93 HydrophobicContact CG1-CD2 4.46Å; V89-Y93 HydrophobicContact CG2-CD2 4.49Å; V89-Y93 WeakPolarHBondContact O-CA 3.15Å; V89-Y93 WeakPolarHBondContact O-CB 3.29Å; V89-Y93 PolarHBondContact O-N 3.34Å; Y93-E95 PolarHBondContact O-N 3.29Å
94G90Very high89.8Confident65 Ų6577.7 Ų77.767%0.6740%0.4SS*.  trans66.915.2-179.100000113.7V89 A90V89-G94 PolarHBondContact O-N 2.99Å; A90-G94 VanDerWaalsContact O-CA 3.31Å; A90-G94 WeakPolarHBondContact O-CA 3.47Å; A90-G94 PolarHBondContact O-N 2.93Å
95E87.8Confident89.7Confident57 Ų5776.9 Ų76.927%0.26640%0.398SS..  trans-101.6133.4-174.8-77.3-71.8177.200110.4K24 L25 V89 A90 Y93K24-E95 IonicContact NZ-OE1 3.6Å; K24-E95 IonicContact NZ-OE2 3.6Å; K24-E95 PolarHBondContact NZ-OE2 3.39Å; L25-E95 HydrophobicContact CD2-CB 4.05Å; L25-E95 HydrophobicContact CD2-CG 3.89Å; V89-E95 HydrophobicContact CG1-CB 3.74Å; A90-E95 VanDerWaalsContact CA-O 3.29Å; A90-E95 WeakPolarHBondContact CA-O 3.39Å; A90-E95 PolarHBondContact N-O 3.06Å; Y93-E95 PolarHBondContact O-N 3.29Å
96Q84.8Confident89.6Confident144 Ų14480.8 Ų80.867%0.67342%0.419SS*.  trans-130.3150.1175.2-67.1-172.83.300109.9A90A90-Q96 HydrophobicContact CB-CG 3.89Å
97T80.5Confident89.4Confident34 Ų3480.4 Ų80.421%0.20942%0.418CS..  trans-108.6120174.1178.10000109.6R17 L21 Q86 M99R17-T97 HydrophobicContact CG-CG2 3.77Å; L21-T97 HydrophobicContact CD2-CG2 4.12Å; Q86-T97 HydrophobicContact CG-CG2 4.42Å; T97-M99 VanDerWaalsContact C-N 3.3Å
98L80.2Confident89.3Confident161 Ų16175 Ų7584%0.84339%0.393SS*.  trans-98.328175.2-70.6167.4000111.4R100L98-R100 PolarHBondContact O-N 3.37Å
99M83.5Confident89.3Confident28 Ų2879.1 Ų79.114%0.13841%0.409CS..  trans-59124.4-176.5-170.5-178.9-66.800110.7R17 L20 T97 E103 M104 I107R17-M99 HydrophobicContact CB-SD 4.21Å; R17-M99 HydrophobicContact CG-CB 4.42Å; R17-M99 HydrophobicContact CG-SD 4.36Å; L20-M99 HydrophobicContact CB-CE 3.95Å; L20-M99 HydrophobicContact CD1-CE 3.69Å; L20-M99 HydrophobicContact CG-CE 4.15Å; T97-M99 VanDerWaalsContact C-N 3.3Å; M99-E103 WeakPolarHBondContact CA-OE2 3.45Å; M99-E103 HydrophobicContact CG-CB 3.64Å; M99-E103 HydrophobicContact SD-CB 4.48Å; M99-M104 HydrophobicContact CB-CG 4.35Å; M99-M104 HydrophobicContact CG-CG 3.72Å; M99-M104 HydrophobicContact SD-CB 4.17Å; M99-M104 HydrophobicContact SD-CG 3.36Å; M99-M104 WeakPolarHBondContact SD-CG 3.34Å; M99-I107 HydrophobicContact CE-CD1 3.5Å; M99-I107 HydrophobicContact SD-CD1 3.48Å; M99-I107 WeakPolarHBondContact SD-CD1 3.2Å
100R87.9Confident89.3Confident175 Ų17583 Ų8366%0.6643%0.43SS*.  trans-75.2159.6179.1-62.9179.7177.7175.80.9110.5L98 D102 E103 M104L98-R100 PolarHBondContact O-N 3.37Å; R100-D102 VanDerWaalsContact C-N 3.27Å; R100-D102 WeakPolarHBondContact CB-OD1 3.3Å; R100-D102 PolarHBondContact O-N 2.7Å; R100-E103 HydrophobicContact CB-CG 4.44Å; R100-E103 PolarHBondContact N-OE2 3.12Å; R100-E103 VanDerWaalsContact N-OE2 3.13Å; R100-E103 WeakPolarHBondContact O-CB 3.33Å; R100-E103 PolarHBondContact O-N 3.16Å; R100-E103 VanDerWaalsContact O-N 3.15Å; R100-M104 PolarHBondContact O-N 3.11Å
101T88.6Confident89.4Confident96 Ų9682.6 Ų82.659%0.58942%0.424SS*.Hα-helixtrans-60.2-37.1-177.6-52.60000112.9M104 L105T101-M104 HydrophobicContact CG2-CE 4.39Å; T101-M104 PolarHBondContact O-N 3.09Å; T101-L105 HydrophobicContact CG2-CD1 4.29Å; T101-L105 VanDerWaalsContact O-CG 3.25Å; T101-L105 WeakPolarHBondContact O-CG 3.44Å; T101-L105 PolarHBondContact O-N 3.41Å; T101-L105 VanDerWaalsContact O-N 3.07Å
102D90.4Very high89.4Confident89 Ų8981.2 Ų81.248%0.47641%0.405SS..Hα-helixtrans-64.2-40.7175.356.9-44.4000112.6R100 L105 N106R100-D102 VanDerWaalsContact C-N 3.27Å; R100-D102 WeakPolarHBondContact CB-OD1 3.3Å; R100-D102 PolarHBondContact O-N 2.7Å; D102-L105 PolarHBondContact O-N 3.18Å; D102-N106 VanDerWaalsContact O-CG 3.3Å; D102-N106 PolarHBondContact O-N 3.45Å; D102-N106 PolarHBondContact O-ND2 3.34Å
103E89.5Confident89.6Confident89 Ų8978.7 Ų78.742%0.41640%0.398SS..Hα-helixtrans-64.4-46.5174.7-66.1173.7167.200111.5M99 R100 L105 N106 I107M99-E103 WeakPolarHBondContact CA-OE2 3.45Å; M99-E103 HydrophobicContact CG-CB 3.64Å; M99-E103 HydrophobicContact SD-CB 4.48Å; R100-E103 HydrophobicContact CB-CG 4.44Å; R100-E103 PolarHBondContact N-OE2 3.12Å; R100-E103 VanDerWaalsContact N-OE2 3.13Å; R100-E103 WeakPolarHBondContact O-CB 3.33Å; R100-E103 PolarHBondContact O-N 3.16Å; R100-E103 VanDerWaalsContact O-N 3.15Å; E103-L105 VanDerWaalsContact C-N 3.27Å; E103-L105 PolarHBondContact O-N 2.93Å; E103-N106 PolarHBondContact O-N 3.41Å; E103-N106 VanDerWaalsContact O-N 3.1Å; E103-I107 WeakPolarHBondContact O-CD1 3.44Å; E103-I107 WeakPolarHBondContact O-CG1 3.46Å; E103-I107 PolarHBondContact O-N 3.36Å
104M89.8Confident89.8Confident15 Ų1581.8 Ų81.87%0.07441%0.41CS..Hα-helixtrans-56.1-42.9176-72.7-171-71.900111.6P13 R17 M99 R100 T101 M108P13-M104 HydrophobicContact CB-CB 4.14Å; R17-M104 HydrophobicContact CB-CG 4.14Å; R17-M104 HydrophobicContact CB-SD 3.91Å; R17-M104 HydrophobicContact CG-SD 4.28Å; M99-M104 HydrophobicContact CB-CG 4.35Å; M99-M104 HydrophobicContact CG-CG 3.72Å; M99-M104 HydrophobicContact SD-CB 4.17Å; M99-M104 HydrophobicContact SD-CG 3.36Å; M99-M104 WeakPolarHBondContact SD-CG 3.34Å; R100-M104 PolarHBondContact O-N 3.11Å; T101-M104 HydrophobicContact CG2-CE 4.39Å; T101-M104 PolarHBondContact O-N 3.09Å; M104-M108 VanDerWaalsContact O-CB 3.27Å; M104-M108 WeakPolarHBondContact O-CB 3.42Å; M104-M108 PolarHBondContact O-N 2.86Å
105L92.5Very high90Very high71 Ų7179.7 Ų79.737%0.37238%0.382SS..Hα-helixtrans-69.3-32.1179.3-70.5172.7000112.6P13 T101 D102 E103 M108 K109P13-L105 HydrophobicContact CG-CD2 4.15Å; T101-L105 HydrophobicContact CG2-CD1 4.29Å; T101-L105 VanDerWaalsContact O-CG 3.25Å; T101-L105 WeakPolarHBondContact O-CG 3.44Å; T101-L105 PolarHBondContact O-N 3.41Å; T101-L105 VanDerWaalsContact O-N 3.07Å; D102-L105 PolarHBondContact O-N 3.18Å; E103-L105 VanDerWaalsContact C-N 3.27Å; E103-L105 PolarHBondContact O-N 2.93Å; L105-M108 HydrophobicContact CD2-CE 3.84Å; L105-M108 HydrophobicContact CD2-SD 4.31Å; L105-K109 WeakPolarHBondContact O-CG 3.32Å; L105-K109 PolarHBondContact O-N 3.03Å
106N92.8Very high90.2Very high83 Ų8380.3 Ų80.344%0.44439%0.387SS..Hα-helixtrans-70.9-46176-72.5-22.8000111.5D102 E103 M108 K109 D110D102-N106 VanDerWaalsContact O-CG 3.3Å; D102-N106 PolarHBondContact O-N 3.45Å; D102-N106 PolarHBondContact O-ND2 3.34Å; E103-N106 PolarHBondContact O-N 3.41Å; E103-N106 VanDerWaalsContact O-N 3.1Å; N106-M108 VanDerWaalsContact C-N 3.3Å; N106-M108 PolarHBondContact O-N 3.36Å; N106-K109 WeakPolarHBondContact O-CB 3.3Å; N106-K109 PolarHBondContact O-N 2.83Å; N106-K109 VanDerWaalsContact O-N 3.09Å; N106-D110 PolarHBondContact O-N 3.35Å; N106-D110 VanDerWaalsContact O-N 3.12Å
107I90.9Very high90.6Very high27 Ų2777.6 Ų77.614%0.13837%0.374CS..Hα-helixtrans-63.5-39.7176.7-60.8153000110.5A16 L20 M99 E103 K109 D110 N111A16-I107 HydrophobicContact CB-CB 3.95Å; A16-I107 HydrophobicContact CB-CG2 3.65Å; L20-I107 HydrophobicContact CD1-CD1 3.29Å; L20-I107 HydrophobicContact CD1-CG1 4.01Å; L20-I107 HydrophobicContact CG-CD1 4.06Å; L20-I107 HydrophobicContact CG-CG2 4.49Å; M99-I107 HydrophobicContact CE-CD1 3.5Å; M99-I107 HydrophobicContact SD-CD1 3.48Å; M99-I107 WeakPolarHBondContact SD-CD1 3.2Å; E103-I107 WeakPolarHBondContact O-CD1 3.44Å; E103-I107 WeakPolarHBondContact O-CG1 3.46Å; E103-I107 PolarHBondContact O-N 3.36Å; I107-K109 VanDerWaalsContact C-N 3.29Å; I107-K109 PolarHBondContact O-N 3.07Å; I107-D110 PolarHBondContact O-N 3.25Å; I107-D110 VanDerWaalsContact O-N 3.11Å; I107-N111 PolarHBondContact O-N 3.1Å
108M92.2Very high91.1Very high29 Ų2979.9 Ų79.914%0.14338%0.382CS..Hα-helixtrans-56.6-41.8173.2179.6-16370.800112P13 A16 M104 L105 N106 D110 N111 I112P13-M108 HydrophobicContact CG-SD 3.72Å; A16-M108 HydrophobicContact CB-CB 4.48Å; M104-M108 VanDerWaalsContact O-CB 3.27Å; M104-M108 WeakPolarHBondContact O-CB 3.42Å; M104-M108 PolarHBondContact O-N 2.86Å; L105-M108 HydrophobicContact CD2-CE 3.84Å; L105-M108 HydrophobicContact CD2-SD 4.31Å; N106-M108 VanDerWaalsContact C-N 3.3Å; N106-M108 PolarHBondContact O-N 3.36Å; M108-D110 VanDerWaalsContact C-N 3.33Å; M108-N111 PolarHBondContact O-N 3.32Å; M108-I112 HydrophobicContact CG-CD1 4.29Å; M108-I112 VanDerWaalsContact O-CG1 3.3Å; M108-I112 WeakPolarHBondContact O-CG1 3.46Å; M108-I112 PolarHBondContact O-N 3.45Å
109K93.7Very high91.6Very high125 Ų12574.3 Ų74.354%0.54335%0.353SS..Hα-helixtrans-63.5-40.9176-71.3167.9-174.2169.80111.6L105 N106 I107 I112 K113L105-K109 WeakPolarHBondContact O-CG 3.32Å; L105-K109 PolarHBondContact O-N 3.03Å; N106-K109 WeakPolarHBondContact O-CB 3.3Å; N106-K109 PolarHBondContact O-N 2.83Å; N106-K109 VanDerWaalsContact O-N 3.09Å; I107-K109 VanDerWaalsContact C-N 3.29Å; I107-K109 PolarHBondContact O-N 3.07Å; K109-I112 PolarHBondContact O-N 3.4Å; K109-K113 PolarHBondContact O-N 2.84Å
110D93.7Very high92Very high82 Ų8278.1 Ų78.144%0.43937%0.371SS..Hα-helixtrans-64.8-42.9176.4-71.1-20.9000111.3N106 I107 M108 I112 K113 Y114N106-D110 PolarHBondContact O-N 3.35Å; N106-D110 VanDerWaalsContact O-N 3.12Å; I107-D110 PolarHBondContact O-N 3.25Å; I107-D110 VanDerWaalsContact O-N 3.11Å; M108-D110 VanDerWaalsContact C-N 3.33Å; D110-I112 PolarHBondContact O-N 3.38Å; D110-K113 WeakPolarHBondContact O-CB 3.4Å; D110-K113 PolarHBondContact O-N 3.24Å; D110-K113 VanDerWaalsContact O-N 3.12Å; D110-Y114 HydrophobicContact CB-CD2 4.28Å; D110-Y114 HydrophobicContact CB-CE2 4.21Å; D110-Y114 WeakPolarHBondContact O-CD2 3.25Å; D110-Y114 PolarHBondContact O-N 3.41Å
111N93.4Very high92.1Very high21 Ų2174 Ų7411%0.11236%0.359CS..Hα-helixtrans-60.1-42.9176.6-74.3-4.6000112.6C10 E19 I107 M108 K115C10-N111 HydrophobicContact CB-CB 4.49Å; C10-N111 WeakPolarHBondContact O-CB 3.14Å; E19-N111 PolarHBondContact OE2-ND2 2.9Å; E19-N111 PolarHBondContact OE2-OD1 3.12Å; I107-N111 PolarHBondContact O-N 3.1Å; M108-N111 PolarHBondContact O-N 3.32Å; N111-K115 WeakPolarHBondContact O-CB 3.43Å; N111-K115 PolarHBondContact O-N 3.32Å
112I94.4Very high91.9Very high51 Ų5173.6 Ų73.626%0.26235%0.35SS..Hα-helixtrans-59.6-49.1173.6-66.8164.4000109.8C10 N11 M108 K109 D110 K115 I116C10-I112 HydrophobicContact CB-CG1 4.44Å; N11-I112 HydrophobicContact CB-CD1 3.78Å; N11-I112 HydrophobicContact CB-CG1 4Å; M108-I112 HydrophobicContact CG-CD1 4.29Å; M108-I112 VanDerWaalsContact O-CG1 3.3Å; M108-I112 WeakPolarHBondContact O-CG1 3.46Å; M108-I112 PolarHBondContact O-N 3.45Å; K109-I112 PolarHBondContact O-N 3.4Å; D110-I112 PolarHBondContact O-N 3.38Å; I112-K115 PolarHBondContact O-N 2.99Å; I112-I116 HydrophobicContact CG2-CD1 3.73Å; I112-I116 HydrophobicContact CG2-CG1 4.49Å; I112-I116 VanDerWaalsContact O-CG1 3.25Å; I112-I116 WeakPolarHBondContact O-CG1 3.45Å; I112-I116 PolarHBondContact O-N 3.25Å
113K94.9Very high91.7Very high131 Ų13174.1 Ų74.157%0.5735%0.35SS*.Hα-helixtrans-60-50.6-178.7-178.1-173.2174.1-170.50111.9K109 D110 I116 Q117K109-K113 PolarHBondContact O-N 2.84Å; D110-K113 WeakPolarHBondContact O-CB 3.4Å; D110-K113 PolarHBondContact O-N 3.24Å; D110-K113 VanDerWaalsContact O-N 3.12Å; K113-I116 PolarHBondContact O-N 2.84Å; K113-Q117 PolarHBondContact O-N 3.06Å
114Y93.9Very high91.2Very high145 Ų14575.1 Ų75.157%0.56936%0.356SS*.Hα-helixtrans-66.4-37.2180-75.3-64.2000112.1D110 Q117 E118D110-Y114 HydrophobicContact CB-CD2 4.28Å; D110-Y114 HydrophobicContact CB-CE2 4.21Å; D110-Y114 WeakPolarHBondContact O-CD2 3.25Å; D110-Y114 PolarHBondContact O-N 3.41Å; Y114-Q117 PolarHBondContact O-N 3.12Å; Y114-E118 WeakPolarHBondContact O-CB 3.42Å; Y114-E118 PolarHBondContact O-N 3.05Å
115K94.6Very high90.8Very high20 Ų2080.9 Ų80.99%0.08738%0.38CS..Hα-helixtrans-65.6-42.2177.4-173.551.4178.8157.20111.9C10 V38 Q40 N111 I112 Q117 E118 D119C10-K115 HydrophobicContact CB-CB 3.97Å; C10-K115 HydrophobicContact CB-CG 4.23Å; V38-K115 HydrophobicContact CB-CD 4.31Å; V38-K115 HydrophobicContact CG1-CB 4.17Å; V38-K115 HydrophobicContact CG1-CD 4.03Å; V38-K115 HydrophobicContact CG1-CG 4Å; V38-K115 VanDerWaalsContact O-CE 3.28Å; V38-K115 WeakPolarHBondContact O-CE 3.38Å; Q40-K115 HydrophobicContact CG-CG 4.11Å; N111-K115 WeakPolarHBondContact O-CB 3.43Å; N111-K115 PolarHBondContact O-N 3.32Å; I112-K115 PolarHBondContact O-N 2.99Å; K115-Q117 VanDerWaalsContact C-N 3.31Å; K115-Q117 PolarHBondContact O-N 2.7Å; K115-E118 WeakPolarHBondContact CD-OE2 3.39Å; K115-E118 IonicContact NZ-OE2 3.46Å; K115-E118 PolarHBondContact NZ-OE2 2.87Å; K115-E118 PolarHBondContact O-N 3.34Å; K115-D119 WeakPolarHBondContact CE-OD1 3.34Å; K115-D119 IonicContact NZ-OD1 3.52Å; K115-D119 PolarHBondContact NZ-OD1 3.49Å; K115-D119 WeakPolarHBondContact O-CB 3.1Å; K115-D119 PolarHBondContact O-N 3.32Å
116I92.8Very high90.1Very high71 Ų7182.8 Ų82.836%0.36439%0.39SS..Hα-helixtrans-58.9-44.5173.2-69.6167.2000110.8I112 K113 Q120I112-I116 HydrophobicContact CG2-CD1 3.73Å; I112-I116 HydrophobicContact CG2-CG1 4.49Å; I112-I116 VanDerWaalsContact O-CG1 3.25Å; I112-I116 WeakPolarHBondContact O-CG1 3.45Å; I112-I116 PolarHBondContact O-N 3.25Å; K113-I116 PolarHBondContact O-N 2.84Å; I116-Q120 WeakPolarHBondContact O-CB 3.28Å; I116-Q120 WeakPolarHBondContact O-CG 3.27Å; I116-Q120 PolarHBondContact O-N 3.47Å
117Q93Very high89.3Confident86 Ų8684.1 Ų84.140%0.40240%0.397SS..Hα-helixtrans-64.6-44.9178.2-175.4-178.8-20.100112K113 Y114 K115 D119 Q120 E121K113-Q117 PolarHBondContact O-N 3.06Å; Y114-Q117 PolarHBondContact O-N 3.12Å; K115-Q117 VanDerWaalsContact C-N 3.31Å; K115-Q117 PolarHBondContact O-N 2.7Å; Q117-D119 PolarHBondContact O-N 2.83Å; Q117-Q120 WeakPolarHBondContact O-CB 3.43Å; Q117-Q120 PolarHBondContact O-N 2.81Å; Q117-E121 PolarHBondContact NE2-OE1 2.92Å; Q117-E121 WeakPolarHBondContact O-CG 3.27Å; Q117-E121 PolarHBondContact O-N 2.92Å
118E91.5Very high88.6Confident83 Ų8389 Ų8939%0.38842%0.424SS..Hα-helixtrans-59.8-47177.2-174.7-168.2-159.300111.2Y114 K115 Q120 E121 Q122Y114-E118 WeakPolarHBondContact O-CB 3.42Å; Y114-E118 PolarHBondContact O-N 3.05Å; K115-E118 WeakPolarHBondContact CD-OE2 3.39Å; K115-E118 IonicContact NZ-OE2 3.46Å; K115-E118 PolarHBondContact NZ-OE2 2.87Å; K115-E118 PolarHBondContact O-N 3.34Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 2.84Å; E118-E121 PolarHBondContact O-N 3.21Å; E118-Q122 WeakPolarHBondContact O-CB 3.21Å; E118-Q122 WeakPolarHBondContact O-CG 3.46Å; E118-Q122 PolarHBondContact O-N 2.99Å; E118-Q122 PolarHBondContact OE1-NE2 3.2Å
119D90.9Very high87.6Confident44 Ų4492 Ų9224%0.23544%0.444CS..Hα-helixtrans-63.2-38.9178.8-65.1-23.4000110.8Q40 K115 Q117 Q122 Q123Q40-D119 VanDerWaalsContact CG-OD2 3.27Å; Q40-D119 WeakPolarHBondContact CG-OD2 3.47Å; Q40-D119 PolarHBondContact NE2-OD2 3.44Å; K115-D119 WeakPolarHBondContact CE-OD1 3.34Å; K115-D119 IonicContact NZ-OD1 3.52Å; K115-D119 PolarHBondContact NZ-OD1 3.49Å; K115-D119 WeakPolarHBondContact O-CB 3.1Å; K115-D119 PolarHBondContact O-N 3.32Å; Q117-D119 PolarHBondContact O-N 2.83Å; D119-Q122 PolarHBondContact O-N 2.86Å; D119-Q123 VanDerWaalsContact O-CB 3.27Å; D119-Q123 WeakPolarHBondContact O-CB 3.47Å; D119-Q123 PolarHBondContact O-N 3.26Å
120Q90.5Very high86.6Confident108 Ų10891.2 Ų91.251%0.50545%0.451SS..Hα-helixtrans-63.6-44.3173.4-75.2172.60.800112.1I116 Q117 E118 Q123 M124I116-Q120 WeakPolarHBondContact O-CB 3.28Å; I116-Q120 WeakPolarHBondContact O-CG 3.27Å; I116-Q120 PolarHBondContact O-N 3.47Å; Q117-Q120 WeakPolarHBondContact O-CB 3.43Å; Q117-Q120 PolarHBondContact O-N 2.81Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 2.84Å; Q120-Q123 PolarHBondContact O-N 2.9Å; Q120-M124 WeakPolarHBondContact O-CB 3.33Å; Q120-M124 VanDerWaalsContact O-CG 3.25Å; Q120-M124 WeakPolarHBondContact O-CG 3.4Å; Q120-M124 PolarHBondContact O-N 3.25Å
121E89.5Confident86.1Confident87 Ų8792.5 Ų92.541%0.40747%0.467SS..Hα-helixtrans-65.2-40.6177-74.2176.5-163.300111.8Q117 E118 M124 K125Q117-E121 PolarHBondContact NE2-OE1 2.92Å; Q117-E121 WeakPolarHBondContact O-CG 3.27Å; Q117-E121 PolarHBondContact O-N 2.92Å; E118-E121 PolarHBondContact O-N 3.21Å; E121-M124 PolarHBondContact O-N 3.42Å; E121-K125 VanDerWaalsContact O-CG 3.31Å; E121-K125 WeakPolarHBondContact O-CG 3.25Å; E121-K125 PolarHBondContact O-N 2.99Å
122Q86.1Confident86Confident88 Ų8893.4 Ų93.441%0.41147%0.474SS..Hα-helixtrans-64.4-45174.6-72.5-179.19.600111.2E118 D119 M124 K125 I126E118-Q122 WeakPolarHBondContact O-CB 3.21Å; E118-Q122 WeakPolarHBondContact O-CG 3.46Å; E118-Q122 PolarHBondContact O-N 2.99Å; E118-Q122 PolarHBondContact OE1-NE2 3.2Å; D119-Q122 PolarHBondContact O-N 2.86Å; Q122-M124 VanDerWaalsContact C-N 3.33Å; Q122-M124 PolarHBondContact O-N 3.1Å; Q122-K125 WeakPolarHBondContact O-CB 3.43Å; Q122-K125 PolarHBondContact O-N 3.25Å; Q122-I126 WeakPolarHBondContact O-CG1 3.42Å; Q122-I126 PolarHBondContact O-N 3.5Å
123Q84.4Confident85.9Confident101 Ų10191.8 Ų91.847%0.47247%0.467SS..Hα-helixtrans-63.5-39.8175.7-168.266.344.800111.4D119 Q120 I126 N127D119-Q123 VanDerWaalsContact O-CB 3.27Å; D119-Q123 WeakPolarHBondContact O-CB 3.47Å; D119-Q123 PolarHBondContact O-N 3.26Å; Q120-Q123 PolarHBondContact O-N 2.9Å; Q123-I126 PolarHBondContact O-N 3.48Å; Q123-N127 PolarHBondContact NE2-OD1 2.95Å; Q123-N127 VanDerWaalsContact O-CB 3.28Å; Q123-N127 WeakPolarHBondContact O-CB 3.28Å; Q123-N127 PolarHBondContact O-N 2.88Å; Q123-N127 PolarHBondContact O-ND2 3.41Å; Q123-N127 PolarHBondContact O-OD1 2.92Å
124M80.8Confident86Confident109 Ų10986.3 Ų86.354%0.53744%0.444SS..Hα-helixtrans-63.3-41.4173.5-76.7-176.5-167.800111.5Q120 E121 Q122 N127 N128Q120-M124 WeakPolarHBondContact O-CB 3.33Å; Q120-M124 VanDerWaalsContact O-CG 3.25Å; Q120-M124 WeakPolarHBondContact O-CG 3.4Å; Q120-M124 PolarHBondContact O-N 3.25Å; E121-M124 PolarHBondContact O-N 3.42Å; Q122-M124 VanDerWaalsContact C-N 3.33Å; Q122-M124 PolarHBondContact O-N 3.1Å; M124-N127 PolarHBondContact O-N 3.04Å; M124-N128 WeakPolarHBondContact O-CB 3.38Å; M124-N128 PolarHBondContact O-N 3.43Å; M124-N128 PolarHBondContact O-ND2 3.4Å
125K80.3Confident86.1Confident136 Ų13679.4 Ų79.459%0.59142%0.417SS*.Hα-helixtrans-61.3-44.7174.8-75.5171.7-175.81740111.6E121 Q122 N128 T129E121-K125 VanDerWaalsContact O-CG 3.31Å; E121-K125 WeakPolarHBondContact O-CG 3.25Å; E121-K125 PolarHBondContact O-N 2.99Å; Q122-K125 WeakPolarHBondContact O-CB 3.43Å; Q122-K125 PolarHBondContact O-N 3.25Å; K125-N128 PolarHBondContact O-N 3.24Å; K125-T129 WeakPolarHBondContact O-CB 3.49Å; K125-T129 PolarHBondContact O-N 2.97Å; K125-T129 PolarHBondContact O-OG1 2.68Å
126I78.4Confident86.3Confident111 Ų11178.5 Ų78.557%0.56941%0.413SS*.Hα-helixtrans-62.9-47.6176.6-66.8165.9000110.3Q122 Q123 N128 T129Q122-I126 WeakPolarHBondContact O-CG1 3.42Å; Q122-I126 PolarHBondContact O-N 3.5Å; Q123-I126 PolarHBondContact O-N 3.48Å; I126-N128 VanDerWaalsContact C-N 3.34Å; I126-N128 PolarHBondContact O-N 3.29Å; I126-T129 PolarHBondContact O-N 3.19Å
127N75.8Confident86.5Confident111 Ų11175.1 Ų75.159%0.59440%0.395SS*.Hα-helixtrans-68-32.3-178.7-68-5.3000113Q123 M124Q123-N127 PolarHBondContact NE2-OD1 2.95Å; Q123-N127 VanDerWaalsContact O-CB 3.28Å; Q123-N127 WeakPolarHBondContact O-CB 3.28Å; Q123-N127 PolarHBondContact O-N 2.88Å; Q123-N127 PolarHBondContact O-ND2 3.41Å; Q123-N127 PolarHBondContact O-OD1 2.92Å; M124-N127 PolarHBondContact O-N 3.04Å
128N75.9Confident86.6Confident130 Ų13071 Ų7170%0.69538%0.376SS*.Hα-helixtrans-83.8-15.5177.9-69.6-16.7000112.5M124 K125 I126 P130M124-N128 WeakPolarHBondContact O-CB 3.38Å; M124-N128 PolarHBondContact O-N 3.43Å; M124-N128 PolarHBondContact O-ND2 3.4Å; K125-N128 PolarHBondContact O-N 3.24Å; I126-N128 VanDerWaalsContact C-N 3.34Å; I126-N128 PolarHBondContact O-N 3.29Å; N128-P130 VanDerWaalsContact O-CD 3.28Å; N128-P130 WeakPolarHBondContact O-CD 3.47Å
129T71.3Confident86.7Confident92 Ų9267.1 Ų67.156%0.56436%0.359SS*.SBendtrans-73.4114172.5-58.70000107.3K125 I126 S131K125-T129 WeakPolarHBondContact O-CB 3.49Å; K125-T129 PolarHBondContact O-N 2.97Å; K125-T129 PolarHBondContact O-OG1 2.68Å; I126-T129 PolarHBondContact O-N 3.19Å; T129-S131 PolarHBondContact O-N 2.8Å
130P73.2Confident86.8Confident109 Ų10965.1 Ų65.171%0.70835%0.348SS*.PPolyproline II helixtrans-60.3130.6-178.323.1-30.8000109.4N128N128-P130 VanDerWaalsContact O-CD 3.28Å; N128-P130 WeakPolarHBondContact O-CD 3.47Å
131S82.1Confident86.8Confident109 Ų10960.4 Ų60.476%0.76233%0.327SS*.PPolyproline II helixtrans-58.7141.5173.8-520000109.6T129T129-S131 PolarHBondContact O-N 2.8Å
132P91Very high86.2Confident39 Ų3958.4 Ų58.425%0.25333%0.331SS..PPolyproline II helixtrans-61.7149.617927.8-34.8000110.5N134 M162 E164P132-N134 PolarHBondContact O-OD1 3.38Å; P132-M162 CarbonylContact C-O 3.55Å; P132-M162 VanDerWaalsContact CA-O 3.29Å; P132-M162 WeakPolarHBondContact CA-O 3.38Å; P132-M162 HydrophobicContact CB-CB 4.09Å; P132-E164 HydrophobicContact CB-CB 4.05Å; P132-E164 HydrophobicContact CG-CB 4.05Å
133S93.5Very high85.8Confident17 Ų1756.1 Ų56.112%0.11932%0.319CS..EExtended strand (participates in β ladder)trans-80.6121.8175.7-85.70000110.2V135 E161 M162 I163 E164 K209S133-V135 PolarHBondContact O-N 3.4Å; S133-E161 PolarHBondContact OG-OE2 2.86Å; S133-M162 PolarHBondContact N-O 2.98Å; S133-I163 WeakPolarHBondContact O-CA 3.27Å; S133-E164 PolarHBondContact O-N 3.03Å; S133-K209 WeakPolarHBondContact OG-CD 3.47Å; S133-K209 PolarHBondContact OG-NZ 2.94Å
134N95.8Very high85.7Confident16 Ų1656.4 Ų56.49%0.08632%0.324CS..EExtended strand (participates in β ladder)trans-78.1115179.7-62.426.9000110P132 E164 Y166 H207 K209 Q210P132-N134 PolarHBondContact O-OD1 3.38Å; N134-E164 WeakPolarHBondContact CA-O 3.13Å; N134-Y166 HydrophobicContact CB-CD2 4.33Å; N134-Y166 HydrophobicContact CB-CE2 3.94Å; N134-Y166 VanDerWaalsContact ND2-CE2 3.35Å; N134-Y166 WeakPolarHBondContact ND2-CE2 3.47Å; N134-Y166 PolarHBondContact ND2-OH 2.82Å; N134-H207 WeakPolarHBondContact CB-O 3.31Å; N134-K209 PolarHBondContact O-N 3.46Å; N134-Q210 PolarHBondContact O-N 3.4Å
135V97.2Very high86.1Confident1 Ų151.3 Ų51.31%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-109.4123.7174.9179.50000107.8S133 F158 I163 E164 L165 Y166 Q210 I212S133-V135 PolarHBondContact O-N 3.4Å; V135-F158 HydrophobicContact CG2-CD2 4.42Å; V135-F158 HydrophobicContact CG2-CE2 3.9Å; V135-I163 HydrophobicContact CB-CG2 3.88Å; V135-I163 HydrophobicContact CG2-CG1 4.47Å; V135-I163 HydrophobicContact CG2-CG2 3.65Å; V135-E164 PolarHBondContact N-O 2.71Å; V135-L165 HydrophobicContact CB-CD1 4.34Å; V135-L165 HydrophobicContact CG1-CD1 4.23Å; V135-L165 WeakPolarHBondContact O-CA 3.33Å; V135-Y166 PolarHBondContact O-N 3.01Å; V135-Q210 WeakPolarHBondContact CA-O 3.13Å; V135-Q210 HydrophobicContact CG1-CB 4.35Å; V135-Q210 HydrophobicContact CG1-CG 4.42Å; V135-Q210 HydrophobicContact CG2-CB 4.24Å; V135-I212 HydrophobicContact CG1-CD1 4.01Å
136I97.8Very high86.5Confident0 Ų046.8 Ų46.80%028%0.284CS..EExtended strand (participates in β ladder)trans-113.2127.8-177.2-52.2171.8000108.4I138 Y166 C204 L205 A208 Q210 V211 I212I136-I138 HydrophobicContact CG2-CG1 4.02Å; I136-Y166 CarbonylContact C-O 3.53Å; I136-Y166 WeakPolarHBondContact CA-O 3.45Å; I136-Y166 HydrophobicContact CG1-CD2 4.39Å; I136-C204 HydrophobicContact CD1-CB 3.94Å; I136-C204 WeakPolarHBondContact CD1-O 3.25Å; I136-C204 HydrophobicContact CG1-CB 4.28Å; I136-L205 HydrophobicContact CD1-CD2 4.05Å; I136-A208 HydrophobicContact CD1-CB 3.48Å; I136-A208 VanDerWaalsContact CD1-CB 3.48Å; I136-A208 HydrophobicContact CG1-CB 4.4Å; I136-Q210 PolarHBondContact N-O 2.85Å; I136-V211 HydrophobicContact CB-CG2 4.43Å; I136-V211 HydrophobicContact CD1-CG2 4.26Å; I136-V211 CarbonylContact O-C 3.58Å; I136-V211 WeakPolarHBondContact O-CA 3.24Å; I136-I212 PolarHBondContact O-N 3.28Å
137V97.2Very high87.1Confident0 Ų045.5 Ų45.50%028%0.279CS..EExtended strand (participates in β ladder)trans-115.2116.2174.2-172.10000108.8A140 I145 L149 L165 Y166 L167 N168 I212 L214V137-A140 HydrophobicContact CB-CB 4.15Å; V137-A140 HydrophobicContact CG1-CB 3.84Å; V137-I145 HydrophobicContact CG1-CD1 3.88Å; V137-L149 HydrophobicContact CG2-CD2 4.13Å; V137-L165 HydrophobicContact CG2-CD1 4.01Å; V137-Y166 PolarHBondContact N-O 3.46Å; V137-L167 HydrophobicContact CB-CD2 4.14Å; V137-L167 HydrophobicContact CG2-CD2 4.45Å; V137-N168 PolarHBondContact O-N 2.84Å; V137-I212 WeakPolarHBondContact CA-O 3.37Å; V137-I212 HydrophobicContact CG2-CB 4.43Å; V137-I212 HydrophobicContact CG2-CD1 4.29Å; V137-L214 HydrophobicContact CG1-CD1 3.72Å; V137-L214 HydrophobicContact CG1-CG 4.11Å
138I96.2Very high87.9Confident0 Ų040.2 Ų40.20%025%0.25CS..EExtended strand (participates in β ladder)trans-104127.9-179.7-51.3-177.7000108.5I136 N168 V201 V211 I212 I213 L214 V216 Y246 L250I136-I138 HydrophobicContact CG2-CG1 4.02Å; I138-N168 CarbonylContact C-O 3.56Å; I138-V201 HydrophobicContact CD1-CG1 4.01Å; I138-V201 HydrophobicContact CG1-CG1 4.25Å; I138-V211 HydrophobicContact CD1-CG1 3.9Å; I138-V211 HydrophobicContact CG1-CG1 4.32Å; I138-I212 PolarHBondContact N-O 3.27Å; I138-I213 HydrophobicContact CB-CG1 4.48Å; I138-I213 HydrophobicContact CD1-CG1 4.22Å; I138-L214 PolarHBondContact O-N 3Å; I138-V216 HydrophobicContact CB-CG1 4.31Å; I138-V216 HydrophobicContact CG2-CG1 3.57Å; I138-Y246 VanDerWaalsContact CG2-OH 3.3Å; I138-Y246 WeakPolarHBondContact CG2-OH 3.5Å; I138-L250 HydrophobicContact CD1-CD1 4.15Å; I138-L250 HydrophobicContact CD1-CD2 4.18Å
139G93.3Very high88.9Confident2 Ų234 Ų342%0.02122%0.217CC..THydrogen-bonded Turntrans81.229.3-169.300000112.5A141 G142 N168 D169G139-A141 PolarHBondContact O-N 3.37Å; G139-G142 PolarHBondContact O-N 3.31Å; G139-N168 PolarHBondContact N-O 3.4Å; G139-D169 VanDerWaalsContact CA-OD2 3.25Å; G139-D169 WeakPolarHBondContact CA-OD2 3.47Å
140A93.7Very high90Very high1 Ų130.8 Ų30.81%0.00820%0.2CC..THydrogen-bonded Turntrans-66-18.7-170.500000115.2V137 I145 L167 N168 D169 L177V137-A140 HydrophobicContact CB-CB 4.15Å; V137-A140 HydrophobicContact CG1-CB 3.84Å; A140-I145 HydrophobicContact CB-CD1 4.31Å; A140-L167 HydrophobicContact CB-CB 4.15Å; A140-L167 HydrophobicContact CB-CD2 3.92Å; A140-N168 PolarHBondContact N-O 3.47Å; A140-D169 PolarHBondContact N-OD2 3.06Å; A140-D169 VanDerWaalsContact N-OD2 3.16Å; A140-L177 HydrophobicContact CB-CD2 3.87Å
141A89.2Confident91Very high9 Ų927.2 Ų27.27%0.07418%0.175CC..THydrogen-bonded Turntrans-108.25.7179.300000113.1G139 F143 D169 N173 K176 L177G139-A141 PolarHBondContact O-N 3.37Å; A141-F143 VanDerWaalsContact C-N 3.28Å; A141-F143 PolarHBondContact O-N 3.18Å; A141-D169 WeakPolarHBondContact CA-OD2 3.35Å; A141-D169 HydrophobicContact CB-CB 4.25Å; A141-D169 WeakPolarHBondContact CB-OD2 3.25Å; A141-D169 PolarHBondContact N-OD2 3.08Å; A141-N173 HydrophobicContact CB-CB 3.74Å; A141-K176 HydrophobicContact CB-CB 3.78Å; A141-K176 HydrophobicContact CB-CD 4.23Å; A141-L177 HydrophobicContact CB-CD2 3.62Å; A141-L177 HydrophobicContact CB-CG 4.02Å
142G78.1Confident91.6Very high46 Ų4622 Ų2247%0.47414%0.139SC..SBendtrans-65.8-29176.200000113.4G139 D169G139-G142 PolarHBondContact O-N 3.31Å; G142-D169 PolarHBondContact N-OD2 3.37Å
143F77.8Confident91.9Very high39 Ų3920.2 Ų20.217%0.17113%0.127CC..SBendtrans-158.8169.7176.753.7-85.2000110.5A141 I145 L214 I270 Y405 M409A141-F143 VanDerWaalsContact C-N 3.28Å; A141-F143 PolarHBondContact O-N 3.18Å; F143-I145 HydrophobicContact CD2-CG2 3.38Å; F143-I145 HydrophobicContact CE2-CG2 3.04Å; F143-I145 HydrophobicContact CG-CG2 4.37Å; F143-I145 HydrophobicContact CZ-CG2 3.82Å; F143-I145 PolarHBondContact O-N 2.85Å; F143-L214 HydrophobicContact CE1-CB 3.68Å; F143-L214 HydrophobicContact CE1-CD1 3.96Å; F143-L214 HydrophobicContact CE1-CG 4.27Å; F143-L214 HydrophobicContact CE2-CD1 4.31Å; F143-L214 HydrophobicContact CZ-CB 3.86Å; F143-L214 HydrophobicContact CZ-CD1 3.63Å; F143-L214 HydrophobicContact CZ-CD2 3.9Å; F143-L214 HydrophobicContact CZ-CG 3.98Å; F143-I270 HydrophobicContact CB-CG2 4.5Å; F143-I270 HydrophobicContact CD2-CG2 3.9Å; F143-I270 HydrophobicContact CE2-CG2 4.22Å; F143-I270 HydrophobicContact CG-CG2 4.14Å; F143-Y405 HydrophobicContact CE1-CE1 4.47Å; F143-Y405 AromaticContact CE2-CD1 3.7Å; F143-Y405 HydrophobicContact CE2-CD1 3.7Å; F143-Y405 AromaticContact CE2-CE1 3.39Å; F143-Y405 HydrophobicContact CE2-CE1 3.39Å; F143-Y405 HydrophobicContact CZ-CD1 4.12Å; F143-Y405 AromaticContact CZ-CE1 3.35Å; F143-Y405 HydrophobicContact CZ-CE1 3.35Å; F143-M409 HydrophobicContact CE2-CE 4.44Å
144D81.9Confident91.9Very high108 Ų10823 Ų2358%0.57814%0.141SC*.  trans-69.5120.1175.2-162.9-16000110.1S146D144-S146 VanDerWaalsContact OD1-CB 3.24Å; D144-S146 WeakPolarHBondContact OD1-CB 3.28Å; D144-S146 PolarHBondContact OD1-N 2.92Å; D144-S146 PolarHBondContact OD1-OG 2.78Å
145I88.6Confident91.8Very high2 Ų222.9 Ų22.91%0.0114%0.143CC..  trans-125.720.1177.653.1162.4000111.4V137 A140 F143 D147 F148 L149 L214 E406 M409V137-I145 HydrophobicContact CG1-CD1 3.88Å; A140-I145 HydrophobicContact CB-CD1 4.31Å; F143-I145 HydrophobicContact CD2-CG2 3.38Å; F143-I145 HydrophobicContact CE2-CG2 3.04Å; F143-I145 HydrophobicContact CG-CG2 4.37Å; F143-I145 HydrophobicContact CZ-CG2 3.82Å; F143-I145 PolarHBondContact O-N 2.85Å; I145-D147 PolarHBondContact O-N 2.9Å; I145-F148 HydrophobicContact CB-CB 4.44Å; I145-F148 HydrophobicContact CB-CD1 4.37Å; I145-F148 PolarHBondContact O-N 2.95Å; I145-L149 HydrophobicContact CD1-CD1 3.74Å; I145-L149 HydrophobicContact CD1-CD2 4.24Å; I145-L149 HydrophobicContact CD1-CG 3.91Å; I145-L149 HydrophobicContact CG1-CD1 4.01Å; I145-L149 HydrophobicContact CG1-CG 4.2Å; I145-L149 WeakPolarHBondContact O-CB 3.29Å; I145-L149 WeakPolarHBondContact O-CG 3.19Å; I145-L149 PolarHBondContact O-N 3.06Å; I145-L214 HydrophobicContact CD1-CD1 3.96Å; I145-L214 HydrophobicContact CG2-CD1 3.89Å; I145-E406 VanDerWaalsContact CA-OE2 3.24Å; I145-E406 WeakPolarHBondContact CA-OE2 3.3Å; I145-M409 HydrophobicContact CG2-CE 4.28Å
146S88.9Confident91.5Very high40 Ų4026.8 Ų26.828%0.2816%0.161SC..Hα-helixtrans-61.6-43.2-173.452.30000112D144 L149 A150 E406D144-S146 VanDerWaalsContact OD1-CB 3.24Å; D144-S146 WeakPolarHBondContact OD1-CB 3.28Å; D144-S146 PolarHBondContact OD1-N 2.92Å; D144-S146 PolarHBondContact OD1-OG 2.78Å; S146-L149 PolarHBondContact O-N 3.01Å; S146-A150 VanDerWaalsContact O-CB 3.31Å; S146-A150 WeakPolarHBondContact O-CB 3.45Å; S146-A150 PolarHBondContact O-N 3.1Å; S146-E406 PolarHBondContact N-OE2 3.19Å
147D89.8Confident91.2Very high84 Ų8426.9 Ų26.945%0.44916%0.162SC..Hα-helixtrans-65.9-42.1178-70.3-28.7000111I145 A150 N151 E406I145-D147 PolarHBondContact O-N 2.9Å; D147-A150 PolarHBondContact O-N 3.09Å; D147-N151 PolarHBondContact O-N 3.18Å; D147-N151 PolarHBondContact O-ND2 2.7Å; D147-E406 WeakPolarHBondContact CA-OE2 3.24Å; D147-E406 WeakPolarHBondContact CB-OE2 3.42Å; D147-E406 PolarHBondContact N-OE2 3.37Å
148F94Very high90.8Very high0 Ų027.8 Ų27.80%017%0.166CC..Hα-helixtrans-60.5-46.9175.6168.5-111.2000112.3I145 N151 I152 I212 E406 M409 L413I145-F148 HydrophobicContact CB-CB 4.44Å; I145-F148 HydrophobicContact CB-CD1 4.37Å; I145-F148 PolarHBondContact O-N 2.95Å; F148-N151 PolarHBondContact O-N 3.24Å; F148-I152 HydrophobicContact CD1-CD1 4.2Å; F148-I152 HydrophobicContact CD2-CD1 4.23Å; F148-I152 HydrophobicContact CE1-CD1 3.58Å; F148-I152 HydrophobicContact CE2-CD1 3.59Å; F148-I152 HydrophobicContact CE2-CG1 4.27Å; F148-I152 HydrophobicContact CZ-CD1 3.26Å; F148-I152 HydrophobicContact CZ-CG1 4.38Å; F148-I152 PolarHBondContact O-N 3.45Å; F148-I152 VanDerWaalsContact O-N 3.13Å; F148-I212 HydrophobicContact CE1-CD1 3.98Å; F148-I212 HydrophobicContact CE1-CG2 4.3Å; F148-I212 HydrophobicContact CZ-CD1 3.72Å; F148-I212 HydrophobicContact CZ-CG1 4.44Å; F148-I212 HydrophobicContact CZ-CG2 4.33Å; F148-E406 HydrophobicContact CB-CB 3.87Å; F148-E406 HydrophobicContact CB-CG 3.86Å; F148-E406 PolarHBondContact N-OE2 3.01Å; F148-M409 HydrophobicContact CB-CE 3.96Å; F148-M409 HydrophobicContact CD1-CE 3.83Å; F148-M409 HydrophobicContact CD2-CB 3.62Å; F148-M409 HydrophobicContact CD2-CE 3.92Å; F148-M409 HydrophobicContact CE1-CE 4.24Å; F148-M409 HydrophobicContact CE1-SD 4.34Å; F148-M409 HydrophobicContact CE2-CB 3.4Å; F148-M409 HydrophobicContact CE2-CE 4.33Å; F148-M409 HydrophobicContact CE2-CG 4.44Å; F148-M409 HydrophobicContact CE2-SD 4.36Å; F148-M409 HydrophobicContact CG-CB 4.48Å; F148-M409 HydrophobicContact CG-CE 3.63Å; F148-M409 HydrophobicContact CZ-CB 4.09Å; F148-M409 HydrophobicContact CZ-CE 4.44Å; F148-M409 HydrophobicContact CZ-SD 4.22Å; F148-L413 HydrophobicContact CE2-CD1 3.57Å; F148-L413 HydrophobicContact CE2-CG 4.49Å; F148-L413 HydrophobicContact CZ-CD1 3.75Å
149L96Very high90.5Very high0 Ų029.2 Ų29.20%018%0.18CC..Hα-helixtrans-65.9-40.9177.5-69.5-178.8000111.1V137 I145 S146 N151 I152 L153 L165 L180 L184V137-L149 HydrophobicContact CG2-CD2 4.13Å; I145-L149 HydrophobicContact CD1-CD1 3.74Å; I145-L149 HydrophobicContact CD1-CD2 4.24Å; I145-L149 HydrophobicContact CD1-CG 3.91Å; I145-L149 HydrophobicContact CG1-CD1 4.01Å; I145-L149 HydrophobicContact CG1-CG 4.2Å; I145-L149 WeakPolarHBondContact O-CB 3.29Å; I145-L149 WeakPolarHBondContact O-CG 3.19Å; I145-L149 PolarHBondContact O-N 3.06Å; S146-L149 PolarHBondContact O-N 3.01Å; L149-N151 VanDerWaalsContact C-N 3.32Å; L149-N151 PolarHBondContact O-N 2.79Å; L149-I152 PolarHBondContact O-N 3.27Å; L149-L153 HydrophobicContact CB-CD1 4.48Å; L149-L153 WeakPolarHBondContact O-CB 3.48Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 3.01Å; L149-L165 HydrophobicContact CD1-CD2 4.41Å; L149-L165 HydrophobicContact CD2-CD1 4.3Å; L149-L165 HydrophobicContact CD2-CD2 4.3Å; L149-L180 HydrophobicContact CD1-CD1 4.31Å; L149-L180 HydrophobicContact CD1-CD2 4.13Å; L149-L184 HydrophobicContact CB-CD2 4.14Å; L149-L184 HydrophobicContact CD1-CD1 3.91Å; L149-L184 HydrophobicContact CD1-CD2 4.36Å
150A95.1Very high90.3Very high24 Ų2435.6 Ų35.620%0.19821%0.214CC..Hα-helixtrans-58.5-43.8174.600000111.4S146 D147 I152 L153 N154 L189S146-A150 VanDerWaalsContact O-CB 3.31Å; S146-A150 WeakPolarHBondContact O-CB 3.45Å; S146-A150 PolarHBondContact O-N 3.1Å; D147-A150 PolarHBondContact O-N 3.09Å; A150-I152 VanDerWaalsContact C-N 3.35Å; A150-I152 PolarHBondContact O-N 3.35Å; A150-L153 PolarHBondContact O-N 3.22Å; A150-N154 VanDerWaalsContact O-CB 3.27Å; A150-N154 WeakPolarHBondContact O-CB 3.4Å; A150-N154 PolarHBondContact O-N 2.82Å; A150-N154 PolarHBondContact O-ND2 3.43Å; A150-L189 HydrophobicContact CB-CD2 4.37Å
151N94.2Very high90.1Very high35 Ų3539.4 Ų39.419%0.18723%0.231CC..Hα-helixtrans-62.1-41.3177.2-68.1-20.9000112.2D147 F148 L149 E156 T410D147-N151 PolarHBondContact O-N 3.18Å; D147-N151 PolarHBondContact O-ND2 2.7Å; F148-N151 PolarHBondContact O-N 3.24Å; L149-N151 VanDerWaalsContact C-N 3.32Å; L149-N151 PolarHBondContact O-N 2.79Å; N151-E156 VanDerWaalsContact O-CB 3.27Å; N151-E156 WeakPolarHBondContact O-CB 3.31Å; N151-E156 WeakPolarHBondContact O-CG 3.4Å; N151-E156 PolarHBondContact O-N 3.1Å; N151-T410 HydrophobicContact CB-CG2 3.94Å; N151-T410 PolarHBondContact ND2-OG1 3.44Å
152I94.8Very high90.4Very high0 Ų042.6 Ų42.60%025%0.246CC..Hα-helixtrans-63-48.7175.1-74.9173.2000110.8F148 L149 A150 G155 V157 F158 I163 I212 L413F148-I152 HydrophobicContact CD1-CD1 4.2Å; F148-I152 HydrophobicContact CD2-CD1 4.23Å; F148-I152 HydrophobicContact CE1-CD1 3.58Å; F148-I152 HydrophobicContact CE2-CD1 3.59Å; F148-I152 HydrophobicContact CE2-CG1 4.27Å; F148-I152 HydrophobicContact CZ-CD1 3.26Å; F148-I152 HydrophobicContact CZ-CG1 4.38Å; F148-I152 PolarHBondContact O-N 3.45Å; F148-I152 VanDerWaalsContact O-N 3.13Å; L149-I152 PolarHBondContact O-N 3.27Å; A150-I152 VanDerWaalsContact C-N 3.35Å; A150-I152 PolarHBondContact O-N 3.35Å; I152-G155 PolarHBondContact O-N 3.28Å; I152-G155 VanDerWaalsContact O-N 3.1Å; I152-V157 HydrophobicContact CG1-CB 4.22Å; I152-V157 HydrophobicContact CG1-CG2 3.86Å; I152-F158 HydrophobicContact CG1-CE2 4.41Å; I152-F158 HydrophobicContact CG2-CD2 3.87Å; I152-F158 HydrophobicContact CG2-CE2 3.75Å; I152-I163 HydrophobicContact CG2-CD1 3.5Å; I152-I163 VanDerWaalsContact CG2-CD1 3.5Å; I152-I212 HydrophobicContact CD1-CD1 4.05Å; I152-L413 HydrophobicContact CD1-CD1 3.83Å; I152-L413 HydrophobicContact CG1-CD1 4.2Å
153L96.5Very high91.2Very high1 Ų140.4 Ų40.41%0.00522%0.223CC..Hα-helixtrans-82.2-10.4-172.2-62.4170.9000113.8L149 A150 G155 I163 L165 L184 L189 K191 L192L149-L153 HydrophobicContact CB-CD1 4.48Å; L149-L153 WeakPolarHBondContact O-CB 3.48Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 3.01Å; A150-L153 PolarHBondContact O-N 3.22Å; L153-G155 VanDerWaalsContact C-N 3.29Å; L153-I163 HydrophobicContact CD2-CB 3.91Å; L153-I163 HydrophobicContact CD2-CD1 4.09Å; L153-I163 HydrophobicContact CD2-CG2 3.84Å; L153-L165 HydrophobicContact CD1-CD2 4.22Å; L153-L184 HydrophobicContact CD1-CD2 3.89Å; L153-L189 HydrophobicContact CB-CB 3.77Å; L153-L189 HydrophobicContact CB-CD1 3.8Å; L153-L189 HydrophobicContact CB-CG 4.26Å; L153-L189 HydrophobicContact CD1-CD1 3.54Å; L153-L189 HydrophobicContact CG-CD1 4.33Å; L153-K191 WeakPolarHBondContact O-CA 3.35Å; L153-K191 WeakPolarHBondContact O-CB 3.45Å; L153-K191 WeakPolarHBondContact O-CG 3.44Å; L153-K191 PolarHBondContact O-N 3.42Å; L153-L192 HydrophobicContact CD1-CB 4.45Å; L153-L192 HydrophobicContact CD1-CD1 4.17Å; L153-L192 HydrophobicContact CD1-CD2 4.42Å; L153-L192 HydrophobicContact CD2-CB 4.06Å; L153-L192 HydrophobicContact CD2-CD1 3.78Å; L153-L192 HydrophobicContact CD2-CG 4.5Å
154N94.8Very high92.1Very high76 Ų7640.5 Ų40.541%0.40622%0.224SC..THydrogen-bonded Turntrans-84-5.4164.4-79.4-47.3000112.8A150 P190A150-N154 VanDerWaalsContact O-CB 3.27Å; A150-N154 WeakPolarHBondContact O-CB 3.4Å; A150-N154 PolarHBondContact O-N 2.82Å; A150-N154 PolarHBondContact O-ND2 3.43Å; N154-P190 VanDerWaalsContact OD1-CD 3.24Å; N154-P190 WeakPolarHBondContact OD1-CD 3.47Å
155G92.1Very high92.9Very high13 Ų1335.4 Ų35.413%0.13420%0.197CC..THydrogen-bonded Turntrans86.711.2179.100000114.4I152 L153 V157 G159I152-G155 PolarHBondContact O-N 3.28Å; I152-G155 VanDerWaalsContact O-N 3.1Å; L153-G155 VanDerWaalsContact C-N 3.29Å; G155-V157 PolarHBondContact O-N 2.93Å; G155-G159 WeakPolarHBondContact CA-O 3.26Å; G155-G159 WeakPolarHBondContact O-CA 3.46Å; G155-G159 PolarHBondContact O-N 2.76Å
156E91.2Very high93.3Very high83 Ų8337 Ų3739%0.38820%0.203SC..THydrogen-bonded Turntrans-66.4-27.7179.7-58.4-163.117600112.9N151 K414N151-E156 VanDerWaalsContact O-CB 3.27Å; N151-E156 WeakPolarHBondContact O-CB 3.31Å; N151-E156 WeakPolarHBondContact O-CG 3.4Å; N151-E156 PolarHBondContact O-N 3.1Å; E156-K414 WeakPolarHBondContact O-CE 3.4Å; E156-K414 IonicContact OE2-NZ 3.04Å; E156-K414 PolarHBondContact OE2-NZ 2.88Å
157V91.1Very high93.7Very high2 Ų235.1 Ų35.11%0.01219%0.19CC..THydrogen-bonded Turntrans-98.3-50-176.4179.60000111.7I152 G155 T410 L413 K414I152-V157 HydrophobicContact CG1-CB 4.22Å; I152-V157 HydrophobicContact CG1-CG2 3.86Å; G155-V157 PolarHBondContact O-N 2.93Å; V157-T410 HydrophobicContact CG2-CG2 3.96Å; V157-L413 HydrophobicContact CG1-CB 3.38Å; V157-L413 HydrophobicContact CG1-CD1 3.85Å; V157-L413 HydrophobicContact CG1-CG 4.23Å; V157-L413 HydrophobicContact CG2-CB 4.36Å; V157-L413 HydrophobicContact CG2-CD1 4.32Å; V157-K414 HydrophobicContact CG2-CG 4.39Å
158F90.5Very high93.9Very high19 Ų1931.7 Ų31.78%0.08317%0.171CC..THydrogen-bonded Turntrans-1058.7-174.1-56.2-59.4000113.6V135 I152 E161 I163 Q210V135-F158 HydrophobicContact CG2-CD2 4.42Å; V135-F158 HydrophobicContact CG2-CE2 3.9Å; I152-F158 HydrophobicContact CG1-CE2 4.41Å; I152-F158 HydrophobicContact CG2-CD2 3.87Å; I152-F158 HydrophobicContact CG2-CE2 3.75Å; F158-E161 HydrophobicContact CB-CB 4.44Å; F158-E161 WeakPolarHBondContact O-CG 3.28Å; F158-I163 HydrophobicContact CD2-CD1 3.76Å; F158-Q210 HydrophobicContact CZ-CB 4.2Å; F158-Q210 HydrophobicContact CZ-CG 4Å
159G88.9Confident93.9Very high29 Ų2932.9 Ų32.930%0.29918%0.178SC..THydrogen-bonded Turntrans67-132.3179.300000112.4G155 E161G155-G159 WeakPolarHBondContact CA-O 3.26Å; G155-G159 WeakPolarHBondContact O-CA 3.46Å; G155-G159 PolarHBondContact O-N 2.76Å; G159-E161 VanDerWaalsContact C-N 3.28Å; G159-E161 PolarHBondContact O-N 2.79Å
160D88.7Confident93.7Very high137 Ų13736.8 Ų36.873%0.73320%0.196SC*.THydrogen-bonded Turntrans-83.71.8-174.6-78.3-38.7000115.3M162 K191D160-M162 PolarHBondContact O-N 3.39Å; D160-K191 IonicContact OD1-NZ 3.33Å; D160-K191 PolarHBondContact OD1-NZ 3.05Å
161E90.3Very high93.5Very high80 Ų8041.4 Ų41.437%0.37422%0.221SC..  trans-66.6130.6-178.1-63.2-170.5-135.800112.4S133 F158 G159 K209S133-E161 PolarHBondContact OG-OE2 2.86Å; F158-E161 HydrophobicContact CB-CB 4.44Å; F158-E161 WeakPolarHBondContact O-CG 3.28Å; G159-E161 VanDerWaalsContact C-N 3.28Å; G159-E161 PolarHBondContact O-N 2.79Å; E161-K209 IonicContact OE1-NZ 3.6Å; E161-K209 PolarHBondContact OE1-NZ 3.47Å; E161-K209 IonicContact OE2-NZ 2.96Å; E161-K209 PolarHBondContact OE2-NZ 3.35Å
162M94.8Very high93.3Very high76 Ų7647 Ų4737%0.37424%0.244SC..  trans-69.1143.6168.4-65.5-57.9-65.500110.1P132 S133 D160 K191P132-M162 CarbonylContact C-O 3.55Å; P132-M162 VanDerWaalsContact CA-O 3.29Å; P132-M162 WeakPolarHBondContact CA-O 3.38Å; P132-M162 HydrophobicContact CB-CB 4.09Å; S133-M162 PolarHBondContact N-O 2.98Å; D160-M162 PolarHBondContact O-N 3.39Å; M162-K191 CarbonylContact C-O 3.59Å; M162-K191 WeakPolarHBondContact CA-O 3.24Å
163I96Very high93.2Very high0 Ų048 Ų480%025%0.249CC..EExtended strand (participates in β ladder)trans-121127.7-172.5-63.8171000109.8S133 V135 I152 L153 F158 L165 K191 S193S133-I163 WeakPolarHBondContact O-CA 3.27Å; V135-I163 HydrophobicContact CB-CG2 3.88Å; V135-I163 HydrophobicContact CG2-CG1 4.47Å; V135-I163 HydrophobicContact CG2-CG2 3.65Å; I152-I163 HydrophobicContact CG2-CD1 3.5Å; I152-I163 VanDerWaalsContact CG2-CD1 3.5Å; L153-I163 HydrophobicContact CD2-CB 3.91Å; L153-I163 HydrophobicContact CD2-CD1 4.09Å; L153-I163 HydrophobicContact CD2-CG2 3.84Å; F158-I163 HydrophobicContact CD2-CD1 3.76Å; I163-L165 HydrophobicContact CG2-CB 4.4Å; I163-K191 PolarHBondContact N-O 3.35Å; I163-S193 VanDerWaalsContact O-CB 3.29Å; I163-S193 WeakPolarHBondContact O-CB 3.41Å; I163-S193 PolarHBondContact O-N 2.85Å
164E96.3Very high93Very high42 Ų4250.8 Ų50.820%0.19626%0.261CS..EExtended strand (participates in β ladder)trans-99.8108.3165.5-167.8160.7-146.100107.7P132 S133 N134 V135 Y166 H196P132-E164 HydrophobicContact CB-CB 4.05Å; P132-E164 HydrophobicContact CG-CB 4.05Å; S133-E164 PolarHBondContact O-N 3.03Å; N134-E164 WeakPolarHBondContact CA-O 3.13Å; V135-E164 PolarHBondContact N-O 2.71Å; E164-Y166 HydrophobicContact CB-CE2 4.22Å; E164-Y166 HydrophobicContact CG-CE2 3.71Å; E164-H196 WeakPolarHBondContact CG-NE2 3.46Å; E164-H196 IonicContact OE1-CD2 3.65Å; E164-H196 IonicContact OE1-CE1 3.3Å; E164-H196 IonicContact OE1-NE2 2.78Å; E164-H196 PolarHBondContact OE1-NE2 2.65Å
165L97.7Very high93Very high0 Ų052.7 Ų52.70%027%0.272CS..EExtended strand (participates in β ladder)trans-93.8125.6-170.7-178.363.8000110.1V135 V137 L149 L153 I163 L167 L184 L192 R194 V195 H196V135-L165 HydrophobicContact CB-CD1 4.34Å; V135-L165 HydrophobicContact CG1-CD1 4.23Å; V135-L165 WeakPolarHBondContact O-CA 3.33Å; V137-L165 HydrophobicContact CG2-CD1 4.01Å; L149-L165 HydrophobicContact CD1-CD2 4.41Å; L149-L165 HydrophobicContact CD2-CD1 4.3Å; L149-L165 HydrophobicContact CD2-CD2 4.3Å; L153-L165 HydrophobicContact CD1-CD2 4.22Å; I163-L165 HydrophobicContact CG2-CB 4.4Å; L165-L167 HydrophobicContact CD1-CD2 4.1Å; L165-L167 HydrophobicContact CD2-CD2 3.93Å; L165-L167 HydrophobicContact CD2-CG 4.42Å; L165-L167 HydrophobicContact CG-CD2 3.84Å; L165-L167 HydrophobicContact CG-CG 4.27Å; L165-L184 HydrophobicContact CD2-CD1 3.85Å; L165-L192 HydrophobicContact CB-CD1 4.21Å; L165-R194 PolarHBondContact N-O 3.37Å; L165-V195 HydrophobicContact CD2-CG2 4.43Å; L165-V195 CarbonylContact O-C 3.59Å; L165-V195 WeakPolarHBondContact O-CA 3.33Å; L165-H196 PolarHBondContact O-N 3.16Å
166Y97.5Very high93Very high36 Ų3657.3 Ų57.314%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-112.3122.6174.2-65.2-97.3000109.5N134 V135 I136 V137 E164 H196 C204N134-Y166 HydrophobicContact CB-CD2 4.33Å; N134-Y166 HydrophobicContact CB-CE2 3.94Å; N134-Y166 VanDerWaalsContact ND2-CE2 3.35Å; N134-Y166 WeakPolarHBondContact ND2-CE2 3.47Å; N134-Y166 PolarHBondContact ND2-OH 2.82Å; V135-Y166 PolarHBondContact O-N 3.01Å; I136-Y166 CarbonylContact C-O 3.53Å; I136-Y166 WeakPolarHBondContact CA-O 3.45Å; I136-Y166 HydrophobicContact CG1-CD2 4.39Å; V137-Y166 PolarHBondContact N-O 3.46Å; E164-Y166 HydrophobicContact CB-CE2 4.22Å; E164-Y166 HydrophobicContact CG-CE2 3.71Å; Y166-H196 WeakPolarHBondContact CA-O 3.49Å; Y166-H196 HydrophobicContact CD1-CB 3.54Å; Y166-H196 HydrophobicContact CE1-CB 3.75Å; Y166-H196 AromaticContact CE1-CD2 3.72Å; Y166-H196 AromaticContact CE1-CG 3.76Å; Y166-H196 HydrophobicContact CG-CB 4.24Å; Y166-H196 AromaticContact CZ-CD2 3.75Å; Y166-C204 HydrophobicContact CD1-CB 3.39Å; Y166-C204 HydrophobicContact CD2-CB 4.26Å; Y166-C204 HydrophobicContact CE1-CB 3.88Å; Y166-C204 HydrophobicContact CG-CB 3.6Å
167L96.9Very high93.2Very high0 Ų053.6 Ų53.60%027%0.271CS..EExtended strand (participates in β ladder)trans-106.9126.2178.1-55.1178.7000109V137 A140 L165 L177 L180 L184 V195 H196 I197 S198V137-L167 HydrophobicContact CB-CD2 4.14Å; V137-L167 HydrophobicContact CG2-CD2 4.45Å; A140-L167 HydrophobicContact CB-CB 4.15Å; A140-L167 HydrophobicContact CB-CD2 3.92Å; L165-L167 HydrophobicContact CD1-CD2 4.1Å; L165-L167 HydrophobicContact CD2-CD2 3.93Å; L165-L167 HydrophobicContact CD2-CG 4.42Å; L165-L167 HydrophobicContact CG-CD2 3.84Å; L165-L167 HydrophobicContact CG-CG 4.27Å; L167-L177 HydrophobicContact CB-CD2 4.12Å; L167-L180 HydrophobicContact CD1-CD2 3.94Å; L167-L180 HydrophobicContact CD1-CG 4.14Å; L167-L184 HydrophobicContact CD1-CD1 4.3Å; L167-V195 HydrophobicContact CD1-CG1 3.73Å; L167-V195 HydrophobicContact CG-CG1 4.13Å; L167-H196 PolarHBondContact N-O 3.23Å; L167-I197 WeakPolarHBondContact O-CA 3.47Å; L167-S198 PolarHBondContact O-N 3.26Å
168N95.5Very high93.4Very high13 Ų1356.7 Ų56.77%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-129.6141175.5174.7-100.9000110.3V137 I138 G139 A140 S198 D199 V201V137-N168 PolarHBondContact O-N 2.84Å; I138-N168 CarbonylContact C-O 3.56Å; G139-N168 PolarHBondContact N-O 3.4Å; A140-N168 PolarHBondContact N-O 3.47Å; N168-S198 PolarHBondContact ND2-O 3.07Å; N168-D199 PolarHBondContact ND2-O 2.89Å; N168-V201 HydrophobicContact CB-CG1 3.83Å; N168-V201 VanDerWaalsContact OD1-CG1 3.23Å; N168-V201 WeakPolarHBondContact OD1-CG1 3.29Å
169D94Very high93.6Very high25 Ų2561.4 Ų61.413%0.13431%0.306CS..  trans-157.2-179.9172.8-148.1-62000109.5G139 A140 A141 G142 N173 L177G139-D169 VanDerWaalsContact CA-OD2 3.25Å; G139-D169 WeakPolarHBondContact CA-OD2 3.47Å; A140-D169 PolarHBondContact N-OD2 3.06Å; A140-D169 VanDerWaalsContact N-OD2 3.16Å; A141-D169 WeakPolarHBondContact CA-OD2 3.35Å; A141-D169 HydrophobicContact CB-CB 4.25Å; A141-D169 WeakPolarHBondContact CB-OD2 3.25Å; A141-D169 PolarHBondContact N-OD2 3.08Å; G142-D169 PolarHBondContact N-OD2 3.37Å; D169-N173 HydrophobicContact CB-CB 4.12Å; D169-N173 PolarHBondContact OD1-ND2 2.82Å; D169-L177 HydrophobicContact CB-CD1 3.81Å; D169-L177 HydrophobicContact CB-CD2 4.2Å; D169-L177 HydrophobicContact CB-CG 4.25Å
170E91.3Very high93.9Very high82 Ų8261.3 Ų61.338%0.38330%0.299SS..  trans-62.3150.2171.2-64.7-170.7166.400112K172 N173E170-K172 HydrophobicContact CB-CG 4.18Å; E170-K172 PolarHBondContact O-N 3.46Å; E170-K172 WeakPolarHBondContact OE2-CD 3.31Å; E170-K172 WeakPolarHBondContact OE2-CE 3.2Å; E170-K172 IonicContact OE2-NZ 2.92Å; E170-K172 PolarHBondContact OE2-NZ 2.69Å; E170-N173 WeakPolarHBondContact O-CB 3.49Å; E170-N173 PolarHBondContact O-N 2.76Å
171V90.6Very high94.2Very high120 Ų12058.2 Ų58.273%0.72728%0.277SS*.G310 helixtrans-53.4-34.8-178.5-179.40000112.5N173 K174V171-N173 PolarHBondContact O-N 2.76Å; V171-K174 VanDerWaalsContact O-CB 3.26Å; V171-K174 WeakPolarHBondContact O-CB 3.38Å; V171-K174 PolarHBondContact O-N 3.2Å
172K90.4Very high94.5Very high152 Ų15259.3 Ų59.366%0.66128%0.282SS*.G310 helixtrans-63.7-24178.574.7-169.2-170.5-152.70113.5E170E170-K172 HydrophobicContact CB-CG 4.18Å; E170-K172 PolarHBondContact O-N 3.46Å; E170-K172 WeakPolarHBondContact OE2-CD 3.31Å; E170-K172 WeakPolarHBondContact OE2-CE 3.2Å; E170-K172 IonicContact OE2-NZ 2.92Å; E170-K172 PolarHBondContact OE2-NZ 2.69Å
173N91.3Very high94.5Very high21 Ų2159.7 Ų59.711%0.11229%0.288CS..G310 helixtrans-96.35.5-178.7-71.1-32.8000112.9A141 D169 E170 V171 N175 K176 L177A141-N173 HydrophobicContact CB-CB 3.74Å; D169-N173 HydrophobicContact CB-CB 4.12Å; D169-N173 PolarHBondContact OD1-ND2 2.82Å; E170-N173 WeakPolarHBondContact O-CB 3.49Å; E170-N173 PolarHBondContact O-N 2.76Å; V171-N173 PolarHBondContact O-N 2.76Å; N173-N175 VanDerWaalsContact C-N 3.3Å; N173-N175 PolarHBondContact O-N 3.24Å; N173-K176 WeakPolarHBondContact O-CB 3.24Å; N173-K176 PolarHBondContact O-N 2.86Å; N173-L177 PolarHBondContact O-N 3.05Å
174K92.5Very high94.5Very high60 Ų6060 Ų6026%0.26129%0.29SS..Hα-helixtrans-58.6-37-174.2-168.9167.2-174.9153.60113.9V171 L177 F178 D199V171-K174 VanDerWaalsContact O-CB 3.26Å; V171-K174 WeakPolarHBondContact O-CB 3.38Å; V171-K174 PolarHBondContact O-N 3.2Å; K174-L177 WeakPolarHBondContact O-CB 3.44Å; K174-L177 PolarHBondContact O-N 2.98Å; K174-F178 HydrophobicContact CD-CE2 4.19Å; K174-F178 HydrophobicContact CD-CZ 4.48Å; K174-F178 HydrophobicContact CG-CD2 4.21Å; K174-F178 HydrophobicContact CG-CE2 3.63Å; K174-F178 HydrophobicContact CG-CZ 4.15Å; K174-F178 VanDerWaalsContact O-CD2 3.25Å; K174-F178 WeakPolarHBondContact O-CD2 3.46Å; K174-F178 PolarHBondContact O-N 3.39Å; K174-F178 VanDerWaalsContact O-N 3.09Å; K174-D199 IonicContact NZ-OD1 3.93Å; K174-D199 PolarHBondContact NZ-OD1 3.23Å; K174-D199 IonicContact NZ-OD2 2.65Å; K174-D199 PolarHBondContact NZ-OD2 3.24Å
175N94.6Very high94.4Very high117 Ų11762.9 Ų62.963%0.62630%0.304SS*.Hα-helixtrans-63.2-42.3176.1-68.6-9.1000112.1N173 L177 F178 E179N173-N175 VanDerWaalsContact C-N 3.3Å; N173-N175 PolarHBondContact O-N 3.24Å; N175-L177 VanDerWaalsContact C-N 3.26Å; N175-L177 PolarHBondContact O-N 3.07Å; N175-F178 WeakPolarHBondContact O-CB 3.33Å; N175-F178 PolarHBondContact O-N 2.94Å; N175-F178 VanDerWaalsContact O-N 3.1Å; N175-E179 PolarHBondContact O-N 2.8Å
176K93.7Very high94.4Very high110 Ų11070.4 Ų70.448%0.47834%0.339SS..Hα-helixtrans-62.4-35.1175.7-62.8178.4176.5177.20112A141 N173 L180A141-K176 HydrophobicContact CB-CB 3.78Å; A141-K176 HydrophobicContact CB-CD 4.23Å; N173-K176 WeakPolarHBondContact O-CB 3.24Å; N173-K176 PolarHBondContact O-N 2.86Å; K176-L180 VanDerWaalsContact O-CB 3.31Å; K176-L180 WeakPolarHBondContact O-CB 3.2Å; K176-L180 PolarHBondContact O-N 3.37Å
177L94.8Very high94.3Very high4 Ų471.2 Ų71.22%0.02135%0.353CS..Hα-helixtrans-67.3-37.1174.7-63.7179.3000112.2A140 A141 L167 D169 N173 K174 N175 R181 I197A140-L177 HydrophobicContact CB-CD2 3.87Å; A141-L177 HydrophobicContact CB-CD2 3.62Å; A141-L177 HydrophobicContact CB-CG 4.02Å; L167-L177 HydrophobicContact CB-CD2 4.12Å; D169-L177 HydrophobicContact CB-CD1 3.81Å; D169-L177 HydrophobicContact CB-CD2 4.2Å; D169-L177 HydrophobicContact CB-CG 4.25Å; N173-L177 PolarHBondContact O-N 3.05Å; K174-L177 WeakPolarHBondContact O-CB 3.44Å; K174-L177 PolarHBondContact O-N 2.98Å; N175-L177 VanDerWaalsContact C-N 3.26Å; N175-L177 PolarHBondContact O-N 3.07Å; L177-R181 WeakPolarHBondContact O-CB 3.47Å; L177-R181 PolarHBondContact O-N 3.13Å; L177-I197 HydrophobicContact CB-CD1 4.03Å; L177-I197 HydrophobicContact CB-CG1 4.2Å; L177-I197 HydrophobicContact CB-CG2 4.28Å; L177-I197 HydrophobicContact CD1-CG2 3.97Å
178F95.8Very high94.1Very high68 Ų6875.3 Ų75.330%0.29839%0.387SS..Hα-helixtrans-64.8-46.3174.3-71.4-53.9000111.5K174 N175 R181 E182 I197K174-F178 HydrophobicContact CD-CE2 4.19Å; K174-F178 HydrophobicContact CD-CZ 4.48Å; K174-F178 HydrophobicContact CG-CD2 4.21Å; K174-F178 HydrophobicContact CG-CE2 3.63Å; K174-F178 HydrophobicContact CG-CZ 4.15Å; K174-F178 VanDerWaalsContact O-CD2 3.25Å; K174-F178 WeakPolarHBondContact O-CD2 3.46Å; K174-F178 PolarHBondContact O-N 3.39Å; K174-F178 VanDerWaalsContact O-N 3.09Å; N175-F178 WeakPolarHBondContact O-CB 3.33Å; N175-F178 PolarHBondContact O-N 2.94Å; N175-F178 VanDerWaalsContact O-N 3.1Å; F178-R181 WeakPolarHBondContact O-CB 3.47Å; F178-R181 PolarHBondContact O-N 3.28Å; F178-E182 WeakPolarHBondContact O-CG 3.36Å; F178-E182 PolarHBondContact O-N 3.23Å; F178-I197 HydrophobicContact CD1-CD1 3.2Å; F178-I197 HydrophobicContact CE1-CD1 3.51Å; F178-I197 HydrophobicContact CG-CD1 3.98Å
179E94.7Very high94.2Very high117 Ų11775.6 Ų75.655%0.54739%0.388SS..Hα-helixtrans-59.4-47.3175.2-69169.6-159.100111.3N175 R181 E182 V183N175-E179 PolarHBondContact O-N 2.8Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.3Å; E179-E182 PolarHBondContact O-N 3.35Å; E179-V183 WeakPolarHBondContact O-CG2 3.5Å; E179-V183 PolarHBondContact O-N 2.94Å
180L94.9Very high94.2Very high27 Ų2778 Ų7814%0.14141%0.405CS..Hα-helixtrans-60.1-40.8177.117958.3000111.8L149 L167 K176 L184L149-L180 HydrophobicContact CD1-CD1 4.31Å; L149-L180 HydrophobicContact CD1-CD2 4.13Å; L167-L180 HydrophobicContact CD1-CD2 3.94Å; L167-L180 HydrophobicContact CD1-CG 4.14Å; K176-L180 VanDerWaalsContact O-CB 3.31Å; K176-L180 WeakPolarHBondContact O-CB 3.2Å; K176-L180 PolarHBondContact O-N 3.37Å; L180-L184 HydrophobicContact CD1-CD1 4.07Å; L180-L184 HydrophobicContact CD1-CG 4.17Å; L180-L184 HydrophobicContact CG-CD1 3.95Å; L180-L184 HydrophobicContact CG-CG 4.5Å; L180-L184 WeakPolarHBondContact O-CB 3.08Å; L180-L184 WeakPolarHBondContact O-CD1 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.16Å; L180-L184 PolarHBondContact O-N 3.46Å
181R95.5Very high94.5Very high72 Ų7275.8 Ų75.827%0.27239%0.394SS..Hα-helixtrans-61.9-49.1175.8174179.370.4-179.74.3111.7L177 F178 E179 V183 L184 E185 V195 I197L177-R181 WeakPolarHBondContact O-CB 3.47Å; L177-R181 PolarHBondContact O-N 3.13Å; F178-R181 WeakPolarHBondContact O-CB 3.47Å; F178-R181 PolarHBondContact O-N 3.28Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.3Å; R181-V183 VanDerWaalsContact C-N 3.31Å; R181-V183 PolarHBondContact O-N 2.63Å; R181-L184 PolarHBondContact O-N 3.32Å; R181-E185 HydrophobicContact CG-CG 4.32Å; R181-E185 WeakPolarHBondContact O-CG 3.43Å; R181-E185 PolarHBondContact O-N 2.78Å; R181-V195 HydrophobicContact CB-CG1 3.98Å; R181-V195 HydrophobicContact CG-CB 3.86Å; R181-V195 HydrophobicContact CG-CG1 3.78Å; R181-I197 HydrophobicContact CB-CD1 4.26Å
182E95.8Very high94.7Very high103 Ų10371.4 Ų71.448%0.48137%0.367SS..Hα-helixtrans-57.7-46.8-179.3-73.2174.6-179.100110.5F178 E179 L184 E185 E186F178-E182 WeakPolarHBondContact O-CG 3.36Å; F178-E182 PolarHBondContact O-N 3.23Å; E179-E182 PolarHBondContact O-N 3.35Å; E182-L184 PolarHBondContact O-N 3.42Å; E182-E185 PolarHBondContact O-N 3.33Å; E182-E186 WeakPolarHBondContact O-CB 3.27Å; E182-E186 WeakPolarHBondContact O-CG 3.1Å; E182-E186 PolarHBondContact O-N 2.91Å
183V95.4Very high94.9Very high84 Ų8467.3 Ų67.351%0.50936%0.357SS..Hα-helixtrans-61.3-421771740000112.1E179 R181 E186 A187E179-V183 WeakPolarHBondContact O-CG2 3.5Å; E179-V183 PolarHBondContact O-N 2.94Å; R181-V183 VanDerWaalsContact C-N 3.31Å; R181-V183 PolarHBondContact O-N 2.63Å; V183-E186 PolarHBondContact O-N 2.57Å; V183-A187 VanDerWaalsContact O-CB 3.28Å; V183-A187 WeakPolarHBondContact O-CB 3.49Å; V183-A187 PolarHBondContact O-N 3.28Å
184L95.7Very high95.1Very high7 Ų773.7 Ų73.74%0.03738%0.379CS..Hα-helixtrans-66.9-36.3178.6-72.2168.3000112.8L149 L153 L165 L167 L180 R181 E182 L189 L192 V195L149-L184 HydrophobicContact CB-CD2 4.14Å; L149-L184 HydrophobicContact CD1-CD1 3.91Å; L149-L184 HydrophobicContact CD1-CD2 4.36Å; L153-L184 HydrophobicContact CD1-CD2 3.89Å; L165-L184 HydrophobicContact CD2-CD1 3.85Å; L167-L184 HydrophobicContact CD1-CD1 4.3Å; L180-L184 HydrophobicContact CD1-CD1 4.07Å; L180-L184 HydrophobicContact CD1-CG 4.17Å; L180-L184 HydrophobicContact CG-CD1 3.95Å; L180-L184 HydrophobicContact CG-CG 4.5Å; L180-L184 WeakPolarHBondContact O-CB 3.08Å; L180-L184 WeakPolarHBondContact O-CD1 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.16Å; L180-L184 PolarHBondContact O-N 3.46Å; R181-L184 PolarHBondContact O-N 3.32Å; E182-L184 PolarHBondContact O-N 3.42Å; L184-L189 HydrophobicContact CD2-CD1 3.9Å; L184-L192 HydrophobicContact CB-CD2 4.3Å; L184-L192 WeakPolarHBondContact O-CD2 3.39Å; L184-V195 HydrophobicContact CB-CG2 4.15Å; L184-V195 HydrophobicContact CD1-CG2 4.37Å
185E94.5Very high95.3Very high102 Ų10271 Ų7148%0.47737%0.368SS..Hα-helixtrans-69.9-40.2175.8-71.6175.4170.300111.1R181 E182 A188R181-E185 HydrophobicContact CG-CG 4.32Å; R181-E185 WeakPolarHBondContact O-CG 3.43Å; R181-E185 PolarHBondContact O-N 2.78Å; E182-E185 PolarHBondContact O-N 3.33Å; E185-A188 PolarHBondContact O-N 2.96Å
186E96.1Very high95.4Very high159 Ų15967.5 Ų67.574%0.74335%0.348SS*.Hα-helixtrans-68.6-31.8175.2-72.8179.1-177.500113.2E182 V183 A188E182-E186 WeakPolarHBondContact O-CB 3.27Å; E182-E186 WeakPolarHBondContact O-CG 3.1Å; E182-E186 PolarHBondContact O-N 2.91Å; V183-E186 PolarHBondContact O-N 2.57Å; E186-A188 PolarHBondContact O-N 3.24Å; E186-A188 VanDerWaalsContact O-N 3.1Å
187A95.7Very high95.5Very high53 Ų5363.9 Ų63.944%0.43833%0.334SS..THydrogen-bonded Turntrans-65.5-11.6-179.800000113.8V183 L189V183-A187 VanDerWaalsContact O-CB 3.28Å; V183-A187 WeakPolarHBondContact O-CB 3.49Å; V183-A187 PolarHBondContact O-N 3.28Å; A187-L189 VanDerWaalsContact C-N 3.25Å; A187-L189 HydrophobicContact CB-CD1 4.03Å; A187-L189 HydrophobicContact CB-CD2 4.45Å; A187-L189 HydrophobicContact CB-CG 3.87Å; A187-L189 PolarHBondContact O-N 3.45Å
188A94Very high95.3Very high85 Ų8564.2 Ų64.270%0.70234%0.336SS*.THydrogen-bonded Turntrans51.441.9176.100000113.6E185 E186E185-A188 PolarHBondContact O-N 2.96Å; E186-A188 PolarHBondContact O-N 3.24Å; E186-A188 VanDerWaalsContact O-N 3.1Å
189L96.3Very high95Very high20 Ų2066.1 Ų66.111%0.10535%0.349CS..  trans-68.5129.9-175-64.4161.6000110.7A150 L153 L184 A187 K191 L192A150-L189 HydrophobicContact CB-CD2 4.37Å; L153-L189 HydrophobicContact CB-CB 3.77Å; L153-L189 HydrophobicContact CB-CD1 3.8Å; L153-L189 HydrophobicContact CB-CG 4.26Å; L153-L189 HydrophobicContact CD1-CD1 3.54Å; L153-L189 HydrophobicContact CG-CD1 4.33Å; L184-L189 HydrophobicContact CD2-CD1 3.9Å; A187-L189 VanDerWaalsContact C-N 3.25Å; A187-L189 HydrophobicContact CB-CD1 4.03Å; A187-L189 HydrophobicContact CB-CD2 4.45Å; A187-L189 HydrophobicContact CB-CG 3.87Å; A187-L189 PolarHBondContact O-N 3.45Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 3.19Å; L189-L192 HydrophobicContact CB-CB 4.15Å; L189-L192 WeakPolarHBondContact O-CB 3.37Å; L189-L192 PolarHBondContact O-N 2.84Å; L189-L192 VanDerWaalsContact O-N 3.08Å
190P95.5Very high94.7Very high75 Ų7563.8 Ų63.849%0.48734%0.341SS..THydrogen-bonded Turntrans-68.4-24.9-162.826.4-36000114.4N154N154-P190 VanDerWaalsContact OD1-CD 3.24Å; N154-P190 WeakPolarHBondContact OD1-CD 3.47Å
191K95.5Very high94.4Very high35 Ų3563.1 Ų63.115%0.15234%0.337CS..THydrogen-bonded Turntrans-98.9-1.6178.9-49.5-54.5-179-179.90112.8L153 D160 M162 I163 L189 S193L153-K191 WeakPolarHBondContact O-CA 3.35Å; L153-K191 WeakPolarHBondContact O-CB 3.45Å; L153-K191 WeakPolarHBondContact O-CG 3.44Å; L153-K191 PolarHBondContact O-N 3.42Å; D160-K191 IonicContact OD1-NZ 3.33Å; D160-K191 PolarHBondContact OD1-NZ 3.05Å; M162-K191 CarbonylContact C-O 3.59Å; M162-K191 WeakPolarHBondContact CA-O 3.24Å; I163-K191 PolarHBondContact N-O 3.35Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 3.19Å; K191-S193 PolarHBondContact O-N 3.2Å
192L96.8Very high94Very high29 Ų2961.6 Ų61.615%0.15234%0.335CS..EExtended strand (participates in β ladder)trans-77.5117.2177.7-178.660.3000109.9L153 L165 L184 L189 V195L153-L192 HydrophobicContact CD1-CB 4.45Å; L153-L192 HydrophobicContact CD1-CD1 4.17Å; L153-L192 HydrophobicContact CD1-CD2 4.42Å; L153-L192 HydrophobicContact CD2-CB 4.06Å; L153-L192 HydrophobicContact CD2-CD1 3.78Å; L153-L192 HydrophobicContact CD2-CG 4.5Å; L165-L192 HydrophobicContact CB-CD1 4.21Å; L184-L192 HydrophobicContact CB-CD2 4.3Å; L184-L192 WeakPolarHBondContact O-CD2 3.39Å; L189-L192 HydrophobicContact CB-CB 4.15Å; L189-L192 WeakPolarHBondContact O-CB 3.37Å; L189-L192 PolarHBondContact O-N 2.84Å; L189-L192 VanDerWaalsContact O-N 3.08Å; L192-V195 HydrophobicContact CD1-CG2 3.65Å; L192-V195 HydrophobicContact CD2-CG2 3.8Å; L192-V195 HydrophobicContact CG-CG2 4.23Å
193S94.7Very high93.5Very high65 Ų6564.3 Ų64.346%0.45535%0.348SS..EExtended strand (participates in β ladder)trans-84.6-54.4171.2-178.90000110.5I163 K191I163-S193 VanDerWaalsContact O-CB 3.29Å; I163-S193 WeakPolarHBondContact O-CB 3.41Å; I163-S193 PolarHBondContact O-N 2.85Å; K191-S193 PolarHBondContact O-N 3.2Å
194R95.2Very high93.2Very high155 Ų15560.5 Ų60.559%0.58532%0.324SS*.EExtended strand (participates in β ladder)trans-160.9152.2-179.5-162.4167.2-176.3-178.32.3111L165L165-R194 PolarHBondContact N-O 3.37Å
195V96.7Very high93.2Very high4 Ų460.1 Ų60.12%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-110131.3172.1-174.60000109.7L165 L167 R181 L184 L192L165-V195 HydrophobicContact CD2-CG2 4.43Å; L165-V195 CarbonylContact O-C 3.59Å; L165-V195 WeakPolarHBondContact O-CA 3.33Å; L167-V195 HydrophobicContact CD1-CG1 3.73Å; L167-V195 HydrophobicContact CG-CG1 4.13Å; R181-V195 HydrophobicContact CB-CG1 3.98Å; R181-V195 HydrophobicContact CG-CB 3.86Å; R181-V195 HydrophobicContact CG-CG1 3.78Å; L184-V195 HydrophobicContact CB-CG2 4.15Å; L184-V195 HydrophobicContact CD1-CG2 4.37Å; L192-V195 HydrophobicContact CD1-CG2 3.65Å; L192-V195 HydrophobicContact CD2-CG2 3.8Å; L192-V195 HydrophobicContact CG-CG2 4.23Å
196H96.2Very high93.1Very high44 Ų4458 Ų5820%0.20432%0.317CS..EExtended strand (participates in β ladder)trans-119.6141.5177-60.5-86.1000110.1E164 L165 Y166 L167E164-H196 WeakPolarHBondContact CG-NE2 3.46Å; E164-H196 IonicContact OE1-CD2 3.65Å; E164-H196 IonicContact OE1-CE1 3.3Å; E164-H196 IonicContact OE1-NE2 2.78Å; E164-H196 PolarHBondContact OE1-NE2 2.65Å; L165-H196 PolarHBondContact O-N 3.16Å; Y166-H196 WeakPolarHBondContact CA-O 3.49Å; Y166-H196 HydrophobicContact CD1-CB 3.54Å; Y166-H196 HydrophobicContact CE1-CB 3.75Å; Y166-H196 AromaticContact CE1-CD2 3.72Å; Y166-H196 AromaticContact CE1-CG 3.76Å; Y166-H196 HydrophobicContact CG-CB 4.24Å; Y166-H196 AromaticContact CZ-CD2 3.75Å; L167-H196 PolarHBondContact N-O 3.23Å
197I95.7Very high92.8Very high34 Ų3456.9 Ų56.917%0.17431%0.311CS..EExtended strand (participates in β ladder)trans-105.2117171-64.8167.6000106.8L167 L177 F178 R181L167-I197 WeakPolarHBondContact O-CA 3.47Å; L177-I197 HydrophobicContact CB-CD1 4.03Å; L177-I197 HydrophobicContact CB-CG1 4.2Å; L177-I197 HydrophobicContact CB-CG2 4.28Å; L177-I197 HydrophobicContact CD1-CG2 3.97Å; F178-I197 HydrophobicContact CD1-CD1 3.2Å; F178-I197 HydrophobicContact CE1-CD1 3.51Å; F178-I197 HydrophobicContact CG-CD1 3.98Å; R181-I197 HydrophobicContact CB-CD1 4.26Å
198S91.4Very high92.9Very high11 Ų1154.4 Ų54.48%0.07729%0.29CS..  trans-102.8121.8-177.8-146.50000109.2L167 N168 D200L167-S198 PolarHBondContact O-N 3.26Å; N168-S198 PolarHBondContact ND2-O 3.07Å; S198-D200 PolarHBondContact OG-O 2.98Å
199D88.5Confident92.9Very high107 Ų10752.6 Ų52.657%0.57227%0.267SS*.SBendtrans-77.4-37.8171.8-71.1-42.5000110.9N168 K174N168-D199 PolarHBondContact ND2-O 2.89Å; K174-D199 IonicContact NZ-OD1 3.93Å; K174-D199 PolarHBondContact NZ-OD1 3.23Å; K174-D199 IonicContact NZ-OD2 2.65Å; K174-D199 PolarHBondContact NZ-OD2 3.24Å
200D87.9Confident92.9Very high69 Ų6951.6 Ų51.637%0.36926%0.262SS..SBendtrans-113.4129.4170.2-166.7-11.9000110.1S198 D202 K253S198-D200 PolarHBondContact OG-O 2.98Å; D200-D202 PolarHBondContact O-N 3.16Å; D200-D202 PolarHBondContact OD1-N 3.21Å; D200-K253 IonicContact OD1-NZ 2.68Å; D200-K253 PolarHBondContact OD1-NZ 2.85Å; D200-K253 IonicContact OD2-NZ 2.59Å
201V89Confident93.1Very high12 Ų1248 Ų487%0.07324%0.238CC..Hα-helixtrans-65-21175.1-65.60000112.8I138 N168 E203 C204 L205 L250 K253I138-V201 HydrophobicContact CD1-CG1 4.01Å; I138-V201 HydrophobicContact CG1-CG1 4.25Å; N168-V201 HydrophobicContact CB-CG1 3.83Å; N168-V201 VanDerWaalsContact OD1-CG1 3.23Å; N168-V201 WeakPolarHBondContact OD1-CG1 3.29Å; V201-E203 VanDerWaalsContact C-N 3.25Å; V201-E203 PolarHBondContact O-N 2.92Å; V201-C204 PolarHBondContact O-N 3.12Å; V201-C204 PolarHBondContact O-SG 3.21Å; V201-L205 HydrophobicContact CB-CD1 4.36Å; V201-L205 HydrophobicContact CB-CG 4.47Å; V201-L205 HydrophobicContact CG2-CD1 4.2Å; V201-L205 WeakPolarHBondContact O-CG 3.19Å; V201-L205 PolarHBondContact O-N 3.11Å; V201-L205 VanDerWaalsContact O-N 3.11Å; V201-L250 HydrophobicContact CG2-CD1 4.08Å; V201-K253 HydrophobicContact CG2-CD 4.24Å
202D88.3Confident93.1Very high41 Ų4146.4 Ų46.422%0.21923%0.231CC..Hα-helixtrans-58.5-35.6-174.6-80.4-0.1000113.8D200 K253D200-D202 PolarHBondContact O-N 3.16Å; D200-D202 PolarHBondContact OD1-N 3.21Å; D202-K253 VanDerWaalsContact OD1-CB 3.3Å; D202-K253 WeakPolarHBondContact OD1-CB 3.45Å; D202-K253 WeakPolarHBondContact OD1-CD 3.43Å; D202-K253 WeakPolarHBondContact OD1-CE 3.33Å; D202-K253 WeakPolarHBondContact OD1-CG 3.24Å; D202-K253 IonicContact OD1-NZ 2.79Å; D202-K253 PolarHBondContact OD1-NZ 2.7Å; D202-K253 WeakPolarHBondContact OD2-CE 3.39Å; D202-K253 IonicContact OD2-NZ 2.83Å; D202-K253 PolarHBondContact OD2-NZ 3.21Å
203E84Confident93.1Very high160 Ų16045 Ų4575%0.74822%0.224SC*.Hα-helixtrans-69.4-45.3-178.3-63.2-174.7174.600111V201V201-E203 VanDerWaalsContact C-N 3.25Å; V201-E203 PolarHBondContact O-N 2.92Å
204C89.8Confident93.1Very high3 Ų342 Ų422%0.0220%0.203CC..Hα-helixtrans-76.7-23.4-177.959.50000113.9I136 Y166 V201 T206I136-C204 HydrophobicContact CD1-CB 3.94Å; I136-C204 WeakPolarHBondContact CD1-O 3.25Å; I136-C204 HydrophobicContact CG1-CB 4.28Å; Y166-C204 HydrophobicContact CD1-CB 3.39Å; Y166-C204 HydrophobicContact CD2-CB 4.26Å; Y166-C204 HydrophobicContact CE1-CB 3.88Å; Y166-C204 HydrophobicContact CG-CB 3.6Å; V201-C204 PolarHBondContact O-N 3.12Å; V201-C204 PolarHBondContact O-SG 3.21Å; C204-T206 VanDerWaalsContact C-N 3.26Å; C204-T206 PolarHBondContact O-N 3.26Å
205L95.9Very high92.6Very high0 Ų035.7 Ų35.70%018%0.181CC..G310 helixtrans-65.4-22.4-175.7-75.2172.8000114.6I136 V201 H207 A208 V211 K253 M254 K257 C258I136-L205 HydrophobicContact CD1-CD2 4.05Å; V201-L205 HydrophobicContact CB-CD1 4.36Å; V201-L205 HydrophobicContact CB-CG 4.47Å; V201-L205 HydrophobicContact CG2-CD1 4.2Å; V201-L205 WeakPolarHBondContact O-CG 3.19Å; V201-L205 PolarHBondContact O-N 3.11Å; V201-L205 VanDerWaalsContact O-N 3.11Å; L205-H207 VanDerWaalsContact C-N 3.34Å; L205-H207 PolarHBondContact O-N 3.27Å; L205-A208 WeakPolarHBondContact O-CB 2.97Å; L205-A208 PolarHBondContact O-N 2.79Å; L205-V211 HydrophobicContact CD2-CG2 4.19Å; L205-K253 HydrophobicContact CD1-CB 3.99Å; L205-M254 HydrophobicContact CD1-CG 4.11Å; L205-M254 HydrophobicContact CD2-CG 4.1Å; L205-K257 HydrophobicContact CB-CB 3.93Å; L205-C258 WeakPolarHBondContact O-CA 3.23Å
206T92.6Very high92.3Very high57 Ų5736 Ų3635%0.3518%0.183SC..G310 helixtrans-62.7-37.3-172.6-55.40000113.2C204C204-T206 VanDerWaalsContact C-N 3.26Å; C204-T206 PolarHBondContact O-N 3.26Å
207H90Very high92Very high136 Ų13634.9 Ų34.963%0.6318%0.178SC*.G310 helixtrans-112.714.6-178.9-59.8-67.9000112.6N134 L205 K209N134-H207 WeakPolarHBondContact CB-O 3.31Å; L205-H207 VanDerWaalsContact C-N 3.34Å; L205-H207 PolarHBondContact O-N 3.27Å; H207-K209 PolarHBondContact O-N 2.75Å
208A96Very high91.6Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-58.8119.6-176.600000112I136 L205 V211 P259 V262I136-A208 HydrophobicContact CD1-CB 3.48Å; I136-A208 VanDerWaalsContact CD1-CB 3.48Å; I136-A208 HydrophobicContact CG1-CB 4.4Å; L205-A208 WeakPolarHBondContact O-CB 2.97Å; L205-A208 PolarHBondContact O-N 2.79Å; A208-V211 HydrophobicContact CB-CG2 4.02Å; A208-P259 WeakPolarHBondContact O-CD 3.18Å; A208-P259 WeakPolarHBondContact O-CG 3.38Å; A208-V262 HydrophobicContact CB-CG2 3.9Å; A208-V262 WeakPolarHBondContact O-CG2 3.38Å
209K95.3Very high91.4Very high47 Ų4737.4 Ų37.420%0.20419%0.191CC..EExtended strand (participates in β ladder)trans-86.8-47166.1-178.4-175.5176.9-163.40110.5S133 N134 E161 H207 R263S133-K209 WeakPolarHBondContact OG-CD 3.47Å; S133-K209 PolarHBondContact OG-NZ 2.94Å; N134-K209 PolarHBondContact O-N 3.46Å; E161-K209 IonicContact OE1-NZ 3.6Å; E161-K209 PolarHBondContact OE1-NZ 3.47Å; E161-K209 IonicContact OE2-NZ 2.96Å; E161-K209 PolarHBondContact OE2-NZ 3.35Å; H207-K209 PolarHBondContact O-N 2.75Å; K209-R263 PolarHBondContact O-N 2.82Å
210Q96.9Very high91.2Very high0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-128.8132.6-178.8-177.865.354.200110.1N134 V135 I136 F158 I212 R263N134-Q210 PolarHBondContact O-N 3.4Å; V135-Q210 WeakPolarHBondContact CA-O 3.13Å; V135-Q210 HydrophobicContact CG1-CB 4.35Å; V135-Q210 HydrophobicContact CG1-CG 4.42Å; V135-Q210 HydrophobicContact CG2-CB 4.24Å; I136-Q210 PolarHBondContact N-O 2.85Å; F158-Q210 HydrophobicContact CZ-CB 4.2Å; F158-Q210 HydrophobicContact CZ-CG 4Å; Q210-I212 HydrophobicContact CG-CD1 4.09Å; Q210-I212 HydrophobicContact CG-CG1 4.02Å; Q210-R263 CarbonylContact C-O 3.54Å; Q210-R263 WeakPolarHBondContact CA-O 3.12Å; Q210-R263 PolarHBondContact NE2-O 3.47Å; Q210-R263 VanDerWaalsContact NE2-O 3.13Å; Q210-R263 VanDerWaalsContact OE1-CB 3.29Å
211V97.9Very high90.7Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-117.5128.7168.8-174.20000108.1I136 I138 L205 A208 I213 M254 V262 R263 V264 L265I136-V211 HydrophobicContact CB-CG2 4.43Å; I136-V211 HydrophobicContact CD1-CG2 4.26Å; I136-V211 CarbonylContact O-C 3.58Å; I136-V211 WeakPolarHBondContact O-CA 3.24Å; I138-V211 HydrophobicContact CD1-CG1 3.9Å; I138-V211 HydrophobicContact CG1-CG1 4.32Å; L205-V211 HydrophobicContact CD2-CG2 4.19Å; A208-V211 HydrophobicContact CB-CG2 4.02Å; V211-I213 HydrophobicContact CG1-CD1 4.33Å; V211-I213 HydrophobicContact CG1-CG1 3.89Å; V211-M254 HydrophobicContact CB-CE 4.34Å; V211-M254 HydrophobicContact CG1-CE 4.47Å; V211-M254 HydrophobicContact CG2-CE 4.09Å; V211-V262 HydrophobicContact CG2-CG2 3.82Å; V211-R263 PolarHBondContact N-O 2.7Å; V211-V264 HydrophobicContact CB-CG1 4.35Å; V211-V264 HydrophobicContact CB-CG2 4.46Å; V211-V264 CarbonylContact O-C 3.53Å; V211-V264 VanDerWaalsContact O-CA 3.3Å; V211-V264 WeakPolarHBondContact O-CA 3.45Å; V211-L265 PolarHBondContact O-N 3.01Å
212I97Very high89.8Confident0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-118.3119.8175.4-64.3148.1000106.3V135 I136 V137 I138 F148 I152 Q210 L214 L265 L413V135-I212 HydrophobicContact CG1-CD1 4.01Å; I136-I212 PolarHBondContact O-N 3.28Å; V137-I212 WeakPolarHBondContact CA-O 3.37Å; V137-I212 HydrophobicContact CG2-CB 4.43Å; V137-I212 HydrophobicContact CG2-CD1 4.29Å; I138-I212 PolarHBondContact N-O 3.27Å; F148-I212 HydrophobicContact CE1-CD1 3.98Å; F148-I212 HydrophobicContact CE1-CG2 4.3Å; F148-I212 HydrophobicContact CZ-CD1 3.72Å; F148-I212 HydrophobicContact CZ-CG1 4.44Å; F148-I212 HydrophobicContact CZ-CG2 4.33Å; I152-I212 HydrophobicContact CD1-CD1 4.05Å; Q210-I212 HydrophobicContact CG-CD1 4.09Å; Q210-I212 HydrophobicContact CG-CG1 4.02Å; I212-L214 HydrophobicContact CG2-CD2 3.61Å; I212-L214 HydrophobicContact CG2-CG 4.38Å; I212-L265 WeakPolarHBondContact CA-O 3.29Å; I212-L265 HydrophobicContact CG1-CB 4.41Å; I212-L413 HydrophobicContact CD1-CD1 4.49Å
213I96.2Very high88.4Confident0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-112.8115.2-177.6-52.9172.8000107.5I138 V211 V216 F247 L250 V264 L265 L266 A267 G268 L290I138-I213 HydrophobicContact CB-CG1 4.48Å; I138-I213 HydrophobicContact CD1-CG1 4.22Å; V211-I213 HydrophobicContact CG1-CD1 4.33Å; V211-I213 HydrophobicContact CG1-CG1 3.89Å; I213-V216 HydrophobicContact CG2-CG1 3.74Å; I213-V216 HydrophobicContact CG2-CG2 4.06Å; I213-F247 HydrophobicContact CD1-CE1 4.26Å; I213-F247 HydrophobicContact CG2-CE1 4Å; I213-F247 HydrophobicContact CG2-CZ 4.15Å; I213-L250 HydrophobicContact CD1-CD2 3.69Å; I213-V264 HydrophobicContact CD1-CG1 3.92Å; I213-V264 HydrophobicContact CG1-CG1 4.46Å; I213-L265 PolarHBondContact N-O 3.13Å; I213-L266 HydrophobicContact CB-CD2 3.87Å; I213-L266 HydrophobicContact CD1-CD2 3.79Å; I213-L266 HydrophobicContact CD1-CG 4.35Å; I213-L266 HydrophobicContact CG1-CD2 4.38Å; I213-L266 HydrophobicContact CG2-CD2 4.07Å; I213-A267 PolarHBondContact O-N 2.92Å; I213-G268 PolarHBondContact O-N 3.49Å; I213-L290 HydrophobicContact CD1-CD2 4.34Å
214L93.7Very high87.2Confident1 Ų137 Ų371%0.00520%0.199CC..  trans-90.9-145.1-178.5-54.9-175.3000109.6V137 I138 F143 I145 I212 V216 A267 G268 M409V137-L214 HydrophobicContact CG1-CD1 3.72Å; V137-L214 HydrophobicContact CG1-CG 4.11Å; I138-L214 PolarHBondContact O-N 3Å; F143-L214 HydrophobicContact CE1-CB 3.68Å; F143-L214 HydrophobicContact CE1-CD1 3.96Å; F143-L214 HydrophobicContact CE1-CG 4.27Å; F143-L214 HydrophobicContact CE2-CD1 4.31Å; F143-L214 HydrophobicContact CZ-CB 3.86Å; F143-L214 HydrophobicContact CZ-CD1 3.63Å; F143-L214 HydrophobicContact CZ-CD2 3.9Å; F143-L214 HydrophobicContact CZ-CG 3.98Å; I145-L214 HydrophobicContact CD1-CD1 3.96Å; I145-L214 HydrophobicContact CG2-CD1 3.89Å; I212-L214 HydrophobicContact CG2-CD2 3.61Å; I212-L214 HydrophobicContact CG2-CG 4.38Å; L214-V216 PolarHBondContact O-N 3.5Å; L214-V216 VanDerWaalsContact O-N 3.16Å; L214-A267 HydrophobicContact CD2-CB 3.78Å; L214-G268 CarbonylContact C-O 3.54Å; L214-G268 VanDerWaalsContact C-O 3.22Å; L214-G268 WeakPolarHBondContact CA-O 3.32Å; L214-M409 HydrophobicContact CD2-SD 3.75Å
215D85.5Confident85.4Confident24 Ų2441.3 Ų41.313%0.12823%0.229CC..  trans-87.186.3175.9-160.214.7000111.8R243 G268 N269D215-R243 IonicContact OD1-NH1 2.57Å; D215-R243 PolarHBondContact OD1-NH1 2.95Å; D215-R243 VanDerWaalsContact OD1-NH1 3.1Å; D215-G268 PolarHBondContact N-O 2.78Å; D215-N269 HydrophobicContact CB-CB 3.69Å; D215-N269 WeakPolarHBondContact OD2-CB 3.45Å; D215-N269 PolarHBondContact OD2-ND2 2.67Å
216V90Very high83.2Confident11 Ų1144.3 Ų44.37%0.06725%0.245CC..SBendtrans-78.8-23.7-178.8-69.90000113.9I138 I213 L214 Y246 F247I138-V216 HydrophobicContact CB-CG1 4.31Å; I138-V216 HydrophobicContact CG2-CG1 3.57Å; I213-V216 HydrophobicContact CG2-CG1 3.74Å; I213-V216 HydrophobicContact CG2-CG2 4.06Å; L214-V216 PolarHBondContact O-N 3.5Å; L214-V216 VanDerWaalsContact O-N 3.16Å; V216-Y246 HydrophobicContact CB-CE1 3.86Å; V216-Y246 HydrophobicContact CG1-CE1 4.24Å; V216-Y246 HydrophobicContact CG2-CD1 3.86Å; V216-Y246 HydrophobicContact CG2-CE1 3.51Å; V216-F247 HydrophobicContact CG2-CE1 4.48Å; V216-F247 HydrophobicContact CG2-CE2 4.09Å; V216-F247 HydrophobicContact CG2-CZ 3.71Å
217I90.9Very high81.1Confident19 Ų1948 Ų4810%0.09726%0.262CS..SBendtrans-140.874.3-175.5-59.5-67.7000108W239 R242 R243 Y246I217-W239 PolarHBondContact O-NE1 2.97Å; I217-R242 HydrophobicContact CG2-CB 4.11Å; I217-R242 VanDerWaalsContact CG2-NH1 3.31Å; I217-R243 HydrophobicContact CB-CG 3.95Å; I217-R243 HydrophobicContact CG2-CG 3.68Å; I217-R243 PolarHBondContact O-NH1 2.77Å; I217-Y246 HydrophobicContact CD1-CD2 3.81Å; I217-Y246 HydrophobicContact CD1-CE2 4.49Å; I217-Y246 HydrophobicContact CD1-CG 4.04Å; I217-Y246 HydrophobicContact CG1-CD1 4.26Å; I217-Y246 HydrophobicContact CG1-CD2 4.04Å; I217-Y246 HydrophobicContact CG1-CG 3.77Å
218P86.8Confident79.1Confident57 Ų5750.4 Ų50.437%0.3727%0.265SS..PPolyproline II helixtrans-61.1156.5177.425.8-33.9000111.1W239 R242P218-W239 PolarHBondContact O-NE1 3.26Å; P218-R242 PolarHBondContact O-NH2 3.03Å
219R86.5Confident77Confident42 Ų4256.8 Ų56.816%0.15830%0.304CS..PPolyproline II helixtrans-75.3131.9171.6-165.8179.3-177.1-163.6-6108.5W233 E234 W239 E278R219-W233 HydrophobicContact CB-CE3 4.22Å; R219-W233 HydrophobicContact CB-CZ3 4.3Å; R219-W233 HydrophobicContact CG-CE3 4.04Å; R219-E234 HydrophobicContact CG-CB 4.34Å; R219-E234 PolarHBondContact NE-O 3.36Å; R219-E234 PolarHBondContact NH2-O 3.22Å; R219-W239 HydrophobicContact CB-CD2 3.62Å; R219-W239 HydrophobicContact CB-CE3 3.96Å; R219-W239 HydrophobicContact CB-CG 4.01Å; R219-W239 HydrophobicContact CB-CH2 4.2Å; R219-W239 HydrophobicContact CB-CZ2 3.92Å; R219-W239 HydrophobicContact CB-CZ3 4.23Å; R219-W239 HydrophobicContact CG-CB 4.14Å; R219-W239 HydrophobicContact CG-CD2 3.73Å; R219-W239 HydrophobicContact CG-CE3 3.88Å; R219-W239 HydrophobicContact CG-CG 3.86Å; R219-W239 HydrophobicContact CG-CZ3 4.48Å; R219-E278 WeakPolarHBondContact CD-O 3.41Å; R219-E278 PolarHBondContact NH1-O 2.96Å
220E84.8Confident75Confident120 Ų12062.7 Ų62.756%0.56133%0.333SS*.PPolyproline II helixtrans-72.2135.3175.2-61.9-79.7157.100109.1E234E220-E234 HydrophobicContact CB-CB 4.03Å; E220-E234 PolarHBondContact N-OE2 3.03Å; E220-E234 WeakPolarHBondContact O-CB 3.48Å; E220-E234 PolarHBondContact O-N 3.15Å
221G78.7Confident73.2Confident38 Ų3868 Ų6839%0.39236%0.361SS..  trans174-174.9-178.800000113
222P68.8Low72.2Confident21 Ų2176.5 Ų76.514%0.13640%0.401CS..  trans-59.8137.7-177.219.4-29.9000112.3D231 W233P222-D231 HydrophobicContact CB-CB 3.91Å; P222-D231 WeakPolarHBondContact CD-O 3.1Å; P222-D231 HydrophobicContact CG-CB 4.36Å; P222-D231 WeakPolarHBondContact CG-O 3.49Å; P222-W233 HydrophobicContact CG-CZ2 4.24Å
223S59.9Low71.4Confident70 Ų7080.4 Ų80.449%0.4942%0.415SS..  trans-60.5144.1169.4178.70000110.5S225 D226S223-S225 PolarHBondContact O-N 2.7Å; S223-S225 PolarHBondContact OG-N 3.35Å; S223-S225 PolarHBondContact OG-OG 2.88Å; S223-D226 PolarHBondContact O-N 2.98Å
224F57.3Low71Confident132 Ų13281.7 Ų81.758%0.57942%0.421SS*.THydrogen-bonded Turntrans-48.2-32173.7-88.2-85.2000113.1M279 P398F224-M279 HydrophobicContact CD2-CE 4.46Å; F224-M279 HydrophobicContact CE1-CE 3.82Å; F224-M279 HydrophobicContact CE2-CE 3.6Å; F224-M279 HydrophobicContact CZ-CE 3.23Å; F224-P398 HydrophobicContact CD1-CG 4.32Å; F224-P398 HydrophobicContact CD2-CG 4.49Å; F224-P398 HydrophobicContact CE1-CG 4.3Å; F224-P398 HydrophobicContact CE2-CG 4.48Å; F224-P398 HydrophobicContact CG-CG 4.4Å; F224-P398 HydrophobicContact CZ-CG 4.36Å
225S52.4Low70.8Confident93 Ų9384.6 Ų84.665%0.6544%0.441SS*.THydrogen-bonded Turntrans-84.1-24.2-177.257.80000114.7S223S223-S225 PolarHBondContact O-N 2.7Å; S223-S225 PolarHBondContact OG-N 3.35Å; S223-S225 PolarHBondContact OG-OG 2.88Å
226D49.4Very low70.9Confident62 Ų6287.1 Ų87.133%0.33245%0.448SS..  trans-127.356.5-166.4-77.9-78.2000110.8S223 R228S223-D226 PolarHBondContact O-N 2.98Å; D226-R228 PolarHBondContact O-N 2.9Å; D226-R228 IonicContact OD1-CZ 2.81Å; D226-R228 IonicContact OD1-NE 3.85Å; D226-R228 PolarHBondContact OD1-NE 3.48Å; D226-R228 VanDerWaalsContact OD1-NE 3.15Å; D226-R228 IonicContact OD1-NH2 2.9Å; D226-R228 PolarHBondContact OD1-NH2 3.2Å
227I49.7Very low70.9Confident136 Ų13692 Ų9270%0.69747%0.474SS*.  trans-71.267.2163-51173.9000108T229I227-T229 PolarHBondContact O-N 3.29Å; I227-T229 VanDerWaalsContact O-N 3.12Å
228R47.3Very low71Confident185 Ų18596 Ų9670%0.69849%0.492SS*.  trans-83.968.1164.9-64.7-173.2-145.8-154.45108.2D226 Q230D226-R228 PolarHBondContact O-N 2.9Å; D226-R228 IonicContact OD1-CZ 2.81Å; D226-R228 IonicContact OD1-NE 3.85Å; D226-R228 PolarHBondContact OD1-NE 3.48Å; D226-R228 VanDerWaalsContact OD1-NE 3.15Å; D226-R228 IonicContact OD1-NH2 2.9Å; D226-R228 PolarHBondContact OD1-NH2 3.2Å; R228-Q230 PolarHBondContact O-N 3.09Å
229T52.8Low71.3Confident134 Ų13493.3 Ų93.382%0.82248%0.475SS*.SBendtrans42.4-0.5157.548.10000122.2I227I227-T229 PolarHBondContact O-N 3.29Å; I227-T229 VanDerWaalsContact O-N 3.12Å
230Q51.9Low71.5Confident172 Ų17292.7 Ų92.780%0.80447%0.474SS*.  trans-141-5.9-177.6-80.1-175.4-15.800116.1R228 E232R228-Q230 PolarHBondContact O-N 3.09Å; Q230-E232 PolarHBondContact O-N 2.93Å; Q230-E232 VanDerWaalsContact O-N 3.14Å
231D60.6Low72Confident110 Ų11091.9 Ų91.959%0.58847%0.473SS*.  trans-76.7106.7172.7-70.5-22.8000109.5P222P222-D231 HydrophobicContact CB-CB 3.91Å; P222-D231 WeakPolarHBondContact CD-O 3.1Å; P222-D231 HydrophobicContact CG-CB 4.36Å; P222-D231 WeakPolarHBondContact CG-O 3.49Å
232E75.3Confident72.8Confident180 Ų18093.8 Ų93.884%0.84147%0.469SS*.  trans-79.2141174.2-66.4-172.3171.900110.3Q230Q230-E232 PolarHBondContact O-N 2.93Å; Q230-E232 VanDerWaalsContact O-N 3.14Å
233W81.4Confident74Confident81 Ų8192.8 Ų92.831%0.30746%0.462SS..  trans-64136.9169.3-70.491.9000110.2R219 P222 M279R219-W233 HydrophobicContact CB-CE3 4.22Å; R219-W233 HydrophobicContact CB-CZ3 4.3Å; R219-W233 HydrophobicContact CG-CE3 4.04Å; P222-W233 HydrophobicContact CG-CZ2 4.24Å; W233-M279 HydrophobicContact CH2-CE 4.33Å; W233-M279 HydrophobicContact CH2-CG 4.22Å; W233-M279 HydrophobicContact CZ2-CE 4.46Å; W233-M279 HydrophobicContact CZ2-CG 4.12Å; W233-M279 HydrophobicContact CZ2-SD 4.47Å
234E88.6Confident75.8Confident27 Ų2792.8 Ų92.813%0.12645%0.454CS..  trans-45.2135.4172.1174.3-166.8-176.100111.2R219 E220 R236 E238 W239 R242R219-E234 HydrophobicContact CG-CB 4.34Å; R219-E234 PolarHBondContact NE-O 3.36Å; R219-E234 PolarHBondContact NH2-O 3.22Å; E220-E234 HydrophobicContact CB-CB 4.03Å; E220-E234 PolarHBondContact N-OE2 3.03Å; E220-E234 WeakPolarHBondContact O-CB 3.48Å; E220-E234 PolarHBondContact O-N 3.15Å; E234-R236 PolarHBondContact O-N 2.93Å; E234-E238 HydrophobicContact CG-CB 4.18Å; E234-W239 WeakPolarHBondContact OE1-CA 3.44Å; E234-W239 PolarHBondContact OE1-N 3.33Å; E234-W239 VanDerWaalsContact OE1-N 3.11Å; E234-R242 IonicContact OE1-CZ 2.7Å; E234-R242 IonicContact OE1-NE 2.72Å; E234-R242 PolarHBondContact OE1-NE 3.23Å; E234-R242 IonicContact OE1-NH2 2.95Å; E234-R242 PolarHBondContact OE1-NH2 3.49Å; E234-R242 IonicContact OE2-CZ 3.15Å; E234-R242 IonicContact OE2-NE 3.36Å; E234-R242 IonicContact OE2-NH2 3.94Å; E234-R242 PolarHBondContact OE2-NH2 2.72Å
235P89.1Confident77.7Confident63 Ų6391.6 Ų91.641%0.40945%0.452SS..  trans-50.6131177.3-27.735.5000112.9N237 E238 W239P235-N237 WeakPolarHBondContact CB-OD1 3.49Å; P235-N237 PolarHBondContact O-N 2.95Å; P235-N237 VanDerWaalsContact O-N 3.09Å; P235-E238 HydrophobicContact CB-CG 4.26Å; P235-E238 PolarHBondContact O-N 2.9Å; P235-W239 PolarHBondContact O-N 2.99Å
236R86.4Confident79.8Confident77 Ų7790.3 Ų90.329%0.29143%0.434SS..Hα-helixtrans-57.9-32.4-172.4-172.1175.3-172.1-95.12.9113.2E234 W239 L240E234-R236 PolarHBondContact O-N 2.93Å; R236-W239 HydrophobicContact CG-CE3 4.43Å; R236-L240 HydrophobicContact CG-CD1 4.18Å; R236-L240 HydrophobicContact CG-CG 4.39Å; R236-L240 WeakPolarHBondContact O-CB 3.42Å; R236-L240 WeakPolarHBondContact O-CG 3.3Å; R236-L240 PolarHBondContact O-N 3.14Å
237N90.8Very high82Confident113 Ų11387.3 Ų87.360%0.60442%0.418SS*.Hα-helixtrans-65.4-38.5176.357-50000112.8P235 L241P235-N237 WeakPolarHBondContact CB-OD1 3.49Å; P235-N237 PolarHBondContact O-N 2.95Å; P235-N237 VanDerWaalsContact O-N 3.09Å; N237-L241 WeakPolarHBondContact O-CB 3.41Å; N237-L241 PolarHBondContact O-N 2.79Å
238E93.4Very high84.3Confident102 Ų10281.8 Ų81.848%0.47739%0.39SS..Hα-helixtrans-69.6-44.6177.4-65.5-177.7178.900110.5E234 P235 L240 L241 R242E234-E238 HydrophobicContact CG-CB 4.18Å; P235-E238 HydrophobicContact CB-CG 4.26Å; P235-E238 PolarHBondContact O-N 2.9Å; E238-L240 PolarHBondContact O-N 3.18Å; E238-L241 WeakPolarHBondContact O-CB 3.4Å; E238-L241 PolarHBondContact O-N 2.88Å; E238-L241 VanDerWaalsContact O-N 3.09Å; E238-R242 PolarHBondContact O-N 3.36Å
239W91.8Very high86.6Confident1 Ų179.3 Ų79.30%0.00438%0.384CS..Hα-helixtrans-57.7-48.5174.6177.438.4000112I217 P218 R219 E234 P235 R236 L241 R242 R243 P282I217-W239 PolarHBondContact O-NE1 2.97Å; P218-W239 PolarHBondContact O-NE1 3.26Å; R219-W239 HydrophobicContact CB-CD2 3.62Å; R219-W239 HydrophobicContact CB-CE3 3.96Å; R219-W239 HydrophobicContact CB-CG 4.01Å; R219-W239 HydrophobicContact CB-CH2 4.2Å; R219-W239 HydrophobicContact CB-CZ2 3.92Å; R219-W239 HydrophobicContact CB-CZ3 4.23Å; R219-W239 HydrophobicContact CG-CB 4.14Å; R219-W239 HydrophobicContact CG-CD2 3.73Å; R219-W239 HydrophobicContact CG-CE3 3.88Å; R219-W239 HydrophobicContact CG-CG 3.86Å; R219-W239 HydrophobicContact CG-CZ3 4.48Å; E234-W239 WeakPolarHBondContact OE1-CA 3.44Å; E234-W239 PolarHBondContact OE1-N 3.33Å; E234-W239 VanDerWaalsContact OE1-N 3.11Å; P235-W239 PolarHBondContact O-N 2.99Å; R236-W239 HydrophobicContact CG-CE3 4.43Å; W239-L241 VanDerWaalsContact C-N 3.26Å; W239-L241 PolarHBondContact O-N 2.79Å; W239-R242 VanDerWaalsContact CD1-NH2 3.26Å; W239-R242 PolarHBondContact O-N 3.44Å; W239-R243 WeakPolarHBondContact O-CG 3.41Å; W239-R243 PolarHBondContact O-N 3.03Å; W239-P282 VanDerWaalsContact CH2-CD 3.44Å; W239-P282 HydrophobicContact CH2-CG 4.31Å
240L91.9Very high88.7Confident29 Ų2973.1 Ų73.115%0.15235%0.346CS..Hα-helixtrans-61.8-33.3177.1-73.6174.7000112.5R236 E238 F244 P282 F285R236-L240 HydrophobicContact CG-CD1 4.18Å; R236-L240 HydrophobicContact CG-CG 4.39Å; R236-L240 WeakPolarHBondContact O-CB 3.42Å; R236-L240 WeakPolarHBondContact O-CG 3.3Å; R236-L240 PolarHBondContact O-N 3.14Å; E238-L240 PolarHBondContact O-N 3.18Å; L240-F244 WeakPolarHBondContact O-CB 3.5Å; L240-F244 PolarHBondContact O-N 2.84Å; L240-P282 HydrophobicContact CD2-CB 4.04Å; L240-P282 HydrophobicContact CD2-CG 3.71Å; L240-F285 HydrophobicContact CB-CZ 4.23Å; L240-F285 HydrophobicContact CD2-CD1 3.94Å; L240-F285 HydrophobicContact CD2-CD2 4.31Å; L240-F285 HydrophobicContact CD2-CE1 4.07Å; L240-F285 HydrophobicContact CD2-CE2 4.43Å; L240-F285 HydrophobicContact CD2-CG 4.04Å; L240-F285 HydrophobicContact CD2-CZ 4.29Å; L240-F285 WeakPolarHBondContact O-CE1 3.4Å; L240-F285 WeakPolarHBondContact O-CZ 3.46Å
241L95.6Very high90.9Very high103 Ų10364.9 Ų64.954%0.53931%0.308SS..Hα-helixtrans-66.8-45.1175-178.162.3000111.3N237 E238 W239 R243 F244 L245N237-L241 WeakPolarHBondContact O-CB 3.41Å; N237-L241 PolarHBondContact O-N 2.79Å; E238-L241 WeakPolarHBondContact O-CB 3.4Å; E238-L241 PolarHBondContact O-N 2.88Å; E238-L241 VanDerWaalsContact O-N 3.09Å; W239-L241 VanDerWaalsContact C-N 3.26Å; W239-L241 PolarHBondContact O-N 2.79Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 3.16Å; L241-F244 WeakPolarHBondContact O-CB 3.48Å; L241-F244 PolarHBondContact O-N 2.65Å; L241-L245 HydrophobicContact CG-CD1 4.45Å; L241-L245 WeakPolarHBondContact O-CG 3.5Å; L241-L245 PolarHBondContact O-N 2.75Å
242R95.3Very high92.6Very high78 Ų7863.4 Ų63.429%0.29430%0.297SS..Hα-helixtrans-60-44.5174.9-64.3-173.2-58.7107.3-1.8111.4I217 P218 E234 E238 W239 L245 Y246I217-R242 HydrophobicContact CG2-CB 4.11Å; I217-R242 VanDerWaalsContact CG2-NH1 3.31Å; P218-R242 PolarHBondContact O-NH2 3.03Å; E234-R242 IonicContact OE1-CZ 2.7Å; E234-R242 IonicContact OE1-NE 2.72Å; E234-R242 PolarHBondContact OE1-NE 3.23Å; E234-R242 IonicContact OE1-NH2 2.95Å; E234-R242 PolarHBondContact OE1-NH2 3.49Å; E234-R242 IonicContact OE2-CZ 3.15Å; E234-R242 IonicContact OE2-NE 3.36Å; E234-R242 IonicContact OE2-NH2 3.94Å; E234-R242 PolarHBondContact OE2-NH2 2.72Å; E238-R242 PolarHBondContact O-N 3.36Å; W239-R242 VanDerWaalsContact CD1-NH2 3.26Å; W239-R242 PolarHBondContact O-N 3.44Å; R242-L245 PolarHBondContact O-N 2.81Å; R242-Y246 PolarHBondContact O-N 2.76Å
243R94Very high93.6Very high1 Ų156.3 Ų56.30%0.00426%0.263CS..Hα-helixtrans-60.2-46.1174.9-68.1-16779.789.6-1.5111.7D215 I217 W239 L241 L245 Y246 F247 F285 D286D215-R243 IonicContact OD1-NH1 2.57Å; D215-R243 PolarHBondContact OD1-NH1 2.95Å; D215-R243 VanDerWaalsContact OD1-NH1 3.1Å; I217-R243 HydrophobicContact CB-CG 3.95Å; I217-R243 HydrophobicContact CG2-CG 3.68Å; I217-R243 PolarHBondContact O-NH1 2.77Å; W239-R243 WeakPolarHBondContact O-CG 3.41Å; W239-R243 PolarHBondContact O-N 3.03Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 3.16Å; R243-L245 PolarHBondContact O-N 3.09Å; R243-Y246 PolarHBondContact O-N 3.23Å; R243-F247 HydrophobicContact CB-CD2 4.4Å; R243-F247 VanDerWaalsContact O-CD2 3.29Å; R243-F247 WeakPolarHBondContact O-CD2 3.36Å; R243-F247 PolarHBondContact O-N 3.12Å; R243-F285 HydrophobicContact CB-CE1 4.1Å; R243-D286 IonicContact CZ-OD1 2.8Å; R243-D286 IonicContact CZ-OD2 2.98Å; R243-D286 IonicContact NE-OD1 3.54Å; R243-D286 PolarHBondContact NE-OD1 2.92Å; R243-D286 IonicContact NE-OD2 2.67Å; R243-D286 PolarHBondContact NE-OD2 3.36Å; R243-D286 IonicContact NH2-OD1 3.53Å; R243-D286 IonicContact NH2-OD2 2.7Å; R243-D286 PolarHBondContact NH2-OD2 3.12Å
244F96.6Very high94.4Very high70 Ų7052.5 Ų52.531%0.30725%0.249SC..Hα-helixtrans-56.4-50.7177.3176.1-102000111.3L240 L241 Y246 F247 D248 F285 T289L240-F244 WeakPolarHBondContact O-CB 3.5Å; L240-F244 PolarHBondContact O-N 2.84Å; L241-F244 WeakPolarHBondContact O-CB 3.48Å; L241-F244 PolarHBondContact O-N 2.65Å; F244-Y246 VanDerWaalsContact C-N 3.3Å; F244-Y246 PolarHBondContact O-N 3.39Å; F244-F247 PolarHBondContact O-N 2.77Å; F244-D248 HydrophobicContact CE1-CB 4.48Å; F244-D248 HydrophobicContact CZ-CB 4.42Å; F244-D248 WeakPolarHBondContact O-CB 3.16Å; F244-D248 PolarHBondContact O-N 3.17Å; F244-F285 HydrophobicContact CB-CE1 4.15Å; F244-F285 HydrophobicContact CB-CZ 3.88Å; F244-F285 HydrophobicContact CD2-CZ 4.49Å; F244-T289 HydrophobicContact CD2-CG2 3.68Å; F244-T289 HydrophobicContact CE2-CG2 3.96Å
245L97.6Very high94.8Very high106 Ų10655.6 Ų55.656%0.55526%0.262SS*.Hα-helixtrans-59.9-41.6-179.2-67.8172.7000111.8L241 R242 R243 K249L241-L245 HydrophobicContact CG-CD1 4.45Å; L241-L245 WeakPolarHBondContact O-CG 3.5Å; L241-L245 PolarHBondContact O-N 2.75Å; R242-L245 PolarHBondContact O-N 2.81Å; R243-L245 PolarHBondContact O-N 3.09Å; L245-K249 WeakPolarHBondContact O-CB 3.15Å; L245-K249 PolarHBondContact O-N 3.5Å; L245-K249 VanDerWaalsContact O-N 3.12Å
246Y96.2Very high95.1Very high66 Ų6659.3 Ų59.326%0.25927%0.274SS..Hα-helixtrans-63.9-56176.5-177.9-86.4000112I138 V216 I217 R242 R243 F244 D248 K249 L250I138-Y246 VanDerWaalsContact CG2-OH 3.3Å; I138-Y246 WeakPolarHBondContact CG2-OH 3.5Å; V216-Y246 HydrophobicContact CB-CE1 3.86Å; V216-Y246 HydrophobicContact CG1-CE1 4.24Å; V216-Y246 HydrophobicContact CG2-CD1 3.86Å; V216-Y246 HydrophobicContact CG2-CE1 3.51Å; I217-Y246 HydrophobicContact CD1-CD2 3.81Å; I217-Y246 HydrophobicContact CD1-CE2 4.49Å; I217-Y246 HydrophobicContact CD1-CG 4.04Å; I217-Y246 HydrophobicContact CG1-CD1 4.26Å; I217-Y246 HydrophobicContact CG1-CD2 4.04Å; I217-Y246 HydrophobicContact CG1-CG 3.77Å; R242-Y246 PolarHBondContact O-N 2.76Å; R243-Y246 PolarHBondContact O-N 3.23Å; F244-Y246 VanDerWaalsContact C-N 3.3Å; F244-Y246 PolarHBondContact O-N 3.39Å; Y246-D248 VanDerWaalsContact C-N 3.28Å; Y246-D248 PolarHBondContact O-N 3.19Å; Y246-K249 PolarHBondContact O-N 3.44Å; Y246-L250 HydrophobicContact CE1-CB 4.42Å; Y246-L250 HydrophobicContact CE1-CD2 3.91Å; Y246-L250 WeakPolarHBondContact O-CB 3.46Å; Y246-L250 PolarHBondContact O-N 3.11Å
247F96.6Very high95.5Very high0 Ų060.2 Ų60.20%028%0.28CS..Hα-helixtrans-67.9-29-176.9-80-69.8000112.9I213 V216 R243 F244 L250 G251 L266 D286 T289I213-F247 HydrophobicContact CD1-CE1 4.26Å; I213-F247 HydrophobicContact CG2-CE1 4Å; I213-F247 HydrophobicContact CG2-CZ 4.15Å; V216-F247 HydrophobicContact CG2-CE1 4.48Å; V216-F247 HydrophobicContact CG2-CE2 4.09Å; V216-F247 HydrophobicContact CG2-CZ 3.71Å; R243-F247 HydrophobicContact CB-CD2 4.4Å; R243-F247 VanDerWaalsContact O-CD2 3.29Å; R243-F247 WeakPolarHBondContact O-CD2 3.36Å; R243-F247 PolarHBondContact O-N 3.12Å; F244-F247 PolarHBondContact O-N 2.77Å; F247-L250 HydrophobicContact CD1-CD2 4.44Å; F247-G251 PolarHBondContact O-N 3.38Å; F247-L266 HydrophobicContact CD1-CD2 4.24Å; F247-L266 HydrophobicContact CE1-CD2 3.34Å; F247-L266 HydrophobicContact CZ-CD2 3.77Å; F247-D286 HydrophobicContact CD1-CB 4.38Å; F247-D286 HydrophobicContact CD2-CB 3.93Å; F247-D286 WeakPolarHBondContact CD2-OD1 3.3Å; F247-D286 HydrophobicContact CE1-CB 4.15Å; F247-D286 HydrophobicContact CE2-CB 3.68Å; F247-D286 WeakPolarHBondContact CE2-OD1 2.95Å; F247-D286 HydrophobicContact CG-CB 4.29Å; F247-D286 HydrophobicContact CZ-CB 3.8Å; F247-T289 HydrophobicContact CB-CG2 3.72Å
248D96.8Very high95.8Very high19 Ų1954.9 Ų54.910%0.10225%0.251CS..Hα-helixtrans-66-48.1172.6-164.273.4000111.1F244 Y246 G251 Q252 T289 R293F244-D248 HydrophobicContact CE1-CB 4.48Å; F244-D248 HydrophobicContact CZ-CB 4.42Å; F244-D248 WeakPolarHBondContact O-CB 3.16Å; F244-D248 PolarHBondContact O-N 3.17Å; Y246-D248 VanDerWaalsContact C-N 3.28Å; Y246-D248 PolarHBondContact O-N 3.19Å; D248-G251 PolarHBondContact O-N 2.92Å; D248-Q252 WeakPolarHBondContact O-CG 3.4Å; D248-Q252 PolarHBondContact O-N 3Å; D248-Q252 PolarHBondContact OD2-NE2 2.94Å; D248-T289 HydrophobicContact CB-CG2 4.41Å; D248-R293 IonicContact OD1-CZ 3.73Å; D248-R293 IonicContact OD1-NE 3.41Å; D248-R293 PolarHBondContact OD1-NE 3.11Å; D248-R293 IonicContact OD1-NH2 2.79Å; D248-R293 PolarHBondContact OD1-NH2 3Å; D248-R293 IonicContact OD2-CZ 2.92Å; D248-R293 VanDerWaalsContact OD2-CZ 3.27Å; D248-R293 IonicContact OD2-NE 3.33Å; D248-R293 PolarHBondContact OD2-NE 2.78Å; D248-R293 IonicContact OD2-NH2 3.04Å; D248-R293 PolarHBondContact OD2-NH2 2.84Å
249K96.5Very high95.9Very high133 Ų13351.8 Ų51.858%0.57824%0.24SC*.Hα-helixtrans-63.2-45.5176.5-173.1179.4-179.8-176.10111.6L245 Y246 G251 Q252 K253L245-K249 WeakPolarHBondContact O-CB 3.15Å; L245-K249 PolarHBondContact O-N 3.5Å; L245-K249 VanDerWaalsContact O-N 3.12Å; Y246-K249 PolarHBondContact O-N 3.44Å; K249-G251 VanDerWaalsContact C-N 3.34Å; K249-G251 PolarHBondContact O-N 3.46Å; K249-Q252 WeakPolarHBondContact O-CB 3.03Å; K249-Q252 PolarHBondContact O-N 3.13Å; K249-K253 WeakPolarHBondContact O-CG 3.35Å; K249-K253 PolarHBondContact O-N 3.26Å; K249-K253 VanDerWaalsContact O-N 3.13Å
250L96.7Very high96.1Very high4 Ų458.7 Ų58.72%0.02127%0.27CS..Hα-helixtrans-61-44.1176-179.360.1000111.1I138 V201 I213 Y246 F247 Q252 K253 M254 L290I138-L250 HydrophobicContact CD1-CD1 4.15Å; I138-L250 HydrophobicContact CD1-CD2 4.18Å; V201-L250 HydrophobicContact CG2-CD1 4.08Å; I213-L250 HydrophobicContact CD1-CD2 3.69Å; Y246-L250 HydrophobicContact CE1-CB 4.42Å; Y246-L250 HydrophobicContact CE1-CD2 3.91Å; Y246-L250 WeakPolarHBondContact O-CB 3.46Å; Y246-L250 PolarHBondContact O-N 3.11Å; F247-L250 HydrophobicContact CD1-CD2 4.44Å; L250-Q252 VanDerWaalsContact C-N 3.28Å; L250-Q252 PolarHBondContact O-N 3.47Å; L250-K253 WeakPolarHBondContact O-CB 3.35Å; L250-K253 PolarHBondContact O-N 2.95Å; L250-K253 VanDerWaalsContact O-N 3.16Å; L250-M254 HydrophobicContact CD1-CG 4.22Å; L250-M254 HydrophobicContact CD1-SD 4.41Å; L250-M254 HydrophobicContact CG-CG 4.32Å; L250-M254 HydrophobicContact CG-SD 4.06Å; L250-M254 VanDerWaalsContact O-CG 3.31Å; L250-M254 WeakPolarHBondContact O-CG 3.29Å; L250-M254 PolarHBondContact O-N 3.17Å; L250-L290 HydrophobicContact CG-CD1 4.43Å
251G97.3Very high96.2Very high0 Ų061.1 Ų61.10%029%0.29CS..Hα-helixtrans-61.5-34.2176.500000113.4F247 D248 K249 K255 L290 T294F247-G251 PolarHBondContact O-N 3.38Å; D248-G251 PolarHBondContact O-N 2.92Å; K249-G251 VanDerWaalsContact C-N 3.34Å; K249-G251 PolarHBondContact O-N 3.46Å; G251-K255 VanDerWaalsContact O-CB 3.3Å; G251-K255 WeakPolarHBondContact O-CB 3.31Å; G251-K255 PolarHBondContact O-N 3.48Å; G251-L290 VanDerWaalsContact CA-CD1 3.48Å; G251-T294 WeakPolarHBondContact O-CG2 3.41Å
252Q97Very high96.2Very high78 Ų7856.2 Ų56.236%0.36426%0.264SS..Hα-helixtrans-64-48.2173.2-71.1172.830.100111D248 K249 L250 K255 Q256 R293D248-Q252 WeakPolarHBondContact O-CG 3.4Å; D248-Q252 PolarHBondContact O-N 3Å; D248-Q252 PolarHBondContact OD2-NE2 2.94Å; K249-Q252 WeakPolarHBondContact O-CB 3.03Å; K249-Q252 PolarHBondContact O-N 3.13Å; L250-Q252 VanDerWaalsContact C-N 3.28Å; L250-Q252 PolarHBondContact O-N 3.47Å; Q252-K255 PolarHBondContact O-N 2.84Å; Q252-Q256 WeakPolarHBondContact O-CG 3.3Å; Q252-Q256 PolarHBondContact O-N 2.98Å; Q252-R293 HydrophobicContact CB-CG 4.45Å; Q252-R293 HydrophobicContact CG-CG 3.77Å; Q252-R293 VanDerWaalsContact N-CG 3.35Å
253K96.7Very high96.3Very high32 Ų3256.3 Ų56.314%0.13926%0.264CS..Hα-helixtrans-59.3-49.5177.2-68.4169.5155.1-118.70111.4D200 V201 D202 L205 K249 L250 K255 Q256 K257D200-K253 IonicContact OD1-NZ 2.68Å; D200-K253 PolarHBondContact OD1-NZ 2.85Å; D200-K253 IonicContact OD2-NZ 2.59Å; V201-K253 HydrophobicContact CG2-CD 4.24Å; D202-K253 VanDerWaalsContact OD1-CB 3.3Å; D202-K253 WeakPolarHBondContact OD1-CB 3.45Å; D202-K253 WeakPolarHBondContact OD1-CD 3.43Å; D202-K253 WeakPolarHBondContact OD1-CE 3.33Å; D202-K253 WeakPolarHBondContact OD1-CG 3.24Å; D202-K253 IonicContact OD1-NZ 2.79Å; D202-K253 PolarHBondContact OD1-NZ 2.7Å; D202-K253 WeakPolarHBondContact OD2-CE 3.39Å; D202-K253 IonicContact OD2-NZ 2.83Å; D202-K253 PolarHBondContact OD2-NZ 3.21Å; L205-K253 HydrophobicContact CD1-CB 3.99Å; K249-K253 WeakPolarHBondContact O-CG 3.35Å; K249-K253 PolarHBondContact O-N 3.26Å; K249-K253 VanDerWaalsContact O-N 3.13Å; L250-K253 WeakPolarHBondContact O-CB 3.35Å; L250-K253 PolarHBondContact O-N 2.95Å; L250-K253 VanDerWaalsContact O-N 3.16Å; K253-K255 VanDerWaalsContact C-N 3.34Å; K253-K255 PolarHBondContact O-N 2.82Å; K253-Q256 PolarHBondContact O-N 3.17Å; K253-Q256 VanDerWaalsContact O-N 3.13Å; K253-K257 PolarHBondContact O-N 3.35Å
254M97.3Very high96.5Very high0 Ų056.3 Ų56.30%026%0.264CS..Hα-helixtrans-60.7-40.5177.7-67.4-176.782.200112.4L205 V211 L250 Q256 C258 V264 L290 T294 I298L205-M254 HydrophobicContact CD1-CG 4.11Å; L205-M254 HydrophobicContact CD2-CG 4.1Å; V211-M254 HydrophobicContact CB-CE 4.34Å; V211-M254 HydrophobicContact CG1-CE 4.47Å; V211-M254 HydrophobicContact CG2-CE 4.09Å; L250-M254 HydrophobicContact CD1-CG 4.22Å; L250-M254 HydrophobicContact CD1-SD 4.41Å; L250-M254 HydrophobicContact CG-CG 4.32Å; L250-M254 HydrophobicContact CG-SD 4.06Å; L250-M254 VanDerWaalsContact O-CG 3.31Å; L250-M254 WeakPolarHBondContact O-CG 3.29Å; L250-M254 PolarHBondContact O-N 3.17Å; M254-Q256 VanDerWaalsContact C-N 3.27Å; M254-Q256 PolarHBondContact O-N 2.97Å; M254-C258 WeakPolarHBondContact O-CB 3.36Å; M254-C258 PolarHBondContact O-N 3.33Å; M254-V264 HydrophobicContact CE-CB 4.48Å; M254-V264 HydrophobicContact CE-CG1 4.25Å; M254-V264 HydrophobicContact CE-CG2 3.39Å; M254-L290 HydrophobicContact SD-CD1 3.83Å; M254-L290 HydrophobicContact SD-CD2 4.05Å; M254-L290 HydrophobicContact SD-CG 4.39Å; M254-T294 HydrophobicContact CB-CG2 4.15Å; M254-I298 HydrophobicContact CB-CD1 4.2Å; M254-I298 HydrophobicContact CE-CD1 4.37Å
255K96.5Very high96.5Very high92 Ų9253 Ų5340%0.425%0.25SC..Hα-helixtrans-61.4-37177.1178.2162.2174.8166.60112.5G251 Q252 K253 R293 K295 K297G251-K255 VanDerWaalsContact O-CB 3.3Å; G251-K255 WeakPolarHBondContact O-CB 3.31Å; G251-K255 PolarHBondContact O-N 3.48Å; Q252-K255 PolarHBondContact O-N 2.84Å; K253-K255 VanDerWaalsContact C-N 3.34Å; K253-K255 PolarHBondContact O-N 2.82Å; K255-R293 WeakPolarHBondContact CD-O 3.42Å; K255-K295 PolarHBondContact NZ-O 3.03Å; K255-K297 HydrophobicContact CG-CB 3.98Å; K255-K297 WeakPolarHBondContact O-CD 3.39Å; K255-K297 WeakPolarHBondContact O-CG 3.47Å
256Q95.8Very high96.4Very high141 Ų14148.1 Ų48.166%0.65922%0.224SC*.Hα-helixtrans-77.8-47-179.1-67.817312.300111.8Q252 K253 M254Q252-Q256 WeakPolarHBondContact O-CG 3.3Å; Q252-Q256 PolarHBondContact O-N 2.98Å; K253-Q256 PolarHBondContact O-N 3.17Å; K253-Q256 VanDerWaalsContact O-N 3.13Å; M254-Q256 VanDerWaalsContact C-N 3.27Å; M254-Q256 PolarHBondContact O-N 2.97Å
257K95.8Very high96.2Very high96 Ų9645 Ų4542%0.41721%0.212SC..Hα-helixtrans-98.2-40.3-166.3-61.7-65.7-170.7168.90114.3L205 K253L205-K257 HydrophobicContact CB-CB 3.93Å; K253-K257 PolarHBondContact O-N 3.35Å
258C96.8Very high95.7Very high1 Ų145.1 Ų45.11%0.00721%0.213CC..SBendtrans-66149.3-171.2-68.10000113L205 M254 V262 K297 I298L205-C258 WeakPolarHBondContact O-CA 3.23Å; M254-C258 WeakPolarHBondContact O-CB 3.36Å; M254-C258 PolarHBondContact O-N 3.33Å; C258-V262 HydrophobicContact CB-CB 4.08Å; C258-V262 HydrophobicContact CB-CG1 3.7Å; C258-V262 HydrophobicContact CB-CG2 4.43Å; C258-K297 WeakPolarHBondContact O-CE 3.31Å; C258-K297 PolarHBondContact O-NZ 3.15Å; C258-K297 VanDerWaalsContact O-NZ 3.17Å; C258-I298 HydrophobicContact CB-CD1 4.36Å
259P95.5Very high94.9Very high38 Ų3845.2 Ų45.225%0.24721%0.214CC..  trans-65.8155.8166.929.1-33.5000110.3A208 S261 V262A208-P259 WeakPolarHBondContact O-CD 3.18Å; A208-P259 WeakPolarHBondContact O-CG 3.38Å; P259-S261 PolarHBondContact O-N 2.92Å; P259-V262 HydrophobicContact CG-CB 4.2Å; P259-V262 WeakPolarHBondContact O-CG1 3.34Å; P259-V262 PolarHBondContact O-N 2.73Å
260K95.2Very high93.6Very high145 Ų14540.5 Ų40.563%0.6320%0.195SC*.THydrogen-bonded Turntrans-63-21.6177-67.5-174.5179.6177.10112.7K297 Q302K260-K297 HydrophobicContact CG-CD 4.31Å; K260-Q302 PolarHBondContact O-NE2 3.28Å; K260-Q302 PolarHBondContact O-OE1 3.4Å
261S94.4Very high92.1Very high80 Ų8040.7 Ų40.756%0.55920%0.197SC*.THydrogen-bonded Turntrans-87.4-2.4-179.751.10000114.5P259 R263P259-S261 PolarHBondContact O-N 2.92Å; S261-R263 PolarHBondContact O-N 3.03Å
262V96.8Very high90.1Very high0 Ų040.8 Ų40.80%020%0.197CC..  trans-58.7136-178.470.10000111.5A208 V211 C258 P259 I298 Q302A208-V262 HydrophobicContact CB-CG2 3.9Å; A208-V262 WeakPolarHBondContact O-CG2 3.38Å; V211-V262 HydrophobicContact CG2-CG2 3.82Å; C258-V262 HydrophobicContact CB-CB 4.08Å; C258-V262 HydrophobicContact CB-CG1 3.7Å; C258-V262 HydrophobicContact CB-CG2 4.43Å; P259-V262 HydrophobicContact CG-CB 4.2Å; P259-V262 WeakPolarHBondContact O-CG1 3.34Å; P259-V262 PolarHBondContact O-N 2.73Å; V262-I298 HydrophobicContact CG1-CD1 3.53Å; V262-I298 HydrophobicContact CG1-CG1 3.9Å; V262-I298 HydrophobicContact CG1-CG2 4.18Å; V262-Q302 WeakPolarHBondContact O-CB 3.48Å; V262-Q302 PolarHBondContact O-NE2 3.09Å
263R96.2Very high88.2Confident81 Ų8137.1 Ų37.131%0.30618%0.181SC..EExtended strand (participates in β ladder)trans-105.6142174.3-62.7168.7-169.6-174.75109.2K209 Q210 V211 S261 W417K209-R263 PolarHBondContact O-N 2.82Å; Q210-R263 CarbonylContact C-O 3.54Å; Q210-R263 WeakPolarHBondContact CA-O 3.12Å; Q210-R263 PolarHBondContact NE2-O 3.47Å; Q210-R263 VanDerWaalsContact NE2-O 3.13Å; Q210-R263 VanDerWaalsContact OE1-CB 3.29Å; V211-R263 PolarHBondContact N-O 2.7Å; S261-R263 PolarHBondContact O-N 3.03Å; R263-W417 HydrophobicContact CB-CH2 4.28Å; R263-W417 HydrophobicContact CB-CZ2 4.01Å; R263-W417 VanDerWaalsContact NH1-CB 3.27Å
264V97.4Very high86.5Confident0 Ų036.4 Ų36.40%018%0.179CC..EExtended strand (participates in β ladder)trans-131.4120.6-174.7-168.10000109.3V211 I213 M254 L290 Q302 I303 V304V211-V264 HydrophobicContact CB-CG1 4.35Å; V211-V264 HydrophobicContact CB-CG2 4.46Å; V211-V264 CarbonylContact O-C 3.53Å; V211-V264 VanDerWaalsContact O-CA 3.3Å; V211-V264 WeakPolarHBondContact O-CA 3.45Å; I213-V264 HydrophobicContact CD1-CG1 3.92Å; I213-V264 HydrophobicContact CG1-CG1 4.46Å; M254-V264 HydrophobicContact CE-CB 4.48Å; M254-V264 HydrophobicContact CE-CG1 4.25Å; M254-V264 HydrophobicContact CE-CG2 3.39Å; V264-L290 HydrophobicContact CG1-CD2 3.89Å; V264-Q302 PolarHBondContact N-O 3.3Å; V264-I303 HydrophobicContact CB-CG1 4.19Å; V264-I303 HydrophobicContact CB-CG2 4.4Å; V264-I303 HydrophobicContact CG2-CG1 4.12Å; V264-V304 PolarHBondContact O-N 3.46Å
265L96.7Very high84.6Confident0 Ų038 Ų380%019%0.186CC..EExtended strand (participates in β ladder)trans-106119.7169.2179.762000109V211 I212 I213 A267 V304 L306 L413 W417V211-L265 PolarHBondContact O-N 3.01Å; I212-L265 WeakPolarHBondContact CA-O 3.29Å; I212-L265 HydrophobicContact CG1-CB 4.41Å; I213-L265 PolarHBondContact N-O 3.13Å; L265-A267 HydrophobicContact CD2-CB 4.5Å; L265-A267 HydrophobicContact CG-CB 4.38Å; L265-V304 CarbonylContact C-O 3.55Å; L265-V304 WeakPolarHBondContact CA-O 3.18Å; L265-V304 HydrophobicContact CD1-CG2 3.98Å; L265-L306 HydrophobicContact CD1-CB 4.25Å; L265-L413 HydrophobicContact CB-CD2 4.4Å; L265-L413 HydrophobicContact CD2-CD2 3.63Å; L265-L413 HydrophobicContact CD2-CG 4.22Å; L265-W417 HydrophobicContact CB-CH2 3.92Å; L265-W417 HydrophobicContact CB-CZ3 4.24Å
266L95.7Very high82.9Confident4 Ų437.5 Ų37.52%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-94.797169.2-76.2150000108.6I213 F247 T283 D286 V287 L290 I303 V304 G305 L306I213-L266 HydrophobicContact CB-CD2 3.87Å; I213-L266 HydrophobicContact CD1-CD2 3.79Å; I213-L266 HydrophobicContact CD1-CG 4.35Å; I213-L266 HydrophobicContact CG1-CD2 4.38Å; I213-L266 HydrophobicContact CG2-CD2 4.07Å; F247-L266 HydrophobicContact CD1-CD2 4.24Å; F247-L266 HydrophobicContact CE1-CD2 3.34Å; F247-L266 HydrophobicContact CZ-CD2 3.77Å; L266-T283 HydrophobicContact CB-CG2 4.13Å; L266-T283 WeakPolarHBondContact O-CG2 3.41Å; L266-D286 HydrophobicContact CD2-CB 4.08Å; L266-V287 HydrophobicContact CB-CG2 4.2Å; L266-V287 HydrophobicContact CD1-CB 4.08Å; L266-V287 HydrophobicContact CD1-CG2 3.41Å; L266-V287 VanDerWaalsContact CD1-CG2 3.41Å; L266-V287 HydrophobicContact CG-CG2 4.43Å; L266-L290 HydrophobicContact CD1-CD2 4.18Å; L266-I303 HydrophobicContact CD1-CG2 3.99Å; L266-V304 PolarHBondContact N-O 3.07Å; L266-G305 CarbonylContact O-C 3.53Å; L266-G305 VanDerWaalsContact O-CA 3.26Å; L266-G305 WeakPolarHBondContact O-CA 3.49Å; L266-L306 PolarHBondContact O-N 3.28Å
267A92.7Very high81Confident0 Ų034.8 Ų34.80%017%0.172CC..  trans-88.9-28.2-173.100000113I213 L214 L265 L306 Y405 M409I213-A267 PolarHBondContact O-N 2.92Å; L214-A267 HydrophobicContact CD2-CB 3.78Å; L265-A267 HydrophobicContact CD2-CB 4.5Å; L265-A267 HydrophobicContact CG-CB 4.38Å; A267-L306 HydrophobicContact CB-CB 4.37Å; A267-L306 HydrophobicContact CB-CD2 4.1Å; A267-Y405 WeakPolarHBondContact CA-OH 3.48Å; A267-Y405 WeakPolarHBondContact CB-OH 3.44Å; A267-Y405 WeakPolarHBondContact O-CE2 3.32Å; A267-Y405 PolarHBondContact O-OH 3.03Å; A267-M409 HydrophobicContact CB-CG 4.08Å; A267-M409 HydrophobicContact CB-SD 3.64Å
268G86.1Confident79.4Confident3 Ų334.4 Ų34.43%0.03117%0.172CC..  trans70.6-145.3-179.400000113.5I213 L214 D215 Y405I213-G268 PolarHBondContact O-N 3.49Å; L214-G268 CarbonylContact C-O 3.54Å; L214-G268 VanDerWaalsContact C-O 3.22Å; L214-G268 WeakPolarHBondContact CA-O 3.32Å; D215-G268 PolarHBondContact N-O 2.78Å; G268-Y405 VanDerWaalsContact C-OH 3.29Å; G268-Y405 PolarHBondContact N-OH 3.18Å; G268-Y405 PolarHBondContact O-OH 2.88Å
269N79.3Confident78Confident21 Ų2136.2 Ų36.211%0.11218%0.181CC..  trans-103.3167.7178.964.728.8000113.7D215 A271 A272 M279 T281 Y405D215-N269 HydrophobicContact CB-CB 3.69Å; D215-N269 WeakPolarHBondContact OD2-CB 3.45Å; D215-N269 PolarHBondContact OD2-ND2 2.67Å; N269-A271 PolarHBondContact O-N 3.37Å; N269-A271 VanDerWaalsContact O-N 3.13Å; N269-A271 WeakPolarHBondContact OD1-CA 3.05Å; N269-A271 WeakPolarHBondContact OD1-CB 3.42Å; N269-A271 PolarHBondContact OD1-N 2.98Å; N269-A271 VanDerWaalsContact OD1-N 3.07Å; N269-A272 VanDerWaalsContact O-CB 3.23Å; N269-A272 WeakPolarHBondContact O-CB 3.22Å; N269-A272 PolarHBondContact O-N 3.25Å; N269-A272 PolarHBondContact OD1-N 2.9Å; N269-M279 PolarHBondContact ND2-O 3.32Å; N269-T281 PolarHBondContact N-OG1 2.92Å; N269-T281 PolarHBondContact ND2-OG1 3.35Å; N269-T281 PolarHBondContact OD1-OG1 3.13Å; N269-Y405 WeakPolarHBondContact O-CE2 3.22Å
270I70.2Confident76.9Confident35 Ų3534.5 Ų34.518%0.17917%0.17CC..G310 helixtrans-59-23.6176.562.4169.5000113.2F143 A272 P398 I401 Y405F143-I270 HydrophobicContact CB-CG2 4.5Å; F143-I270 HydrophobicContact CD2-CG2 3.9Å; F143-I270 HydrophobicContact CE2-CG2 4.22Å; F143-I270 HydrophobicContact CG-CG2 4.14Å; I270-A272 PolarHBondContact O-N 3.19Å; I270-A272 VanDerWaalsContact O-N 3.09Å; I270-P398 HydrophobicContact CD1-CB 3.98Å; I270-I401 HydrophobicContact CB-CG2 4.21Å; I270-I401 WeakPolarHBondContact O-CG2 3.36Å; I270-Y405 HydrophobicContact CB-CG 4.43Å; I270-Y405 HydrophobicContact CG2-CD1 4Å; I270-Y405 HydrophobicContact CG2-CG 4.03Å
271A65.2Low76.2Confident7 Ų727.7 Ų27.76%0.05814%0.14CC..G310 helixtrans-75.710.6176.100000113.1N269 D273 T274 M279N269-A271 PolarHBondContact O-N 3.37Å; N269-A271 VanDerWaalsContact O-N 3.13Å; N269-A271 WeakPolarHBondContact OD1-CA 3.05Å; N269-A271 WeakPolarHBondContact OD1-CB 3.42Å; N269-A271 PolarHBondContact OD1-N 2.98Å; N269-A271 VanDerWaalsContact OD1-N 3.07Å; A271-D273 PolarHBondContact O-N 3.23Å; A271-D273 VanDerWaalsContact O-N 3.15Å; A271-T274 HydrophobicContact CB-CG2 4.07Å; A271-T274 WeakPolarHBondContact O-CB 2.83Å; A271-T274 PolarHBondContact O-N 3.32Å; A271-T274 PolarHBondContact O-OG1 2.86Å; A271-M279 HydrophobicContact CB-CB 4.14Å
272A55.5Low75.9Confident2 Ų224 Ų242%0.01711%0.114CC..G310 helixtrans-59.4-16.1171.600000114N269 I270 P309 Y405N269-A272 VanDerWaalsContact O-CB 3.23Å; N269-A272 WeakPolarHBondContact O-CB 3.22Å; N269-A272 PolarHBondContact O-N 3.25Å; N269-A272 PolarHBondContact OD1-N 2.9Å; I270-A272 PolarHBondContact O-N 3.19Å; I270-A272 VanDerWaalsContact O-N 3.09Å; A272-P309 HydrophobicContact CB-CB 4.43Å; A272-P309 HydrophobicContact CB-CG 4.12Å; A272-Y405 HydrophobicContact CB-CD2 4.29Å; A272-Y405 HydrophobicContact CB-CE2 4.08Å
273D55.8Low75.5Confident2 Ų224 Ų241%0.01111%0.114CC..G310 helixtrans-87.2-10.3172.386.5-43.2000113.6A271 P309 R313 R396 L404A271-D273 PolarHBondContact O-N 3.23Å; A271-D273 VanDerWaalsContact O-N 3.15Å; D273-P309 HydrophobicContact CB-CB 3.97Å; D273-R313 PolarHBondContact O-NH1 3.07Å; D273-R313 IonicContact OD2-NH1 2.73Å; D273-R313 PolarHBondContact OD2-NH1 3.25Å; D273-R396 IonicContact OD2-NH1 2.76Å; D273-R396 PolarHBondContact OD2-NH1 3.33Å; D273-L404 HydrophobicContact CB-CD2 4.04Å
274T61.3Low75.3Confident16 Ų1621.1 Ų21.110%0.09811%0.106CC..  trans-89148.6-17975.60000111.1A271 F276 T280A271-T274 HydrophobicContact CB-CG2 4.07Å; A271-T274 WeakPolarHBondContact O-CB 2.83Å; A271-T274 PolarHBondContact O-N 3.32Å; A271-T274 PolarHBondContact O-OG1 2.86Å; T274-F276 VanDerWaalsContact C-N 3.33Å; T274-F276 HydrophobicContact CG2-CD2 4.47Å; T274-T280 PolarHBondContact O-OG1 3.24Å
275F57.1Low75Confident33 Ų3324.2 Ų24.215%0.14512%0.12CC..  trans-95.78.7171.8-68.8-86.6000112M277 L310 V342 L386 L389 R390 N393F275-M277 PolarHBondContact O-N 3.1Å; F275-L310 HydrophobicContact CD2-CD1 4.29Å; F275-L310 HydrophobicContact CE1-CD1 3.84Å; F275-L310 HydrophobicContact CE1-CD2 4.04Å; F275-L310 HydrophobicContact CE1-CG 4.43Å; F275-L310 HydrophobicContact CE2-CD1 3.55Å; F275-L310 HydrophobicContact CZ-CD1 3.32Å; F275-L310 HydrophobicContact CZ-CD2 4.26Å; F275-L310 HydrophobicContact CZ-CG 4.15Å; F275-V342 HydrophobicContact CE1-CB 4.45Å; F275-L386 HydrophobicContact CE1-CD1 3.49Å; F275-L386 VanDerWaalsContact CE1-CD1 3.49Å; F275-L386 HydrophobicContact CZ-CD1 3.45Å; F275-L386 VanDerWaalsContact CZ-CD1 3.45Å; F275-L389 HydrophobicContact CE2-CB 3.74Å; F275-L389 HydrophobicContact CZ-CB 4.27Å; F275-R390 HydrophobicContact CB-CB 4.46Å; F275-R390 HydrophobicContact CB-CG 3.71Å; F275-R390 HydrophobicContact CD1-CG 3.92Å; F275-R390 HydrophobicContact CD2-CB 4.4Å; F275-R390 HydrophobicContact CD2-CG 3.73Å; F275-R390 HydrophobicContact CE1-CG 4.43Å; F275-R390 HydrophobicContact CE2-CG 4.29Å; F275-R390 HydrophobicContact CG-CB 4.49Å; F275-R390 HydrophobicContact CG-CG 3.51Å; F275-N393 PolarHBondContact N-ND2 3.35Å
276F61.4Low74.8Confident83 Ų8324.3 Ų24.336%0.36412%0.12SC..  trans-75.4104.9178.5-68.4-59.7000108.8T274 E278 M279 T280 N393T274-F276 VanDerWaalsContact C-N 3.33Å; T274-F276 HydrophobicContact CG2-CD2 4.47Å; F276-E278 PolarHBondContact O-N 2.68Å; F276-M279 HydrophobicContact CB-CG 4.48Å; F276-M279 PolarHBondContact O-N 2.68Å; F276-T280 PolarHBondContact O-N 3.37Å; F276-T280 PolarHBondContact O-OG1 3Å; F276-N393 HydrophobicContact CD2-CB 4.1Å; F276-N393 HydrophobicContact CE2-CB 3.37Å; F276-N393 HydrophobicContact CZ-CB 3.76Å
277M55.9Low74.7Confident84 Ų8424.1 Ų24.141%0.41412%0.119SC..THydrogen-bonded Turntrans-54.4-22.5178.6-68.4-172.558.200112.3F275 M279 G339F275-M277 PolarHBondContact O-N 3.1Å; M277-M279 VanDerWaalsContact C-N 3.31Å; M277-G339 WeakPolarHBondContact CG-O 3.49Å
278E62.4Low74.7Confident87 Ų8727.3 Ų27.341%0.40714%0.139SC..THydrogen-bonded Turntrans-69.6-29.5179.8-61.676.7-169.100113.4R219 F276R219-E278 WeakPolarHBondContact CD-O 3.41Å; R219-E278 PolarHBondContact NH1-O 2.96Å; F276-E278 PolarHBondContact O-N 2.68Å
279M66.6Low75.2Confident40 Ų4027.6 Ų27.620%0.19714%0.14CC..THydrogen-bonded Turntrans-119.3-28.9-169.6-54.7-177.274.600113F224 W233 N269 A271 F276 M277 T281F224-M279 HydrophobicContact CD2-CE 4.46Å; F224-M279 HydrophobicContact CE1-CE 3.82Å; F224-M279 HydrophobicContact CE2-CE 3.6Å; F224-M279 HydrophobicContact CZ-CE 3.23Å; W233-M279 HydrophobicContact CH2-CE 4.33Å; W233-M279 HydrophobicContact CH2-CG 4.22Å; W233-M279 HydrophobicContact CZ2-CE 4.46Å; W233-M279 HydrophobicContact CZ2-CG 4.12Å; W233-M279 HydrophobicContact CZ2-SD 4.47Å; N269-M279 PolarHBondContact ND2-O 3.32Å; A271-M279 HydrophobicContact CB-CB 4.14Å; F276-M279 HydrophobicContact CB-CG 4.48Å; F276-M279 PolarHBondContact O-N 2.68Å; M277-M279 VanDerWaalsContact C-N 3.31Å; M279-T281 PolarHBondContact O-N 3.22Å
280T73.7Confident75.9Confident2 Ų226.6 Ų26.61%0.01214%0.135CC..SBendtrans-62123.5-179.1-49.30000110.1T274 F276 L338T274-T280 PolarHBondContact O-OG1 3.24Å; F276-T280 PolarHBondContact O-N 3.37Å; F276-T280 PolarHBondContact O-OG1 3Å; T280-L338 HydrophobicContact CG2-CG 3.98Å
281T79.4Confident77.1Confident1 Ų126.2 Ų26.21%0.00613%0.132CC..  trans-57130.1172.6-51.60000110.2N269 M279 T283N269-T281 PolarHBondContact N-OG1 2.92Å; N269-T281 PolarHBondContact ND2-OG1 3.35Å; N269-T281 PolarHBondContact OD1-OG1 3.13Å; M279-T281 PolarHBondContact O-N 3.22Å; T281-T283 PolarHBondContact O-N 2.84Å; T281-T283 PolarHBondContact O-OG1 3.13Å
282P87.7Confident78.5Confident2 Ų234.9 Ų34.91%0.01316%0.163CC..  trans-77.162.1178.733.9-37.5000110.5W239 L240 C284 F285 D286W239-P282 VanDerWaalsContact CH2-CD 3.44Å; W239-P282 HydrophobicContact CH2-CG 4.31Å; L240-P282 HydrophobicContact CD2-CB 4.04Å; L240-P282 HydrophobicContact CD2-CG 3.71Å; P282-C284 PolarHBondContact O-N 3.49Å; P282-C284 VanDerWaalsContact O-N 3.1Å; P282-F285 HydrophobicContact CB-CB 4.01Å; P282-F285 HydrophobicContact CG-CB 4.5Å; P282-F285 WeakPolarHBondContact O-CA 3.39Å; P282-F285 WeakPolarHBondContact O-CB 3.12Å; P282-F285 PolarHBondContact O-N 3.48Å; P282-D286 PolarHBondContact O-N 3.34Å
283T89.8Confident80.4Confident1 Ų139 Ų391%0.00618%0.179CC..Hα-helixtrans-55.7-36-171.3-53.30000112.8L266 T281 F285 D286 V287 V431L266-T283 HydrophobicContact CB-CG2 4.13Å; L266-T283 WeakPolarHBondContact O-CG2 3.41Å; T281-T283 PolarHBondContact O-N 2.84Å; T281-T283 PolarHBondContact O-OG1 3.13Å; T283-F285 VanDerWaalsContact C-N 3.29Å; T283-F285 PolarHBondContact O-N 3.16Å; T283-D286 PolarHBondContact O-N 2.86Å; T283-V287 HydrophobicContact CG2-CG2 4.23Å; T283-V287 WeakPolarHBondContact O-CB 3.31Å; T283-V287 VanDerWaalsContact O-CG2 3.26Å; T283-V287 WeakPolarHBondContact O-CG2 3.34Å; T283-V287 PolarHBondContact O-N 3.4Å; T283-V431 HydrophobicContact CG2-CB 4.42Å; T283-V431 HydrophobicContact CG2-CG2 4.29Å
284C90.6Very high82.4Confident21 Ų2139 Ų3914%0.14218%0.178CC..Hα-helixtrans-59.9-38.9174.5-60.80000112.5P282 T288 N337 L338 V431P282-C284 PolarHBondContact O-N 3.49Å; P282-C284 VanDerWaalsContact O-N 3.1Å; C284-T288 VanDerWaalsContact O-CB 3.32Å; C284-T288 WeakPolarHBondContact O-CB 3.23Å; C284-T288 PolarHBondContact O-N 2.79Å; C284-T288 PolarHBondContact O-OG1 3.05Å; C284-N337 WeakPolarHBondContact CB-OD1 3.49Å; C284-L338 PolarHBondContact SG-N 3.29Å; C284-L338 VanDerWaalsContact SG-N 3.37Å; C284-V431 HydrophobicContact CB-CG1 4.15Å; C284-V431 VanDerWaalsContact SG-CG1 3.55Å
285F91.3Very high83.9Confident64 Ų6445.2 Ų45.228%0.28120%0.204SC..Hα-helixtrans-66.4-43.7176.6177-95.2000111.3L240 R243 F244 P282 T283 T288 T289L240-F285 HydrophobicContact CB-CZ 4.23Å; L240-F285 HydrophobicContact CD2-CD1 3.94Å; L240-F285 HydrophobicContact CD2-CD2 4.31Å; L240-F285 HydrophobicContact CD2-CE1 4.07Å; L240-F285 HydrophobicContact CD2-CE2 4.43Å; L240-F285 HydrophobicContact CD2-CG 4.04Å; L240-F285 HydrophobicContact CD2-CZ 4.29Å; L240-F285 WeakPolarHBondContact O-CE1 3.4Å; L240-F285 WeakPolarHBondContact O-CZ 3.46Å; R243-F285 HydrophobicContact CB-CE1 4.1Å; F244-F285 HydrophobicContact CB-CE1 4.15Å; F244-F285 HydrophobicContact CB-CZ 3.88Å; F244-F285 HydrophobicContact CD2-CZ 4.49Å; P282-F285 HydrophobicContact CB-CB 4.01Å; P282-F285 HydrophobicContact CG-CB 4.5Å; P282-F285 WeakPolarHBondContact O-CA 3.39Å; P282-F285 WeakPolarHBondContact O-CB 3.12Å; P282-F285 PolarHBondContact O-N 3.48Å; T283-F285 VanDerWaalsContact C-N 3.29Å; T283-F285 PolarHBondContact O-N 3.16Å; F285-T288 PolarHBondContact O-N 2.9Å; F285-T289 WeakPolarHBondContact O-CB 3.35Å; F285-T289 PolarHBondContact O-N 3.03Å; F285-T289 PolarHBondContact O-OG1 2.95Å
286D93.3Very high85.6Confident2 Ų247.4 Ų47.41%0.01124%0.236CC..Hα-helixtrans-66.5-46.3-179.7-55.2-32.7000111.3R243 F247 L266 P282 T283 T288 T289 L290R243-D286 IonicContact CZ-OD1 2.8Å; R243-D286 IonicContact CZ-OD2 2.98Å; R243-D286 IonicContact NE-OD1 3.54Å; R243-D286 PolarHBondContact NE-OD1 2.92Å; R243-D286 IonicContact NE-OD2 2.67Å; R243-D286 PolarHBondContact NE-OD2 3.36Å; R243-D286 IonicContact NH2-OD1 3.53Å; R243-D286 IonicContact NH2-OD2 2.7Å; R243-D286 PolarHBondContact NH2-OD2 3.12Å; F247-D286 HydrophobicContact CD1-CB 4.38Å; F247-D286 HydrophobicContact CD2-CB 3.93Å; F247-D286 WeakPolarHBondContact CD2-OD1 3.3Å; F247-D286 HydrophobicContact CE1-CB 4.15Å; F247-D286 HydrophobicContact CE2-CB 3.68Å; F247-D286 WeakPolarHBondContact CE2-OD1 2.95Å; F247-D286 HydrophobicContact CG-CB 4.29Å; F247-D286 HydrophobicContact CZ-CB 3.8Å; L266-D286 HydrophobicContact CD2-CB 4.08Å; P282-D286 PolarHBondContact O-N 3.34Å; T283-D286 PolarHBondContact O-N 2.86Å; D286-T288 VanDerWaalsContact C-N 3.29Å; D286-T288 PolarHBondContact O-N 3.21Å; D286-T289 PolarHBondContact O-N 3.46Å; D286-L290 WeakPolarHBondContact O-CB 3.29Å; D286-L290 PolarHBondContact O-N 3.27Å
287V93.9Very high87.3Confident1 Ų146.3 Ų46.31%0.00623%0.231CC..Hα-helixtrans-56.8-44.5174.8170.50000110.4L266 T283 H291 I303 V431 I433L266-V287 HydrophobicContact CB-CG2 4.2Å; L266-V287 HydrophobicContact CD1-CB 4.08Å; L266-V287 HydrophobicContact CD1-CG2 3.41Å; L266-V287 VanDerWaalsContact CD1-CG2 3.41Å; L266-V287 HydrophobicContact CG-CG2 4.43Å; T283-V287 HydrophobicContact CG2-CG2 4.23Å; T283-V287 WeakPolarHBondContact O-CB 3.31Å; T283-V287 VanDerWaalsContact O-CG2 3.26Å; T283-V287 WeakPolarHBondContact O-CG2 3.34Å; T283-V287 PolarHBondContact O-N 3.4Å; V287-H291 WeakPolarHBondContact O-CB 3.45Å; V287-H291 PolarHBondContact O-N 3.12Å; V287-I303 HydrophobicContact CG1-CG2 4.37Å; V287-V431 HydrophobicContact CB-CG1 4.24Å; V287-V431 HydrophobicContact CG2-CB 4.46Å; V287-V431 HydrophobicContact CG2-CG1 3.88Å; V287-I433 HydrophobicContact CG1-CD1 4.18Å; V287-I433 HydrophobicContact CG1-CG1 4.02Å
288T93.4Very high89.1Confident66 Ų6642.5 Ų42.541%0.40521%0.212SC..Hα-helixtrans-64.6-45.2179.3-59.10000112.4C284 F285 D286 R292 I433C284-T288 VanDerWaalsContact O-CB 3.32Å; C284-T288 WeakPolarHBondContact O-CB 3.23Å; C284-T288 PolarHBondContact O-N 2.79Å; C284-T288 PolarHBondContact O-OG1 3.05Å; F285-T288 PolarHBondContact O-N 2.9Å; D286-T288 VanDerWaalsContact C-N 3.29Å; D286-T288 PolarHBondContact O-N 3.21Å; T288-R292 VanDerWaalsContact O-CB 3.3Å; T288-R292 WeakPolarHBondContact O-CB 3.17Å; T288-R292 PolarHBondContact O-N 2.65Å; T288-I433 HydrophobicContact CG2-CD1 4.37Å
289T95Very high90.6Very high9 Ų940.9 Ų40.96%0.05521%0.209CC..Hα-helixtrans-62.6-48.6179.3-58.80000110.4F244 F247 D248 F285 D286 R292 R293F244-T289 HydrophobicContact CD2-CG2 3.68Å; F244-T289 HydrophobicContact CE2-CG2 3.96Å; F247-T289 HydrophobicContact CB-CG2 3.72Å; D248-T289 HydrophobicContact CB-CG2 4.41Å; F285-T289 WeakPolarHBondContact O-CB 3.35Å; F285-T289 PolarHBondContact O-N 3.03Å; F285-T289 PolarHBondContact O-OG1 2.95Å; D286-T289 PolarHBondContact O-N 3.46Å; T289-R292 PolarHBondContact O-N 3.33Å; T289-R293 PolarHBondContact O-N 3.36Å; T289-R293 VanDerWaalsContact O-N 3.16Å
290L95.4Very high91.8Very high0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-64.8-43.9-179.4-164.670.5000111.8I213 L250 G251 M254 V264 L266 D286 R293 T294 I303I213-L290 HydrophobicContact CD1-CD2 4.34Å; L250-L290 HydrophobicContact CG-CD1 4.43Å; G251-L290 VanDerWaalsContact CA-CD1 3.48Å; M254-L290 HydrophobicContact SD-CD1 3.83Å; M254-L290 HydrophobicContact SD-CD2 4.05Å; M254-L290 HydrophobicContact SD-CG 4.39Å; V264-L290 HydrophobicContact CG1-CD2 3.89Å; L266-L290 HydrophobicContact CD1-CD2 4.18Å; D286-L290 WeakPolarHBondContact O-CB 3.29Å; D286-L290 PolarHBondContact O-N 3.27Å; L290-R293 PolarHBondContact O-N 3.36Å; L290-T294 HydrophobicContact CG-CG2 4.39Å; L290-T294 WeakPolarHBondContact O-CB 3.37Å; L290-T294 VanDerWaalsContact O-CG2 3.29Å; L290-T294 WeakPolarHBondContact O-CG2 3.39Å; L290-T294 PolarHBondContact O-N 3.14Å; L290-T294 PolarHBondContact O-OG1 2.98Å; L290-I303 HydrophobicContact CD2-CD1 4.34Å; L290-I303 HydrophobicContact CD2-CG2 3.95Å; L290-I303 HydrophobicContact CG-CD1 4.37Å
291H94.4Very high92.6Very high28 Ų2844.5 Ų44.513%0.1324%0.242CC..Hα-helixtrans-63.2-44.7178-177.153.7000112.3V287 R293 T294 K295 P300 I433V287-H291 WeakPolarHBondContact O-CB 3.45Å; V287-H291 PolarHBondContact O-N 3.12Å; H291-R293 PolarHBondContact O-N 2.9Å; H291-T294 PolarHBondContact O-N 2.98Å; H291-T294 PolarHBondContact O-OG1 3.17Å; H291-K295 PolarHBondContact O-N 3.22Å; H291-P300 WeakPolarHBondContact CE1-CB 3.32Å; H291-P300 WeakPolarHBondContact CE1-CG 3.41Å; H291-I433 HydrophobicContact CB-CD1 4.08Å; H291-I433 HydrophobicContact CB-CG1 3.71Å
292R94.9Very high93.3Very high189 Ų18946.6 Ų46.671%0.71325%0.252SS*.Hα-helixtrans-56.4-42.5177.9-178.7178.6179171.8-0110.9T288 T289 K295T288-R292 VanDerWaalsContact O-CB 3.3Å; T288-R292 WeakPolarHBondContact O-CB 3.17Å; T288-R292 PolarHBondContact O-N 2.65Å; T289-R292 PolarHBondContact O-N 3.33Å; R292-K295 WeakPolarHBondContact O-CB 3.45Å
293R96.2Very high93.7Very high89 Ų8946.5 Ų46.534%0.33625%0.251SS..Hα-helixtrans-75.8-36.6-177.9-16956.963.1171.1-0.5113.3D248 Q252 K255 T289 L290 H291 K295D248-R293 IonicContact OD1-CZ 3.73Å; D248-R293 IonicContact OD1-NE 3.41Å; D248-R293 PolarHBondContact OD1-NE 3.11Å; D248-R293 IonicContact OD1-NH2 2.79Å; D248-R293 PolarHBondContact OD1-NH2 3Å; D248-R293 IonicContact OD2-CZ 2.92Å; D248-R293 VanDerWaalsContact OD2-CZ 3.27Å; D248-R293 IonicContact OD2-NE 3.33Å; D248-R293 PolarHBondContact OD2-NE 2.78Å; D248-R293 IonicContact OD2-NH2 3.04Å; D248-R293 PolarHBondContact OD2-NH2 2.84Å; Q252-R293 HydrophobicContact CB-CG 4.45Å; Q252-R293 HydrophobicContact CG-CG 3.77Å; Q252-R293 VanDerWaalsContact N-CG 3.35Å; K255-R293 WeakPolarHBondContact CD-O 3.42Å; T289-R293 PolarHBondContact O-N 3.36Å; T289-R293 VanDerWaalsContact O-N 3.16Å; L290-R293 PolarHBondContact O-N 3.36Å; H291-R293 PolarHBondContact O-N 2.9Å; R293-K295 VanDerWaalsContact C-N 3.32Å
294T96.5Very high93.9Very high0 Ų046.7 Ų46.70%025%0.252CS..Hα-helixtrans-85.9-1.4-178.958.70000113.9G251 M254 L290 H291 G296 K297 I298 I303G251-T294 WeakPolarHBondContact O-CG2 3.41Å; M254-T294 HydrophobicContact CB-CG2 4.15Å; L290-T294 HydrophobicContact CG-CG2 4.39Å; L290-T294 WeakPolarHBondContact O-CB 3.37Å; L290-T294 VanDerWaalsContact O-CG2 3.29Å; L290-T294 WeakPolarHBondContact O-CG2 3.39Å; L290-T294 PolarHBondContact O-N 3.14Å; L290-T294 PolarHBondContact O-OG1 2.98Å; H291-T294 PolarHBondContact O-N 2.98Å; H291-T294 PolarHBondContact O-OG1 3.17Å; T294-G296 PolarHBondContact O-N 3.41Å; T294-K297 PolarHBondContact O-N 3Å; T294-I298 HydrophobicContact CG2-CD1 3.9Å; T294-I298 PolarHBondContact O-N 3.5Å; T294-I303 VanDerWaalsContact OG1-CD1 3.26Å; T294-I303 WeakPolarHBondContact OG1-CD1 3.44Å
295K93.5Very high94Very high147 Ų14745.7 Ų45.764%0.63925%0.245SC*.THydrogen-bonded Turntrans-47.8130.5177.4-171.2176.7-179.1178.40112K255 H291 R292 R293 K297K255-K295 PolarHBondContact NZ-O 3.03Å; H291-K295 PolarHBondContact O-N 3.22Å; R292-K295 WeakPolarHBondContact O-CB 3.45Å; R293-K295 VanDerWaalsContact C-N 3.32Å; K295-K297 VanDerWaalsContact C-N 3.32Å
296G92.9Very high94.1Very high79 Ų7942.6 Ų42.681%0.81423%0.232SC*.THydrogen-bonded Turntrans88.3-15-177.500000114.8T294T294-G296 PolarHBondContact O-N 3.41Å
297K95.6Very high94Very high60 Ų6042.9 Ų42.926%0.26123%0.234SC..THydrogen-bonded Turntrans-107.7-55.4176.6-179.679.3178.4-158.50112K255 C258 K260 T294 K295K255-K297 HydrophobicContact CG-CB 3.98Å; K255-K297 WeakPolarHBondContact O-CD 3.39Å; K255-K297 WeakPolarHBondContact O-CG 3.47Å; C258-K297 WeakPolarHBondContact O-CE 3.31Å; C258-K297 PolarHBondContact O-NZ 3.15Å; C258-K297 VanDerWaalsContact O-NZ 3.17Å; K260-K297 HydrophobicContact CG-CD 4.31Å; T294-K297 PolarHBondContact O-N 3Å; K295-K297 VanDerWaalsContact C-N 3.32Å
298I95.8Very high93.9Very high4 Ų442.9 Ų42.92%0.02123%0.234CC..SBendtrans-105.6123.7-176.9-55.7174.5000108.4M254 C258 V262 T294 Q302 I303M254-I298 HydrophobicContact CB-CD1 4.2Å; M254-I298 HydrophobicContact CE-CD1 4.37Å; C258-I298 HydrophobicContact CB-CD1 4.36Å; V262-I298 HydrophobicContact CG1-CD1 3.53Å; V262-I298 HydrophobicContact CG1-CG1 3.9Å; V262-I298 HydrophobicContact CG1-CG2 4.18Å; T294-I298 HydrophobicContact CG2-CD1 3.9Å; T294-I298 PolarHBondContact O-N 3.5Å; I298-Q302 HydrophobicContact CG2-CB 4.01Å; I298-I303 HydrophobicContact CB-CD1 4.31Å; I298-I303 HydrophobicContact CG2-CD1 3.96Å; I298-I303 HydrophobicContact CG2-CG1 3.87Å
299P93.3Very high93.7Very high53 Ų5339.8 Ų39.834%0.34422%0.215SC..  trans-59.3142.9175.2-27.937.8000112.6A301 Q302P299-A301 PolarHBondContact O-N 3.15Å; P299-Q302 VanDerWaalsContact CG-OE1 3.26Å; P299-Q302 WeakPolarHBondContact O-CB 3.3Å; P299-Q302 PolarHBondContact O-N 3.31Å
300P91.3Very high93.3Very high43 Ų4339.7 Ų39.728%0.27921%0.214SC..G310 helixtrans-56.6-35.6179.5-65.2000113.6H291 Q302 I303 I433H291-P300 WeakPolarHBondContact CE1-CB 3.32Å; H291-P300 WeakPolarHBondContact CE1-CG 3.41Å; P300-Q302 PolarHBondContact O-N 3.05Å; P300-Q302 VanDerWaalsContact O-N 3.15Å; P300-I303 PolarHBondContact O-N 3.39Å; P300-I303 VanDerWaalsContact O-N 3.12Å; P300-I433 HydrophobicContact CB-CB 4.44Å
301A90.5Very high93.1Very high75 Ų7539.7 Ų39.762%0.6221%0.214SC*.G310 helixtrans-66.2-13.3179.700000114P299P299-A301 PolarHBondContact O-N 3.15Å
302Q93.9Very high92.9Very high45 Ų4539.7 Ų39.721%0.2122%0.215CC..G310 helixtrans-93.7-5.5177.3-76.4168.7-132.900113.1K260 V262 V264 I298 P299 P300K260-Q302 PolarHBondContact O-NE2 3.28Å; K260-Q302 PolarHBondContact O-OE1 3.4Å; V262-Q302 WeakPolarHBondContact O-CB 3.48Å; V262-Q302 PolarHBondContact O-NE2 3.09Å; V264-Q302 PolarHBondContact N-O 3.3Å; I298-Q302 HydrophobicContact CG2-CB 4.01Å; P299-Q302 VanDerWaalsContact CG-OE1 3.26Å; P299-Q302 WeakPolarHBondContact O-CB 3.3Å; P299-Q302 PolarHBondContact O-N 3.31Å; P300-Q302 PolarHBondContact O-N 3.05Å; P300-Q302 VanDerWaalsContact O-N 3.15Å
303I95.5Very high92.6Very high1 Ų131.2 Ų31.21%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-116.2104.3176.5-56175.5000107.6V264 L266 V287 L290 T294 I298 P300V264-I303 HydrophobicContact CB-CG1 4.19Å; V264-I303 HydrophobicContact CB-CG2 4.4Å; V264-I303 HydrophobicContact CG2-CG1 4.12Å; L266-I303 HydrophobicContact CD1-CG2 3.99Å; V287-I303 HydrophobicContact CG1-CG2 4.37Å; L290-I303 HydrophobicContact CD2-CD1 4.34Å; L290-I303 HydrophobicContact CD2-CG2 3.95Å; L290-I303 HydrophobicContact CG-CD1 4.37Å; T294-I303 VanDerWaalsContact OG1-CD1 3.26Å; T294-I303 WeakPolarHBondContact OG1-CD1 3.44Å; I298-I303 HydrophobicContact CB-CD1 4.31Å; I298-I303 HydrophobicContact CG2-CD1 3.96Å; I298-I303 HydrophobicContact CG2-CG1 3.87Å; P300-I303 PolarHBondContact O-N 3.39Å; P300-I303 VanDerWaalsContact O-N 3.12Å
304V94.4Very high92.3Very high4 Ų427.1 Ų27.12%0.02417%0.167CC..EExtended strand (participates in β ladder)trans-123.4149.3-178-56.20000109.9V264 L265 L266 W417 V431 M432V264-V304 PolarHBondContact O-N 3.46Å; L265-V304 CarbonylContact C-O 3.55Å; L265-V304 WeakPolarHBondContact CA-O 3.18Å; L265-V304 HydrophobicContact CD1-CG2 3.98Å; L266-V304 PolarHBondContact N-O 3.07Å; V304-W417 HydrophobicContact CG2-CH2 4Å; V304-W417 HydrophobicContact CG2-CZ2 3.82Å; V304-V431 CarbonylContact C-O 3.51Å; V304-V431 WeakPolarHBondContact CA-O 3.48Å; V304-M432 HydrophobicContact CG1-CG 3.99Å; V304-M432 HydrophobicContact CG1-SD 4.14Å
305G93.4Very high92.1Very high0 Ų027.9 Ų27.90%017%0.17CC..EExtended strand (participates in β ladder)trans-111.4148.6172.300000112.1L266 V431L266-G305 CarbonylContact O-C 3.53Å; L266-G305 VanDerWaalsContact O-CA 3.26Å; L266-G305 WeakPolarHBondContact O-CA 3.49Å; G305-V431 PolarHBondContact N-O 3.47Å; G305-V431 WeakPolarHBondContact O-CB 3.41Å; G305-V431 PolarHBondContact O-N 2.94Å
306L93.4Very high92.1Very high0 Ų022.7 Ų22.70%016%0.155CC..  trans-77.3127.8-178.2-17072.7000110.9L265 L266 A267 K308 P309 Y405 M409 C412L265-L306 HydrophobicContact CD1-CB 4.25Å; L266-L306 PolarHBondContact O-N 3.28Å; A267-L306 HydrophobicContact CB-CB 4.37Å; A267-L306 HydrophobicContact CB-CD2 4.1Å; L306-K308 HydrophobicContact CD1-CB 3.77Å; L306-K308 HydrophobicContact CG-CB 4.42Å; L306-P309 HydrophobicContact CD2-CG 4.11Å; L306-Y405 HydrophobicContact CD2-CD2 4.34Å; L306-Y405 HydrophobicContact CD2-CE2 3.8Å; L306-M409 HydrophobicContact CD2-CG 3.67Å; L306-C412 HydrophobicContact CD1-CB 3.52Å
307V91Very high92Very high7 Ų720 Ų204%0.04213%0.125CC..  trans-127.8-0.4167.864.20000111.9P309 L310 E311 I334 L338 S429 V431V307-P309 VanDerWaalsContact C-CD 3.42Å; V307-L310 HydrophobicContact CG2-CB 4.25Å; V307-L310 HydrophobicContact CG2-CD2 4.45Å; V307-L310 WeakPolarHBondContact O-CB 3.23Å; V307-L310 PolarHBondContact O-N 3.36Å; V307-E311 PolarHBondContact O-N 3.43Å; V307-I334 HydrophobicContact CG2-CB 4.16Å; V307-I334 HydrophobicContact CG2-CD1 3.98Å; V307-I334 HydrophobicContact CG2-CG2 3.87Å; V307-L338 HydrophobicContact CG2-CD1 4.02Å; V307-S429 WeakPolarHBondContact CG1-O 3.09Å; V307-V431 HydrophobicContact CB-CG2 4.17Å
308K91.4Very high91.9Very high2 Ų217.1 Ų17.11%0.00911%0.113CC..Hα-helixtrans-57.3-35.6-173.1-164.269.4165.7-169.80114.7L306 L310 E311 L312 A408 E415 T428L306-K308 HydrophobicContact CD1-CB 3.77Å; L306-K308 HydrophobicContact CG-CB 4.42Å; K308-L310 VanDerWaalsContact C-N 3.29Å; K308-L310 PolarHBondContact O-N 2.88Å; K308-E311 HydrophobicContact CD-CB 4.4Å; K308-E311 IonicContact NZ-OE1 2.64Å; K308-E311 PolarHBondContact NZ-OE1 2.96Å; K308-E311 IonicContact NZ-OE2 2.77Å; K308-E311 WeakPolarHBondContact O-CB 3.31Å; K308-E311 PolarHBondContact O-N 3.46Å; K308-E311 VanDerWaalsContact O-N 3.14Å; K308-L312 HydrophobicContact CG-CD1 4.29Å; K308-L312 HydrophobicContact CG-CG 4.27Å; K308-L312 WeakPolarHBondContact O-CB 3.45Å; K308-L312 WeakPolarHBondContact O-CG 3.42Å; K308-L312 PolarHBondContact O-N 2.92Å; K308-A408 HydrophobicContact CB-CB 3.93Å; K308-A408 HydrophobicContact CG-CB 4.03Å; K308-E415 WeakPolarHBondContact CE-OE1 3.48Å; K308-E415 WeakPolarHBondContact CE-OE2 3.26Å; K308-E415 IonicContact NZ-OE1 3.27Å; K308-E415 PolarHBondContact NZ-OE1 2.99Å; K308-E415 IonicContact NZ-OE2 3.48Å; K308-E415 PolarHBondContact NZ-OE2 2.81Å; K308-T428 PolarHBondContact NZ-OG1 3.43Å; K308-T428 VanDerWaalsContact NZ-OG1 3.1Å
309P89.5Confident91.7Very high1 Ų117 Ų171%0.00611%0.112CC..Hα-helixtrans-57.1-42173.6-26.134.9000113A272 D273 L306 V307 R313 L404 Y405 A408A272-P309 HydrophobicContact CB-CB 4.43Å; A272-P309 HydrophobicContact CB-CG 4.12Å; D273-P309 HydrophobicContact CB-CB 3.97Å; L306-P309 HydrophobicContact CD2-CG 4.11Å; V307-P309 VanDerWaalsContact C-CD 3.42Å; P309-R313 WeakPolarHBondContact O-CB 3.18Å; P309-R313 PolarHBondContact O-N 3.1Å; P309-R313 VanDerWaalsContact O-N 3.07Å; P309-L404 HydrophobicContact CB-CD2 4.48Å; P309-L404 HydrophobicContact CB-CG 4.48Å; P309-Y405 HydrophobicContact CG-CD2 3.97Å; P309-A408 HydrophobicContact CB-CB 4.45Å; P309-A408 HydrophobicContact CG-CB 3.66Å
310L86.9Confident91.6Very high6 Ų623 Ų233%0.03113%0.133CC..Hα-helixtrans-68.6-37.7177.4-165.359.6000111.7F275 V307 K308 R313 A314 I334 L338 V342F275-L310 HydrophobicContact CD2-CD1 4.29Å; F275-L310 HydrophobicContact CE1-CD1 3.84Å; F275-L310 HydrophobicContact CE1-CD2 4.04Å; F275-L310 HydrophobicContact CE1-CG 4.43Å; F275-L310 HydrophobicContact CE2-CD1 3.55Å; F275-L310 HydrophobicContact CZ-CD1 3.32Å; F275-L310 HydrophobicContact CZ-CD2 4.26Å; F275-L310 HydrophobicContact CZ-CG 4.15Å; V307-L310 HydrophobicContact CG2-CB 4.25Å; V307-L310 HydrophobicContact CG2-CD2 4.45Å; V307-L310 WeakPolarHBondContact O-CB 3.23Å; V307-L310 PolarHBondContact O-N 3.36Å; K308-L310 VanDerWaalsContact C-N 3.29Å; K308-L310 PolarHBondContact O-N 2.88Å; L310-R313 PolarHBondContact O-N 2.73Å; L310-A314 PolarHBondContact O-N 3.22Å; L310-I334 VanDerWaalsContact C-CD1 3.48Å; L310-I334 HydrophobicContact CB-CD1 3.7Å; L310-I334 HydrophobicContact CD2-CD1 4.01Å; L310-I334 HydrophobicContact CD2-CG2 4.25Å; L310-I334 HydrophobicContact CG-CD1 3.68Å; L310-L338 HydrophobicContact CD2-CD1 3.9Å; L310-V342 HydrophobicContact CD2-CG1 4.08Å; L310-V342 HydrophobicContact CD2-CG2 4.39Å
311E90.4Very high91.5Very high0 Ų023.3 Ų23.30%013%0.131CC..Hα-helixtrans-64.2-49.5176.1-169.2-167.1125.500111.5V307 K308 R313 A314 R315 V332 I334 S429V307-E311 PolarHBondContact O-N 3.43Å; K308-E311 HydrophobicContact CD-CB 4.4Å; K308-E311 IonicContact NZ-OE1 2.64Å; K308-E311 PolarHBondContact NZ-OE1 2.96Å; K308-E311 IonicContact NZ-OE2 2.77Å; K308-E311 WeakPolarHBondContact O-CB 3.31Å; K308-E311 PolarHBondContact O-N 3.46Å; K308-E311 VanDerWaalsContact O-N 3.14Å; E311-R313 VanDerWaalsContact C-N 3.25Å; E311-R313 PolarHBondContact O-N 2.53Å; E311-A314 PolarHBondContact O-N 3.32Å; E311-A314 VanDerWaalsContact O-N 3.12Å; E311-R315 WeakPolarHBondContact O-CG 3.42Å; E311-R315 PolarHBondContact O-N 2.88Å; E311-R315 IonicContact OE1-CZ 3.43Å; E311-R315 IonicContact OE1-NE 2.76Å; E311-R315 PolarHBondContact OE1-NE 2.98Å; E311-R315 IonicContact OE1-NH2 3.23Å; E311-R315 PolarHBondContact OE1-NH2 3.12Å; E311-V332 HydrophobicContact CG-CB 4.38Å; E311-I334 VanDerWaalsContact CA-CD1 3.45Å; E311-I334 HydrophobicContact CB-CD1 3.86Å; E311-S429 VanDerWaalsContact OE2-CB 3.23Å; E311-S429 WeakPolarHBondContact OE2-CB 3.36Å; E311-S429 PolarHBondContact OE2-N 2.68Å; E311-S429 PolarHBondContact OE2-OG 2.59Å
312L91Very high91.3Very high29 Ų2919.9 Ų19.915%0.15210%0.102CC..Hα-helixtrans-60.8-37.3177.9-70.9176.1000111.5K308 R315 A316 L404 A408K308-L312 HydrophobicContact CG-CD1 4.29Å; K308-L312 HydrophobicContact CG-CG 4.27Å; K308-L312 WeakPolarHBondContact O-CB 3.45Å; K308-L312 WeakPolarHBondContact O-CG 3.42Å; K308-L312 PolarHBondContact O-N 2.92Å; L312-R315 PolarHBondContact O-N 3.41Å; L312-A316 WeakPolarHBondContact O-CB 3.39Å; L312-A316 PolarHBondContact O-N 3.34Å; L312-L404 HydrophobicContact CB-CD1 3.94Å; L312-L404 HydrophobicContact CD1-CD1 3.7Å; L312-L404 HydrophobicContact CG-CD1 4.5Å; L312-A408 HydrophobicContact CD1-CB 4Å
313R87.6Confident91Very high11 Ų1123 Ų234%0.04212%0.115CC..Hα-helixtrans-65-44.3173.9-174.8-177.1-179.7145.3-7.2112.2D273 P309 L310 E311 A316 A317 L389 N393D273-R313 PolarHBondContact O-NH1 3.07Å; D273-R313 IonicContact OD2-NH1 2.73Å; D273-R313 PolarHBondContact OD2-NH1 3.25Å; P309-R313 WeakPolarHBondContact O-CB 3.18Å; P309-R313 PolarHBondContact O-N 3.1Å; P309-R313 VanDerWaalsContact O-N 3.07Å; L310-R313 PolarHBondContact O-N 2.73Å; E311-R313 VanDerWaalsContact C-N 3.25Å; E311-R313 PolarHBondContact O-N 2.53Å; R313-A316 PolarHBondContact O-N 3.45Å; R313-A317 PolarHBondContact O-N 2.84Å; R313-A317 VanDerWaalsContact O-N 3.07Å; R313-L389 HydrophobicContact CG-CD2 3.89Å; R313-L389 PolarHBondContact NH2-O 3.13Å; R313-N393 PolarHBondContact NH1-OD1 3.19Å; R313-N393 PolarHBondContact NH2-OD1 3.19Å
314A90.4Very high90.6Very high2 Ų224.3 Ų24.32%0.01712%0.122CC..Hα-helixtrans-63.3-43.8175.300000111.3L310 E311 A316 A317 V318 V332 L344 L389L310-A314 PolarHBondContact O-N 3.22Å; E311-A314 PolarHBondContact O-N 3.32Å; E311-A314 VanDerWaalsContact O-N 3.12Å; A314-A316 VanDerWaalsContact C-N 3.32Å; A314-A316 PolarHBondContact O-N 3.07Å; A314-A317 PolarHBondContact O-N 3.42Å; A314-V318 WeakPolarHBondContact O-CG2 3.23Å; A314-V318 PolarHBondContact O-N 2.94Å; A314-V332 HydrophobicContact CB-CG1 3.91Å; A314-L344 HydrophobicContact CB-CD1 3.71Å; A314-L344 HydrophobicContact CB-CD2 4.17Å; A314-L389 HydrophobicContact CB-CD1 4.13Å
315R93.2Very high90.4Very high16 Ų1630.6 Ų30.66%0.0615%0.146CC..Hα-helixtrans-56.4-44.9172.9-71.4176.3-178.2-153.34.9111.5E311 L312 A317 V318 A319 T326 V329 V332E311-R315 WeakPolarHBondContact O-CG 3.42Å; E311-R315 PolarHBondContact O-N 2.88Å; E311-R315 IonicContact OE1-CZ 3.43Å; E311-R315 IonicContact OE1-NE 2.76Å; E311-R315 PolarHBondContact OE1-NE 2.98Å; E311-R315 IonicContact OE1-NH2 3.23Å; E311-R315 PolarHBondContact OE1-NH2 3.12Å; L312-R315 PolarHBondContact O-N 3.41Å; R315-A317 VanDerWaalsContact C-N 3.34Å; R315-A317 PolarHBondContact O-N 3.44Å; R315-V318 PolarHBondContact O-N 2.82Å; R315-A319 VanDerWaalsContact O-CB 3.23Å; R315-A319 WeakPolarHBondContact O-CB 3.41Å; R315-A319 PolarHBondContact O-N 3.14Å; R315-T326 HydrophobicContact CB-CG2 4.05Å; R315-V329 HydrophobicContact CB-CB 4.39Å; R315-V329 HydrophobicContact CB-CG1 4.31Å; R315-V329 VanDerWaalsContact CD-O 3.31Å; R315-V329 WeakPolarHBondContact CD-O 3.39Å; R315-V329 HydrophobicContact CG-CG1 4.24Å; R315-V329 PolarHBondContact NH1-O 3.44Å; R315-V332 HydrophobicContact CG-CB 3.98Å; R315-V332 HydrophobicContact CG-CG2 3.68Å
316A92.4Very high90.3Very high39 Ų3933.5 Ų33.532%0.32216%0.163SC..Hα-helixtrans-63-39.7179.100000112.5L312 R313 A314 A319 K320 T326L312-A316 WeakPolarHBondContact O-CB 3.39Å; L312-A316 PolarHBondContact O-N 3.34Å; R313-A316 PolarHBondContact O-N 3.45Å; A314-A316 VanDerWaalsContact C-N 3.32Å; A314-A316 PolarHBondContact O-N 3.07Å; A316-A319 PolarHBondContact O-N 3.34Å; A316-K320 WeakPolarHBondContact O-CB 3.12Å; A316-K320 PolarHBondContact O-N 3.02Å; A316-T326 HydrophobicContact CB-CG2 3.93Å
317A91.4Very high90.1Very high22 Ų2242.5 Ų42.518%0.18220%0.199CC..Hα-helixtrans-72.4-38.117800000112.6R313 A314 R315 K320 H321 L385 L389R313-A317 PolarHBondContact O-N 2.84Å; R313-A317 VanDerWaalsContact O-N 3.07Å; A314-A317 PolarHBondContact O-N 3.42Å; R315-A317 VanDerWaalsContact C-N 3.34Å; R315-A317 PolarHBondContact O-N 3.44Å; A317-K320 PolarHBondContact O-N 3.45Å; A317-H321 PolarHBondContact O-N 3.05Å; A317-H321 VanDerWaalsContact O-N 3.1Å; A317-L385 HydrophobicContact CB-CD1 3.57Å; A317-L389 HydrophobicContact CB-CD2 3.66Å; A317-L389 HydrophobicContact CB-CG 4.39Å
318V93Very high90Very high0 Ų042.3 Ų42.30%020%0.198CC..Hα-helixtrans-60.8-47.5169.7173.70000110.3A314 R315 K320 H321 L322 V329 L346 A371 L381 L385A314-V318 WeakPolarHBondContact O-CG2 3.23Å; A314-V318 PolarHBondContact O-N 2.94Å; R315-V318 PolarHBondContact O-N 2.82Å; V318-K320 VanDerWaalsContact C-N 3.32Å; V318-K320 PolarHBondContact O-N 2.78Å; V318-H321 PolarHBondContact O-N 2.84Å; V318-H321 VanDerWaalsContact O-N 3.13Å; V318-L322 HydrophobicContact CG1-CD1 3.73Å; V318-L322 HydrophobicContact CG1-CG 4.2Å; V318-L322 WeakPolarHBondContact O-CB 3.39Å; V318-L322 WeakPolarHBondContact O-CG 3.37Å; V318-L322 PolarHBondContact O-N 2.95Å; V318-V329 HydrophobicContact CB-CG1 4.17Å; V318-V329 HydrophobicContact CG1-CG1 3.85Å; V318-V329 HydrophobicContact CG1-CG2 4.34Å; V318-L346 HydrophobicContact CG2-CD1 4.11Å; V318-L346 HydrophobicContact CG2-CD2 3.99Å; V318-A371 HydrophobicContact CG1-CB 4.4Å; V318-L381 HydrophobicContact CG2-CD2 4.28Å; V318-L385 HydrophobicContact CG2-CD2 3.64Å
319A92.2Very high90Very high1 Ų142.2 Ų42.21%0.00820%0.197CC..Hα-helixtrans-60.3-41.5-18000000112.2R315 A316 L322 K323 V324 V329R315-A319 VanDerWaalsContact O-CB 3.23Å; R315-A319 WeakPolarHBondContact O-CB 3.41Å; R315-A319 PolarHBondContact O-N 3.14Å; A316-A319 PolarHBondContact O-N 3.34Å; A319-L322 CarbonylContact O-C 3.51Å; A319-L322 PolarHBondContact O-N 2.78Å; A319-K323 WeakPolarHBondContact O-CA 3.48Å; A319-K323 PolarHBondContact O-N 3.15Å; A319-V324 HydrophobicContact CB-CG2 3.99Å; A319-V324 PolarHBondContact O-N 3.12Å; A319-V329 HydrophobicContact CB-CG2 3.75Å
320K90.2Very high90.2Very high179 Ų17943.1 Ų43.178%0.77820%0.203SC*.Hα-helixtrans-60.3-44.9173.7-174.4178.7-179.7-179.40111.9A316 A317 V318 L322 K323A316-K320 WeakPolarHBondContact O-CB 3.12Å; A316-K320 PolarHBondContact O-N 3.02Å; A317-K320 PolarHBondContact O-N 3.45Å; V318-K320 VanDerWaalsContact C-N 3.32Å; V318-K320 PolarHBondContact O-N 2.78Å; K320-L322 VanDerWaalsContact C-N 3.32Å; K320-K323 PolarHBondContact O-N 3.2Å
321H88.9Confident90.4Very high50 Ų5043 Ų4323%0.23120%0.202CC..Hα-helixtrans-65.6-36.8177.5-171.879000112.2A317 V318 W380 L381A317-H321 PolarHBondContact O-N 3.05Å; A317-H321 VanDerWaalsContact O-N 3.1Å; V318-H321 PolarHBondContact O-N 2.84Å; V318-H321 VanDerWaalsContact O-N 3.13Å; H321-W380 HydrophobicContact CB-CZ3 4Å; H321-W380 AromaticContact CE1-CE3 3.71Å; H321-W380 AromaticContact CG-CZ3 3.77Å; H321-W380 AromaticContact ND1-CE3 3.53Å; H321-W380 AromaticContact ND1-CZ3 3.5Å; H321-W380 WeakPolarHBondContact ND1-CZ3 3.48Å; H321-L381 HydrophobicContact CB-CD2 4.06Å
322L88.1Confident90.6Very high3 Ų343 Ų432%0.01620%0.202CC..Hα-helixtrans-86.2-4-179.5-65.1-175.9000114.4V318 A319 K320 V324 V351 R354 A371 V374 A375V318-L322 HydrophobicContact CG1-CD1 3.73Å; V318-L322 HydrophobicContact CG1-CG 4.2Å; V318-L322 WeakPolarHBondContact O-CB 3.39Å; V318-L322 WeakPolarHBondContact O-CG 3.37Å; V318-L322 PolarHBondContact O-N 2.95Å; A319-L322 CarbonylContact O-C 3.51Å; A319-L322 PolarHBondContact O-N 2.78Å; K320-L322 VanDerWaalsContact C-N 3.32Å; L322-V324 HydrophobicContact CB-CG1 4.46Å; L322-V324 HydrophobicContact CB-CG2 3.97Å; L322-V324 PolarHBondContact O-N 3.17Å; L322-V351 HydrophobicContact CD1-CB 4.37Å; L322-R354 PolarHBondContact O-NH2 2.85Å; L322-A371 HydrophobicContact CD1-CB 4.05Å; L322-V374 HydrophobicContact CD1-CG2 4.16Å; L322-V374 HydrophobicContact CD2-CG2 4.04Å; L322-A375 HydrophobicContact CD2-CB 3.76Å
323K86.6Confident90.7Very high111 Ų11142.4 Ų42.448%0.48320%0.199SC..THydrogen-bonded Turntrans55.344-175.4-55.4168.7-172.9149.10113A319 K320 D358 E376A319-K323 WeakPolarHBondContact O-CA 3.48Å; A319-K323 PolarHBondContact O-N 3.15Å; K320-K323 PolarHBondContact O-N 3.2Å; K323-D358 IonicContact NZ-OD2 2.62Å; K323-E376 IonicContact NZ-OE1 3.1Å; K323-E376 PolarHBondContact NZ-OE1 2.82Å; K323-E376 VanDerWaalsContact NZ-OE1 3.13Å
324V87.5Confident90.8Very high27 Ų2743 Ų4316%0.16420%0.203CC..SBendtrans-124.6173.6178.7-620000111.4A319 L322 V329 V351 R354A319-V324 HydrophobicContact CB-CG2 3.99Å; A319-V324 PolarHBondContact O-N 3.12Å; L322-V324 HydrophobicContact CB-CG1 4.46Å; L322-V324 HydrophobicContact CB-CG2 3.97Å; L322-V324 PolarHBondContact O-N 3.17Å; V324-V329 HydrophobicContact CG2-CG2 3.81Å; V324-V351 HydrophobicContact CB-CG2 4.21Å; V324-V351 HydrophobicContact CG1-CG2 3.91Å; V324-V351 HydrophobicContact CG2-CG2 3.8Å; V324-R354 HydrophobicContact CG1-CG 3.68Å
325R89.6Confident90.8Very high137 Ų13747.5 Ų47.552%0.51722%0.22SC..  trans-74145.5173-52.4-179.6-64167.15.3109.8Y327 D328R325-Y327 PolarHBondContact O-N 2.97Å; R325-D328 WeakPolarHBondContact CB-OD2 3.26Å; R325-D328 IonicContact CZ-OD1 2.7Å; R325-D328 IonicContact CZ-OD2 3.68Å; R325-D328 IonicContact NE-OD1 2.97Å; R325-D328 IonicContact NE-OD2 3.4Å; R325-D328 PolarHBondContact NE-OD2 3.1Å; R325-D328 IonicContact NH2-OD1 2.71Å; R325-D328 PolarHBondContact NH2-OD1 3.15Å; R325-D328 IonicContact NH2-OD2 3.6Å; R325-D328 PolarHBondContact NH2-OD2 2.72Å; R325-D328 PolarHBondContact O-N 2.65Å
326T91.2Very high90.4Very high60 Ų6048.2 Ų48.237%0.36823%0.232SC..G310 helixtrans-57.7-37.7177.4-54.20000113R315 A316 D328 V329R315-T326 HydrophobicContact CB-CG2 4.05Å; A316-T326 HydrophobicContact CB-CG2 3.93Å; T326-D328 PolarHBondContact O-N 2.77Å; T326-V329 PolarHBondContact O-N 2.99Å; T326-V329 VanDerWaalsContact O-N 3.15Å
327Y89.5Confident89.9Confident189 Ų18948.2 Ų48.274%0.74123%0.227SC*.G310 helixtrans-61.3-30.7177.7-176.3-96.7000112.8R325 V329R325-Y327 PolarHBondContact O-N 2.97Å; Y327-V329 PolarHBondContact O-N 2.92Å
328D89.1Confident89.4Confident4 Ų447.5 Ų47.52%0.02122%0.22CC..G310 helixtrans-79.5-2-178.8-59.8-39.8000112.5R325 T326 V351 S352 C353R325-D328 WeakPolarHBondContact CB-OD2 3.26Å; R325-D328 IonicContact CZ-OD1 2.7Å; R325-D328 IonicContact CZ-OD2 3.68Å; R325-D328 IonicContact NE-OD1 2.97Å; R325-D328 IonicContact NE-OD2 3.4Å; R325-D328 PolarHBondContact NE-OD2 3.1Å; R325-D328 IonicContact NH2-OD1 2.71Å; R325-D328 PolarHBondContact NH2-OD1 3.15Å; R325-D328 IonicContact NH2-OD2 3.6Å; R325-D328 PolarHBondContact NH2-OD2 2.72Å; R325-D328 PolarHBondContact O-N 2.65Å; T326-D328 PolarHBondContact O-N 2.77Å; D328-V351 CarbonylContact O-C 3.54Å; D328-V351 VanDerWaalsContact O-CA 3.26Å; D328-V351 WeakPolarHBondContact O-CA 3.39Å; D328-S352 WeakPolarHBondContact CB-O 3.18Å; D328-S352 PolarHBondContact O-N 3.44Å; D328-C353 PolarHBondContact OD1-SG 3Å; D328-C353 VanDerWaalsContact OD1-SG 3.41Å
329V92.2Very high88.2Confident0 Ų047.8 Ų47.80%022%0.223CC..EExtended strand (participates in β ladder)trans-102.7118.5174.6-178.30000110R315 V318 A319 V324 T326 Y327 V332 C350R315-V329 HydrophobicContact CB-CB 4.39Å; R315-V329 HydrophobicContact CB-CG1 4.31Å; R315-V329 VanDerWaalsContact CD-O 3.31Å; R315-V329 WeakPolarHBondContact CD-O 3.39Å; R315-V329 HydrophobicContact CG-CG1 4.24Å; R315-V329 PolarHBondContact NH1-O 3.44Å; V318-V329 HydrophobicContact CB-CG1 4.17Å; V318-V329 HydrophobicContact CG1-CG1 3.85Å; V318-V329 HydrophobicContact CG1-CG2 4.34Å; A319-V329 HydrophobicContact CB-CG2 3.75Å; V324-V329 HydrophobicContact CG2-CG2 3.81Å; T326-V329 PolarHBondContact O-N 2.99Å; T326-V329 VanDerWaalsContact O-N 3.15Å; Y327-V329 PolarHBondContact O-N 2.92Å; V329-V332 HydrophobicContact CG1-CG2 3.97Å; V329-C350 WeakPolarHBondContact CA-O 3.26Å
330T92Very high87.4Confident20 Ų2049.3 Ų49.312%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-126170.1-176.562.70000112.1V332 S349 C350 R368T330-V332 PolarHBondContact O-N 3.25Å; T330-S349 VanDerWaalsContact O-CA 3.25Å; T330-S349 WeakPolarHBondContact O-CA 3.44Å; T330-S349 WeakPolarHBondContact O-CB 3.26Å; T330-C350 PolarHBondContact N-O 2.72Å; T330-C350 PolarHBondContact O-N 3.36Å; T330-R368 PolarHBondContact OG1-NH2 2.91Å
331D92.9Very high86.9Confident3 Ų343.3 Ų43.32%0.01621%0.214CC..  trans58.634171.4-33.6-68.9000114.1R348 S349 R368 Q426 I427D331-R348 WeakPolarHBondContact CB-O 3.46Å; D331-S349 WeakPolarHBondContact O-CA 3.41Å; D331-S349 PolarHBondContact O-N 2.92Å; D331-R368 IonicContact OD1-NH2 2.68Å; D331-R368 PolarHBondContact OD1-NH2 3.09Å; D331-R368 VanDerWaalsContact OD1-NH2 3.15Å; D331-R368 IonicContact OD2-CZ 3.72Å; D331-R368 IonicContact OD2-NH2 3.15Å; D331-R368 PolarHBondContact OD2-NH2 3.38Å; D331-Q426 WeakPolarHBondContact OD1-CA 3.16Å; D331-I427 HydrophobicContact CB-CB 4.05Å; D331-I427 HydrophobicContact CB-CD1 4.46Å; D331-I427 HydrophobicContact CB-CG1 4.42Å; D331-I427 PolarHBondContact OD1-N 3.32Å
332V93.8Very high86.7Confident0 Ų041.7 Ų41.70%021%0.208CC..  trans-79.7119.4169.21750000107.9E311 A314 R315 V329 T330 L344 L346 S429E311-V332 HydrophobicContact CG-CB 4.38Å; A314-V332 HydrophobicContact CB-CG1 3.91Å; R315-V332 HydrophobicContact CG-CB 3.98Å; R315-V332 HydrophobicContact CG-CG2 3.68Å; V329-V332 HydrophobicContact CG1-CG2 3.97Å; T330-V332 PolarHBondContact O-N 3.25Å; V332-L344 HydrophobicContact CG1-CD1 3.47Å; V332-L344 VanDerWaalsContact CG1-CD1 3.47Å; V332-L346 HydrophobicContact CB-CD2 4.47Å; V332-L346 HydrophobicContact CG1-CD2 3.97Å; V332-L346 HydrophobicContact CG2-CD2 3.99Å; V332-S429 PolarHBondContact O-OG 3.3Å; V332-S429 VanDerWaalsContact O-OG 3.13Å
333V92.7Very high86.8Confident16 Ų1643.4 Ų43.410%0.09722%0.22CC..EExtended strand (participates in β ladder)trans-105.6131.1-174.8-176.20000110.2W335 D345 I427 S429V333-W335 HydrophobicContact CG1-CD2 4.14Å; V333-W335 HydrophobicContact CG1-CG 4.44Å; V333-W335 HydrophobicContact CG1-CZ2 3.78Å; V333-D345 HydrophobicContact CB-CB 4.21Å; V333-D345 PolarHBondContact N-O 2.95Å; V333-D345 PolarHBondContact O-N 2.95Å; V333-I427 HydrophobicContact CG2-CG2 3.76Å; V333-S429 WeakPolarHBondContact CA-OG 3.46Å
334I90.5Very high86.9Confident24 Ų2439.3 Ų39.312%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-106.4119.7175.2-61.7-175.2000109.1V307 L310 E311 V342 L344 S429V307-I334 HydrophobicContact CG2-CB 4.16Å; V307-I334 HydrophobicContact CG2-CD1 3.98Å; V307-I334 HydrophobicContact CG2-CG2 3.87Å; L310-I334 VanDerWaalsContact C-CD1 3.48Å; L310-I334 HydrophobicContact CB-CD1 3.7Å; L310-I334 HydrophobicContact CD2-CD1 4.01Å; L310-I334 HydrophobicContact CD2-CG2 4.25Å; L310-I334 HydrophobicContact CG-CD1 3.68Å; E311-I334 VanDerWaalsContact CA-CD1 3.45Å; E311-I334 HydrophobicContact CB-CD1 3.86Å; I334-V342 HydrophobicContact CG2-CG1 3.37Å; I334-L344 HydrophobicContact CG1-CD1 4.33Å; I334-S429 PolarHBondContact N-OG 3.29Å
335W89.2Confident87.2Confident97 Ų9740.1 Ų40.137%0.36721%0.206SC..EExtended strand (participates in β ladder)trans-106.7156.5175.2-63.4105.9000111.4V333 V342 S343 D345 V440V333-W335 HydrophobicContact CG1-CD2 4.14Å; V333-W335 HydrophobicContact CG1-CG 4.44Å; V333-W335 HydrophobicContact CG1-CZ2 3.78Å; W335-V342 CarbonylContact O-C 3.52Å; W335-V342 VanDerWaalsContact O-CA 3.31Å; W335-V342 WeakPolarHBondContact O-CA 3.39Å; W335-S343 PolarHBondContact N-O 2.9Å; W335-S343 PolarHBondContact O-N 3.1Å; W335-D345 VanDerWaalsContact CD1-CB 3.47Å; W335-D345 PolarHBondContact NE1-OD2 2.88Å; W335-V440 HydrophobicContact CB-CG2 4.02Å; W335-V440 HydrophobicContact CG-CG2 4.45Å
336G85.6Confident87.4Confident31 Ų3133.9 Ų33.932%0.3218%0.183SC..EExtended strand (participates in β ladder)trans107.3-156.3170.900000113S341G336-S341 CarbonylContact C-O 3.59Å; G336-S341 WeakPolarHBondContact CA-O 3.39Å
337N82.5Confident87.4Confident39 Ų3934.3 Ų34.321%0.20919%0.189CC..  trans-116113.4-172.5177.50.7000109.6C284 G339 S340 S341 F453C284-N337 WeakPolarHBondContact CB-OD1 3.49Å; N337-G339 PolarHBondContact O-N 2.74Å; N337-S340 WeakPolarHBondContact CB-OG 3.29Å; N337-S340 PolarHBondContact ND2-OG 3.31Å; N337-S340 CarbonylContact O-C 3.57Å; N337-S340 PolarHBondContact O-N 3.4Å; N337-S340 PolarHBondContact O-OG 2.94Å; N337-S341 PolarHBondContact N-O 3.2Å; N337-F453 HydrophobicContact CB-CE1 4.1Å
338L79.5Confident87.5Confident6 Ų633.6 Ų33.63%0.03119%0.185CC..THydrogen-bonded Turntrans-59.2131.3-177.9-163.869.4000110.6T280 C284 V307 L310 S340T280-L338 HydrophobicContact CG2-CG 3.98Å; C284-L338 PolarHBondContact SG-N 3.29Å; C284-L338 VanDerWaalsContact SG-N 3.37Å; V307-L338 HydrophobicContact CG2-CD1 4.02Å; L310-L338 HydrophobicContact CD2-CD1 3.9Å; L338-S340 VanDerWaalsContact C-N 3.33Å
339G69.1Low87.7Confident7 Ų733.4 Ų33.47%0.07218%0.184CC..THydrogen-bonded Turntrans77.514.9-172.300000114.5M277 N337M277-G339 WeakPolarHBondContact CG-O 3.49Å; N337-G339 PolarHBondContact O-N 2.74Å
340S73.9Confident87.7Confident33 Ų3334.5 Ų34.523%0.23119%0.191CC..SBendtrans-144.5-113.8170.165.50000111.5N337 L338N337-S340 WeakPolarHBondContact CB-OG 3.29Å; N337-S340 PolarHBondContact ND2-OG 3.31Å; N337-S340 CarbonylContact O-C 3.57Å; N337-S340 PolarHBondContact O-N 3.4Å; N337-S340 PolarHBondContact O-OG 2.94Å; L338-S340 VanDerWaalsContact C-N 3.33Å
341S81.4Confident87.6Confident53 Ų5333.7 Ų33.737%0.37119%0.186SC..  trans-93.1111.3177.557.40000111.4G336 N337G336-S341 CarbonylContact C-O 3.59Å; G336-S341 WeakPolarHBondContact CA-O 3.39Å; N337-S341 PolarHBondContact N-O 3.2Å
342V84.5Confident87.3Confident16 Ų1634.5 Ų34.510%0.09719%0.192CC..EExtended strand (participates in β ladder)trans-109.4144.3172.9176.80000109.6F275 L310 I334 W335 L386F275-V342 HydrophobicContact CE1-CB 4.45Å; L310-V342 HydrophobicContact CD2-CG1 4.08Å; L310-V342 HydrophobicContact CD2-CG2 4.39Å; I334-V342 HydrophobicContact CG2-CG1 3.37Å; W335-V342 CarbonylContact O-C 3.52Å; W335-V342 VanDerWaalsContact O-CA 3.31Å; W335-V342 WeakPolarHBondContact O-CA 3.39Å; V342-L386 VanDerWaalsContact O-CD2 3.23Å; V342-L386 WeakPolarHBondContact O-CD2 3.46Å
343S88.6Confident86.4Confident38 Ų3835 Ų3527%0.26620%0.195SC..EExtended strand (participates in β ladder)trans-123.9140.2171.4-175.20000109.8W335W335-S343 PolarHBondContact N-O 2.9Å; W335-S343 PolarHBondContact O-N 3.1Å
344L90.4Very high85.3Confident25 Ų2536 Ų3613%0.13120%0.198CC..EExtended strand (participates in β ladder)trans-101.7122.7178.9-176.466.3000109.5A314 V332 I334 L346 L385A314-L344 HydrophobicContact CB-CD1 3.71Å; A314-L344 HydrophobicContact CB-CD2 4.17Å; V332-L344 HydrophobicContact CG1-CD1 3.47Å; V332-L344 VanDerWaalsContact CG1-CD1 3.47Å; I334-L344 HydrophobicContact CG1-CD1 4.33Å; L344-L346 HydrophobicContact CD1-CD2 4.36Å; L344-L346 HydrophobicContact CD2-CD1 4.45Å; L344-L346 HydrophobicContact CD2-CD2 4.23Å; L344-L346 HydrophobicContact CD2-CG 4.37Å; L344-L346 HydrophobicContact CG-CD2 4.09Å; L344-L346 HydrophobicContact CG-CG 4.23Å; L344-L385 HydrophobicContact CD2-CD2 3.41Å; L344-L385 VanDerWaalsContact CD2-CD2 3.41Å; L344-L385 HydrophobicContact CD2-CG 3.93Å
345D92.2Very high84.1Confident44 Ų4444.4 Ų44.424%0.23523%0.228CC..EExtended strand (participates in β ladder)trans-111.9117.8177.5-179.59.2000110.7V333 W335 S347V333-D345 HydrophobicContact CB-CB 4.21Å; V333-D345 PolarHBondContact N-O 2.95Å; V333-D345 PolarHBondContact O-N 2.95Å; W335-D345 VanDerWaalsContact CD1-CB 3.47Å; W335-D345 PolarHBondContact NE1-OD2 2.88Å; D345-S347 VanDerWaalsContact CG-OG 3.32Å; D345-S347 WeakPolarHBondContact OD1-CB 3.19Å; D345-S347 PolarHBondContact OD1-N 2.94Å; D345-S347 PolarHBondContact OD1-OG 2.81Å; D345-S347 PolarHBondContact OD2-OG 2.84Å
346L94.1Very high82.8Confident6 Ų642.7 Ų42.73%0.03122%0.224CC..  trans-109.611.9179.3-58.4179.9000111.6V318 V332 L344 R348 S349 L372 L381 L385V318-L346 HydrophobicContact CG2-CD1 4.11Å; V318-L346 HydrophobicContact CG2-CD2 3.99Å; V332-L346 HydrophobicContact CB-CD2 4.47Å; V332-L346 HydrophobicContact CG1-CD2 3.97Å; V332-L346 HydrophobicContact CG2-CD2 3.99Å; L344-L346 HydrophobicContact CD1-CD2 4.36Å; L344-L346 HydrophobicContact CD2-CD1 4.45Å; L344-L346 HydrophobicContact CD2-CD2 4.23Å; L344-L346 HydrophobicContact CD2-CG 4.37Å; L344-L346 HydrophobicContact CG-CD2 4.09Å; L344-L346 HydrophobicContact CG-CG 4.23Å; L346-R348 PolarHBondContact O-N 3.22Å; L346-S349 WeakPolarHBondContact CA-OG 3.45Å; L346-S349 WeakPolarHBondContact CB-OG 3.15Å; L346-S349 PolarHBondContact O-N 3.27Å; L346-S349 PolarHBondContact O-OG 2.81Å; L346-L372 HydrophobicContact CB-CD1 4.11Å; L346-L372 HydrophobicContact CB-CD2 4.03Å; L346-L372 HydrophobicContact CB-CG 4.05Å; L346-L372 HydrophobicContact CD1-CD2 4.23Å; L346-L372 VanDerWaalsContact O-CD1 3.29Å; L346-L372 WeakPolarHBondContact O-CD1 3.3Å; L346-L381 HydrophobicContact CD1-CB 3.89Å; L346-L385 HydrophobicContact CD1-CD2 4.09Å
347S92Very high81.7Confident69 Ų6950 Ų5048%0.48325%0.247SC..SBendtrans-65-29-177.963.80000113.1D345D345-S347 VanDerWaalsContact CG-OG 3.32Å; D345-S347 WeakPolarHBondContact OD1-CB 3.19Å; D345-S347 PolarHBondContact OD1-N 2.94Å; D345-S347 PolarHBondContact OD1-OG 2.81Å; D345-S347 PolarHBondContact OD2-OG 2.84Å
348R92.1Very high80.6Confident175 Ų17551.6 Ų51.666%0.6626%0.256SS*.SBendtrans-106.2-6.8177.7-62.1-63.5-175.3170.80.3113.6D331 L346 C350 I427D331-R348 WeakPolarHBondContact CB-O 3.46Å; L346-R348 PolarHBondContact O-N 3.22Å; R348-C350 PolarHBondContact O-N 3.36Å; R348-C350 PolarHBondContact O-SG 3.16Å; R348-C350 VanDerWaalsContact O-SG 3.4Å; R348-I427 HydrophobicContact CB-CD1 3.96Å; R348-I427 HydrophobicContact CG-CD1 4.14Å
349S93.5Very high79.8Confident0 Ų051.9 Ų51.90%026%0.259CS..  trans-64.7139.5-174.6620000111.1T330 D331 L346 P370 A371T330-S349 VanDerWaalsContact O-CA 3.25Å; T330-S349 WeakPolarHBondContact O-CA 3.44Å; T330-S349 WeakPolarHBondContact O-CB 3.26Å; D331-S349 WeakPolarHBondContact O-CA 3.41Å; D331-S349 PolarHBondContact O-N 2.92Å; L346-S349 WeakPolarHBondContact CA-OG 3.45Å; L346-S349 WeakPolarHBondContact CB-OG 3.15Å; L346-S349 PolarHBondContact O-N 3.27Å; L346-S349 PolarHBondContact O-OG 2.81Å; S349-P370 WeakPolarHBondContact O-CA 3.39Å; S349-A371 PolarHBondContact O-N 3.2Å; S349-A371 VanDerWaalsContact OG-CB 3.3Å; S349-A371 WeakPolarHBondContact OG-CB 3.47Å
350C92.1Very high79.3Confident23 Ų2355.6 Ų55.616%0.15530%0.297CS..EExtended strand (participates in β ladder)trans-121.6153.5-176.6-69.20000110.6V329 T330 R348 R368 L369V329-C350 WeakPolarHBondContact CA-O 3.26Å; T330-C350 PolarHBondContact N-O 2.72Å; T330-C350 PolarHBondContact O-N 3.36Å; R348-C350 PolarHBondContact O-N 3.36Å; R348-C350 PolarHBondContact O-SG 3.16Å; R348-C350 VanDerWaalsContact O-SG 3.4Å; C350-R368 HydrophobicContact CB-CB 4.19Å; C350-L369 CarbonylContact C-O 3.6Å; C350-L369 VanDerWaalsContact CA-O 3.3Å; C350-L369 WeakPolarHBondContact CA-O 3.33Å
351V89.6Confident78.6Confident3 Ų357.8 Ų57.82%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-120.8136.8167.268.50000110.2L322 V324 D328 R354 L369 V374L322-V351 HydrophobicContact CD1-CB 4.37Å; V324-V351 HydrophobicContact CB-CG2 4.21Å; V324-V351 HydrophobicContact CG1-CG2 3.91Å; V324-V351 HydrophobicContact CG2-CG2 3.8Å; D328-V351 CarbonylContact O-C 3.54Å; D328-V351 VanDerWaalsContact O-CA 3.26Å; D328-V351 WeakPolarHBondContact O-CA 3.39Å; V351-R354 HydrophobicContact CG2-CG 4.42Å; V351-L369 HydrophobicContact CG1-CB 4.17Å; V351-L369 PolarHBondContact N-O 3.18Å; V351-L369 PolarHBondContact O-N 2.85Å; V351-V374 HydrophobicContact CG1-CG2 3.7Å
352S85.9Confident77.6Confident20 Ų2060 Ų6014%0.1432%0.32CS..  trans-114.7175.1172.465.10000111.4D328 R354 I367D328-S352 WeakPolarHBondContact CB-O 3.18Å; D328-S352 PolarHBondContact O-N 3.44Å; S352-R354 VanDerWaalsContact C-N 3.29Å; S352-R354 PolarHBondContact O-N 3.25Å; S352-I367 WeakPolarHBondContact CA-O 3.47Å
353C74.8Confident76.6Confident10 Ų1059.9 Ų59.97%0.06832%0.321CS..  trans52.134.6168.7-48.60000116.1D328 R355 N365D328-C353 PolarHBondContact OD1-SG 3Å; D328-C353 VanDerWaalsContact OD1-SG 3.41Å; C353-R355 PolarHBondContact O-N 3.29Å; C353-N365 VanDerWaalsContact SG-CA 3.55Å; C353-N365 PolarHBondContact SG-OD1 3.33Å
354R70.1Confident75.7Confident38 Ų3859.5 Ų59.514%0.14332%0.324CS..  trans-65.1119.1177.2-100.2-168.3158.4-156.5-3.6110.1L322 V324 V351 S352 A359 V362 V374L322-R354 PolarHBondContact O-NH2 2.85Å; V324-R354 HydrophobicContact CG1-CG 3.68Å; V351-R354 HydrophobicContact CG2-CG 4.42Å; S352-R354 VanDerWaalsContact C-N 3.29Å; S352-R354 PolarHBondContact O-N 3.25Å; R354-A359 HydrophobicContact CB-CB 4.25Å; R354-V362 WeakPolarHBondContact O-CA 3.37Å; R354-V362 WeakPolarHBondContact O-CG1 3.09Å; R354-V374 PolarHBondContact NH1-O 2.97Å; R354-V374 PolarHBondContact NH2-O 2.64Å
355R64.5Low74.7Confident200 Ų20063.8 Ų63.876%0.75535%0.347SS*.  trans-118.88.9179.3-64.5-175.6-173.5-177.81.3113.8C353C353-R355 PolarHBondContact O-N 3.29Å
356H62.7Low73.9Confident61 Ų6169.3 Ų69.328%0.28237%0.371SS..  trans-75.9148.2-175.1-154.136.7000111.5D358 A359H356-D358 VanDerWaalsContact CB-OD1 3.3Å; H356-D358 WeakPolarHBondContact CB-OD1 3.44Å; H356-D358 IonicContact CD2-OD1 3.33Å; H356-D358 PolarHBondContact CD2-OD1 2.74Å; H356-D358 IonicContact CD2-OD2 3.13Å; H356-D358 PolarHBondContact CD2-OD2 3.19Å; H356-D358 IonicContact CG-OD1 2.77Å; H356-D358 VanDerWaalsContact CG-OD1 3.3Å; H356-D358 IonicContact NE2-OD2 3.62Å; H356-D358 PolarHBondContact O-N 2.66Å; H356-A359 WeakPolarHBondContact O-CB 3.43Å; H356-A359 PolarHBondContact O-N 2.97Å
357F61.3Low73.3Confident183 Ų18371.9 Ų71.980%0.80338%0.384SS*.THydrogen-bonded Turntrans-65.3-21.2-173.267.8-93.3000113
358D61Low73Confident74 Ų7472.7 Ų72.740%0.39638%0.377SS..THydrogen-bonded Turntrans-93.1-5.1177.562.4-0.9000113.1K323 H356 G360K323-D358 IonicContact NZ-OD2 2.62Å; H356-D358 VanDerWaalsContact CB-OD1 3.3Å; H356-D358 WeakPolarHBondContact CB-OD1 3.44Å; H356-D358 IonicContact CD2-OD1 3.33Å; H356-D358 PolarHBondContact CD2-OD1 2.74Å; H356-D358 IonicContact CD2-OD2 3.13Å; H356-D358 PolarHBondContact CD2-OD2 3.19Å; H356-D358 IonicContact CG-OD1 2.77Å; H356-D358 VanDerWaalsContact CG-OD1 3.3Å; H356-D358 IonicContact NE2-OD2 3.62Å; H356-D358 PolarHBondContact O-N 2.66Å; D358-G360 PolarHBondContact O-N 3.09Å; D358-G360 VanDerWaalsContact O-N 3.17Å
359A61.4Low72.8Confident12 Ų1266.6 Ų66.610%0.09936%0.357CS..  trans-77.3106.6-179.900000109.5R354 H356 V361 V362R354-A359 HydrophobicContact CB-CB 4.25Å; H356-A359 WeakPolarHBondContact O-CB 3.43Å; H356-A359 PolarHBondContact O-N 2.97Å; A359-V361 PolarHBondContact O-N 2.98Å; A359-V362 HydrophobicContact CB-CG2 4.49Å
360G59Low72.7Confident85 Ų8570 Ų7088%0.87638%0.379SS*.SBendtrans-59.1-13.9176.200000114.8D358D358-G360 PolarHBondContact O-N 3.09Å; D358-G360 VanDerWaalsContact O-N 3.17Å
361V59.4Low72.7Confident79 Ų7968.9 Ų68.948%0.47937%0.371SS..  trans-131.3109.1172.4-178.30000108.9A359 L369A359-V361 PolarHBondContact O-N 2.98Å; V361-L369 HydrophobicContact CB-CD1 4.26Å; V361-L369 HydrophobicContact CG1-CD1 4.35Å
362V59.9Low72.8Confident100 Ų10069.7 Ų69.761%0.60638%0.375SS*.  trans-100105.6170.2176.60000107.1R354 A359R354-V362 WeakPolarHBondContact O-CA 3.37Å; R354-V362 WeakPolarHBondContact O-CG1 3.09Å; A359-V362 HydrophobicContact CB-CG2 4.49Å
363G64.3Low72.9Confident12 Ų1272.8 Ų72.812%0.12440%0.397CS..  trans-116.3151.1-17900000112.2I367G363-I367 VanDerWaalsContact CA-CD1 3.46Å
364G69.1Low73.4Confident31 Ų3173.6 Ų73.632%0.3240%0.402SS..  trans-66.8-179.6169.800000112.2H366 I367G364-H366 PolarHBondContact O-N 3.2Å; G364-I367 PolarHBondContact O-N 3Å
365N69.4Low74.3Confident114 Ų11472.4 Ų72.461%0.6140%0.4SS*.THydrogen-bonded Turntrans-58.8-20.4-175.5-53.218.5000114.1C353 I367C353-N365 VanDerWaalsContact SG-CA 3.55Å; C353-N365 PolarHBondContact SG-OD1 3.33Å; N365-I367 VanDerWaalsContact C-N 3.34Å
366H76.6Confident75.3Confident160 Ų16069.9 Ų69.974%0.74140%0.397SS*.THydrogen-bonded Turntrans-80.4-11.2178.857.9-84.8000113.7G364G364-H366 PolarHBondContact O-N 3.2Å
367I80.6Confident76.6Confident61 Ų6170.4 Ų70.431%0.31340%0.402SS..  trans-95.8116.1177.4-65.7169.6000108.5S352 G363 G364 N365 L369S352-I367 WeakPolarHBondContact CA-O 3.47Å; G363-I367 VanDerWaalsContact CA-CD1 3.46Å; G364-I367 PolarHBondContact O-N 3Å; N365-I367 VanDerWaalsContact C-N 3.34Å; I367-L369 HydrophobicContact CG2-CD2 4.38Å; I367-L369 HydrophobicContact CG2-CG 4.3Å
368R85.1Confident77.9Confident86 Ų8664.1 Ų64.133%0.32538%0.379SS..  trans-111121.9176-67.9171.176.6169.60.8109T330 D331 C350 D423T330-R368 PolarHBondContact OG1-NH2 2.91Å; D331-R368 IonicContact OD1-NH2 2.68Å; D331-R368 PolarHBondContact OD1-NH2 3.09Å; D331-R368 VanDerWaalsContact OD1-NH2 3.15Å; D331-R368 IonicContact OD2-CZ 3.72Å; D331-R368 IonicContact OD2-NH2 3.15Å; D331-R368 PolarHBondContact OD2-NH2 3.38Å; C350-R368 HydrophobicContact CB-CB 4.19Å; R368-D423 IonicContact NH1-OD2 3.91Å; R368-D423 PolarHBondContact NH1-OD2 2.8Å
369L88.8Confident79.3Confident46 Ų4666 Ų6624%0.24139%0.386CS..EExtended strand (participates in β ladder)trans-109.7141.7175.7-62.7175.3000109.6C350 V351 V361 I367 A371 V374C350-L369 CarbonylContact C-O 3.6Å; C350-L369 VanDerWaalsContact CA-O 3.3Å; C350-L369 WeakPolarHBondContact CA-O 3.33Å; V351-L369 HydrophobicContact CG1-CB 4.17Å; V351-L369 PolarHBondContact N-O 3.18Å; V351-L369 PolarHBondContact O-N 2.85Å; V361-L369 HydrophobicContact CB-CD1 4.26Å; V361-L369 HydrophobicContact CG1-CD1 4.35Å; I367-L369 HydrophobicContact CG2-CD2 4.38Å; I367-L369 HydrophobicContact CG2-CG 4.3Å; L369-A371 PolarHBondContact O-N 3.04Å; L369-V374 HydrophobicContact CB-CG1 3.85Å; L369-V374 HydrophobicContact CD1-CG1 3.89Å
370P91.7Very high80.8Confident71 Ų7168.3 Ų68.346%0.46139%0.392SS..EExtended strand (participates in β ladder)trans-56.7126.8173.5-23.733.4000111.1S349 L372 S373S349-P370 WeakPolarHBondContact O-CA 3.39Å; P370-L372 PolarHBondContact O-N 3.04Å; P370-L372 VanDerWaalsContact O-N 3.15Å; P370-S373 PolarHBondContact O-N 3.41Å; P370-S373 PolarHBondContact O-OG 2.99Å
371A90.8Very high82.3Confident0 Ų064.3 Ų64.30%035%0.351CS..THydrogen-bonded Turntrans-59.4-33.7-174.500000112.2V318 L322 S349 L369 V374 A375V318-A371 HydrophobicContact CG1-CB 4.4Å; L322-A371 HydrophobicContact CD1-CB 4.05Å; S349-A371 PolarHBondContact O-N 3.2Å; S349-A371 VanDerWaalsContact OG-CB 3.3Å; S349-A371 WeakPolarHBondContact OG-CB 3.47Å; L369-A371 PolarHBondContact O-N 3.04Å; A371-V374 VanDerWaalsContact O-CG2 3.24Å; A371-V374 WeakPolarHBondContact O-CG2 3.16Å; A371-A375 PolarHBondContact O-N 2.92Å
372L92.1Very high83.6Confident20 Ų2068.7 Ų68.711%0.10536%0.358CS..THydrogen-bonded Turntrans-75-25.4178.6-65.1176.3000113.8L346 P370 V374 P378 L381 R382L346-L372 HydrophobicContact CB-CD1 4.11Å; L346-L372 HydrophobicContact CB-CD2 4.03Å; L346-L372 HydrophobicContact CB-CG 4.05Å; L346-L372 HydrophobicContact CD1-CD2 4.23Å; L346-L372 VanDerWaalsContact O-CD1 3.29Å; L346-L372 WeakPolarHBondContact O-CD1 3.3Å; P370-L372 PolarHBondContact O-N 3.04Å; P370-L372 VanDerWaalsContact O-N 3.15Å; L372-V374 VanDerWaalsContact C-N 3.31Å; L372-P378 HydrophobicContact CB-CB 4.45Å; L372-P378 HydrophobicContact CD2-CB 4.3Å; L372-P378 WeakPolarHBondContact O-CB 3.35Å; L372-L381 HydrophobicContact CD2-CB 3.97Å; L372-L381 HydrophobicContact CD2-CD1 4.09Å; L372-R382 HydrophobicContact CD1-CG 4.29Å; L372-R382 VanDerWaalsContact CD1-NE 3.3Å; L372-R382 HydrophobicContact CD2-CG 4.09Å
373S88.4Confident85Confident86 Ų8671 Ų7160%0.60136%0.36SS*.THydrogen-bonded Turntrans-79.4-20179.265.80000112.6P370P370-S373 PolarHBondContact O-N 3.41Å; P370-S373 PolarHBondContact O-OG 2.99Å
374V86Confident86.2Confident27 Ų2775 Ų7516%0.16438%0.376CS..SBendtrans-102.4-5.1-178.8-59.90000113.7L322 V351 R354 L369 A371 L372L322-V374 HydrophobicContact CD1-CG2 4.16Å; L322-V374 HydrophobicContact CD2-CG2 4.04Å; V351-V374 HydrophobicContact CG1-CG2 3.7Å; R354-V374 PolarHBondContact NH1-O 2.97Å; R354-V374 PolarHBondContact NH2-O 2.64Å; L369-V374 HydrophobicContact CB-CG1 3.85Å; L369-V374 HydrophobicContact CD1-CG1 3.89Å; A371-V374 VanDerWaalsContact O-CG2 3.24Å; A371-V374 WeakPolarHBondContact O-CG2 3.16Å; L372-V374 VanDerWaalsContact C-N 3.31Å
375A87.3Confident87.1Confident13 Ų1373.6 Ų73.611%0.10736%0.361CS..  trans-75.8136.3179.800000110.8L322 A371 N377 P378 L381L322-A375 HydrophobicContact CD2-CB 3.76Å; A371-A375 PolarHBondContact O-N 2.92Å; A375-N377 PolarHBondContact O-N 2.94Å; A375-P378 HydrophobicContact CB-CB 4.37Å; A375-L381 HydrophobicContact CB-CD1 3.4Å; A375-L381 VanDerWaalsContact CB-CD1 3.4Å; A375-L381 HydrophobicContact CB-CG 4.48Å
376E85.6Confident88Confident147 Ų14769.8 Ų69.869%0.68734%0.34SS*.SBendtrans-61.6-36.3170.6-65.4173.9-161.400110.7K323K323-E376 IonicContact NZ-OE1 3.1Å; K323-E376 PolarHBondContact NZ-OE1 2.82Å; K323-E376 VanDerWaalsContact NZ-OE1 3.13Å
377N89.9Confident88.4Confident72 Ų7264.9 Ų64.939%0.38532%0.324SS..  trans-131.981.4177.9-167.9-17.2000112.3A375 Q379 W380 L381A375-N377 PolarHBondContact O-N 2.94Å; N377-Q379 PolarHBondContact O-N 2.98Å; N377-Q379 PolarHBondContact OD1-N 2.92Å; N377-W380 HydrophobicContact CB-CB 4Å; N377-W380 WeakPolarHBondContact ND2-CB 3.46Å; N377-W380 PolarHBondContact O-N 3.13Å; N377-W380 WeakPolarHBondContact OD1-CB 3.49Å; N377-W380 PolarHBondContact OD1-N 2.79Å; N377-L381 PolarHBondContact O-N 3.37Å
378P89.8Confident88.6Confident50 Ų5065.8 Ų65.833%0.32533%0.327SS..Hα-helixtrans-66.3-25.2179.626-33.6000113.2L372 A375 R382L372-P378 HydrophobicContact CB-CB 4.45Å; L372-P378 HydrophobicContact CD2-CB 4.3Å; L372-P378 WeakPolarHBondContact O-CB 3.35Å; A375-P378 HydrophobicContact CB-CB 4.37Å; P378-R382 WeakPolarHBondContact O-CG 3.45Å; P378-R382 PolarHBondContact O-N 3.01Å; P378-R382 VanDerWaalsContact O-N 3.13Å
379Q90.6Very high88.5Confident115 Ų11562.3 Ų62.354%0.53732%0.315SS..Hα-helixtrans-70.4-40.6178.2-177.2166.5-13.500111.4N377 R382 K383N377-Q379 PolarHBondContact O-N 2.98Å; N377-Q379 PolarHBondContact OD1-N 2.92Å; Q379-R382 PolarHBondContact O-N 2.92Å; Q379-K383 HydrophobicContact CG-CD 3.97Å; Q379-K383 WeakPolarHBondContact O-CB 3.33Å; Q379-K383 PolarHBondContact O-N 3.33Å
380W92.1Very high88Confident59 Ų5965.3 Ų65.322%0.22332%0.323CS..Hα-helixtrans-60.7-46.717318089.1000111.4H321 N377 R382 K383 E384 L385 E388H321-W380 HydrophobicContact CB-CZ3 4Å; H321-W380 AromaticContact CE1-CE3 3.71Å; H321-W380 AromaticContact CG-CZ3 3.77Å; H321-W380 AromaticContact ND1-CE3 3.53Å; H321-W380 AromaticContact ND1-CZ3 3.5Å; H321-W380 WeakPolarHBondContact ND1-CZ3 3.48Å; N377-W380 HydrophobicContact CB-CB 4Å; N377-W380 WeakPolarHBondContact ND2-CB 3.46Å; N377-W380 PolarHBondContact O-N 3.13Å; N377-W380 WeakPolarHBondContact OD1-CB 3.49Å; N377-W380 PolarHBondContact OD1-N 2.79Å; W380-R382 VanDerWaalsContact C-N 3.26Å; W380-R382 PolarHBondContact O-N 2.8Å; W380-K383 PolarHBondContact O-N 3.06Å; W380-E384 HydrophobicContact CG-CB 4.14Å; W380-E384 PolarHBondContact NE1-OE2 3.42Å; W380-E384 PolarHBondContact O-N 2.99Å; W380-L385 HydrophobicContact CH2-CD1 3.85Å; W380-L385 HydrophobicContact CZ3-CD1 4Å; W380-L385 PolarHBondContact O-N 2.85Å; W380-L385 VanDerWaalsContact O-N 3.16Å; W380-E388 HydrophobicContact CZ2-CG 4.07Å
381L90.4Very high87.3Confident2 Ų268.3 Ų68.31%0.0133%0.329CS..Hα-helixtrans-56.7-39.5176.4-76.5178.1000112.7V318 H321 L346 L372 A375 N377 L385V318-L381 HydrophobicContact CG2-CD2 4.28Å; H321-L381 HydrophobicContact CB-CD2 4.06Å; L346-L381 HydrophobicContact CD1-CB 3.89Å; L372-L381 HydrophobicContact CD2-CB 3.97Å; L372-L381 HydrophobicContact CD2-CD1 4.09Å; A375-L381 HydrophobicContact CB-CD1 3.4Å; A375-L381 VanDerWaalsContact CB-CD1 3.4Å; A375-L381 HydrophobicContact CB-CG 4.48Å; N377-L381 PolarHBondContact O-N 3.37Å; L381-L385 HydrophobicContact CD2-CD2 4.07Å; L381-L385 VanDerWaalsContact O-CB 3.25Å; L381-L385 WeakPolarHBondContact O-CB 3.34Å
382R88Confident86.4Confident170 Ų17070.7 Ų70.764%0.64235%0.349SS*.Hα-helixtrans-75.5-40.5179.9-76.2-179.4173.9169.41.3113.8L372 P378 Q379 W380L372-R382 HydrophobicContact CD1-CG 4.29Å; L372-R382 VanDerWaalsContact CD1-NE 3.3Å; L372-R382 HydrophobicContact CD2-CG 4.09Å; P378-R382 WeakPolarHBondContact O-CG 3.45Å; P378-R382 PolarHBondContact O-N 3.01Å; P378-R382 VanDerWaalsContact O-N 3.13Å; Q379-R382 PolarHBondContact O-N 2.92Å; W380-R382 VanDerWaalsContact C-N 3.26Å; W380-R382 PolarHBondContact O-N 2.8Å
383K87.7Confident85Confident148 Ų14870.5 Ų70.564%0.64335%0.347SS*.Hα-helixtrans-104.5-34.3-166.5-65.9-175.7178.2176.80114Q379 W380Q379-K383 HydrophobicContact CG-CD 3.97Å; Q379-K383 WeakPolarHBondContact O-CB 3.33Å; Q379-K383 PolarHBondContact O-N 3.33Å; W380-K383 PolarHBondContact O-N 3.06Å
384E89.8Confident83.5Confident97 Ų9771 Ų7145%0.45335%0.351SS..THydrogen-bonded Turntrans-110.5-26.7-166.2-66.8178.8-135.400112.9W380 L386 S387 E388W380-E384 HydrophobicContact CG-CB 4.14Å; W380-E384 PolarHBondContact NE1-OE2 3.42Å; W380-E384 PolarHBondContact O-N 2.99Å; E384-L386 VanDerWaalsContact C-N 3.29Å; E384-L386 PolarHBondContact O-N 3.49Å; E384-S387 WeakPolarHBondContact O-CA 3.3Å; E384-S387 VanDerWaalsContact O-CB 3.3Å; E384-S387 WeakPolarHBondContact O-CB 3.47Å; E384-S387 PolarHBondContact O-N 3Å; E384-E388 PolarHBondContact O-N 2.62Å
385L89.6Confident82.2Confident2 Ų275.2 Ų75.21%0.0138%0.377CS..Hα-helixtrans-51.2-46.7-178.3179.359.4000112.9A317 V318 L344 L346 W380 L381 S387 E388 L389A317-L385 HydrophobicContact CB-CD1 3.57Å; V318-L385 HydrophobicContact CG2-CD2 3.64Å; L344-L385 HydrophobicContact CD2-CD2 3.41Å; L344-L385 VanDerWaalsContact CD2-CD2 3.41Å; L344-L385 HydrophobicContact CD2-CG 3.93Å; L346-L385 HydrophobicContact CD1-CD2 4.09Å; W380-L385 HydrophobicContact CH2-CD1 3.85Å; W380-L385 HydrophobicContact CZ3-CD1 4Å; W380-L385 PolarHBondContact O-N 2.85Å; W380-L385 VanDerWaalsContact O-N 3.16Å; L381-L385 HydrophobicContact CD2-CD2 4.07Å; L381-L385 VanDerWaalsContact O-CB 3.25Å; L381-L385 WeakPolarHBondContact O-CB 3.34Å; L385-S387 VanDerWaalsContact C-N 3.31Å; L385-S387 PolarHBondContact O-N 3.15Å; L385-E388 PolarHBondContact O-N 2.89Å; L385-L389 HydrophobicContact CD1-CD1 4.48Å; L385-L389 HydrophobicContact CD1-CG 4.33Å; L385-L389 HydrophobicContact CG-CD1 4.27Å; L385-L389 WeakPolarHBondContact O-CB 3.4Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.36Å; L385-L389 PolarHBondContact O-N 3.13Å
386L86.9Confident81.3Confident33 Ų3380.5 Ų80.517%0.17339%0.394CS..Hα-helixtrans-63.4-37.6179.2-177.163.3000112.4F275 V342 E384 L389 R390F275-L386 HydrophobicContact CE1-CD1 3.49Å; F275-L386 VanDerWaalsContact CE1-CD1 3.49Å; F275-L386 HydrophobicContact CZ-CD1 3.45Å; F275-L386 VanDerWaalsContact CZ-CD1 3.45Å; V342-L386 VanDerWaalsContact O-CD2 3.23Å; V342-L386 WeakPolarHBondContact O-CD2 3.46Å; E384-L386 VanDerWaalsContact C-N 3.29Å; E384-L386 PolarHBondContact O-N 3.49Å; L386-L389 PolarHBondContact O-N 2.95Å; L386-R390 WeakPolarHBondContact O-CG 3.5Å; L386-R390 PolarHBondContact O-N 3.2Å; L386-R390 VanDerWaalsContact O-N 3.12Å
387S85.8Confident80.4Confident57 Ų5778.7 Ų78.740%0.39938%0.384SS..Hα-helixtrans-65.5-43.8176.9-173.10000111E384 L385 R390 K391E384-S387 WeakPolarHBondContact O-CA 3.3Å; E384-S387 VanDerWaalsContact O-CB 3.3Å; E384-S387 WeakPolarHBondContact O-CB 3.47Å; E384-S387 PolarHBondContact O-N 3Å; L385-S387 VanDerWaalsContact C-N 3.31Å; L385-S387 PolarHBondContact O-N 3.15Å; S387-R390 WeakPolarHBondContact O-CB 3.43Å; S387-R390 PolarHBondContact O-N 3.1Å; S387-K391 WeakPolarHBondContact O-CG 3.25Å; S387-K391 PolarHBondContact O-N 2.91Å
388E84.1Confident79.3Confident80 Ų8077.6 Ų77.637%0.37438%0.381SS..Hα-helixtrans-64.3-41.2176.1-71.3-57.4124.300112.3W380 E384 L385 R390 K391 A392W380-E388 HydrophobicContact CZ2-CG 4.07Å; E384-E388 PolarHBondContact O-N 2.62Å; L385-E388 PolarHBondContact O-N 2.89Å; E388-R390 VanDerWaalsContact C-N 3.26Å; E388-R390 PolarHBondContact O-N 3.21Å; E388-K391 PolarHBondContact O-N 3.29Å; E388-K391 IonicContact OE1-NZ 2.74Å; E388-K391 PolarHBondContact OE1-NZ 2.93Å; E388-A392 PolarHBondContact O-N 3.41Å; E388-A392 VanDerWaalsContact O-N 3.15Å
389L83.2Confident78.2Confident13 Ų1381 Ų817%0.06839%0.393CS..Hα-helixtrans-60.3-36.5175.1-73.2177.8000112.4F275 R313 A314 A317 L385 L386F275-L389 HydrophobicContact CE2-CB 3.74Å; F275-L389 HydrophobicContact CZ-CB 4.27Å; R313-L389 HydrophobicContact CG-CD2 3.89Å; R313-L389 PolarHBondContact NH2-O 3.13Å; A314-L389 HydrophobicContact CB-CD1 4.13Å; A317-L389 HydrophobicContact CB-CD2 3.66Å; A317-L389 HydrophobicContact CB-CG 4.39Å; L385-L389 HydrophobicContact CD1-CD1 4.48Å; L385-L389 HydrophobicContact CD1-CG 4.33Å; L385-L389 HydrophobicContact CG-CD1 4.27Å; L385-L389 WeakPolarHBondContact O-CB 3.4Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.36Å; L385-L389 PolarHBondContact O-N 3.13Å; L386-L389 PolarHBondContact O-N 2.95Å
390R79Confident77.5Confident110 Ų11082.6 Ų82.642%0.41540%0.395SS..Hα-helixtrans-66.2-40.6175.6-73.3173.7-179.6176.33.7112.4F275 L386 S387 E388 N393F275-R390 HydrophobicContact CB-CB 4.46Å; F275-R390 HydrophobicContact CB-CG 3.71Å; F275-R390 HydrophobicContact CD1-CG 3.92Å; F275-R390 HydrophobicContact CD2-CB 4.4Å; F275-R390 HydrophobicContact CD2-CG 3.73Å; F275-R390 HydrophobicContact CE1-CG 4.43Å; F275-R390 HydrophobicContact CE2-CG 4.29Å; F275-R390 HydrophobicContact CG-CB 4.49Å; F275-R390 HydrophobicContact CG-CG 3.51Å; L386-R390 WeakPolarHBondContact O-CG 3.5Å; L386-R390 PolarHBondContact O-N 3.2Å; L386-R390 VanDerWaalsContact O-N 3.12Å; S387-R390 WeakPolarHBondContact O-CB 3.43Å; S387-R390 PolarHBondContact O-N 3.1Å; E388-R390 VanDerWaalsContact C-N 3.26Å; E388-R390 PolarHBondContact O-N 3.21Å; R390-N393 PolarHBondContact O-ND2 2.74Å
391K76.5Confident76.7Confident133 Ų13380.6 Ų80.658%0.57839%0.388SS*.Hα-helixtrans-67.3-35.8179.9-66.3173.2-168.4169.10112.8S387 E388 N393S387-K391 WeakPolarHBondContact O-CG 3.25Å; S387-K391 PolarHBondContact O-N 2.91Å; E388-K391 PolarHBondContact O-N 3.29Å; E388-K391 IonicContact OE1-NZ 2.74Å; E388-K391 PolarHBondContact OE1-NZ 2.93Å; K391-N393 PolarHBondContact O-N 3.3Å; K391-N393 VanDerWaalsContact O-N 3.1Å
392A71.5Confident76.3Confident51 Ų5181 Ų8142%0.42139%0.393SS..G310 helixtrans-70.2-2.9-175.100000115.5E388 S394E388-A392 PolarHBondContact O-N 3.41Å; E388-A392 VanDerWaalsContact O-N 3.15Å; A392-S394 PolarHBondContact O-N 3.37Å
393N62.5Low76.1Confident15 Ų1578.5 Ų78.58%0.0839%0.392CS..G310 helixtrans-70.2-17.2-170.5-79.9-32.8000116.6F275 F276 R313 R390 K391 T395F275-N393 PolarHBondContact N-ND2 3.35Å; F276-N393 HydrophobicContact CD2-CB 4.1Å; F276-N393 HydrophobicContact CE2-CB 3.37Å; F276-N393 HydrophobicContact CZ-CB 3.76Å; R313-N393 PolarHBondContact NH1-OD1 3.19Å; R313-N393 PolarHBondContact NH2-OD1 3.19Å; R390-N393 PolarHBondContact O-ND2 2.74Å; K391-N393 PolarHBondContact O-N 3.3Å; K391-N393 VanDerWaalsContact O-N 3.1Å; N393-T395 PolarHBondContact O-N 3.46Å
394S56.6Low76Confident96 Ų9673.3 Ų73.367%0.67137%0.371SS*.G310 helixtrans-80.1-2.5-159.462.40000117.3A392A392-S394 PolarHBondContact O-N 3.37Å
395T59.6Low76Confident117 Ų11768.8 Ų68.872%0.71835%0.35SS*.G310 helixtrans-130.5-0.2-162.250.40000117.4N393N393-T395 PolarHBondContact O-N 3.46Å
396R68.9Low76.1Confident123 Ų12369.1 Ų69.146%0.46435%0.351SS..  trans-87.1135.4-175.5-66.1-178.9-174.5176.9-4111.7D273 I401D273-R396 IonicContact OD2-NH1 2.76Å; D273-R396 PolarHBondContact OD2-NH1 3.33Å; R396-I401 HydrophobicContact CB-CD1 3.94Å; R396-I401 HydrophobicContact CB-CG1 4.07Å
397K66.8Low76.2Confident109 Ų10970.9 Ų70.947%0.47436%0.361SS..  trans-72.4141.5174-63.7-173.3-1781770110.9E399 Y400 I401K397-E399 VanDerWaalsContact C-N 3.28Å; K397-E399 HydrophobicContact CB-CG 3.94Å; K397-E399 HydrophobicContact CD-CG 4.36Å; K397-E399 WeakPolarHBondContact CD-OE1 3.41Å; K397-E399 IonicContact NZ-OE1 3.71Å; K397-E399 PolarHBondContact NZ-OE1 2.87Å; K397-E399 PolarHBondContact O-N 3.37Å; K397-Y400 HydrophobicContact CB-CD2 3.89Å; K397-Y400 HydrophobicContact CB-CE2 4.06Å; K397-Y400 HydrophobicContact CD-CD2 4.42Å; K397-Y400 HydrophobicContact CD-CE2 3.75Å; K397-Y400 HydrophobicContact CG-CD2 4.38Å; K397-Y400 HydrophobicContact CG-CE2 4.12Å; K397-Y400 PolarHBondContact O-N 2.94Å; K397-Y400 VanDerWaalsContact O-N 3.16Å; K397-I401 WeakPolarHBondContact O-CG1 3.49Å; K397-I401 PolarHBondContact O-N 3.1Å
398P66.9Low76.6Confident49 Ų4968.2 Ų68.232%0.31834%0.342SS..Hα-helixtrans-53.1-40.9178.1-28.335.4000114.3F224 I270 Y400 I401 G402F224-P398 HydrophobicContact CD1-CG 4.32Å; F224-P398 HydrophobicContact CD2-CG 4.49Å; F224-P398 HydrophobicContact CE1-CG 4.3Å; F224-P398 HydrophobicContact CE2-CG 4.48Å; F224-P398 HydrophobicContact CG-CG 4.4Å; F224-P398 HydrophobicContact CZ-CG 4.36Å; I270-P398 HydrophobicContact CD1-CB 3.98Å; P398-Y400 VanDerWaalsContact C-N 3.26Å; P398-Y400 PolarHBondContact O-N 3.42Å; P398-I401 WeakPolarHBondContact O-CB 3.33Å; P398-I401 PolarHBondContact O-N 3.23Å; P398-G402 PolarHBondContact O-N 3.12Å; P398-G402 VanDerWaalsContact O-N 3.07Å
399E66.5Low77Confident122 Ų12264.4 Ų64.457%0.5732%0.324SS*.Hα-helixtrans-55.8-36.4179.566-158.1-158.700113.2K397K397-E399 VanDerWaalsContact C-N 3.28Å; K397-E399 HydrophobicContact CB-CG 3.94Å; K397-E399 HydrophobicContact CD-CG 4.36Å; K397-E399 WeakPolarHBondContact CD-OE1 3.41Å; K397-E399 IonicContact NZ-OE1 3.71Å; K397-E399 PolarHBondContact NZ-OE1 2.87Å; K397-E399 PolarHBondContact O-N 3.37Å
400Y75Confident77.5Confident149 Ų14963.8 Ų63.858%0.58432%0.321SS*.Hα-helixtrans-81.8-22.2177.9-53.8-35.8000112.9K397 P398K397-Y400 HydrophobicContact CB-CD2 3.89Å; K397-Y400 HydrophobicContact CB-CE2 4.06Å; K397-Y400 HydrophobicContact CD-CD2 4.42Å; K397-Y400 HydrophobicContact CD-CE2 3.75Å; K397-Y400 HydrophobicContact CG-CD2 4.38Å; K397-Y400 HydrophobicContact CG-CE2 4.12Å; K397-Y400 PolarHBondContact O-N 2.94Å; K397-Y400 VanDerWaalsContact O-N 3.16Å; P398-Y400 VanDerWaalsContact C-N 3.26Å; P398-Y400 PolarHBondContact O-N 3.42Å
401I76.1Confident78.1Confident17 Ų1761.4 Ų61.49%0.08732%0.315CS..Hα-helixtrans-76.3-31177.3-58.9170.7000109.8I270 R396 K397 P398 L403 L404 Y405I270-I401 HydrophobicContact CB-CG2 4.21Å; I270-I401 WeakPolarHBondContact O-CG2 3.36Å; R396-I401 HydrophobicContact CB-CD1 3.94Å; R396-I401 HydrophobicContact CB-CG1 4.07Å; K397-I401 WeakPolarHBondContact O-CG1 3.49Å; K397-I401 PolarHBondContact O-N 3.1Å; P398-I401 WeakPolarHBondContact O-CB 3.33Å; P398-I401 PolarHBondContact O-N 3.23Å; I401-L403 PolarHBondContact O-N 3.05Å; I401-L404 PolarHBondContact O-N 3.36Å; I401-Y405 WeakPolarHBondContact O-CB 3.28Å; I401-Y405 PolarHBondContact O-N 3.28Å
402G81.3Confident78.9Confident11 Ų1155.1 Ų55.111%0.11329%0.288CS..Hα-helixtrans-50.2-52.9173.800000112.6P398 L404 Y405 E406P398-G402 PolarHBondContact O-N 3.12Å; P398-G402 VanDerWaalsContact O-N 3.07Å; G402-L404 VanDerWaalsContact C-N 3.34Å; G402-L404 PolarHBondContact O-N 3.4Å; G402-Y405 WeakPolarHBondContact O-CA 3.32Å; G402-Y405 WeakPolarHBondContact O-CB 3.46Å; G402-Y405 PolarHBondContact O-N 2.96Å; G402-E406 WeakPolarHBondContact O-CG 3.4Å; G402-E406 PolarHBondContact O-N 2.71Å
403L84.2Confident79.9Confident116 Ų11652.7 Ų52.761%0.60727%0.267SS*.Hα-helixtrans-54.5-45.4177.7179.365000113.2I401 Y405 N407I401-L403 PolarHBondContact O-N 3.05Å; L403-Y405 VanDerWaalsContact C-N 3.33Å; L403-N407 VanDerWaalsContact O-CB 3.24Å; L403-N407 WeakPolarHBondContact O-CB 3.46Å; L403-N407 PolarHBondContact O-N 3.36Å; L403-N407 VanDerWaalsContact O-N 3.09Å
404L86.4Confident81.2Confident40 Ų4053.6 Ų53.621%0.20927%0.271CS..Hα-helixtrans-62.5-44.4177.2170.863.9000110.7D273 P309 L312 I401 G402 A408D273-L404 HydrophobicContact CB-CD2 4.04Å; P309-L404 HydrophobicContact CB-CD2 4.48Å; P309-L404 HydrophobicContact CB-CG 4.48Å; L312-L404 HydrophobicContact CB-CD1 3.94Å; L312-L404 HydrophobicContact CD1-CD1 3.7Å; L312-L404 HydrophobicContact CG-CD1 4.5Å; I401-L404 PolarHBondContact O-N 3.36Å; G402-L404 VanDerWaalsContact C-N 3.34Å; G402-L404 PolarHBondContact O-N 3.4Å; L404-A408 WeakPolarHBondContact O-CB 3.35Å; L404-A408 PolarHBondContact O-N 2.94Å
405Y88Confident82.7Confident1 Ų150.3 Ų50.30%0.00425%0.245CC..Hα-helixtrans-68-45.9-175.2-177.7-94.7000112.1F143 A267 G268 N269 I270 A272 L306 P309 I401 G402 L403 A408 M409F143-Y405 HydrophobicContact CE1-CE1 4.47Å; F143-Y405 AromaticContact CE2-CD1 3.7Å; F143-Y405 HydrophobicContact CE2-CD1 3.7Å; F143-Y405 AromaticContact CE2-CE1 3.39Å; F143-Y405 HydrophobicContact CE2-CE1 3.39Å; F143-Y405 HydrophobicContact CZ-CD1 4.12Å; F143-Y405 AromaticContact CZ-CE1 3.35Å; F143-Y405 HydrophobicContact CZ-CE1 3.35Å; A267-Y405 WeakPolarHBondContact CA-OH 3.48Å; A267-Y405 WeakPolarHBondContact CB-OH 3.44Å; A267-Y405 WeakPolarHBondContact O-CE2 3.32Å; A267-Y405 PolarHBondContact O-OH 3.03Å; G268-Y405 VanDerWaalsContact C-OH 3.29Å; G268-Y405 PolarHBondContact N-OH 3.18Å; G268-Y405 PolarHBondContact O-OH 2.88Å; N269-Y405 WeakPolarHBondContact O-CE2 3.22Å; I270-Y405 HydrophobicContact CB-CG 4.43Å; I270-Y405 HydrophobicContact CG2-CD1 4Å; I270-Y405 HydrophobicContact CG2-CG 4.03Å; A272-Y405 HydrophobicContact CB-CD2 4.29Å; A272-Y405 HydrophobicContact CB-CE2 4.08Å; L306-Y405 HydrophobicContact CD2-CD2 4.34Å; L306-Y405 HydrophobicContact CD2-CE2 3.8Å; P309-Y405 HydrophobicContact CG-CD2 3.97Å; I401-Y405 WeakPolarHBondContact O-CB 3.28Å; I401-Y405 PolarHBondContact O-N 3.28Å; G402-Y405 WeakPolarHBondContact O-CA 3.32Å; G402-Y405 WeakPolarHBondContact O-CB 3.46Å; G402-Y405 PolarHBondContact O-N 2.96Å; L403-Y405 VanDerWaalsContact C-N 3.33Å; Y405-A408 WeakPolarHBondContact O-CB 3.2Å; Y405-A408 PolarHBondContact O-N 3.38Å; Y405-M409 HydrophobicContact CD1-CE 3.69Å; Y405-M409 HydrophobicContact CD1-SD 4.28Å; Y405-M409 HydrophobicContact CE1-CE 3.44Å; Y405-M409 VanDerWaalsContact CE1-CE 3.44Å; Y405-M409 HydrophobicContact CE1-CG 4.11Å; Y405-M409 HydrophobicContact CE1-SD 3.54Å; Y405-M409 VanDerWaalsContact CE1-SD 3.54Å; Y405-M409 WeakPolarHBondContact O-CG 3.32Å; Y405-M409 PolarHBondContact O-N 2.91Å
406E91.5Very high83.9Confident9 Ų946.6 Ų46.64%0.04222%0.223CC..Hα-helixtrans-63.1-47.1176.6-71-177.3-100.300111.8I145 S146 D147 F148 G402 A408 M409 T410I145-E406 VanDerWaalsContact CA-OE2 3.24Å; I145-E406 WeakPolarHBondContact CA-OE2 3.3Å; S146-E406 PolarHBondContact N-OE2 3.19Å; D147-E406 WeakPolarHBondContact CA-OE2 3.24Å; D147-E406 WeakPolarHBondContact CB-OE2 3.42Å; D147-E406 PolarHBondContact N-OE2 3.37Å; F148-E406 HydrophobicContact CB-CB 3.87Å; F148-E406 HydrophobicContact CB-CG 3.86Å; F148-E406 PolarHBondContact N-OE2 3.01Å; G402-E406 WeakPolarHBondContact O-CG 3.4Å; G402-E406 PolarHBondContact O-N 2.71Å; E406-A408 VanDerWaalsContact C-N 3.28Å; E406-A408 PolarHBondContact O-N 3.26Å; E406-M409 HydrophobicContact CG-CE 4.15Å; E406-M409 PolarHBondContact O-N 3.02Å; E406-T410 PolarHBondContact O-N 2.92Å; E406-T410 PolarHBondContact O-OG1 3.17Å
407N91Very high84.4Confident71 Ų7142.6 Ų42.638%0.3821%0.208SC..Hα-helixtrans-60.4-39.9173.8-177.577.7000111.6L403 M409 T410 E411L403-N407 VanDerWaalsContact O-CB 3.24Å; L403-N407 WeakPolarHBondContact O-CB 3.46Å; L403-N407 PolarHBondContact O-N 3.36Å; L403-N407 VanDerWaalsContact O-N 3.09Å; N407-M409 VanDerWaalsContact C-N 3.35Å; N407-M409 PolarHBondContact O-N 3.15Å; N407-T410 PolarHBondContact O-N 3.44Å; N407-E411 WeakPolarHBondContact O-CB 3.3Å; N407-E411 WeakPolarHBondContact O-CG 3.33Å; N407-E411 PolarHBondContact O-N 3.35Å
408A92.3Very high84.9Confident0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-64.8-37.817800000112.4K308 P309 L312 L404 Y405 E406 C412K308-A408 HydrophobicContact CB-CB 3.93Å; K308-A408 HydrophobicContact CG-CB 4.03Å; P309-A408 HydrophobicContact CB-CB 4.45Å; P309-A408 HydrophobicContact CG-CB 3.66Å; L312-A408 HydrophobicContact CD1-CB 4Å; L404-A408 WeakPolarHBondContact O-CB 3.35Å; L404-A408 PolarHBondContact O-N 2.94Å; Y405-A408 WeakPolarHBondContact O-CB 3.2Å; Y405-A408 PolarHBondContact O-N 3.38Å; E406-A408 VanDerWaalsContact C-N 3.28Å; E406-A408 PolarHBondContact O-N 3.26Å; A408-C412 WeakPolarHBondContact O-CB 3.39Å; A408-C412 PolarHBondContact O-N 2.83Å
409M93.5Very high84.4Confident0 Ų041.1 Ų41.10%021%0.21CC..Hα-helixtrans-63.6-52.9171.1-70.2-170.8-67.800110.6F143 I145 F148 L214 A267 L306 Y405 E406 N407 E411 C412 L413F143-M409 HydrophobicContact CE2-CE 4.44Å; I145-M409 HydrophobicContact CG2-CE 4.28Å; F148-M409 HydrophobicContact CB-CE 3.96Å; F148-M409 HydrophobicContact CD1-CE 3.83Å; F148-M409 HydrophobicContact CD2-CB 3.62Å; F148-M409 HydrophobicContact CD2-CE 3.92Å; F148-M409 HydrophobicContact CE1-CE 4.24Å; F148-M409 HydrophobicContact CE1-SD 4.34Å; F148-M409 HydrophobicContact CE2-CB 3.4Å; F148-M409 HydrophobicContact CE2-CE 4.33Å; F148-M409 HydrophobicContact CE2-CG 4.44Å; F148-M409 HydrophobicContact CE2-SD 4.36Å; F148-M409 HydrophobicContact CG-CB 4.48Å; F148-M409 HydrophobicContact CG-CE 3.63Å; F148-M409 HydrophobicContact CZ-CB 4.09Å; F148-M409 HydrophobicContact CZ-CE 4.44Å; F148-M409 HydrophobicContact CZ-SD 4.22Å; L214-M409 HydrophobicContact CD2-SD 3.75Å; A267-M409 HydrophobicContact CB-CG 4.08Å; A267-M409 HydrophobicContact CB-SD 3.64Å; L306-M409 HydrophobicContact CD2-CG 3.67Å; Y405-M409 HydrophobicContact CD1-CE 3.69Å; Y405-M409 HydrophobicContact CD1-SD 4.28Å; Y405-M409 HydrophobicContact CE1-CE 3.44Å; Y405-M409 VanDerWaalsContact CE1-CE 3.44Å; Y405-M409 HydrophobicContact CE1-CG 4.11Å; Y405-M409 HydrophobicContact CE1-SD 3.54Å; Y405-M409 VanDerWaalsContact CE1-SD 3.54Å; Y405-M409 WeakPolarHBondContact O-CG 3.32Å; Y405-M409 PolarHBondContact O-N 2.91Å; E406-M409 HydrophobicContact CG-CE 4.15Å; E406-M409 PolarHBondContact O-N 3.02Å; N407-M409 VanDerWaalsContact C-N 3.35Å; N407-M409 PolarHBondContact O-N 3.15Å; M409-E411 VanDerWaalsContact C-N 3.35Å; M409-E411 PolarHBondContact O-N 3.35Å; M409-C412 WeakPolarHBondContact O-CB 3.24Å; M409-C412 PolarHBondContact O-N 3.4Å; M409-C412 VanDerWaalsContact O-N 3.14Å; M409-L413 VanDerWaalsContact O-CG 3.29Å; M409-L413 WeakPolarHBondContact O-CG 3.48Å; M409-L413 PolarHBondContact O-N 3.41Å
410T94.1Very high84.1Confident1 Ų142.4 Ų42.41%0.00622%0.221CC..Hα-helixtrans-53.9-49.4179.5-61.80000111.9N151 V157 E406 N407 L413 K414N151-T410 HydrophobicContact CB-CG2 3.94Å; N151-T410 PolarHBondContact ND2-OG1 3.44Å; V157-T410 HydrophobicContact CG2-CG2 3.96Å; E406-T410 PolarHBondContact O-N 2.92Å; E406-T410 PolarHBondContact O-OG1 3.17Å; N407-T410 PolarHBondContact O-N 3.44Å; T410-L413 PolarHBondContact O-N 2.97Å; T410-K414 HydrophobicContact CG2-CD 4.15Å; T410-K414 WeakPolarHBondContact O-CG 3.43Å; T410-K414 PolarHBondContact O-N 3.39Å
411E91.5Very high83.3Confident60 Ų6042.3 Ų42.328%0.2823%0.226SC..Hα-helixtrans-63.3-43177.8-72.9-65.2119.900112N407 M409 L413 K414 E415N407-E411 WeakPolarHBondContact O-CB 3.3Å; N407-E411 WeakPolarHBondContact O-CG 3.33Å; N407-E411 PolarHBondContact O-N 3.35Å; M409-E411 VanDerWaalsContact C-N 3.35Å; M409-E411 PolarHBondContact O-N 3.35Å; E411-L413 VanDerWaalsContact C-N 3.3Å; E411-L413 PolarHBondContact O-N 3.29Å; E411-K414 PolarHBondContact O-N 3.21Å; E411-K414 IonicContact OE1-NZ 2.7Å; E411-E415 WeakPolarHBondContact O-CB 3.42Å; E411-E415 VanDerWaalsContact O-CG 3.31Å; E411-E415 WeakPolarHBondContact O-CG 3.4Å; E411-E415 PolarHBondContact O-N 3.45Å
412C92.3Very high82.5Confident1 Ų143.9 Ų43.91%0.00723%0.234CC..Hα-helixtrans-59.5-41.8176.3-1770000111.7L306 A408 M409 C416 L430L306-C412 HydrophobicContact CD1-CB 3.52Å; A408-C412 WeakPolarHBondContact O-CB 3.39Å; A408-C412 PolarHBondContact O-N 2.83Å; M409-C412 WeakPolarHBondContact O-CB 3.24Å; M409-C412 PolarHBondContact O-N 3.4Å; M409-C412 VanDerWaalsContact O-N 3.14Å; C412-C416 VanDerWaalsContact O-CB 3.29Å; C412-C416 WeakPolarHBondContact O-CB 3.29Å; C412-C416 PolarHBondContact O-N 3.06Å; C412-C416 PolarHBondContact O-SG 2.85Å; C412-L430 VanDerWaalsContact SG-CD2 3.58Å
413L92.9Very high82Confident0 Ų046.5 Ų46.50%025%0.246CC..Hα-helixtrans-65.5-45.3177-61-178.9000111.4F148 I152 V157 I212 L265 M409 T410 E411 E415 C416 W417F148-L413 HydrophobicContact CE2-CD1 3.57Å; F148-L413 HydrophobicContact CE2-CG 4.49Å; F148-L413 HydrophobicContact CZ-CD1 3.75Å; I152-L413 HydrophobicContact CD1-CD1 3.83Å; I152-L413 HydrophobicContact CG1-CD1 4.2Å; V157-L413 HydrophobicContact CG1-CB 3.38Å; V157-L413 HydrophobicContact CG1-CD1 3.85Å; V157-L413 HydrophobicContact CG1-CG 4.23Å; V157-L413 HydrophobicContact CG2-CB 4.36Å; V157-L413 HydrophobicContact CG2-CD1 4.32Å; I212-L413 HydrophobicContact CD1-CD1 4.49Å; L265-L413 HydrophobicContact CB-CD2 4.4Å; L265-L413 HydrophobicContact CD2-CD2 3.63Å; L265-L413 HydrophobicContact CD2-CG 4.22Å; M409-L413 VanDerWaalsContact O-CG 3.29Å; M409-L413 WeakPolarHBondContact O-CG 3.48Å; M409-L413 PolarHBondContact O-N 3.41Å; T410-L413 PolarHBondContact O-N 2.97Å; E411-L413 VanDerWaalsContact C-N 3.3Å; E411-L413 PolarHBondContact O-N 3.29Å; L413-E415 PolarHBondContact O-N 3.16Å; L413-C416 PolarHBondContact O-N 2.95Å; L413-W417 HydrophobicContact CB-CE3 4.24Å; L413-W417 HydrophobicContact CD2-CE3 3.34Å; L413-W417 HydrophobicContact CD2-CH2 4.07Å; L413-W417 HydrophobicContact CD2-CZ3 2.98Å; L413-W417 HydrophobicContact CG-CE3 4.4Å; L413-W417 HydrophobicContact CG-CZ3 4.34Å; L413-W417 VanDerWaalsContact O-CB 3.31Å; L413-W417 WeakPolarHBondContact O-CB 3.25Å; L413-W417 PolarHBondContact O-N 3.21Å
414K90.5Very high81.3Confident34 Ų3446.9 Ų46.915%0.14826%0.255CS..Hα-helixtrans-58.7-48176.2-72.6172.7179.9172.20110.9E156 V157 T410 E411 N418 N422E156-K414 WeakPolarHBondContact O-CE 3.4Å; E156-K414 IonicContact OE2-NZ 3.04Å; E156-K414 PolarHBondContact OE2-NZ 2.88Å; V157-K414 HydrophobicContact CG2-CG 4.39Å; T410-K414 HydrophobicContact CG2-CD 4.15Å; T410-K414 WeakPolarHBondContact O-CG 3.43Å; T410-K414 PolarHBondContact O-N 3.39Å; E411-K414 PolarHBondContact O-N 3.21Å; E411-K414 IonicContact OE1-NZ 2.7Å; K414-N418 WeakPolarHBondContact O-CA 3.3Å; K414-N418 WeakPolarHBondContact O-CB 3.46Å; K414-N418 PolarHBondContact O-N 2.86Å; K414-N422 PolarHBondContact O-ND2 2.9Å
415E87.6Confident80.9Confident27 Ų2750.9 Ų50.913%0.12628%0.276CS..Hα-helixtrans-62.7-45.7179.9-74.9177169.400112.5K308 E411 L413 N422 T428K308-E415 WeakPolarHBondContact CE-OE1 3.48Å; K308-E415 WeakPolarHBondContact CE-OE2 3.26Å; K308-E415 IonicContact NZ-OE1 3.27Å; K308-E415 PolarHBondContact NZ-OE1 2.99Å; K308-E415 IonicContact NZ-OE2 3.48Å; K308-E415 PolarHBondContact NZ-OE2 2.81Å; E411-E415 WeakPolarHBondContact O-CB 3.42Å; E411-E415 VanDerWaalsContact O-CG 3.31Å; E411-E415 WeakPolarHBondContact O-CG 3.4Å; E411-E415 PolarHBondContact O-N 3.45Å; L413-E415 PolarHBondContact O-N 3.16Å; E415-N422 WeakPolarHBondContact CA-ND2 3.4Å; E415-N422 PolarHBondContact O-ND2 3.39Å; E415-N422 VanDerWaalsContact O-ND2 3.17Å; E415-T428 WeakPolarHBondContact OE2-CB 3.44Å; E415-T428 PolarHBondContact OE2-OG1 2.97Å
416C84.8Confident80.7Confident38 Ų3853.8 Ų53.826%0.25729%0.29SS..Hα-helixtrans-74.8-33.7-176.8-66.50000112.8C412 L413C412-C416 VanDerWaalsContact O-CB 3.29Å; C412-C416 WeakPolarHBondContact O-CB 3.29Å; C412-C416 PolarHBondContact O-N 3.06Å; C412-C416 PolarHBondContact O-SG 2.85Å; L413-C416 PolarHBondContact O-N 2.95Å
417W79.6Confident80.5Confident40 Ų4056.4 Ų56.415%0.15230%0.304CS..Hα-helixtrans-132.7-10.1-157.7-63.7-35.1000115.9R263 L265 V304 L413R263-W417 HydrophobicContact CB-CH2 4.28Å; R263-W417 HydrophobicContact CB-CZ2 4.01Å; R263-W417 VanDerWaalsContact NH1-CB 3.27Å; L265-W417 HydrophobicContact CB-CH2 3.92Å; L265-W417 HydrophobicContact CB-CZ3 4.24Å; V304-W417 HydrophobicContact CG2-CH2 4Å; V304-W417 HydrophobicContact CG2-CZ2 3.82Å; L413-W417 HydrophobicContact CB-CE3 4.24Å; L413-W417 HydrophobicContact CD2-CE3 3.34Å; L413-W417 HydrophobicContact CD2-CH2 4.07Å; L413-W417 HydrophobicContact CD2-CZ3 2.98Å; L413-W417 HydrophobicContact CG-CE3 4.4Å; L413-W417 HydrophobicContact CG-CZ3 4.34Å; L413-W417 VanDerWaalsContact O-CB 3.31Å; L413-W417 WeakPolarHBondContact O-CB 3.25Å; L413-W417 PolarHBondContact O-N 3.21Å
418N76Confident80.4Confident29 Ų2954.9 Ų54.916%0.15530%0.297CS..  trans-106.575.1169.8-168.5-4.5000110.2K414 N420 Q421 N422K414-N418 WeakPolarHBondContact O-CA 3.3Å; K414-N418 WeakPolarHBondContact O-CB 3.46Å; K414-N418 PolarHBondContact O-N 2.86Å; N418-N420 PolarHBondContact O-N 3.33Å; N418-N420 VanDerWaalsContact O-N 3.12Å; N418-Q421 PolarHBondContact O-N 2.88Å; N418-N422 PolarHBondContact O-ND2 2.67Å
419S58.2Low80.3Confident97 Ų9755.1 Ų55.168%0.67830%0.299SS*.THydrogen-bonded Turntrans-61.7-21.5-172.553.20000114.8Q421S419-Q421 VanDerWaalsContact C-N 3.28Å; S419-Q421 PolarHBondContact O-N 2.79Å
420N59.3Low80.2Confident149 Ų14957.2 Ų57.280%0.79731%0.31SS*.THydrogen-bonded Turntrans-76.4-15.8-172.6-69.7-5.7000113.4N418N418-N420 PolarHBondContact O-N 3.33Å; N418-N420 VanDerWaalsContact O-N 3.12Å
421Q57.9Low80.1Confident148 Ų14858 Ų5869%0.69231%0.314SS*.THydrogen-bonded Turntrans-106.4-15.2-174.8-64.8-164-5.400114.5N418 S419N418-Q421 PolarHBondContact O-N 2.88Å; S419-Q421 VanDerWaalsContact C-N 3.28Å; S419-Q421 PolarHBondContact O-N 2.79Å
422N60.4Low80.1Confident49 Ų4960.2 Ų60.226%0.26233%0.326SS..SBendtrans-94.4137.6-171-56.6-39.3000111.9K414 E415 N418 P424K414-N422 PolarHBondContact O-ND2 2.9Å; E415-N422 WeakPolarHBondContact CA-ND2 3.4Å; E415-N422 PolarHBondContact O-ND2 3.39Å; E415-N422 VanDerWaalsContact O-ND2 3.17Å; N418-N422 PolarHBondContact O-ND2 2.67Å; N422-P424 WeakPolarHBondContact O-CD 3.31Å
423D70.5Confident79.9Confident67 Ų6762.3 Ų62.336%0.35834%0.337SS..  trans-61.1120.5168.7175.8-1.3000108.4R368 N425 Q426R368-D423 IonicContact NH1-OD2 3.91Å; R368-D423 PolarHBondContact NH1-OD2 2.8Å; D423-N425 PolarHBondContact O-N 2.94Å; D423-N425 WeakPolarHBondContact OD1-CB 3.35Å; D423-N425 PolarHBondContact OD1-N 3.38Å; D423-Q426 HydrophobicContact CB-CB 4.26Å; D423-Q426 WeakPolarHBondContact O-CB 3.23Å; D423-Q426 PolarHBondContact O-N 3.26Å
424P69.3Low79.2Confident123 Ų12364 Ų6480%0.79935%0.349SS*.THydrogen-bonded Turntrans-60.6-15.6-177.324.9-35.1000113.5N422N422-P424 WeakPolarHBondContact O-CD 3.31Å
425N77.4Confident78.2Confident124 Ų12473.5 Ų73.566%0.66338%0.384SS*.THydrogen-bonded Turntrans-93-4.3176.8-61.4-43.2000113.8D423D423-N425 PolarHBondContact O-N 2.94Å; D423-N425 WeakPolarHBondContact OD1-CB 3.35Å; D423-N425 PolarHBondContact OD1-N 3.38Å
426Q83.2Confident76.7Confident63 Ų6376.5 Ų76.529%0.29440%0.404SS..  trans-75.7132179.6-170.1174.27.900110.9D331 D423D331-Q426 WeakPolarHBondContact OD1-CA 3.16Å; D423-Q426 HydrophobicContact CB-CB 4.26Å; D423-Q426 WeakPolarHBondContact O-CB 3.23Å; D423-Q426 PolarHBondContact O-N 3.26Å
427I88.2Confident75.2Confident63 Ų6379 Ų7932%0.32342%0.421SS..  trans-100133178.5-54175.8000109D331 V333 R348D331-I427 HydrophobicContact CB-CB 4.05Å; D331-I427 HydrophobicContact CB-CD1 4.46Å; D331-I427 HydrophobicContact CB-CG1 4.42Å; D331-I427 PolarHBondContact OD1-N 3.32Å; V333-I427 HydrophobicContact CG2-CG2 3.76Å; R348-I427 HydrophobicContact CB-CD1 3.96Å; R348-I427 HydrophobicContact CG-CD1 4.14Å
428T88.6Confident73.9Confident39 Ų3983.4 Ų83.424%0.23944%0.439CS..  trans-122.6146.8172.7-169.40000110.7K308 E415 L430K308-T428 PolarHBondContact NZ-OG1 3.43Å; K308-T428 VanDerWaalsContact NZ-OG1 3.1Å; E415-T428 WeakPolarHBondContact OE2-CB 3.44Å; E415-T428 PolarHBondContact OE2-OG1 2.97Å; T428-L430 HydrophobicContact CG2-CD1 4.2Å; T428-L430 HydrophobicContact CG2-CG 4.16Å
429S91.2Very high72.3Confident5 Ų588.3 Ų88.34%0.03547%0.47CS..  trans-86.6129.1175.9-590000109.9V307 E311 V332 V333 I334V307-S429 WeakPolarHBondContact CG1-O 3.09Å; E311-S429 VanDerWaalsContact OE2-CB 3.23Å; E311-S429 WeakPolarHBondContact OE2-CB 3.36Å; E311-S429 PolarHBondContact OE2-N 2.68Å; E311-S429 PolarHBondContact OE2-OG 2.59Å; V332-S429 PolarHBondContact O-OG 3.3Å; V332-S429 VanDerWaalsContact O-OG 3.13Å; V333-S429 WeakPolarHBondContact CA-OG 3.46Å; I334-S429 PolarHBondContact N-OG 3.29Å
430L91.7Very high71.5Confident45 Ų4585.9 Ų85.924%0.23645%0.451CS..  trans-135.2144.6176.2-66.3170.4000109.8C412 T428 M432C412-L430 VanDerWaalsContact SG-CD2 3.58Å; T428-L430 HydrophobicContact CG2-CD1 4.2Å; T428-L430 HydrophobicContact CG2-CG 4.16Å; L430-M432 HydrophobicContact CB-CE 4.4Å; L430-M432 HydrophobicContact CB-CG 3.84Å; L430-M432 HydrophobicContact CB-SD 4.26Å; L430-M432 HydrophobicContact CD1-SD 4.19Å; L430-M432 PolarHBondContact O-N 3.13Å
431V91.8Very high70.1Confident17 Ų1783.6 Ų83.610%0.10345%0.445CS..BIsolated β-bridgetrans-79.6112.8165.3-179.40000107.6T283 C284 V287 V304 G305 V307T283-V431 HydrophobicContact CG2-CB 4.42Å; T283-V431 HydrophobicContact CG2-CG2 4.29Å; C284-V431 HydrophobicContact CB-CG1 4.15Å; C284-V431 VanDerWaalsContact SG-CG1 3.55Å; V287-V431 HydrophobicContact CB-CG1 4.24Å; V287-V431 HydrophobicContact CG2-CB 4.46Å; V287-V431 HydrophobicContact CG2-CG1 3.88Å; V304-V431 CarbonylContact C-O 3.51Å; V304-V431 WeakPolarHBondContact CA-O 3.48Å; G305-V431 PolarHBondContact N-O 3.47Å; G305-V431 WeakPolarHBondContact O-CB 3.41Å; G305-V431 PolarHBondContact O-N 2.94Å; V307-V431 HydrophobicContact CB-CG2 4.17Å
432M90.4Very high68.9Low107 Ų10781 Ų8153%0.52744%0.44SS..  trans-136.1158.9179.6-63.7-166.6-66.200110.7V304 L430 S434V304-M432 HydrophobicContact CG1-CG 3.99Å; V304-M432 HydrophobicContact CG1-SD 4.14Å; L430-M432 HydrophobicContact CB-CE 4.4Å; L430-M432 HydrophobicContact CB-CG 3.84Å; L430-M432 HydrophobicContact CB-SD 4.26Å; L430-M432 HydrophobicContact CD1-SD 4.19Å; L430-M432 PolarHBondContact O-N 3.13Å; M432-S434 PolarHBondContact O-N 3.27Å
433I87.9Confident67.4Low45 Ų4589.3 Ų89.323%0.23147%0.469CS..  trans-72.2119.1173-64.7-71.1000109.4V287 T288 H291 P300V287-I433 HydrophobicContact CG1-CD1 4.18Å; V287-I433 HydrophobicContact CG1-CG1 4.02Å; T288-I433 HydrophobicContact CG2-CD1 4.37Å; H291-I433 HydrophobicContact CB-CD1 4.08Å; H291-I433 HydrophobicContact CB-CG1 3.71Å; P300-I433 HydrophobicContact CB-CB 4.44Å
434S78.7Confident65.4Low35 Ų3591.3 Ų91.325%0.24548%0.484CS..  trans-77.2145.2168.4-170.90000110.8M432 V436 Y438M432-S434 PolarHBondContact O-N 3.27Å; S434-V436 WeakPolarHBondContact CB-O 3.46Å; S434-V436 PolarHBondContact OG-N 2.94Å; S434-V436 VanDerWaalsContact OG-N 3.1Å; S434-V436 PolarHBondContact OG-O 3.37Å; S434-Y438 WeakPolarHBondContact OG-CE2 3.19Å
435R68.5Low63.4Low234 Ų23492.5 Ų92.588%0.88348%0.484SS*.SBendtrans-85.5-13167.6-65.7-175.2-178.5-177.42112.6
436V57Low61.1Low90 Ų9095.5 Ų95.555%0.54550%0.499SS..SBendtrans-143.7150.6-168.9-116.20000110.8S434 Y438S434-V436 WeakPolarHBondContact CB-O 3.46Å; S434-V436 PolarHBondContact OG-N 2.94Å; S434-V436 VanDerWaalsContact OG-N 3.1Å; S434-V436 PolarHBondContact OG-O 3.37Å; V436-Y438 PolarHBondContact O-N 2.55Å
437S53.3Low58.3Low89 Ų8997.1 Ų97.162%0.62252%0.517SS*.  trans-71.2123.1171.5480000110
438Y51.7Low55.4Low134 Ų134105.1 Ų105.153%0.52554%0.543SS..  trans-95108.3165-66.1-81.8000107.4S434 V436 V440S434-Y438 WeakPolarHBondContact OG-CE2 3.19Å; V436-Y438 PolarHBondContact O-N 2.55Å; Y438-V440 VanDerWaalsContact C-N 3.32Å; Y438-V440 PolarHBondContact O-N 3.1Å
439T42.4Very low52.3Low131 Ų131114.4 Ų114.480%0.80457%0.574SS**  trans-69.793.4169.237.80000108.5C441T439-C441 PolarHBondContact O-N 3.23Å
440V41.9Very low49.1Very low46 Ų46120.1 Ų120.128%0.27961%0.61SS.*  trans-69.5108.5159.3-176.60000105.5W335 Y438 T442W335-V440 HydrophobicContact CB-CG2 4.02Å; W335-V440 HydrophobicContact CG-CG2 4.45Å; Y438-V440 VanDerWaalsContact C-N 3.32Å; Y438-V440 PolarHBondContact O-N 3.1Å; V440-T442 HydrophobicContact CG1-CG2 4.4Å; V440-T442 PolarHBondContact O-N 3.05Å
441C30.9Very low45.9Very low102 Ų102122.7 Ų122.769%0.68962%0.624SS**  trans-63.284.4172.9-77.60000109.2T439 Y443T439-C441 PolarHBondContact O-N 3.23Å; C441-Y443 HydrophobicContact CB-CD2 4.45Å; C441-Y443 HydrophobicContact CB-CE2 4.45Å; C441-Y443 PolarHBondContact O-N 3.39Å
442T31.7Very low42.8Very low93 Ų93128.3 Ų128.357%0.57166%0.658SS**  trans-71.397.9164.851.40000106.5V440 T444V440-T442 HydrophobicContact CG1-CG2 4.4Å; V440-T442 PolarHBondContact O-N 3.05Å; T442-T444 PolarHBondContact O-N 3.2Å
443Y28.4Very low40.1Very low223 Ų223128.7 Ų128.788%0.87566%0.657SS**  trans-6863.5167.2-87-86.8000109.6C441C441-Y443 HydrophobicContact CB-CD2 4.45Å; C441-Y443 HydrophobicContact CB-CE2 4.45Å; C441-Y443 PolarHBondContact O-N 3.39Å
444T28.8Very low37.7Very low109 Ų109132.9 Ų132.967%0.66968%0.678SS**SBendtrans-153.3101.5171.744.60000109T442T442-T444 PolarHBondContact O-N 3.2Å
445D26.9Very low35.6Very low149 Ų149138.1 Ų138.180%0.79770%0.701SS**  trans64.2116.2152.7-126.7-19.9000120S447D445-S447 PolarHBondContact O-N 2.79Å
446L29.3Very low33.7Very low187 Ų187132.7 Ų132.798%0.97969%0.691SS**THydrogen-bonded Turntrans-73.123.4-168.6-90.2158.8000115.6
447S24.5Very low32.4Very low97 Ų97135.2 Ų135.268%0.67870%0.7SS**THydrogen-bonded Turntrans-116.72.9-171.365.40000116.4D445D445-S447 PolarHBondContact O-N 2.79Å
448R27.2Very low31.1Very low231 Ų231138.1 Ų138.187%0.87270%0.704SS**SBendtrans-123.7119.3173.1-70.6-174.2177.4177.5-0.2111.2
449R23.3Very low29.7Very low234 Ų234138.4 Ų138.488%0.88372%0.716SS**  trans-45.6137.6179-69.4179.9177.8-179.5-0.5110.3I451R449-I451 PolarHBondContact O-N 2.75Å
450P24.6Very low28.8Very low124 Ų124138.9 Ų138.981%0.80571%0.71SS**PPolyproline II helixtrans-60.2123.9-176.223.1-31.8000110.2T452P450-T452 PolarHBondContact O-N 2.94Å
451I25.8Very low27.8Very low100 Ų100146.1 Ų146.151%0.51374%0.743SS.*PPolyproline II helixtrans-71120.8174.2-61.2172.6000107.3R449R449-I451 PolarHBondContact O-N 2.75Å
452T25.8Very low27.5Very low135 Ų135149.8 Ų149.883%0.82875%0.748SS**PPolyproline II helixtrans-70.7125.1175.8-13.10000109.5P450P450-T452 PolarHBondContact O-N 2.94Å
453F33.8Very low27.1Very low115 Ų115154.9 Ų154.950%0.50476%0.764SS.*  trans-92.80175.9-70.2-78.3000112.1N337N337-F453 HydrophobicContact CB-CE1 4.1Å

Retrieved 453 of 453 residues in 186.7 ms (Link to these results)

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