A0A3Q0KHG5_SCHMA Loading...

Putative malate dehydrogenase 1B

AlphaFold DB , UniProt , Accession A0A3Q0KHG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 502 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
1M72.5Confident91.8Very high108 Ų10822.4 Ų22.453%0.53211%0.114SC..  0131.10-170166.170.800108.1L3 N31M1-L3 HydrophobicContact CE-CD1 3.87Å; M1-L3 HydrophobicContact CE-CD2 3.9Å; M1-L3 HydrophobicContact CE-CG 3.96Å; M1-L3 HydrophobicContact CG-CD2 4.49Å; M1-L3 HydrophobicContact CG-CG 4.43Å; M1-L3 HydrophobicContact SD-CD2 4.44Å; M1-N31 CarbonylContact C-O 3.53Å; M1-N31 WeakPolarHBondContact CA-O 3.24Å
2A78.6Confident92.2Very high9 Ų921.1 Ų21.17%0.07411%0.108CC..EExtended strand (participates in β ladder)trans-103.7113.9173.200000108.1F4 N31 F32 R33 Y93A2-F4 HydrophobicContact CB-CD2 4.19Å; A2-F4 HydrophobicContact CB-CE2 3.52Å; A2-F4 HydrophobicContact CB-CZ 4.32Å; A2-N31 PolarHBondContact N-O 3.03Å; A2-F32 HydrophobicContact CB-CD2 4.5Å; A2-R33 PolarHBondContact O-N 3.17Å; A2-Y93 WeakPolarHBondContact CB-OH 3.36Å
3L89.8Confident92.4Very high13 Ų1322.2 Ų22.27%0.06812%0.118CC..EExtended strand (participates in β ladder)trans-101.3114.1176.4-66.6163.9000107.7M1 R33 R67 E68 V70M1-L3 HydrophobicContact CE-CD1 3.87Å; M1-L3 HydrophobicContact CE-CD2 3.9Å; M1-L3 HydrophobicContact CE-CG 3.96Å; M1-L3 HydrophobicContact CG-CD2 4.49Å; M1-L3 HydrophobicContact CG-CG 4.43Å; M1-L3 HydrophobicContact SD-CD2 4.44Å; L3-R33 HydrophobicContact CD2-CB 3.68Å; L3-R33 HydrophobicContact CD2-CG 4.36Å; L3-R67 CarbonylContact O-C 3.56Å; L3-R67 VanDerWaalsContact O-CA 3.32Å; L3-R67 WeakPolarHBondContact O-CA 3.49Å; L3-R67 WeakPolarHBondContact O-CG 3.34Å; L3-E68 HydrophobicContact CB-CB 4.02Å; L3-E68 HydrophobicContact CD1-CB 4.45Å; L3-E68 PolarHBondContact O-N 3.33Å; L3-V70 WeakPolarHBondContact CD1-O 2.97Å
4F94Very high92.6Very high3 Ų328.2 Ų28.21%0.01314%0.143CC..EExtended strand (participates in β ladder)trans-108.2143.6173.3-66.3-90.6000109.3A2 F32 R33 V34 T35 W66 R67 I79 F85 L88 Y93A2-F4 HydrophobicContact CB-CD2 4.19Å; A2-F4 HydrophobicContact CB-CE2 3.52Å; A2-F4 HydrophobicContact CB-CZ 4.32Å; F4-F32 HydrophobicContact CD2-CD1 4.47Å; F4-F32 HydrophobicContact CD2-CD2 4.17Å; F4-F32 AromaticContact CD2-CE1 3.89Å; F4-F32 HydrophobicContact CD2-CE1 3.89Å; F4-F32 AromaticContact CD2-CE2 3.54Å; F4-F32 HydrophobicContact CD2-CE2 3.54Å; F4-F32 AromaticContact CD2-CZ 3.36Å; F4-F32 HydrophobicContact CD2-CZ 3.36Å; F4-F32 AromaticContact CE2-CD2 3.81Å; F4-F32 HydrophobicContact CE2-CD2 3.81Å; F4-F32 HydrophobicContact CE2-CE1 4.36Å; F4-F32 AromaticContact CE2-CE2 3.15Å; F4-F32 HydrophobicContact CE2-CE2 3.15Å; F4-F32 AromaticContact CE2-CZ 3.47Å; F4-F32 HydrophobicContact CE2-CZ 3.47Å; F4-F32 VanDerWaalsContact CE2-CZ 3.47Å; F4-F32 HydrophobicContact CG-CZ 4.14Å; F4-F32 AromaticContact CZ-CE2 4Å; F4-F32 HydrophobicContact CZ-CE2 4Å; F4-F32 HydrophobicContact CZ-CZ 4.32Å; F4-R33 PolarHBondContact N-O 3.44Å; F4-V34 CarbonylContact O-C 3.6Å; F4-V34 WeakPolarHBondContact O-CA 3.5Å; F4-T35 PolarHBondContact O-N 3.03Å; F4-W66 WeakPolarHBondContact CA-O 3.43Å; F4-R67 HydrophobicContact CD1-CB 4.42Å; F4-R67 HydrophobicContact CE1-CB 4.43Å; F4-I79 HydrophobicContact CD1-CD1 3.5Å; F4-I79 VanDerWaalsContact CD1-CD1 3.5Å; F4-I79 HydrophobicContact CE1-CD1 3.43Å; F4-I79 VanDerWaalsContact CE1-CD1 3.43Å; F4-F85 HydrophobicContact CD1-CD2 4.41Å; F4-F85 AromaticContact CD1-CE2 3.81Å; F4-F85 HydrophobicContact CD1-CE2 3.81Å; F4-F85 HydrophobicContact CE1-CE2 4.08Å; F4-F85 HydrophobicContact CG-CE2 4.24Å; F4-L88 HydrophobicContact CE1-CD2 4.02Å; F4-L88 HydrophobicContact CZ-CD2 4.02Å; F4-Y93 HydrophobicContact CZ-CE2 4.36Å
5V95.1Very high92.8Very high2 Ų226.3 Ų26.31%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-116.6125.7166.6-170.70000107.6T35 I37 V65 W66 E68V5-T35 WeakPolarHBondContact CA-O 3.26Å; V5-T35 HydrophobicContact CG1-CG2 4.31Å; V5-I37 HydrophobicContact CG1-CD1 3.62Å; V5-I37 HydrophobicContact CG1-CG1 4.07Å; V5-V65 WeakPolarHBondContact O-CA 3.23Å; V5-W66 HydrophobicContact CB-CD2 3.75Å; V5-W66 HydrophobicContact CB-CE3 4.19Å; V5-W66 HydrophobicContact CB-CG 4.31Å; V5-W66 HydrophobicContact CB-CH2 3.99Å; V5-W66 HydrophobicContact CB-CZ2 3.5Å; V5-W66 HydrophobicContact CB-CZ3 4.29Å; V5-W66 HydrophobicContact CG1-CD2 4.3Å; V5-W66 HydrophobicContact CG1-CE3 4.41Å; V5-W66 HydrophobicContact CG1-CH2 3.42Å; V5-W66 VanDerWaalsContact CG1-CH2 3.42Å; V5-W66 HydrophobicContact CG1-CZ2 3.23Å; V5-W66 HydrophobicContact CG1-CZ3 4Å; V5-W66 HydrophobicContact CG2-CD2 4.42Å; V5-W66 HydrophobicContact CG2-CZ2 3.96Å; V5-W66 PolarHBondContact N-O 2.88Å; V5-W66 PolarHBondContact O-N 3.41Å; V5-E68 HydrophobicContact CG2-CG 4.02Å
6I96.1Very high92.9Very high0 Ų024.7 Ų24.70%013%0.125CC..EExtended strand (participates in β ladder)trans-111.7123.8174.462.1172.3000108Y15 I18 E19 A22 V34 T35 K36 I37 V65I6-Y15 HydrophobicContact CB-CE2 4.49Å; I6-Y15 HydrophobicContact CD1-CE2 4.31Å; I6-Y15 HydrophobicContact CG1-CE2 4.25Å; I6-I18 HydrophobicContact CB-CD1 4.48Å; I6-I18 HydrophobicContact CG2-CD1 4.39Å; I6-E19 HydrophobicContact CD1-CB 4.09Å; I6-E19 HydrophobicContact CD1-CG 4.35Å; I6-A22 HydrophobicContact CD1-CB 3.82Å; I6-A22 HydrophobicContact CG2-CB 4.48Å; I6-V34 HydrophobicContact CD1-CG1 3.91Å; I6-V34 HydrophobicContact CG1-CG1 3.8Å; I6-V34 HydrophobicContact CG2-CG1 4.45Å; I6-T35 PolarHBondContact N-O 3.38Å; I6-K36 HydrophobicContact CD1-CD 4.22Å; I6-K36 HydrophobicContact CD1-CG 3.94Å; I6-K36 HydrophobicContact CG1-CB 4.38Å; I6-K36 HydrophobicContact CG1-CG 3.9Å; I6-I37 PolarHBondContact O-N 3.36Å; I6-V65 HydrophobicContact CB-CG2 4.47Å; I6-V65 HydrophobicContact CG2-CB 4.48Å; I6-V65 HydrophobicContact CG2-CG1 3.88Å; I6-V65 HydrophobicContact CG2-CG2 3.93Å
7A96.8Very high93Very high0 Ų025.4 Ų25.40%013%0.125CC..EExtended strand (participates in β ladder)trans-123.7139.4177.900000110.8I37 F47 P63 V64 W66A7-I37 VanDerWaalsContact CA-O 3.22Å; A7-I37 WeakPolarHBondContact CA-O 3.3Å; A7-I37 HydrophobicContact CB-CB 3.83Å; A7-I37 HydrophobicContact CB-CG2 4.27Å; A7-F47 HydrophobicContact CB-CE1 3.56Å; A7-F47 HydrophobicContact CB-CZ 3.61Å; A7-P63 CarbonylContact O-C 3.57Å; A7-P63 VanDerWaalsContact O-CA 3.24Å; A7-P63 WeakPolarHBondContact O-CA 3.49Å; A7-P63 VanDerWaalsContact O-CB 3.23Å; A7-P63 WeakPolarHBondContact O-CB 3.33Å; A7-V64 HydrophobicContact CB-CG1 3.94Å; A7-V64 PolarHBondContact N-O 2.88Å; A7-V64 PolarHBondContact O-N 2.91Å; A7-W66 HydrophobicContact CB-CH2 4.13Å; A7-W66 HydrophobicContact CB-CZ3 3.8Å
8G97.5Very high93Very high0 Ų023.9 Ų23.90%012%0.118CC..EExtended strand (participates in β ladder)trans-168.2165.7-179.700000114.3Y15 I37 K39 W44 S62G8-Y15 VanDerWaalsContact CA-CD2 3.47Å; G8-I37 PolarHBondContact N-O 3Å; G8-K39 PolarHBondContact O-N 3.17Å; G8-W44 VanDerWaalsContact CA-CZ3 3.43Å; G8-S62 VanDerWaalsContact CA-OG 3.28Å; G8-S62 WeakPolarHBondContact CA-OG 3.42Å
9K97.7Very high93.1Very high45 Ų4523.4 Ų23.420%0.19612%0.115CC..EExtended strand (participates in β ladder)trans-69.7137.2170.6-63.3176.1-80.6-1680109.4N11 C12 K39 W44 E61 S62K9-N11 VanDerWaalsContact CB-OD1 3.26Å; K9-N11 WeakPolarHBondContact CB-OD1 3.14Å; K9-N11 PolarHBondContact O-N 3Å; K9-N11 VanDerWaalsContact O-N 3.17Å; K9-C12 HydrophobicContact CB-CB 4.06Å; K9-C12 VanDerWaalsContact O-CB 3.26Å; K9-C12 WeakPolarHBondContact O-CB 3.44Å; K9-C12 PolarHBondContact O-N 3.13Å; K9-K39 CarbonylContact C-O 3.54Å; K9-K39 WeakPolarHBondContact CA-O 3.44Å; K9-W44 HydrophobicContact CD-CB 3.92Å; K9-W44 HydrophobicContact CD-CD2 4.16Å; K9-W44 HydrophobicContact CD-CG 3.73Å; K9-W44 HydrophobicContact CG-CB 3.8Å; K9-W44 HydrophobicContact CG-CD2 3.58Å; K9-W44 HydrophobicContact CG-CE3 3.74Å; K9-W44 HydrophobicContact CG-CG 3.6Å; K9-E61 IonicContact NZ-OE2 3.15Å; K9-S62 PolarHBondContact N-OG 3.49Å
10C96Very high93Very high1 Ų126 Ų261%0.00713%0.129CC..THydrogen-bonded Turntrans-58.7-28.4175.261.20000112.7V38 K39 I112 K115C10-V38 HydrophobicContact CB-CG1 3.63Å; C10-K39 PolarHBondContact N-O 3.29Å; C10-I112 HydrophobicContact CB-CG1 4.33Å; C10-K115 HydrophobicContact CB-CB 3.97Å; C10-K115 HydrophobicContact CB-CG 4.24Å
11N96.2Very high93Very high65 Ų6524.9 Ų24.935%0.34812%0.124SC..THydrogen-bonded Turntrans-91.617.2176.678.2-20.4000114.3K9 P13 P41 M108 I112K9-N11 VanDerWaalsContact CB-OD1 3.26Å; K9-N11 WeakPolarHBondContact CB-OD1 3.14Å; K9-N11 PolarHBondContact O-N 3Å; K9-N11 VanDerWaalsContact O-N 3.17Å; N11-P13 WeakPolarHBondContact O-CD 3.34Å; N11-P41 HydrophobicContact CB-CG 4.08Å; N11-P41 VanDerWaalsContact ND2-CG 3.33Å; N11-P41 WeakPolarHBondContact ND2-CG 3.26Å; N11-P41 WeakPolarHBondContact OD1-CG 3.3Å; N11-M108 VanDerWaalsContact C-SD 3.51Å; N11-I112 HydrophobicContact CB-CD1 3.83Å; N11-I112 HydrophobicContact CB-CG1 4.09Å
12C96.1Very high94.1Very high7 Ų719.8 Ų19.85%0.04710%0.099CC..  trans-97.7114.5179.1178.90000110.7K9 F14 Y15 A16 S62K9-C12 HydrophobicContact CB-CB 4.06Å; K9-C12 VanDerWaalsContact O-CB 3.26Å; K9-C12 WeakPolarHBondContact O-CB 3.44Å; K9-C12 PolarHBondContact O-N 3.13Å; C12-F14 PolarHBondContact O-N 3.4Å; C12-Y15 PolarHBondContact O-N 3.44Å; C12-Y15 PolarHBondContact SG-N 2.97Å; C12-Y15 VanDerWaalsContact SG-N 3.36Å; C12-A16 PolarHBondContact O-N 3.49Å; C12-A16 VanDerWaalsContact O-N 3.14Å; C12-S62 VanDerWaalsContact CB-OG 3.31Å; C12-S62 WeakPolarHBondContact CB-OG 3.22Å; C12-S62 PolarHBondContact SG-O 3.38Å; C12-S62 PolarHBondContact SG-OG 3.02Å; C12-S62 VanDerWaalsContact SG-OG 3.36Å
13P95Very high94.7Very high36 Ų3621.5 Ų21.523%0.23411%0.107CC..Hα-helixtrans-59.6-34.8175.6-23.232.8000112.9N11 A16 R17 M104 L105 M108N11-P13 WeakPolarHBondContact O-CD 3.34Å; P13-A16 PolarHBondContact O-N 3.29Å; P13-R17 PolarHBondContact O-N 3.09Å; P13-R17 VanDerWaalsContact O-N 3.09Å; P13-M104 VanDerWaalsContact C-CE 3.44Å; P13-M104 HydrophobicContact CB-CB 4.18Å; P13-M104 HydrophobicContact CB-CE 3.77Å; P13-M104 WeakPolarHBondContact O-CE 3.31Å; P13-L105 HydrophobicContact CG-CD2 4.15Å; P13-M108 HydrophobicContact CG-SD 3.66Å
14F95.2Very high94.8Very high106 Ų10625 Ų2547%0.46512%0.122SC..Hα-helixtrans-70.6-33.7179.6-55.6-65.9000112.5C12 I18 A82 M104C12-F14 PolarHBondContact O-N 3.4Å; F14-I18 PolarHBondContact O-N 3.09Å; F14-A82 HydrophobicContact CB-CB 3.89Å; F14-M104 HydrophobicContact CD1-CE 3.93Å; F14-M104 HydrophobicContact CE1-CE 4.36Å
15Y96.1Very high94.8Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-63.9-49.8170.7174.4-99.8000110.4I6 G8 C12 R17 I18 E19 V38 P63I6-Y15 HydrophobicContact CB-CE2 4.49Å; I6-Y15 HydrophobicContact CD1-CE2 4.31Å; I6-Y15 HydrophobicContact CG1-CE2 4.25Å; G8-Y15 VanDerWaalsContact CA-CD2 3.47Å; C12-Y15 PolarHBondContact O-N 3.44Å; C12-Y15 PolarHBondContact SG-N 2.97Å; C12-Y15 VanDerWaalsContact SG-N 3.36Å; Y15-R17 PolarHBondContact O-N 3.04Å; Y15-I18 VanDerWaalsContact O-CG1 3.3Å; Y15-I18 WeakPolarHBondContact O-CG1 3.4Å; Y15-I18 PolarHBondContact O-N 3.08Å; Y15-I18 VanDerWaalsContact O-N 3.13Å; Y15-E19 HydrophobicContact CE1-CB 4.2Å; Y15-E19 HydrophobicContact CE1-CG 4.38Å; Y15-E19 WeakPolarHBondContact CE1-OE1 3.41Å; Y15-E19 WeakPolarHBondContact CE1-OE2 3.4Å; Y15-E19 VanDerWaalsContact O-CB 3.3Å; Y15-E19 WeakPolarHBondContact O-CB 3.39Å; Y15-E19 PolarHBondContact O-N 3.15Å; Y15-E19 PolarHBondContact OH-OE1 3.36Å; Y15-V38 HydrophobicContact CE1-CG2 3.95Å; Y15-V38 VanDerWaalsContact OH-CG2 3.3Å; Y15-V38 WeakPolarHBondContact OH-CG2 3.29Å; Y15-P63 HydrophobicContact CD2-CB 3.93Å; Y15-P63 HydrophobicContact CG-CB 4.47Å
16A94Very high94.7Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-54-40.1178.100000112.7C12 P13 L20 I107 M108C12-A16 PolarHBondContact O-N 3.49Å; C12-A16 VanDerWaalsContact O-N 3.14Å; P13-A16 PolarHBondContact O-N 3.29Å; A16-L20 PolarHBondContact O-N 3.37Å; A16-I107 HydrophobicContact CB-CB 4.04Å; A16-I107 HydrophobicContact CB-CG2 3.72Å; A16-M108 HydrophobicContact CB-CB 4.5Å
17R93.8Very high94.6Very high36 Ų3634.1 Ų34.114%0.13617%0.173CC..Hα-helixtrans-62.2-50.2176.6-177.4178.771.4-177.56113P13 Y15 E19 L21 N83 T97 M99 M104P13-R17 PolarHBondContact O-N 3.09Å; P13-R17 VanDerWaalsContact O-N 3.09Å; Y15-R17 PolarHBondContact O-N 3.04Å; R17-E19 VanDerWaalsContact C-N 3.35Å; R17-L21 PolarHBondContact O-N 3.4Å; R17-N83 PolarHBondContact NH2-OD1 2.91Å; R17-T97 HydrophobicContact CG-CG2 3.64Å; R17-M99 HydrophobicContact CB-SD 4.22Å; R17-M99 HydrophobicContact CG-CB 4.24Å; R17-M99 HydrophobicContact CG-SD 4.44Å; R17-M104 HydrophobicContact CB-CE 3.99Å; R17-M104 HydrophobicContact CB-CG 4.24Å; R17-M104 HydrophobicContact CB-SD 4.4Å
18I94.3Very high94.3Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-77-24.5-177.863.1162.9000112.8I6 F14 Y15 L21 A22 P63 V65 A82 F85I6-I18 HydrophobicContact CB-CD1 4.48Å; I6-I18 HydrophobicContact CG2-CD1 4.39Å; F14-I18 PolarHBondContact O-N 3.09Å; Y15-I18 VanDerWaalsContact O-CG1 3.3Å; Y15-I18 WeakPolarHBondContact O-CG1 3.4Å; Y15-I18 PolarHBondContact O-N 3.08Å; Y15-I18 VanDerWaalsContact O-N 3.13Å; I18-L21 PolarHBondContact O-N 3.01Å; I18-A22 WeakPolarHBondContact O-CB 3.47Å; I18-A22 PolarHBondContact O-N 3.25Å; I18-P63 HydrophobicContact CD1-CB 3.71Å; I18-P63 HydrophobicContact CD1-CG 3.38Å; I18-P63 HydrophobicContact CG1-CB 4.48Å; I18-P63 HydrophobicContact CG1-CG 4.02Å; I18-V65 HydrophobicContact CD1-CG2 3.47Å; I18-V65 VanDerWaalsContact CD1-CG2 3.47Å; I18-A82 HydrophobicContact CG2-CB 3.71Å; I18-F85 HydrophobicContact CB-CD1 3.87Å; I18-F85 HydrophobicContact CB-CE1 4.28Å; I18-F85 HydrophobicContact CD1-CD1 4.48Å; I18-F85 HydrophobicContact CG2-CD1 3.99Å
19E94.1Very high94.1Very high13 Ų1341.9 Ų41.96%0.06121%0.214CC..Hα-helixtrans-61.2-50.3174.3178.3173.5-12800111.2I6 Y15 R17 L21 A22 D23 K36 N111I6-E19 HydrophobicContact CD1-CB 4.09Å; I6-E19 HydrophobicContact CD1-CG 4.35Å; Y15-E19 HydrophobicContact CE1-CB 4.2Å; Y15-E19 HydrophobicContact CE1-CG 4.38Å; Y15-E19 WeakPolarHBondContact CE1-OE1 3.41Å; Y15-E19 WeakPolarHBondContact CE1-OE2 3.4Å; Y15-E19 VanDerWaalsContact O-CB 3.3Å; Y15-E19 WeakPolarHBondContact O-CB 3.39Å; Y15-E19 PolarHBondContact O-N 3.15Å; Y15-E19 PolarHBondContact OH-OE1 3.36Å; R17-E19 VanDerWaalsContact C-N 3.35Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.12Å; E19-A22 PolarHBondContact O-N 2.8Å; E19-D23 WeakPolarHBondContact O-CB 3.35Å; E19-D23 PolarHBondContact O-N 2.97Å; E19-K36 HydrophobicContact CG-CD 3.85Å; E19-N111 PolarHBondContact OE2-ND2 2.81Å; E19-N111 PolarHBondContact OE2-OD1 3.23Å
20L91.7Very high93.5Very high75 Ų7545.9 Ų45.939%0.39325%0.245SC..Hα-helixtrans-66-35.4175.9-70.4-162.7000113A16 A22 K24 M99 I107A16-L20 PolarHBondContact O-N 3.37Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-K24 VanDerWaalsContact O-CB 3.3Å; L20-K24 WeakPolarHBondContact O-CB 3.47Å; L20-K24 PolarHBondContact O-N 3.1Å; L20-M99 HydrophobicContact CB-CE 3.98Å; L20-M99 HydrophobicContact CD1-CE 3.67Å; L20-M99 HydrophobicContact CG-CE 4.13Å; L20-I107 HydrophobicContact CD1-CD1 3.28Å; L20-I107 HydrophobicContact CD1-CG1 4.03Å; L20-I107 HydrophobicContact CG-CD1 4.1Å; L20-I107 HydrophobicContact CG-CG2 4.5Å
21L93.5Very high93Very high4 Ų450.9 Ų50.92%0.02127%0.271CS..Hα-helixtrans-62.1-44.7173.9-179.860.1000110.7R17 I18 E19 K24 L25 F85 Q86 V89 T97R17-L21 PolarHBondContact O-N 3.4Å; I18-L21 PolarHBondContact O-N 3.01Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.12Å; L21-K24 PolarHBondContact O-N 3.31Å; L21-L25 HydrophobicContact CG-CD1 4.34Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.27Å; L21-L25 PolarHBondContact O-N 3.08Å; L21-F85 HydrophobicContact CD2-CE1 4.35Å; L21-Q86 HydrophobicContact CD2-CG 4.48Å; L21-V89 HydrophobicContact CD1-CG1 4.16Å; L21-V89 HydrophobicContact CD2-CB 4.24Å; L21-V89 HydrophobicContact CD2-CG1 4.11Å; L21-V89 HydrophobicContact CD2-CG2 4.37Å; L21-V89 HydrophobicContact CG-CG1 4.27Å; L21-T97 HydrophobicContact CB-CG2 4.3Å; L21-T97 HydrophobicContact CD2-CG2 4.14Å
22A93.6Very high92.8Very high0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-67.4-42.5179.400000111.8I6 I18 E19 L20 L25 S26 V34 F85I6-A22 HydrophobicContact CD1-CB 3.82Å; I6-A22 HydrophobicContact CG2-CB 4.48Å; I18-A22 WeakPolarHBondContact O-CB 3.47Å; I18-A22 PolarHBondContact O-N 3.25Å; E19-A22 PolarHBondContact O-N 2.8Å; L20-A22 VanDerWaalsContact C-N 3.33Å; A22-L25 PolarHBondContact O-N 3.43Å; A22-S26 WeakPolarHBondContact O-CB 3.4Å; A22-S26 PolarHBondContact O-N 2.86Å; A22-V34 HydrophobicContact CB-CB 4.43Å; A22-V34 HydrophobicContact CB-CG1 3.84Å; A22-V34 HydrophobicContact CB-CG2 3.83Å; A22-F85 HydrophobicContact CB-CE1 4.18Å; A22-F85 HydrophobicContact CB-CZ 4.2Å
23D92.7Very high92.5Very high45 Ų4555 Ų5524%0.24128%0.281CS..Hα-helixtrans-61.6-43.1174.8-76.2-16.2000111E19 L25 S26 L27 K36E19-D23 WeakPolarHBondContact O-CB 3.35Å; E19-D23 PolarHBondContact O-N 2.97Å; D23-L25 PolarHBondContact O-N 3.1Å; D23-S26 PolarHBondContact O-N 3.37Å; D23-L27 WeakPolarHBondContact O-CG 3.31Å; D23-L27 PolarHBondContact O-N 3.25Å; D23-K36 VanDerWaalsContact CG-NZ 3.26Å; D23-K36 WeakPolarHBondContact OD1-CE 3.37Å; D23-K36 IonicContact OD1-NZ 2.79Å; D23-K36 PolarHBondContact OD1-NZ 3.14Å; D23-K36 IonicContact OD2-NZ 3.59Å; D23-K36 PolarHBondContact OD2-NZ 3.48Å
24K92.3Very high92.4Very high88 Ų8854.6 Ų54.638%0.38328%0.278SS..Hα-helixtrans-58-47.1174.4-176.4-171.1-179.7-164.80111.7L20 L21 L27 N28 E95L20-K24 VanDerWaalsContact O-CB 3.3Å; L20-K24 WeakPolarHBondContact O-CB 3.47Å; L20-K24 PolarHBondContact O-N 3.1Å; L21-K24 PolarHBondContact O-N 3.31Å; K24-L27 PolarHBondContact O-N 3.36Å; K24-N28 WeakPolarHBondContact O-CB 3.28Å; K24-N28 VanDerWaalsContact O-CG 3.31Å; K24-N28 PolarHBondContact O-N 3.36Å; K24-N28 VanDerWaalsContact O-N 3.1Å; K24-N28 PolarHBondContact O-ND2 3.4Å; K24-N28 VanDerWaalsContact O-ND2 3.17Å; K24-E95 IonicContact NZ-OE1 2.67Å; K24-E95 IonicContact NZ-OE2 2.7Å; K24-E95 PolarHBondContact NZ-OE2 2.96Å
25L93Very high92.4Very high2 Ų251.1 Ų51.11%0.0127%0.266CS..Hα-helixtrans-64.9-42.5178.2-67.8166.3000111.6L21 A22 D23 L27 N28 L29 F32 F85 V89 Y93 E95L21-L25 HydrophobicContact CG-CD1 4.34Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.27Å; L21-L25 PolarHBondContact O-N 3.08Å; A22-L25 PolarHBondContact O-N 3.43Å; D23-L25 PolarHBondContact O-N 3.1Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 2.93Å; L25-N28 PolarHBondContact O-N 3.2Å; L25-L29 HydrophobicContact CB-CD1 4.29Å; L25-L29 HydrophobicContact CD2-CD1 3.77Å; L25-L29 VanDerWaalsContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CB 3.26Å; L25-L29 PolarHBondContact O-N 3.09Å; L25-F32 HydrophobicContact CB-CD1 3.59Å; L25-F32 HydrophobicContact CB-CD2 4.26Å; L25-F32 HydrophobicContact CB-CE1 3.48Å; L25-F32 VanDerWaalsContact CB-CE1 3.48Å; L25-F32 HydrophobicContact CB-CE2 4.16Å; L25-F32 HydrophobicContact CB-CG 4Å; L25-F32 HydrophobicContact CB-CZ 3.8Å; L25-F32 HydrophobicContact CD1-CE1 3.88Å; L25-F32 HydrophobicContact CD1-CE2 3.87Å; L25-F32 HydrophobicContact CD1-CZ 3.41Å; L25-F32 VanDerWaalsContact CD1-CZ 3.41Å; L25-F32 HydrophobicContact CG-CE1 4.35Å; L25-F32 HydrophobicContact CG-CZ 4.23Å; L25-F85 HydrophobicContact CD1-CZ 4.47Å; L25-V89 HydrophobicContact CD1-CB 4.26Å; L25-V89 HydrophobicContact CD1-CG1 3.54Å; L25-V89 HydrophobicContact CD1-CG2 3.59Å; L25-V89 HydrophobicContact CD2-CG1 4.06Å; L25-V89 HydrophobicContact CG-CG1 4.31Å; L25-Y93 HydrophobicContact CD2-CG 4.49Å; L25-E95 HydrophobicContact CD2-CB 3.92Å; L25-E95 HydrophobicContact CD2-CG 3.82Å
26S93Very high92.3Very high47 Ų4755.4 Ų55.433%0.32928%0.284SS..Hα-helixtrans-64.5-31.7179.4-166.20000112.6A22 D23 F32A22-S26 WeakPolarHBondContact O-CB 3.4Å; A22-S26 PolarHBondContact O-N 2.86Å; D23-S26 PolarHBondContact O-N 3.37Å; S26-F32 PolarHBondContact OG-O 3.27Å
27L93.3Very high92.3Very high146 Ų14657.4 Ų57.476%0.76430%0.295SS*.Hα-helixtrans-76.4-36.9175.5-73.2168.8000112.6D23 K24 L25D23-L27 WeakPolarHBondContact O-CG 3.31Å; D23-L27 PolarHBondContact O-N 3.25Å; K24-L27 PolarHBondContact O-N 3.36Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 2.93Å
28N92.3Very high92.4Very high105 Ų10557.1 Ų57.156%0.56130%0.297SS*.Hα-helixtrans-95.5-18.5-170.2-67-28000114.4K24 L25K24-N28 WeakPolarHBondContact O-CB 3.28Å; K24-N28 VanDerWaalsContact O-CG 3.31Å; K24-N28 PolarHBondContact O-N 3.36Å; K24-N28 VanDerWaalsContact O-N 3.1Å; K24-N28 PolarHBondContact O-ND2 3.4Å; K24-N28 VanDerWaalsContact O-ND2 3.17Å; L25-N28 PolarHBondContact O-N 3.2Å
29L91.3Very high92.4Very high59 Ų5960.2 Ų60.231%0.30931%0.31SS..  trans-114123.1-174.7-61.3175.4000111.6L25 N31 F32 Y93L25-L29 HydrophobicContact CB-CD1 4.29Å; L25-L29 HydrophobicContact CD2-CD1 3.77Å; L25-L29 VanDerWaalsContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CB 3.26Å; L25-L29 PolarHBondContact O-N 3.09Å; L29-N31 PolarHBondContact O-N 3.31Å; L29-F32 HydrophobicContact CB-CB 3.66Å; L29-F32 HydrophobicContact CD1-CB 4.17Å; L29-F32 HydrophobicContact CD1-CD2 4.01Å; L29-F32 HydrophobicContact CD1-CG 4.29Å; L29-F32 PolarHBondContact O-N 3.17Å; L29-Y93 HydrophobicContact CD1-CD1 3.38Å; L29-Y93 HydrophobicContact CD1-CE1 3.83Å; L29-Y93 HydrophobicContact CD1-CG 4.11Å
30P85.3Confident92.5Very high129 Ų12960.7 Ų60.784%0.83831%0.312SS*.THydrogen-bonded Turntrans-66.4-8.3-169.925.4-35.1000115.3
31N86.6Confident92.7Very high105 Ų10559.5 Ų59.556%0.56131%0.309SS*.THydrogen-bonded Turntrans-136.822.3-175.9-78.6-52.8000112.7M1 A2 L29M1-N31 CarbonylContact C-O 3.53Å; M1-N31 WeakPolarHBondContact CA-O 3.24Å; A2-N31 PolarHBondContact N-O 3.03Å; L29-N31 PolarHBondContact O-N 3.31Å
32F91Very high92.8Very high6 Ų666.5 Ų66.53%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-108.4118176.4-163.4-81.5000108.4A2 F4 L25 S26 L29 V34 F85 Y93A2-F32 HydrophobicContact CB-CD2 4.5Å; F4-F32 HydrophobicContact CD2-CD1 4.47Å; F4-F32 HydrophobicContact CD2-CD2 4.17Å; F4-F32 AromaticContact CD2-CE1 3.89Å; F4-F32 HydrophobicContact CD2-CE1 3.89Å; F4-F32 AromaticContact CD2-CE2 3.54Å; F4-F32 HydrophobicContact CD2-CE2 3.54Å; F4-F32 AromaticContact CD2-CZ 3.36Å; F4-F32 HydrophobicContact CD2-CZ 3.36Å; F4-F32 AromaticContact CE2-CD2 3.81Å; F4-F32 HydrophobicContact CE2-CD2 3.81Å; F4-F32 HydrophobicContact CE2-CE1 4.36Å; F4-F32 AromaticContact CE2-CE2 3.15Å; F4-F32 HydrophobicContact CE2-CE2 3.15Å; F4-F32 AromaticContact CE2-CZ 3.47Å; F4-F32 HydrophobicContact CE2-CZ 3.47Å; F4-F32 VanDerWaalsContact CE2-CZ 3.47Å; F4-F32 HydrophobicContact CG-CZ 4.14Å; F4-F32 AromaticContact CZ-CE2 4Å; F4-F32 HydrophobicContact CZ-CE2 4Å; F4-F32 HydrophobicContact CZ-CZ 4.32Å; L25-F32 HydrophobicContact CB-CD1 3.59Å; L25-F32 HydrophobicContact CB-CD2 4.26Å; L25-F32 HydrophobicContact CB-CE1 3.48Å; L25-F32 VanDerWaalsContact CB-CE1 3.48Å; L25-F32 HydrophobicContact CB-CE2 4.16Å; L25-F32 HydrophobicContact CB-CG 4Å; L25-F32 HydrophobicContact CB-CZ 3.8Å; L25-F32 HydrophobicContact CD1-CE1 3.88Å; L25-F32 HydrophobicContact CD1-CE2 3.87Å; L25-F32 HydrophobicContact CD1-CZ 3.41Å; L25-F32 VanDerWaalsContact CD1-CZ 3.41Å; L25-F32 HydrophobicContact CG-CE1 4.35Å; L25-F32 HydrophobicContact CG-CZ 4.23Å; S26-F32 PolarHBondContact OG-O 3.27Å; L29-F32 HydrophobicContact CB-CB 3.66Å; L29-F32 HydrophobicContact CD1-CB 4.17Å; L29-F32 HydrophobicContact CD1-CD2 4.01Å; L29-F32 HydrophobicContact CD1-CG 4.29Å; L29-F32 PolarHBondContact O-N 3.17Å; F32-V34 HydrophobicContact CD1-CG2 3.73Å; F32-V34 HydrophobicContact CE1-CG2 3.36Å; F32-F85 HydrophobicContact CZ-CZ 4.31Å; F32-Y93 AromaticContact CD2-CE1 3.86Å; F32-Y93 HydrophobicContact CD2-CE1 3.86Å; F32-Y93 HydrophobicContact CD2-CE2 4.21Å; F32-Y93 AromaticContact CD2-CZ 3.68Å; F32-Y93 HydrophobicContact CE2-CD2 4.26Å; F32-Y93 HydrophobicContact CE2-CE1 4.19Å; F32-Y93 AromaticContact CE2-CE2 3.7Å; F32-Y93 HydrophobicContact CE2-CE2 3.7Å; F32-Y93 AromaticContact CE2-CZ 3.65Å
33R91.4Very high92.8Very high153 Ų15369.2 Ų69.258%0.57736%0.356SS*.EExtended strand (participates in β ladder)trans-123.5138.7179.1-70.1-170.2-177.4-173.12.2109.5A2 L3 F4A2-R33 PolarHBondContact O-N 3.17Å; L3-R33 HydrophobicContact CD2-CB 3.68Å; L3-R33 HydrophobicContact CD2-CG 4.36Å; F4-R33 PolarHBondContact N-O 3.44Å
34V93Very high93Very high27 Ų2767.6 Ų67.616%0.16435%0.347CS..EExtended strand (participates in β ladder)trans-123.8128-178.1-177.40000109.2F4 I6 A22 F32 K36F4-V34 CarbonylContact O-C 3.6Å; F4-V34 WeakPolarHBondContact O-CA 3.5Å; I6-V34 HydrophobicContact CD1-CG1 3.91Å; I6-V34 HydrophobicContact CG1-CG1 3.8Å; I6-V34 HydrophobicContact CG2-CG1 4.45Å; A22-V34 HydrophobicContact CB-CB 4.43Å; A22-V34 HydrophobicContact CB-CG1 3.84Å; A22-V34 HydrophobicContact CB-CG2 3.83Å; F32-V34 HydrophobicContact CD1-CG2 3.73Å; F32-V34 HydrophobicContact CE1-CG2 3.36Å; V34-K36 HydrophobicContact CG1-CG 4Å
35T93.3Very high93.1Very high34 Ų3470.4 Ų70.421%0.20936%0.359CS..EExtended strand (participates in β ladder)trans-102128.2165.3-60.50000108.5F4 V5 I6 Q72F4-T35 PolarHBondContact O-N 3.03Å; V5-T35 WeakPolarHBondContact CA-O 3.26Å; V5-T35 HydrophobicContact CG1-CG2 4.31Å; I6-T35 PolarHBondContact N-O 3.38Å; T35-Q72 PolarHBondContact OG1-NE2 2.86Å
36K94.3Very high93.2Very high90 Ų9077 Ų7739%0.39139%0.39SS..EExtended strand (participates in β ladder)trans-104.9127.4-178.4-58.7-168.9-77.1-1690109.8I6 E19 D23 V34I6-K36 HydrophobicContact CD1-CD 4.22Å; I6-K36 HydrophobicContact CD1-CG 3.94Å; I6-K36 HydrophobicContact CG1-CB 4.38Å; I6-K36 HydrophobicContact CG1-CG 3.9Å; E19-K36 HydrophobicContact CG-CD 3.85Å; D23-K36 VanDerWaalsContact CG-NZ 3.26Å; D23-K36 WeakPolarHBondContact OD1-CE 3.37Å; D23-K36 IonicContact OD1-NZ 2.79Å; D23-K36 PolarHBondContact OD1-NZ 3.14Å; D23-K36 IonicContact OD2-NZ 3.59Å; D23-K36 PolarHBondContact OD2-NZ 3.48Å; V34-K36 HydrophobicContact CG1-CG 4Å
37I94.3Very high93.4Very high42 Ų4275.3 Ų75.322%0.21538%0.377CS..EExtended strand (participates in β ladder)trans-119.796.5175.8-59.3174.4000108.1V5 I6 A7 G8 K39 F47 W66V5-I37 HydrophobicContact CG1-CD1 3.62Å; V5-I37 HydrophobicContact CG1-CG1 4.07Å; I6-I37 PolarHBondContact O-N 3.36Å; A7-I37 VanDerWaalsContact CA-O 3.22Å; A7-I37 WeakPolarHBondContact CA-O 3.3Å; A7-I37 HydrophobicContact CB-CB 3.83Å; A7-I37 HydrophobicContact CB-CG2 4.27Å; G8-I37 PolarHBondContact N-O 3Å; I37-K39 HydrophobicContact CG2-CG 4.44Å; I37-F47 HydrophobicContact CG2-CE2 3.93Å; I37-F47 HydrophobicContact CG2-CZ 3.92Å; I37-W66 HydrophobicContact CD1-CH2 3.84Å; I37-W66 HydrophobicContact CD1-CZ2 4.18Å
38V95.5Very high93.5Very high30 Ų3069.2 Ų69.218%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-91.3131.5177.2-172.70000109.2C10 Y15 K115C10-V38 HydrophobicContact CB-CG1 3.63Å; Y15-V38 HydrophobicContact CE1-CG2 3.95Å; Y15-V38 VanDerWaalsContact OH-CG2 3.3Å; Y15-V38 WeakPolarHBondContact OH-CG2 3.29Å; V38-K115 HydrophobicContact CB-CD 4.26Å; V38-K115 HydrophobicContact CG1-CB 4.15Å; V38-K115 HydrophobicContact CG1-CD 4.04Å; V38-K115 HydrophobicContact CG1-CG 4Å; V38-K115 VanDerWaalsContact O-CE 3.24Å; V38-K115 WeakPolarHBondContact O-CE 3.44Å
39K95.8Very high93.7Very high65 Ų6569.4 Ų69.428%0.28334%0.343SS..EExtended strand (participates in β ladder)trans-119.6147.2177-66.7-63.1-175.7175.50111.4G8 K9 C10 I37 W44 F47G8-K39 PolarHBondContact O-N 3.17Å; K9-K39 CarbonylContact C-O 3.54Å; K9-K39 WeakPolarHBondContact CA-O 3.44Å; C10-K39 PolarHBondContact N-O 3.29Å; I37-K39 HydrophobicContact CG2-CG 4.44Å; K39-W44 HydrophobicContact CB-CE3 3.99Å; K39-W44 HydrophobicContact CB-CZ3 4.44Å; K39-W44 HydrophobicContact CG-CE3 4.24Å; K39-W44 HydrophobicContact CG-CZ3 4.4Å; K39-F47 HydrophobicContact CD-CB 4.49Å; K39-F47 HydrophobicContact CD-CD2 4.43Å; K39-F47 HydrophobicContact CD-CG 4.43Å; K39-F47 VanDerWaalsContact CE-CD2 3.41Å; K39-F47 HydrophobicContact CG-CB 4.26Å; K39-F47 HydrophobicContact CG-CD1 4.27Å; K39-F47 HydrophobicContact CG-CD2 4.4Å; K39-F47 HydrophobicContact CG-CG 4.05Å
40Q95Very high93.8Very high22 Ų2271.7 Ų71.710%0.10335%0.348CS..  trans-66.6154.3164.8-65.2-74.6-0.100109.4Q42 D43 W44 K115 D119Q40-Q42 HydrophobicContact CB-CG 4.11Å; Q40-Q42 PolarHBondContact O-N 3.36Å; Q40-D43 WeakPolarHBondContact CB-OD2 3.44Å; Q40-D43 PolarHBondContact O-N 3.2Å; Q40-D43 VanDerWaalsContact O-N 3.09Å; Q40-W44 PolarHBondContact O-N 3.35Å; Q40-K115 HydrophobicContact CG-CG 4.34Å; Q40-D119 WeakPolarHBondContact CG-OD2 3.2Å; Q40-D119 PolarHBondContact NE2-OD2 2.85Å
41P95.7Very high94.3Very high50 Ų5065.6 Ų65.633%0.32531%0.308SS..G310 helixtrans-60.2-35-178-23.836.1000113N11 D43 W44N11-P41 HydrophobicContact CB-CG 4.08Å; N11-P41 VanDerWaalsContact ND2-CG 3.33Å; N11-P41 WeakPolarHBondContact ND2-CG 3.26Å; N11-P41 WeakPolarHBondContact OD1-CG 3.3Å; P41-D43 VanDerWaalsContact C-N 3.34Å; P41-W44 WeakPolarHBondContact O-CB 3.09Å; P41-W44 PolarHBondContact O-N 3.13Å
42Q95.4Very high94.7Very high151 Ų15162.9 Ų62.971%0.70630%0.295SS*.G310 helixtrans-67.8-29.6177.463.9-127.127.500113.7Q40 W44Q40-Q42 HydrophobicContact CB-CG 4.11Å; Q40-Q42 PolarHBondContact O-N 3.36Å; Q42-W44 VanDerWaalsContact C-N 3.33Å
43D94.2Very high94.8Very high57 Ų5771.8 Ų71.831%0.30533%0.334SS..G310 helixtrans-87.8-7.1-176.7-51.3-24.9000112Q40 P41 K45 E46 F47Q40-D43 WeakPolarHBondContact CB-OD2 3.44Å; Q40-D43 PolarHBondContact O-N 3.2Å; Q40-D43 VanDerWaalsContact O-N 3.09Å; P41-D43 VanDerWaalsContact C-N 3.34Å; D43-K45 VanDerWaalsContact C-N 3.33Å; D43-K45 PolarHBondContact O-N 2.8Å; D43-E46 PolarHBondContact O-N 3.38Å; D43-F47 WeakPolarHBondContact O-CB 3.49Å; D43-F47 PolarHBondContact O-N 3.02Å
44W96.2Very high94.8Very high12 Ų1269.6 Ų69.65%0.04533%0.329CS..Hα-helixtrans-63-40.1-174.5-171.2-109.6000112.4G8 K9 K39 Q40 P41 Q42 F47 T48 E60 V64G8-W44 VanDerWaalsContact CA-CZ3 3.43Å; K9-W44 HydrophobicContact CD-CB 3.92Å; K9-W44 HydrophobicContact CD-CD2 4.16Å; K9-W44 HydrophobicContact CD-CG 3.73Å; K9-W44 HydrophobicContact CG-CB 3.8Å; K9-W44 HydrophobicContact CG-CD2 3.58Å; K9-W44 HydrophobicContact CG-CE3 3.74Å; K9-W44 HydrophobicContact CG-CG 3.6Å; K39-W44 HydrophobicContact CB-CE3 3.99Å; K39-W44 HydrophobicContact CB-CZ3 4.44Å; K39-W44 HydrophobicContact CG-CE3 4.24Å; K39-W44 HydrophobicContact CG-CZ3 4.4Å; Q40-W44 PolarHBondContact O-N 3.35Å; P41-W44 WeakPolarHBondContact O-CB 3.09Å; P41-W44 PolarHBondContact O-N 3.13Å; Q42-W44 VanDerWaalsContact C-N 3.33Å; W44-F47 AromaticContact CE3-CD1 3.89Å; W44-F47 HydrophobicContact CE3-CD1 3.89Å; W44-F47 HydrophobicContact CH2-CD1 4.01Å; W44-F47 HydrophobicContact CH2-CE1 4.05Å; W44-F47 AromaticContact CZ3-CD1 3.55Å; W44-F47 HydrophobicContact CZ3-CD1 3.55Å; W44-F47 AromaticContact CZ3-CE1 3.81Å; W44-F47 HydrophobicContact CZ3-CE1 3.81Å; W44-F47 WeakPolarHBondContact O-CB 3.47Å; W44-F47 PolarHBondContact O-N 3.39Å; W44-T48 HydrophobicContact CD2-CG2 4.45Å; W44-T48 HydrophobicContact CZ2-CG2 4.3Å; W44-T48 WeakPolarHBondContact O-CG2 3.45Å; W44-T48 PolarHBondContact O-N 3.29Å; W44-T48 PolarHBondContact O-OG1 2.72Å; W44-E60 PolarHBondContact NE1-O 2.95Å; W44-E60 VanDerWaalsContact NE1-O 3.08Å; W44-V64 HydrophobicContact CH2-CG1 4.14Å
45K95.3Very high94.8Very high146 Ų14670.1 Ų70.164%0.63533%0.329SS*.Hα-helixtrans-61.6-50.9-179.8-174.5-178.7175.6-174.90111.3D43 F47 T48 E49D43-K45 VanDerWaalsContact C-N 3.33Å; D43-K45 PolarHBondContact O-N 2.8Å; K45-F47 PolarHBondContact O-N 2.92Å; K45-T48 PolarHBondContact O-N 3.1Å; K45-T48 VanDerWaalsContact O-N 3.16Å; K45-T48 PolarHBondContact O-OG1 2.83Å; K45-E49 WeakPolarHBondContact CE-OE1 3.29Å; K45-E49 WeakPolarHBondContact O-CG 3.45Å; K45-E49 PolarHBondContact O-N 3.12Å
46E95.4Very high94.8Very high140 Ų14070.9 Ų70.965%0.65434%0.344SS*.Hα-helixtrans-58.4-40175.9-174.5-175.4172.400111.2D43 E49 W50D43-E46 PolarHBondContact O-N 3.38Å; E46-E49 PolarHBondContact O-N 2.84Å; E46-W50 PolarHBondContact O-N 3.33Å
47F96.2Very high94.8Very high13 Ų1368.5 Ų68.56%0.05733%0.332CS..Hα-helixtrans-64.4-41.1176.7-177.9-109.5000113.2A7 I37 K39 D43 W44 K45 E49 W50 I51 V64 W66A7-F47 HydrophobicContact CB-CE1 3.56Å; A7-F47 HydrophobicContact CB-CZ 3.61Å; I37-F47 HydrophobicContact CG2-CE2 3.93Å; I37-F47 HydrophobicContact CG2-CZ 3.92Å; K39-F47 HydrophobicContact CD-CB 4.49Å; K39-F47 HydrophobicContact CD-CD2 4.43Å; K39-F47 HydrophobicContact CD-CG 4.43Å; K39-F47 VanDerWaalsContact CE-CD2 3.41Å; K39-F47 HydrophobicContact CG-CB 4.26Å; 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 3.49Å; D43-F47 PolarHBondContact O-N 3.02Å; W44-F47 AromaticContact CE3-CD1 3.89Å; W44-F47 HydrophobicContact CE3-CD1 3.89Å; W44-F47 HydrophobicContact CH2-CD1 4.01Å; W44-F47 HydrophobicContact CH2-CE1 4.05Å; W44-F47 AromaticContact CZ3-CD1 3.55Å; W44-F47 HydrophobicContact CZ3-CD1 3.55Å; W44-F47 AromaticContact CZ3-CE1 3.81Å; W44-F47 HydrophobicContact CZ3-CE1 3.81Å; W44-F47 WeakPolarHBondContact O-CB 3.47Å; W44-F47 PolarHBondContact O-N 3.39Å; K45-F47 PolarHBondContact O-N 2.92Å; F47-E49 VanDerWaalsContact C-N 3.35Å; F47-W50 HydrophobicContact CD2-CE3 4.12Å; 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 4.37Å; F47-W50 WeakPolarHBondContact O-CB 3.45Å; F47-W50 PolarHBondContact O-N 2.7Å; F47-I51 HydrophobicContact CD1-CD1 4.06Å; F47-I51 HydrophobicContact CE1-CD1 3.45Å; F47-I51 VanDerWaalsContact CE1-CD1 3.45Å; F47-I51 HydrophobicContact CE1-CG1 4.14Å; F47-I51 HydrophobicContact CZ-CD1 3.76Å; F47-I51 HydrophobicContact CZ-CG1 4.13Å; F47-I51 PolarHBondContact O-N 3.25Å; F47-V64 HydrophobicContact CE1-CG1 4.43Å; F47-W66 HydrophobicContact CZ-CH2 4.41Å
48T96.4Very high94.8Very high18 Ų1875.3 Ų75.311%0.1136%0.361CS..Hα-helixtrans-66.2-35.2175.953.20000112.9W44 K45 I51 T52 V59W44-T48 HydrophobicContact CD2-CG2 4.45Å; W44-T48 HydrophobicContact CZ2-CG2 4.3Å; W44-T48 WeakPolarHBondContact O-CG2 3.45Å; W44-T48 PolarHBondContact O-N 3.29Å; W44-T48 PolarHBondContact O-OG1 2.72Å; K45-T48 PolarHBondContact O-N 3.1Å; K45-T48 VanDerWaalsContact O-N 3.16Å; K45-T48 PolarHBondContact O-OG1 2.83Å; T48-I51 PolarHBondContact O-N 3.32Å; T48-T52 PolarHBondContact O-N 3.16Å; T48-T52 PolarHBondContact O-OG1 2.79Å; T48-V59 VanDerWaalsContact CB-O 3.29Å; T48-V59 WeakPolarHBondContact CB-O 3.22Å; T48-V59 HydrophobicContact CG2-CB 4.5Å; T48-V59 HydrophobicContact CG2-CG1 4.33Å; T48-V59 WeakPolarHBondContact CG2-O 3.34Å
49E96.1Very high94.7Very high108 Ų10874.8 Ų74.851%0.50536%0.358SS..Hα-helixtrans-64.8-41.8172.3-69.3171.5-172.500110.9K45 E46 F47 T52 K53K45-E49 WeakPolarHBondContact CE-OE1 3.29Å; K45-E49 WeakPolarHBondContact O-CG 3.45Å; K45-E49 PolarHBondContact O-N 3.12Å; E46-E49 PolarHBondContact O-N 2.84Å; F47-E49 VanDerWaalsContact C-N 3.35Å; E49-T52 PolarHBondContact O-N 3.4Å; E49-K53 WeakPolarHBondContact O-CB 3.45Å; E49-K53 PolarHBondContact O-N 3.12Å
50W94.6Very high94.5Very high108 Ų10879.6 Ų79.641%0.40938%0.381SS..Hα-helixtrans-61.9-42.9173.4175.391.6000112.6E46 F47 K53 K54E46-W50 PolarHBondContact O-N 3.33Å; F47-W50 HydrophobicContact CD2-CE3 4.12Å; 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 4.37Å; F47-W50 WeakPolarHBondContact O-CB 3.45Å; F47-W50 PolarHBondContact O-N 2.7Å; W50-K53 PolarHBondContact O-N 3.19Å; W50-K54 HydrophobicContact CD2-CD 4.45Å; W50-K54 HydrophobicContact CH2-CD 3.54Å; W50-K54 HydrophobicContact CZ2-CD 3.17Å; W50-K54 HydrophobicContact CZ2-CG 4.48Å; W50-K54 HydrophobicContact CZ3-CD 4.3Å; W50-K54 VanDerWaalsContact O-CB 3.26Å; W50-K54 WeakPolarHBondContact O-CB 3.36Å; W50-K54 PolarHBondContact O-N 2.99Å
51I94.4Very high94.4Very high0 Ų084.9 Ų84.90%041%0.406CS..Hα-helixtrans-60-47.3175-73-176.1000110.4F47 T48 K53 K54 H55 W57 V59 V64 W66F47-I51 HydrophobicContact CD1-CD1 4.06Å; F47-I51 HydrophobicContact CE1-CD1 3.45Å; F47-I51 VanDerWaalsContact CE1-CD1 3.45Å; F47-I51 HydrophobicContact CE1-CG1 4.14Å; F47-I51 HydrophobicContact CZ-CD1 3.76Å; F47-I51 HydrophobicContact CZ-CG1 4.13Å; F47-I51 PolarHBondContact O-N 3.25Å; T48-I51 PolarHBondContact O-N 3.32Å; I51-K53 VanDerWaalsContact C-N 3.31Å; I51-K53 PolarHBondContact O-N 3.05Å; I51-K54 PolarHBondContact O-N 3.22Å; I51-H55 WeakPolarHBondContact O-CB 3.28Å; I51-H55 PolarHBondContact O-N 3.46Å; I51-W57 HydrophobicContact CG2-CB 4.09Å; I51-W57 HydrophobicContact CG2-CE3 3.97Å; I51-V59 HydrophobicContact CG2-CG2 4.01Å; I51-V64 HydrophobicContact CD1-CG1 3.65Å; I51-W66 HydrophobicContact CD1-CZ3 4.47Å
52T95.3Very high94.5Very high49 Ų4982.9 Ų82.930%0.30139%0.393SS..Hα-helixtrans-59.2-44.7179.8-54.20000110.6T48 E49 G56 W57 F58T48-T52 PolarHBondContact O-N 3.16Å; T48-T52 PolarHBondContact O-OG1 2.79Å; E49-T52 PolarHBondContact O-N 3.4Å; T52-G56 WeakPolarHBondContact O-CA 3.49Å; T52-G56 PolarHBondContact O-N 2.89Å; T52-W57 WeakPolarHBondContact CA-O 3.46Å; T52-W57 PolarHBondContact OG1-O 2.85Å; T52-F58 HydrophobicContact CG2-CD1 4.23Å; T52-F58 HydrophobicContact CG2-CE1 4.03Å
53K94Very high94.6Very high192 Ų19276 Ų7684%0.83536%0.362SS*.Hα-helixtrans-68.5-41.9179.1-174.3178.1179.5179.70113.2E49 W50 I51E49-K53 WeakPolarHBondContact O-CB 3.45Å; E49-K53 PolarHBondContact O-N 3.12Å; W50-K53 PolarHBondContact O-N 3.19Å; I51-K53 VanDerWaalsContact C-N 3.31Å; I51-K53 PolarHBondContact O-N 3.05Å
54K90.9Very high94.7Very high108 Ų10873.5 Ų73.547%0.4735%0.348SS..Hα-helixtrans-80.9-38.2-174-174.3175.9177-173.10112.8W50 I51W50-K54 HydrophobicContact CD2-CD 4.45Å; W50-K54 HydrophobicContact CH2-CD 3.54Å; W50-K54 HydrophobicContact CZ2-CD 3.17Å; W50-K54 HydrophobicContact CZ2-CG 4.48Å; W50-K54 HydrophobicContact CZ3-CD 4.3Å; W50-K54 VanDerWaalsContact O-CB 3.26Å; W50-K54 WeakPolarHBondContact O-CB 3.36Å; W50-K54 PolarHBondContact O-N 2.99Å; I51-K54 PolarHBondContact O-N 3.22Å
55H91.9Very high94.8Very high38 Ų3872.9 Ų72.918%0.17635%0.346CS..Hα-helixtrans-117.6-14.8-170.8-62.8-76.7000114.1I51 W57I51-H55 WeakPolarHBondContact O-CB 3.28Å; I51-H55 PolarHBondContact O-N 3.46Å; H55-W57 VanDerWaalsContact C-N 3.31Å; H55-W57 HydrophobicContact CB-CD2 3.47Å; H55-W57 VanDerWaalsContact CB-CD2 3.47Å; H55-W57 HydrophobicContact CB-CE3 3.59Å; H55-W57 HydrophobicContact CB-CG 4.02Å; H55-W57 HydrophobicContact CB-CH2 3.99Å; H55-W57 HydrophobicContact CB-CZ2 3.87Å; H55-W57 HydrophobicContact CB-CZ3 3.85Å; H55-W57 AromaticContact CG-CE3 3.99Å; H55-W57 AromaticContact CG-CH2 3.84Å; H55-W57 AromaticContact CG-CZ3 3.75Å; H55-W57 AromaticContact ND1-CH2 3.72Å; H55-W57 PolarHBondContact O-NE1 3.34Å
56G93.6Very high94.8Very high50 Ų5066.1 Ų66.152%0.51532%0.316SS..  trans75.916.5-177.300000114.1T52T52-G56 WeakPolarHBondContact O-CA 3.49Å; T52-G56 PolarHBondContact O-N 2.89Å
57W95.3Very high94.7Very high40 Ų4064.6 Ų64.615%0.15231%0.305CS..  trans-98.5134.7-178.7-52.4-28.5000111.1I51 T52 H55 V59 W66 G76 L78I51-W57 HydrophobicContact CG2-CB 4.09Å; I51-W57 HydrophobicContact CG2-CE3 3.97Å; T52-W57 WeakPolarHBondContact CA-O 3.46Å; T52-W57 PolarHBondContact OG1-O 2.85Å; H55-W57 VanDerWaalsContact C-N 3.31Å; H55-W57 HydrophobicContact CB-CD2 3.47Å; H55-W57 VanDerWaalsContact CB-CD2 3.47Å; H55-W57 HydrophobicContact CB-CE3 3.59Å; H55-W57 HydrophobicContact CB-CG 4.02Å; H55-W57 HydrophobicContact CB-CH2 3.99Å; H55-W57 HydrophobicContact CB-CZ2 3.87Å; H55-W57 HydrophobicContact CB-CZ3 3.85Å; H55-W57 AromaticContact CG-CE3 3.99Å; H55-W57 AromaticContact CG-CH2 3.84Å; H55-W57 AromaticContact CG-CZ3 3.75Å; H55-W57 AromaticContact ND1-CH2 3.72Å; H55-W57 PolarHBondContact O-NE1 3.34Å; W57-V59 HydrophobicContact CB-CG2 4.26Å; W57-W66 HydrophobicContact CH2-CB 3.67Å; W57-W66 AromaticContact CH2-CG 3.85Å; W57-W66 HydrophobicContact CH2-CG 3.85Å; W57-W66 HydrophobicContact CZ3-CB 3.69Å; W57-W66 HydrophobicContact CZ3-CD2 4.04Å; W57-W66 HydrophobicContact CZ3-CE3 4.4Å; W57-W66 AromaticContact CZ3-CG 3.78Å; W57-W66 HydrophobicContact CZ3-CG 3.78Å; W57-G76 WeakPolarHBondContact CZ2-O 3.36Å; W57-L78 HydrophobicContact CB-CD2 4.16Å; W57-L78 HydrophobicContact CD2-CB 3.77Å; W57-L78 HydrophobicContact CD2-CD1 4.25Å; W57-L78 HydrophobicContact CD2-CD2 4.4Å; W57-L78 HydrophobicContact CD2-CG 4.36Å; W57-L78 HydrophobicContact CE3-CB 4.12Å; W57-L78 HydrophobicContact CE3-CD1 3.93Å; W57-L78 HydrophobicContact CG-CB 4.18Å; W57-L78 HydrophobicContact CG-CD2 4.07Å; W57-L78 HydrophobicContact CH2-CB 4.42Å; W57-L78 HydrophobicContact CZ2-CB 4.09Å; W57-L78 HydrophobicContact CZ3-CB 4.43Å; W57-L78 HydrophobicContact CZ3-CD1 4.41Å
58F93.6Very high94.5Very high184 Ų18464.4 Ų64.481%0.80730%0.304SS*.  trans-88.5113172.4-63.4-79.1000109.3T52T52-F58 HydrophobicContact CG2-CD1 4.23Å; T52-F58 HydrophobicContact CG2-CE1 4.03Å
59V93.3Very high93.7Very high20 Ų2068.1 Ų68.112%0.12132%0.322CS..  trans-129.8122.2-178179.20000107.8T48 I51 W57 V64T48-V59 VanDerWaalsContact CB-O 3.29Å; T48-V59 WeakPolarHBondContact CB-O 3.22Å; T48-V59 HydrophobicContact CG2-CB 4.5Å; T48-V59 HydrophobicContact CG2-CG1 4.33Å; T48-V59 WeakPolarHBondContact CG2-O 3.34Å; I51-V59 HydrophobicContact CG2-CG2 4.01Å; W57-V59 HydrophobicContact CB-CG2 4.26Å; V59-V64 HydrophobicContact CG1-CB 3.8Å; V59-V64 HydrophobicContact CG1-CG1 4.16Å; V59-V64 HydrophobicContact CG1-CG2 4.12Å; V59-V64 HydrophobicContact CG2-CB 4.49Å; V59-V64 HydrophobicContact CG2-CG2 3.89Å
60E91.1Very high92.6Very high165 Ų16567.8 Ų67.877%0.77133%0.328SS*.  trans-106.7-48.3177.1-64.7-176.3168.900110.8W44W44-E60 PolarHBondContact NE1-O 2.95Å; W44-E60 VanDerWaalsContact NE1-O 3.08Å
61E94.1Very high91.7Very high134 Ų13467.9 Ų67.963%0.62634%0.336SS*.SBendtrans-96.5156.6-171.9-69.7-5915700114.3K9K9-E61 IonicContact NZ-OE2 3.15Å
62S96.5Very high90.8Very high8 Ų874.6 Ų74.66%0.05637%0.367CS..SBendtrans-95.7142.8172.3169.60000110.3G8 K9 C12G8-S62 VanDerWaalsContact CA-OG 3.28Å; G8-S62 WeakPolarHBondContact CA-OG 3.42Å; K9-S62 PolarHBondContact N-OG 3.49Å; C12-S62 VanDerWaalsContact CB-OG 3.31Å; C12-S62 WeakPolarHBondContact CB-OG 3.22Å; C12-S62 PolarHBondContact SG-O 3.38Å; C12-S62 PolarHBondContact SG-OG 3.02Å; C12-S62 VanDerWaalsContact SG-OG 3.36Å
63P97.4Very high89.9Confident7 Ų774.3 Ų74.35%0.04537%0.374CS..PPolyproline II helixcis-88172.3-3.335.8-36.5000113A7 Y15 I18 G81 A82A7-P63 CarbonylContact O-C 3.57Å; A7-P63 VanDerWaalsContact O-CA 3.24Å; A7-P63 WeakPolarHBondContact O-CA 3.49Å; A7-P63 VanDerWaalsContact O-CB 3.23Å; A7-P63 WeakPolarHBondContact O-CB 3.33Å; Y15-P63 HydrophobicContact CD2-CB 3.93Å; Y15-P63 HydrophobicContact CG-CB 4.47Å; I18-P63 HydrophobicContact CD1-CB 3.71Å; I18-P63 HydrophobicContact CD1-CG 3.38Å; I18-P63 HydrophobicContact CG1-CB 4.48Å; I18-P63 HydrophobicContact CG1-CG 4.02Å; P63-G81 VanDerWaalsContact O-CA 3.28Å; P63-G81 WeakPolarHBondContact O-CA 3.06Å; P63-A82 HydrophobicContact CG-CB 3.72Å
64V97.6Very high89.2Confident3 Ų366.7 Ų66.72%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-125.4138.6166.859.90000110.2A7 W44 F47 I51 V59 W66 L78 G80A7-V64 HydrophobicContact CB-CG1 3.94Å; A7-V64 PolarHBondContact N-O 2.88Å; A7-V64 PolarHBondContact O-N 2.91Å; W44-V64 HydrophobicContact CH2-CG1 4.14Å; F47-V64 HydrophobicContact CE1-CG1 4.43Å; I51-V64 HydrophobicContact CD1-CG1 3.65Å; V59-V64 HydrophobicContact CG1-CB 3.8Å; V59-V64 HydrophobicContact CG1-CG1 4.16Å; V59-V64 HydrophobicContact CG1-CG2 4.12Å; V59-V64 HydrophobicContact CG2-CB 4.49Å; V59-V64 HydrophobicContact CG2-CG2 3.89Å; V64-W66 HydrophobicContact CG1-CZ3 4.14Å; V64-L78 HydrophobicContact CG2-CD1 3.6Å; V64-G80 CarbonylContact C-O 3.55Å; V64-G80 WeakPolarHBondContact CA-O 3.24Å
65V97.4Very high89Confident0 Ų069.8 Ų69.80%036%0.364CS..EExtended strand (participates in β ladder)trans-127.5136.1-177.3-172.40000109.8V5 I6 I18 I79 G80 F85V5-V65 WeakPolarHBondContact O-CA 3.23Å; I6-V65 HydrophobicContact CB-CG2 4.47Å; I6-V65 HydrophobicContact CG2-CB 4.48Å; I6-V65 HydrophobicContact CG2-CG1 3.88Å; I6-V65 HydrophobicContact CG2-CG2 3.93Å; I18-V65 HydrophobicContact CD1-CG2 3.47Å; I18-V65 VanDerWaalsContact CD1-CG2 3.47Å; V65-I79 HydrophobicContact CB-CB 4.41Å; V65-I79 HydrophobicContact CG1-CB 4.44Å; V65-I79 HydrophobicContact CG1-CD1 4.01Å; V65-I79 WeakPolarHBondContact O-CB 3.24Å; V65-I79 PolarHBondContact O-N 3.37Å; V65-G80 PolarHBondContact N-O 3.42Å; V65-G80 PolarHBondContact O-N 3.04Å; V65-F85 HydrophobicContact CB-CB 4.23Å; V65-F85 HydrophobicContact CB-CD2 4.42Å; V65-F85 HydrophobicContact CB-CG 4.44Å; V65-F85 HydrophobicContact CG1-CB 4.29Å; V65-F85 HydrophobicContact CG1-CD2 3.58Å; V65-F85 HydrophobicContact CG1-CE2 4.08Å; V65-F85 HydrophobicContact CG1-CG 4.01Å; V65-F85 HydrophobicContact CG2-CB 3.92Å; V65-F85 HydrophobicContact CG2-CG 4.15Å
66W95.8Very high88.9Confident4 Ų468.4 Ų68.42%0.01536%0.36CS..EExtended strand (participates in β ladder)trans-139.8160.4171.867.994.6000111.2F4 V5 A7 I37 F47 I51 W57 V64 E68 I77F4-W66 WeakPolarHBondContact CA-O 3.43Å; V5-W66 HydrophobicContact CB-CD2 3.75Å; V5-W66 HydrophobicContact CB-CE3 4.19Å; V5-W66 HydrophobicContact CB-CG 4.31Å; V5-W66 HydrophobicContact CB-CH2 3.99Å; V5-W66 HydrophobicContact CB-CZ2 3.5Å; V5-W66 HydrophobicContact CB-CZ3 4.29Å; V5-W66 HydrophobicContact CG1-CD2 4.3Å; V5-W66 HydrophobicContact CG1-CE3 4.41Å; V5-W66 HydrophobicContact CG1-CH2 3.42Å; V5-W66 VanDerWaalsContact CG1-CH2 3.42Å; V5-W66 HydrophobicContact CG1-CZ2 3.23Å; V5-W66 HydrophobicContact CG1-CZ3 4Å; V5-W66 HydrophobicContact CG2-CD2 4.42Å; V5-W66 HydrophobicContact CG2-CZ2 3.96Å; V5-W66 PolarHBondContact N-O 2.88Å; V5-W66 PolarHBondContact O-N 3.41Å; A7-W66 HydrophobicContact CB-CH2 4.13Å; A7-W66 HydrophobicContact CB-CZ3 3.8Å; I37-W66 HydrophobicContact CD1-CH2 3.84Å; I37-W66 HydrophobicContact CD1-CZ2 4.18Å; F47-W66 HydrophobicContact CZ-CH2 4.41Å; I51-W66 HydrophobicContact CD1-CZ3 4.47Å; W57-W66 HydrophobicContact CH2-CB 3.67Å; W57-W66 AromaticContact CH2-CG 3.85Å; W57-W66 HydrophobicContact CH2-CG 3.85Å; W57-W66 HydrophobicContact CZ3-CB 3.69Å; W57-W66 HydrophobicContact CZ3-CD2 4.04Å; W57-W66 HydrophobicContact CZ3-CE3 4.4Å; W57-W66 AromaticContact CZ3-CG 3.78Å; W57-W66 HydrophobicContact CZ3-CG 3.78Å; V64-W66 HydrophobicContact CG1-CZ3 4.14Å; W66-E68 PolarHBondContact NE1-OE1 2.93Å; W66-I77 CarbonylContact C-O 3.52Å; W66-I77 VanDerWaalsContact CA-O 3.27Å; W66-I77 WeakPolarHBondContact CA-O 3.3Å; W66-I77 VanDerWaalsContact CB-O 3.26Å; W66-I77 WeakPolarHBondContact CB-O 3.29Å
67R94Very high88.9Confident108 Ų10870.5 Ų70.541%0.40836%0.359SS..EExtended strand (participates in β ladder)trans-104.9138174.7-179.4178.7173.9-173.7-0.7110.3L3 F4 G76 I77 I79L3-R67 CarbonylContact O-C 3.56Å; L3-R67 VanDerWaalsContact O-CA 3.32Å; L3-R67 WeakPolarHBondContact O-CA 3.49Å; L3-R67 WeakPolarHBondContact O-CG 3.34Å; F4-R67 HydrophobicContact CD1-CB 4.42Å; F4-R67 HydrophobicContact CE1-CB 4.43Å; R67-G76 CarbonylContact O-C 3.06Å; R67-G76 VanDerWaalsContact O-CA 3.23Å; R67-G76 WeakPolarHBondContact O-CA 3.38Å; R67-I77 PolarHBondContact N-O 3.22Å; R67-I77 PolarHBondContact O-N 2.83Å; R67-I79 HydrophobicContact CB-CD1 3.98Å
68E91Very high88.9Confident8 Ų871.8 Ų71.84%0.03737%0.368CS..EExtended strand (participates in β ladder)trans-103.6141.1171.9-64.3-179.516000110.3L3 V5 W66 Q72 G73L3-E68 HydrophobicContact CB-CB 4.02Å; L3-E68 HydrophobicContact CD1-CB 4.45Å; L3-E68 PolarHBondContact O-N 3.33Å; V5-E68 HydrophobicContact CG2-CG 4.02Å; W66-E68 PolarHBondContact NE1-OE1 2.93Å; E68-Q72 WeakPolarHBondContact OE2-CA 3.39Å; E68-G73 VanDerWaalsContact CD-N 3.28Å; E68-G73 WeakPolarHBondContact OE1-CA 3.29Å; E68-G73 PolarHBondContact OE1-N 3.46Å; E68-G73 PolarHBondContact OE2-N 2.88Å
69L78.9Confident89Confident96 Ų9664.6 Ų64.650%0.50334%0.338SS..SBendtrans-84.6-36.5-167.7-71173.6000114.4I77L69-I77 HydrophobicContact CD2-CD1 4Å; L69-I77 HydrophobicContact CG-CD1 4.46Å
70V74.1Confident89.1Confident102 Ų10264.5 Ų64.562%0.61834%0.341SS*.SBendtrans-131.9-64.5-168.2-169.20000110.8L3L3-V70 WeakPolarHBondContact CD1-O 2.97Å
71D76.2Confident89.4Confident109 Ų10957.5 Ų57.558%0.58331%0.313SS*.SBendtrans-124.3156.7-177.2-62.2-50.4000111.9G73 G74D71-G73 PolarHBondContact O-N 3.31Å; D71-G74 PolarHBondContact O-N 3.18Å
72Q75.1Confident89.4Confident141 Ų14151.5 Ų51.566%0.65929%0.286SS*.THydrogen-bonded Turntrans-58.2125.5173.3-173179.2-9.700110.3T35 E68T35-Q72 PolarHBondContact OG1-NE2 2.86Å; E68-Q72 WeakPolarHBondContact OE2-CA 3.39Å
73G76.1Confident89.3Confident43 Ų4355.5 Ų55.544%0.44331%0.307SS..THydrogen-bonded Turntrans84.63.3-176.600000115.3E68 D71E68-G73 VanDerWaalsContact CD-N 3.28Å; E68-G73 WeakPolarHBondContact OE1-CA 3.29Å; E68-G73 PolarHBondContact OE1-N 3.46Å; E68-G73 PolarHBondContact OE2-N 2.88Å; D71-G73 PolarHBondContact O-N 3.31Å
74G80.1Confident89.2Confident32 Ų3259.4 Ų59.433%0.3332%0.324SS..SBendtrans-72.9-167.5175.200000114.3D71 G76D71-G74 PolarHBondContact O-N 3.18Å; G74-G76 PolarHBondContact O-N 2.82Å; G74-G76 VanDerWaalsContact O-N 3.17Å
75K85.4Confident89.1Confident173 Ų17359.3 Ų59.375%0.75232%0.324SS*.  trans-62.4119.5177.4-172.7177.4-178.1178.70110.3
76G89.7Confident88.9Confident10 Ų1061 Ų6110%0.10333%0.332CS..EExtended strand (participates in β ladder)trans-91.3156.817800000113.6W57 R67 G74W57-G76 WeakPolarHBondContact CZ2-O 3.36Å; R67-G76 CarbonylContact O-C 3.06Å; R67-G76 VanDerWaalsContact O-CA 3.23Å; R67-G76 WeakPolarHBondContact O-CA 3.38Å; G74-G76 PolarHBondContact O-N 2.82Å; G74-G76 VanDerWaalsContact O-N 3.17Å
77I93.5Very high88.9Confident94 Ų9467.3 Ų67.348%0.48236%0.361SS..EExtended strand (participates in β ladder)trans-119.9119.7165.7-60.3174.6000107.4W66 R67 L69 I79W66-I77 CarbonylContact C-O 3.52Å; W66-I77 VanDerWaalsContact CA-O 3.27Å; W66-I77 WeakPolarHBondContact CA-O 3.3Å; W66-I77 VanDerWaalsContact CB-O 3.26Å; W66-I77 WeakPolarHBondContact CB-O 3.29Å; R67-I77 PolarHBondContact N-O 3.22Å; R67-I77 PolarHBondContact O-N 2.83Å; L69-I77 HydrophobicContact CD2-CD1 4Å; L69-I77 HydrophobicContact CG-CD1 4.46Å; I77-I79 PolarHBondContact O-N 3.44Å
78L95.6Very high88.9Confident66 Ų6664.1 Ų64.135%0.34635%0.352SS..EExtended strand (participates in β ladder)trans-60.4130.5176.4-177.764.5000110.3W57 V64W57-L78 HydrophobicContact CB-CD2 4.16Å; W57-L78 HydrophobicContact CD2-CB 3.77Å; W57-L78 HydrophobicContact CD2-CD1 4.25Å; W57-L78 HydrophobicContact CD2-CD2 4.4Å; W57-L78 HydrophobicContact CD2-CG 4.36Å; W57-L78 HydrophobicContact CE3-CB 4.12Å; W57-L78 HydrophobicContact CE3-CD1 3.93Å; W57-L78 HydrophobicContact CG-CB 4.18Å; W57-L78 HydrophobicContact CG-CD2 4.07Å; W57-L78 HydrophobicContact CH2-CB 4.42Å; W57-L78 HydrophobicContact CZ2-CB 4.09Å; W57-L78 HydrophobicContact CZ3-CB 4.43Å; W57-L78 HydrophobicContact CZ3-CD1 4.41Å; V64-L78 HydrophobicContact CG2-CD1 3.6Å
79I95.4Very high89.1Confident34 Ų3463.8 Ų63.817%0.17435%0.35CS..EExtended strand (participates in β ladder)trans-96.5-46.2171.2-68.3163.1000109.6F4 V65 R67 I77 E84 F85 L88F4-I79 HydrophobicContact CD1-CD1 3.5Å; F4-I79 VanDerWaalsContact CD1-CD1 3.5Å; F4-I79 HydrophobicContact CE1-CD1 3.43Å; F4-I79 VanDerWaalsContact CE1-CD1 3.43Å; V65-I79 HydrophobicContact CB-CB 4.41Å; V65-I79 HydrophobicContact CG1-CB 4.44Å; V65-I79 HydrophobicContact CG1-CD1 4.01Å; V65-I79 WeakPolarHBondContact O-CB 3.24Å; V65-I79 PolarHBondContact O-N 3.37Å; R67-I79 HydrophobicContact CB-CD1 3.98Å; I77-I79 PolarHBondContact O-N 3.44Å; I79-E84 HydrophobicContact CG2-CB 4.32Å; I79-E84 WeakPolarHBondContact O-CB 3.36Å; I79-F85 HydrophobicContact CG2-CB 4.45Å; I79-L88 HydrophobicContact CD1-CD1 3.97Å; I79-L88 HydrophobicContact CG1-CD1 4Å; I79-L88 HydrophobicContact CG2-CD1 3.89Å
80G96.7Very high89.8Confident18 Ų1860.4 Ų60.419%0.18634%0.336CS..EExtended strand (participates in β ladder)trans137.4-148.1-178.900000111.5V64 V65V64-G80 CarbonylContact C-O 3.55Å; V64-G80 WeakPolarHBondContact CA-O 3.24Å; V65-G80 PolarHBondContact N-O 3.42Å; V65-G80 PolarHBondContact O-N 3.04Å
81G96.3Very high90.7Very high18 Ų1859.4 Ų59.419%0.18634%0.339CS..SBendtrans-93.7-153.7176.600000112.9P63 N83 E84 F85P63-G81 VanDerWaalsContact O-CA 3.28Å; P63-G81 WeakPolarHBondContact O-CA 3.06Å; G81-N83 VanDerWaalsContact C-N 3.33Å; G81-N83 PolarHBondContact O-N 3.26Å; G81-E84 VanDerWaalsContact C-OE2 3.32Å; G81-E84 VanDerWaalsContact CA-OE2 3.27Å; G81-E84 WeakPolarHBondContact CA-OE2 3.44Å; G81-E84 PolarHBondContact N-OE2 3.45Å; G81-F85 WeakPolarHBondContact O-CB 3.3Å; G81-F85 PolarHBondContact O-N 3.41Å
82A94.5Very high91.4Very high7 Ų763.1 Ų63.16%0.05835%0.346CS..Hα-helixtrans-66.3-33.7-175.100000113.7F14 I18 P63 Q86F14-A82 HydrophobicContact CB-CB 3.89Å; I18-A82 HydrophobicContact CG2-CB 3.71Å; P63-A82 HydrophobicContact CG-CB 3.72Å; A82-Q86 WeakPolarHBondContact O-CB 3.43Å; A82-Q86 PolarHBondContact O-N 2.66Å
83N94.1Very high92.2Very high92 Ų9260.1 Ų60.149%0.49233%0.329SS..Hα-helixtrans-77.2-45.6-176.3-67.3-17.9000110.5R17 G81 F85 Q86 E87R17-N83 PolarHBondContact NH2-OD1 2.91Å; G81-N83 VanDerWaalsContact C-N 3.33Å; G81-N83 PolarHBondContact O-N 3.26Å; N83-F85 VanDerWaalsContact C-N 3.29Å; N83-F85 PolarHBondContact O-N 3.45Å; N83-Q86 PolarHBondContact O-N 3.24Å; N83-Q86 VanDerWaalsContact O-N 3.1Å; N83-E87 WeakPolarHBondContact O-CG 3.27Å; N83-E87 PolarHBondContact O-N 3.04Å
84E95.8Very high92.9Very high90 Ų9061.3 Ų61.342%0.42134%0.341SS..Hα-helixtrans-61.4-39.7178.1-62.275.7-168.300111.1I79 G81 L88I79-E84 HydrophobicContact CG2-CB 4.32Å; I79-E84 WeakPolarHBondContact O-CB 3.36Å; G81-E84 VanDerWaalsContact C-OE2 3.32Å; G81-E84 VanDerWaalsContact CA-OE2 3.27Å; G81-E84 WeakPolarHBondContact CA-OE2 3.44Å; G81-E84 PolarHBondContact N-OE2 3.45Å; E84-L88 WeakPolarHBondContact O-CB 3.44Å; E84-L88 PolarHBondContact O-N 2.83Å
85F95.6Very high93.2Very high0 Ų062.6 Ų62.60%034%0.339CS..Hα-helixtrans-65.8-42.7173.8-179.1-115000112.4F4 I18 L21 A22 L25 F32 V65 I79 G81 N83 L88 V89F4-F85 HydrophobicContact CD1-CD2 4.41Å; F4-F85 AromaticContact CD1-CE2 3.81Å; F4-F85 HydrophobicContact CD1-CE2 3.81Å; F4-F85 HydrophobicContact CE1-CE2 4.08Å; F4-F85 HydrophobicContact CG-CE2 4.24Å; I18-F85 HydrophobicContact CB-CD1 3.87Å; I18-F85 HydrophobicContact CB-CE1 4.28Å; I18-F85 HydrophobicContact CD1-CD1 4.48Å; I18-F85 HydrophobicContact CG2-CD1 3.99Å; L21-F85 HydrophobicContact CD2-CE1 4.35Å; A22-F85 HydrophobicContact CB-CE1 4.18Å; A22-F85 HydrophobicContact CB-CZ 4.2Å; L25-F85 HydrophobicContact CD1-CZ 4.47Å; F32-F85 HydrophobicContact CZ-CZ 4.31Å; V65-F85 HydrophobicContact CB-CB 4.23Å; V65-F85 HydrophobicContact CB-CD2 4.42Å; V65-F85 HydrophobicContact CB-CG 4.44Å; V65-F85 HydrophobicContact CG1-CB 4.29Å; V65-F85 HydrophobicContact CG1-CD2 3.58Å; V65-F85 HydrophobicContact CG1-CE2 4.08Å; V65-F85 HydrophobicContact CG1-CG 4.01Å; V65-F85 HydrophobicContact CG2-CB 3.92Å; V65-F85 HydrophobicContact CG2-CG 4.15Å; I79-F85 HydrophobicContact CG2-CB 4.45Å; G81-F85 WeakPolarHBondContact O-CB 3.3Å; G81-F85 PolarHBondContact O-N 3.41Å; N83-F85 VanDerWaalsContact C-N 3.29Å; N83-F85 PolarHBondContact O-N 3.45Å; F85-L88 PolarHBondContact O-N 2.85Å; F85-V89 HydrophobicContact CD1-CG2 4.29Å; F85-V89 HydrophobicContact CD2-CG2 4.12Å; F85-V89 HydrophobicContact CE1-CG2 3.91Å; F85-V89 HydrophobicContact CE2-CG2 3.72Å; F85-V89 HydrophobicContact CG-CG2 4.41Å; F85-V89 HydrophobicContact CZ-CG2 3.62Å; F85-V89 WeakPolarHBondContact O-CB 3.32Å; F85-V89 VanDerWaalsContact O-CG2 3.29Å; F85-V89 WeakPolarHBondContact O-CG2 3.48Å; F85-V89 PolarHBondContact O-N 2.88Å
86Q94.1Very high93.2Very high36 Ų3660.4 Ų60.417%0.16833%0.331CS..Hα-helixtrans-65.5-39178.6-177.6167.3-13.700112L21 A82 N83 V89 A90 T97L21-Q86 HydrophobicContact CD2-CG 4.48Å; A82-Q86 WeakPolarHBondContact O-CB 3.43Å; A82-Q86 PolarHBondContact O-N 2.66Å; N83-Q86 PolarHBondContact O-N 3.24Å; N83-Q86 VanDerWaalsContact O-N 3.1Å; Q86-V89 PolarHBondContact O-N 3.19Å; Q86-A90 WeakPolarHBondContact O-CB 3.2Å; Q86-A90 PolarHBondContact O-N 3.3Å; Q86-T97 PolarHBondContact NE2-O 3.4Å
87E94.9Very high92.8Very high136 Ų13661.2 Ų61.264%0.63633%0.334SS*.Hα-helixtrans-62.9-45.5173.7-74176.8-172.900111.6N83 V89 A90 A91N83-E87 WeakPolarHBondContact O-CG 3.27Å; N83-E87 PolarHBondContact O-N 3.04Å; E87-V89 PolarHBondContact O-N 3.49Å; E87-A90 PolarHBondContact O-N 2.79Å; E87-A91 WeakPolarHBondContact O-CB 3.49Å; E87-A91 PolarHBondContact O-N 2.92Å
88L94.5Very high92.2Very high42 Ų4264.7 Ų64.722%0.2235%0.353CS..Hα-helixtrans-59.3-48175-176156.1000110.8F4 I79 E84 F85 A90 A91 Y92 Y93F4-L88 HydrophobicContact CE1-CD2 4.02Å; F4-L88 HydrophobicContact CZ-CD2 4.02Å; I79-L88 HydrophobicContact CD1-CD1 3.97Å; I79-L88 HydrophobicContact CG1-CD1 4Å; I79-L88 HydrophobicContact CG2-CD1 3.89Å; E84-L88 WeakPolarHBondContact O-CB 3.44Å; E84-L88 PolarHBondContact O-N 2.83Å; F85-L88 PolarHBondContact O-N 2.85Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 2.9Å; L88-A91 PolarHBondContact O-N 3.27Å; L88-Y92 HydrophobicContact CD2-CD2 4.18Å; L88-Y92 HydrophobicContact CG-CD2 3.87Å; L88-Y92 HydrophobicContact CG-CE2 4.26Å; L88-Y92 WeakPolarHBondContact O-CD2 3.42Å; L88-Y92 PolarHBondContact O-N 2.93Å; L88-Y93 HydrophobicContact CD2-CE2 4.28Å
89V93.6Very high91.7Very high0 Ų062.8 Ų62.80%034%0.342CS..Hα-helixtrans-62.5-43.5-179.4170.80000111.4L21 L25 F85 Q86 E87 A91 Y93 G94 E95L21-V89 HydrophobicContact CD1-CG1 4.16Å; L21-V89 HydrophobicContact CD2-CB 4.24Å; L21-V89 HydrophobicContact CD2-CG1 4.11Å; L21-V89 HydrophobicContact CD2-CG2 4.37Å; L21-V89 HydrophobicContact CG-CG1 4.27Å; L25-V89 HydrophobicContact CD1-CB 4.26Å; L25-V89 HydrophobicContact CD1-CG1 3.54Å; L25-V89 HydrophobicContact CD1-CG2 3.59Å; L25-V89 HydrophobicContact CD2-CG1 4.06Å; L25-V89 HydrophobicContact CG-CG1 4.31Å; F85-V89 HydrophobicContact CD1-CG2 4.29Å; F85-V89 HydrophobicContact CD2-CG2 4.12Å; F85-V89 HydrophobicContact CE1-CG2 3.91Å; F85-V89 HydrophobicContact CE2-CG2 3.72Å; F85-V89 HydrophobicContact CG-CG2 4.41Å; F85-V89 HydrophobicContact CZ-CG2 3.62Å; F85-V89 WeakPolarHBondContact O-CB 3.32Å; F85-V89 VanDerWaalsContact O-CG2 3.29Å; F85-V89 WeakPolarHBondContact O-CG2 3.48Å; F85-V89 PolarHBondContact O-N 2.88Å; Q86-V89 PolarHBondContact O-N 3.19Å; E87-V89 PolarHBondContact O-N 3.49Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 3.37Å; V89-Y93 CarbonylContact O-C 3.58Å; V89-Y93 WeakPolarHBondContact O-CA 3.46Å; V89-Y93 WeakPolarHBondContact O-CB 3.3Å; V89-Y93 PolarHBondContact O-N 3.33Å; V89-G94 PolarHBondContact O-N 2.98Å; V89-E95 HydrophobicContact CG1-CB 3.75Å; V89-E95 WeakPolarHBondContact CG1-O 3.24Å
90A93.6Very high91.4Very high25 Ų2569.5 Ų69.521%0.20737%0.365CS..Hα-helixtrans-60.3-44.7176.600000111.8Q86 E87 L88 G94 E95 Q96Q86-A90 WeakPolarHBondContact O-CB 3.2Å; Q86-A90 PolarHBondContact O-N 3.3Å; E87-A90 PolarHBondContact O-N 2.79Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 2.9Å; A90-G94 WeakPolarHBondContact O-CA 3.46Å; A90-G94 PolarHBondContact O-N 2.93Å; A90-E95 VanDerWaalsContact CA-O 3.29Å; A90-E95 WeakPolarHBondContact CA-O 3.45Å; A90-E95 PolarHBondContact N-O 2.97Å; A90-Q96 HydrophobicContact CB-CG 3.69Å
91A93.6Very high91Very high81 Ų8173.6 Ų73.667%0.66939%0.387SS*.Hα-helixtrans-70.7-41.9-176.700000113.2E87 L88 V89E87-A91 WeakPolarHBondContact O-CB 3.49Å; E87-A91 PolarHBondContact O-N 2.92Å; L88-A91 PolarHBondContact O-N 3.27Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 3.37Å
92Y92Very high90.8Very high187 Ų18777 Ų7773%0.73340%0.401SS*.Hα-helixtrans-96.7-25.8-172.5-74.2-81.3000114.4L88L88-Y92 HydrophobicContact CD2-CD2 4.18Å; L88-Y92 HydrophobicContact CG-CD2 3.87Å; L88-Y92 HydrophobicContact CG-CE2 4.26Å; L88-Y92 WeakPolarHBondContact O-CD2 3.42Å; L88-Y92 PolarHBondContact O-N 2.93Å
93Y91.3Very high90.6Very high79 Ų7980.8 Ų80.831%0.3142%0.417SS..Hα-helixtrans-121.9-5-174.3-57.6-82.2000113.3A2 F4 L25 L29 F32 L88 V89 E95A2-Y93 WeakPolarHBondContact CB-OH 3.36Å; F4-Y93 HydrophobicContact CZ-CE2 4.36Å; L25-Y93 HydrophobicContact CD2-CG 4.49Å; L29-Y93 HydrophobicContact CD1-CD1 3.38Å; L29-Y93 HydrophobicContact CD1-CE1 3.83Å; L29-Y93 HydrophobicContact CD1-CG 4.11Å; F32-Y93 AromaticContact CD2-CE1 3.86Å; F32-Y93 HydrophobicContact CD2-CE1 3.86Å; F32-Y93 HydrophobicContact CD2-CE2 4.21Å; F32-Y93 AromaticContact CD2-CZ 3.68Å; F32-Y93 HydrophobicContact CE2-CD2 4.26Å; F32-Y93 HydrophobicContact CE2-CE1 4.19Å; F32-Y93 AromaticContact CE2-CE2 3.7Å; F32-Y93 HydrophobicContact CE2-CE2 3.7Å; F32-Y93 AromaticContact CE2-CZ 3.65Å; L88-Y93 HydrophobicContact CD2-CE2 4.28Å; V89-Y93 CarbonylContact O-C 3.58Å; V89-Y93 WeakPolarHBondContact O-CA 3.46Å; V89-Y93 WeakPolarHBondContact O-CB 3.3Å; V89-Y93 PolarHBondContact O-N 3.33Å; Y93-E95 PolarHBondContact O-N 3.25Å
94G90.4Very high90.5Very high67 Ų6777 Ų7769%0.69140%0.397SS*.  trans67.517.217900000113.9V89 A90V89-G94 PolarHBondContact O-N 2.98Å; A90-G94 WeakPolarHBondContact O-CA 3.46Å; A90-G94 PolarHBondContact O-N 2.93Å
95E87.6Confident90.3Very high60 Ų6076 Ų7628%0.2839%0.394SS..  trans-109.2138.4-174.4-75.8-72172.400110.7K24 L25 V89 A90 Y93K24-E95 IonicContact NZ-OE1 2.67Å; K24-E95 IonicContact NZ-OE2 2.7Å; K24-E95 PolarHBondContact NZ-OE2 2.96Å; L25-E95 HydrophobicContact CD2-CB 3.92Å; L25-E95 HydrophobicContact CD2-CG 3.82Å; V89-E95 HydrophobicContact CG1-CB 3.75Å; V89-E95 WeakPolarHBondContact CG1-O 3.24Å; A90-E95 VanDerWaalsContact CA-O 3.29Å; A90-E95 WeakPolarHBondContact CA-O 3.45Å; A90-E95 PolarHBondContact N-O 2.97Å; Y93-E95 PolarHBondContact O-N 3.25Å
96Q83.7Confident90.2Very high126 Ų12680 Ų8059%0.58942%0.416SS*.  trans-138.6155.4175-71-171.1-0.600110.1A90A90-Q96 HydrophobicContact CB-CG 3.69Å
97T81.9Confident90.1Very high28 Ų2879.7 Ų79.717%0.17242%0.415CS..  trans-114.9124.2173.4-174.10000110.2R17 L21 Q86R17-T97 HydrophobicContact CG-CG2 3.64Å; L21-T97 HydrophobicContact CB-CG2 4.3Å; L21-T97 HydrophobicContact CD2-CG2 4.14Å; Q86-T97 PolarHBondContact NE2-O 3.4Å
98L81.8Confident90Very high166 Ų16674.7 Ų74.787%0.86939%0.392SS*.  trans-104.454.1172.3-73.4162.4000108.8R100L98-R100 PolarHBondContact O-N 3.36Å
99M84.5Confident90.1Very high27 Ų2778.6 Ų78.613%0.13341%0.407CS..  trans-72.8128.3178.4-166.5-179.1-68.600109.8R17 L20 E103 M104 I107R17-M99 HydrophobicContact CB-SD 4.22Å; R17-M99 HydrophobicContact CG-CB 4.24Å; R17-M99 HydrophobicContact CG-SD 4.44Å; L20-M99 HydrophobicContact CB-CE 3.98Å; L20-M99 HydrophobicContact CD1-CE 3.67Å; L20-M99 HydrophobicContact CG-CE 4.13Å; M99-E103 HydrophobicContact CG-CB 3.67Å; M99-E103 HydrophobicContact SD-CB 4.46Å; M99-M104 HydrophobicContact CB-CG 4.11Å; M99-M104 HydrophobicContact CG-CG 3.62Å; M99-M104 HydrophobicContact SD-CB 4.03Å; M99-M104 HydrophobicContact SD-CG 3.3Å; M99-M104 WeakPolarHBondContact SD-CG 3.33Å; M99-I107 HydrophobicContact CE-CD1 3.52Å; M99-I107 HydrophobicContact SD-CD1 3.47Å; M99-I107 WeakPolarHBondContact SD-CD1 3.44Å
100R88.7Confident90.1Very high174 Ų17482.4 Ų82.466%0.65743%0.427SS*.  trans-75.3157.3176-61.8-180177.9178.61.2110.7L98 D102 E103 M104L98-R100 PolarHBondContact O-N 3.36Å; R100-D102 VanDerWaalsContact C-N 3.27Å; R100-D102 WeakPolarHBondContact CB-OD1 3.27Å; R100-D102 PolarHBondContact O-N 3.41Å; R100-E103 HydrophobicContact CB-CG 4.39Å; R100-E103 PolarHBondContact N-OE2 3.06Å; R100-E103 VanDerWaalsContact N-OE2 3.13Å; R100-E103 WeakPolarHBondContact O-CB 3.26Å; R100-E103 PolarHBondContact O-N 3.28Å; R100-M104 WeakPolarHBondContact O-CG 3.34Å; R100-M104 PolarHBondContact O-N 2.83Å
101T89Confident90.1Very high104 Ų10482.1 Ų82.164%0.63842%0.422SS*.Hα-helixtrans-59.1-37.4-178.3-530000112.6M104 L105T101-M104 PolarHBondContact O-N 3.34Å; T101-L105 HydrophobicContact CG2-CD1 4.23Å; T101-L105 VanDerWaalsContact O-CG 3.24Å; T101-L105 WeakPolarHBondContact O-CG 3.41Å; T101-L105 PolarHBondContact O-N 3.39Å
102D91.5Very high90.2Very high89 Ų8980.8 Ų80.848%0.47640%0.404SS..Hα-helixtrans-66.1-40.6176.958-45.4000112.5R100 L105 N106R100-D102 VanDerWaalsContact C-N 3.27Å; R100-D102 WeakPolarHBondContact CB-OD1 3.27Å; R100-D102 PolarHBondContact O-N 3.41Å; D102-L105 PolarHBondContact O-N 2.89Å; D102-N106 VanDerWaalsContact O-CG 3.31Å; D102-N106 PolarHBondContact O-N 3.06Å; D102-N106 PolarHBondContact O-ND2 2.94Å
103E90.5Very high90.4Very high87 Ų8778.3 Ų78.341%0.40740%0.396SS..Hα-helixtrans-63.1-46.9173.3-66.3172.2170.400111.2M99 R100 L105 N106 I107M99-E103 HydrophobicContact CG-CB 3.67Å; M99-E103 HydrophobicContact SD-CB 4.46Å; R100-E103 HydrophobicContact CB-CG 4.39Å; R100-E103 PolarHBondContact N-OE2 3.06Å; R100-E103 VanDerWaalsContact N-OE2 3.13Å; R100-E103 WeakPolarHBondContact O-CB 3.26Å; R100-E103 PolarHBondContact O-N 3.28Å; E103-L105 VanDerWaalsContact C-N 3.27Å; E103-L105 PolarHBondContact O-N 3.46Å; E103-N106 PolarHBondContact O-N 2.85Å; E103-N106 VanDerWaalsContact O-N 3.12Å; E103-I107 WeakPolarHBondContact O-CD1 3.36Å; E103-I107 WeakPolarHBondContact O-CG1 3.4Å; E103-I107 PolarHBondContact O-N 2.84Å
104M91.1Very high90.6Very high14 Ų1481.4 Ų81.47%0.06941%0.409CS..Hα-helixtrans-56-42.7176.2-68.517266.700111.5P13 F14 R17 M99 R100 T101 M108P13-M104 VanDerWaalsContact C-CE 3.44Å; P13-M104 HydrophobicContact CB-CB 4.18Å; P13-M104 HydrophobicContact CB-CE 3.77Å; P13-M104 WeakPolarHBondContact O-CE 3.31Å; F14-M104 HydrophobicContact CD1-CE 3.93Å; F14-M104 HydrophobicContact CE1-CE 4.36Å; R17-M104 HydrophobicContact CB-CE 3.99Å; R17-M104 HydrophobicContact CB-CG 4.24Å; R17-M104 HydrophobicContact CB-SD 4.4Å; M99-M104 HydrophobicContact CB-CG 4.11Å; M99-M104 HydrophobicContact CG-CG 3.62Å; M99-M104 HydrophobicContact SD-CB 4.03Å; M99-M104 HydrophobicContact SD-CG 3.3Å; M99-M104 WeakPolarHBondContact SD-CG 3.33Å; R100-M104 WeakPolarHBondContact O-CG 3.34Å; R100-M104 PolarHBondContact O-N 2.83Å; T101-M104 PolarHBondContact O-N 3.34Å; M104-M108 VanDerWaalsContact O-CB 3.26Å; M104-M108 WeakPolarHBondContact O-CB 3.24Å; M104-M108 PolarHBondContact O-N 2.87Å
105L93.3Very high90.8Very high69 Ų6979.1 Ų79.136%0.36138%0.38SS..Hα-helixtrans-70-32.6179.4-71.3172.5000112.8P13 T101 D102 E103 M108 K109P13-L105 HydrophobicContact CG-CD2 4.15Å; T101-L105 HydrophobicContact CG2-CD1 4.23Å; T101-L105 VanDerWaalsContact O-CG 3.24Å; T101-L105 WeakPolarHBondContact O-CG 3.41Å; T101-L105 PolarHBondContact O-N 3.39Å; D102-L105 PolarHBondContact O-N 2.89Å; E103-L105 VanDerWaalsContact C-N 3.27Å; E103-L105 PolarHBondContact O-N 3.46Å; L105-M108 HydrophobicContact CD2-CE 3.87Å; L105-M108 HydrophobicContact CD2-SD 4.32Å; L105-K109 WeakPolarHBondContact O-CG 3.41Å; L105-K109 PolarHBondContact O-N 3.35Å; L105-K109 VanDerWaalsContact O-N 3.15Å
106N93.5Very high91.1Very high84 Ų8479.7 Ų79.745%0.44938%0.384SS..Hα-helixtrans-70.6-46.1176-72.3-23.5000111.4D102 E103 M108 K109 D110D102-N106 VanDerWaalsContact O-CG 3.31Å; D102-N106 PolarHBondContact O-N 3.06Å; D102-N106 PolarHBondContact O-ND2 2.94Å; E103-N106 PolarHBondContact O-N 2.85Å; E103-N106 VanDerWaalsContact O-N 3.12Å; N106-M108 VanDerWaalsContact C-N 3.29Å; N106-M108 PolarHBondContact O-N 3.29Å; N106-K109 WeakPolarHBondContact O-CB 3.31Å; N106-K109 PolarHBondContact O-N 2.87Å; N106-K109 VanDerWaalsContact O-N 3.08Å; N106-D110 PolarHBondContact O-N 2.92Å; N106-D110 VanDerWaalsContact O-N 3.1Å
107I91.4Very high91.6Very high29 Ų2977.9 Ų77.915%0.14938%0.375CS..Hα-helixtrans-63.1-39.6176.2-61.1152.6000110.5A16 L20 M99 E103 K109 D110 N111A16-I107 HydrophobicContact CB-CB 4.04Å; A16-I107 HydrophobicContact CB-CG2 3.72Å; L20-I107 HydrophobicContact CD1-CD1 3.28Å; L20-I107 HydrophobicContact CD1-CG1 4.03Å; L20-I107 HydrophobicContact CG-CD1 4.1Å; L20-I107 HydrophobicContact CG-CG2 4.5Å; M99-I107 HydrophobicContact CE-CD1 3.52Å; M99-I107 HydrophobicContact SD-CD1 3.47Å; M99-I107 WeakPolarHBondContact SD-CD1 3.44Å; E103-I107 WeakPolarHBondContact O-CD1 3.36Å; E103-I107 WeakPolarHBondContact O-CG1 3.4Å; E103-I107 PolarHBondContact O-N 2.84Å; I107-K109 VanDerWaalsContact C-N 3.29Å; I107-K109 PolarHBondContact O-N 3.46Å; I107-D110 WeakPolarHBondContact O-CB 3.34Å; I107-D110 PolarHBondContact O-N 2.68Å; I107-D110 VanDerWaalsContact O-N 3.12Å; I107-N111 PolarHBondContact O-N 3.49Å
108M93.8Very high92.1Very high30 Ų3080.5 Ų80.515%0.14839%0.386CS..Hα-helixtrans-57.3-41.5173.5-178.4-165.875.400112.1N11 P13 A16 M104 L105 N106 D110 N111 I112N11-M108 VanDerWaalsContact C-SD 3.51Å; P13-M108 HydrophobicContact CG-SD 3.66Å; A16-M108 HydrophobicContact CB-CB 4.5Å; M104-M108 VanDerWaalsContact O-CB 3.26Å; M104-M108 WeakPolarHBondContact O-CB 3.24Å; M104-M108 PolarHBondContact O-N 2.87Å; L105-M108 HydrophobicContact CD2-CE 3.87Å; L105-M108 HydrophobicContact CD2-SD 4.32Å; N106-M108 VanDerWaalsContact C-N 3.29Å; N106-M108 PolarHBondContact O-N 3.29Å; M108-D110 VanDerWaalsContact C-N 3.33Å; M108-N111 PolarHBondContact O-N 2.91Å; M108-I112 HydrophobicContact CG-CD1 4.36Å; M108-I112 VanDerWaalsContact O-CG1 3.31Å; M108-I112 WeakPolarHBondContact O-CG1 3.33Å; M108-I112 PolarHBondContact O-N 3.29Å
109K94.9Very high92.6Very high125 Ų12574.7 Ų74.754%0.54336%0.355SS..Hα-helixtrans-63.4-40.9175.7-71167-173.8169.10111.5L105 N106 I107 I112 K113L105-K109 WeakPolarHBondContact O-CG 3.41Å; L105-K109 PolarHBondContact O-N 3.35Å; L105-K109 VanDerWaalsContact O-N 3.15Å; N106-K109 WeakPolarHBondContact O-CB 3.31Å; N106-K109 PolarHBondContact O-N 2.87Å; N106-K109 VanDerWaalsContact O-N 3.08Å; I107-K109 VanDerWaalsContact C-N 3.29Å; I107-K109 PolarHBondContact O-N 3.46Å; K109-I112 PolarHBondContact O-N 2.85Å; K109-K113 PolarHBondContact O-N 3.42Å; K109-K113 VanDerWaalsContact O-N 3.09Å
110D94.4Very high93Very high80 Ų8078.5 Ų78.543%0.42837%0.373SS..Hα-helixtrans-64.5-43.9176.3-70.3-21.4000111.1N106 I107 M108 I112 K113 Y114N106-D110 PolarHBondContact O-N 2.92Å; N106-D110 VanDerWaalsContact O-N 3.1Å; I107-D110 WeakPolarHBondContact O-CB 3.34Å; I107-D110 PolarHBondContact O-N 2.68Å; I107-D110 VanDerWaalsContact O-N 3.12Å; M108-D110 VanDerWaalsContact C-N 3.33Å; D110-I112 VanDerWaalsContact C-N 3.34Å; D110-I112 PolarHBondContact O-N 2.89Å; D110-K113 WeakPolarHBondContact O-CB 3.4Å; D110-K113 PolarHBondContact O-N 3.46Å; D110-K113 VanDerWaalsContact O-N 3.1Å; D110-Y114 HydrophobicContact CB-CD2 4.22Å; D110-Y114 HydrophobicContact CB-CE2 4.06Å; D110-Y114 WeakPolarHBondContact O-CD2 3.44Å; D110-Y114 PolarHBondContact O-N 3.1Å
111N93.9Very high93.1Very high19 Ų1974.4 Ų74.410%0.10236%0.361CS..Hα-helixtrans-59.4-42.2176.4-74.3-4.8000112.7E19 I107 M108 K115E19-N111 PolarHBondContact OE2-ND2 2.81Å; E19-N111 PolarHBondContact OE2-OD1 3.23Å; I107-N111 PolarHBondContact O-N 3.49Å; M108-N111 PolarHBondContact O-N 2.91Å; N111-K115 WeakPolarHBondContact O-CB 3.45Å; N111-K115 PolarHBondContact O-N 3.09Å
112I95.5Very high93Very high53 Ų5373.5 Ų73.527%0.27235%0.35SS..Hα-helixtrans-59.6-48.7173.7-67.1164.6000110C10 N11 M108 K109 D110 K115 I116C10-I112 HydrophobicContact CB-CG1 4.33Å; N11-I112 HydrophobicContact CB-CD1 3.83Å; N11-I112 HydrophobicContact CB-CG1 4.09Å; M108-I112 HydrophobicContact CG-CD1 4.36Å; M108-I112 VanDerWaalsContact O-CG1 3.31Å; M108-I112 WeakPolarHBondContact O-CG1 3.33Å; M108-I112 PolarHBondContact O-N 3.29Å; K109-I112 PolarHBondContact O-N 2.85Å; D110-I112 VanDerWaalsContact C-N 3.34Å; D110-I112 PolarHBondContact O-N 2.89Å; I112-K115 PolarHBondContact O-N 2.98Å; I112-I116 HydrophobicContact CG2-CD1 3.82Å; I112-I116 VanDerWaalsContact O-CG1 3.29Å; I112-I116 WeakPolarHBondContact O-CG1 3.15Å; I112-I116 PolarHBondContact O-N 3.29Å
113K96Very high92.7Very high134 Ų13474 Ų7458%0.58335%0.349SS*.Hα-helixtrans-61-49.8-179.1-177.7-173.1174.9-171.50111.9K109 D110 K115 I116 Q117K109-K113 PolarHBondContact O-N 3.42Å; K109-K113 VanDerWaalsContact O-N 3.09Å; D110-K113 WeakPolarHBondContact O-CB 3.4Å; D110-K113 PolarHBondContact O-N 3.46Å; D110-K113 VanDerWaalsContact O-N 3.1Å; K113-K115 VanDerWaalsContact C-N 3.33Å; K113-K115 PolarHBondContact O-N 3.38Å; K113-I116 PolarHBondContact O-N 3.4Å; K113-Q117 PolarHBondContact O-N 3.28Å; K113-Q117 VanDerWaalsContact O-N 3.12Å
114Y94.4Very high92.5Very high144 Ų14475.2 Ų75.257%0.56536%0.356SS*.Hα-helixtrans-64.6-38.4179.3-73.6-61.1000111.9D110 Q117 E118D110-Y114 HydrophobicContact CB-CD2 4.22Å; D110-Y114 HydrophobicContact CB-CE2 4.06Å; D110-Y114 WeakPolarHBondContact O-CD2 3.44Å; D110-Y114 PolarHBondContact O-N 3.1Å; Y114-Q117 PolarHBondContact O-N 2.9Å; Y114-E118 WeakPolarHBondContact O-CB 3.41Å; Y114-E118 PolarHBondContact O-N 2.86Å
115K95.2Very high92Very high19 Ų1981.2 Ų81.28%0.08338%0.382CS..Hα-helixtrans-65.5-42.8178.2-173.950.9178.3158.60112.1C10 V38 Q40 N111 I112 K113 Q117 E118 D119C10-K115 HydrophobicContact CB-CB 3.97Å; C10-K115 HydrophobicContact CB-CG 4.24Å; V38-K115 HydrophobicContact CB-CD 4.26Å; V38-K115 HydrophobicContact CG1-CB 4.15Å; V38-K115 HydrophobicContact CG1-CD 4.04Å; V38-K115 HydrophobicContact CG1-CG 4Å; V38-K115 VanDerWaalsContact O-CE 3.24Å; V38-K115 WeakPolarHBondContact O-CE 3.44Å; Q40-K115 HydrophobicContact CG-CG 4.34Å; N111-K115 WeakPolarHBondContact O-CB 3.45Å; N111-K115 PolarHBondContact O-N 3.09Å; I112-K115 PolarHBondContact O-N 2.98Å; K113-K115 VanDerWaalsContact C-N 3.33Å; K113-K115 PolarHBondContact O-N 3.38Å; K115-Q117 VanDerWaalsContact C-N 3.3Å; K115-Q117 PolarHBondContact O-N 3.42Å; K115-E118 WeakPolarHBondContact CD-OE2 3.27Å; K115-E118 IonicContact NZ-OE2 3.89Å; K115-E118 PolarHBondContact NZ-OE2 3.17Å; K115-E118 PolarHBondContact O-N 2.93Å; K115-D119 WeakPolarHBondContact CE-OD1 3.32Å; K115-D119 IonicContact NZ-OD1 2.66Å; K115-D119 PolarHBondContact NZ-OD1 2.87Å; K115-D119 WeakPolarHBondContact O-CB 3.23Å; K115-D119 PolarHBondContact O-N 3.25Å
116I94.1Very high91.2Very high72 Ų7283.2 Ų83.237%0.36939%0.392SS..Hα-helixtrans-58.4-43.8174.1-69.6166.6000110.9I112 K113 Q120I112-I116 HydrophobicContact CG2-CD1 3.82Å; I112-I116 VanDerWaalsContact O-CG1 3.29Å; I112-I116 WeakPolarHBondContact O-CG1 3.15Å; I112-I116 PolarHBondContact O-N 3.29Å; K113-I116 PolarHBondContact O-N 3.4Å; I116-Q120 WeakPolarHBondContact O-CB 3.44Å; I116-Q120 VanDerWaalsContact O-CG 3.24Å; I116-Q120 WeakPolarHBondContact O-CG 3.48Å; I116-Q120 PolarHBondContact O-N 2.86Å
117Q94.2Very high90.4Very high88 Ų8884.5 Ų84.541%0.41140%0.399SS..Hα-helixtrans-65.4-45.3177.9-176-179-1500112K113 Y114 K115 D119 Q120 E121K113-Q117 PolarHBondContact O-N 3.28Å; K113-Q117 VanDerWaalsContact O-N 3.12Å; Y114-Q117 PolarHBondContact O-N 2.9Å; K115-Q117 VanDerWaalsContact C-N 3.3Å; K115-Q117 PolarHBondContact O-N 3.42Å; Q117-D119 VanDerWaalsContact C-N 3.34Å; Q117-D119 PolarHBondContact O-N 2.89Å; Q117-Q120 WeakPolarHBondContact O-CB 3.32Å; Q117-Q120 PolarHBondContact O-N 3.24Å; Q117-E121 PolarHBondContact NE2-OE1 3.36Å; Q117-E121 WeakPolarHBondContact O-CG 3.26Å; Q117-E121 PolarHBondContact O-N 2.92Å
118E92.7Very high89.7Confident83 Ų8389.4 Ų89.439%0.38843%0.425SS..Hα-helixtrans-58.7-46.1177-173.6-165.8-165.800111.2Y114 K115 Q120 E121 Q122Y114-E118 WeakPolarHBondContact O-CB 3.41Å; Y114-E118 PolarHBondContact O-N 2.86Å; K115-E118 WeakPolarHBondContact CD-OE2 3.27Å; K115-E118 IonicContact NZ-OE2 3.89Å; K115-E118 PolarHBondContact NZ-OE2 3.17Å; K115-E118 PolarHBondContact O-N 2.93Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 2.85Å; E118-E121 PolarHBondContact O-N 3.35Å; E118-Q122 HydrophobicContact CG-CG 4.41Å; E118-Q122 WeakPolarHBondContact O-CB 3.33Å; E118-Q122 VanDerWaalsContact O-CG 3.31Å; E118-Q122 WeakPolarHBondContact O-CG 3.3Å; E118-Q122 PolarHBondContact O-N 2.81Å; E118-Q122 PolarHBondContact OE1-NE2 3.29Å; E118-Q122 VanDerWaalsContact OE1-NE2 3.09Å
119D91.7Very high88.6Confident44 Ų4492.6 Ų92.624%0.23545%0.447CS..Hα-helixtrans-63.5-39.5179-66.1-22.8000111.1Q40 K115 Q117 Q122 Q123Q40-D119 WeakPolarHBondContact CG-OD2 3.2Å; Q40-D119 PolarHBondContact NE2-OD2 2.85Å; K115-D119 WeakPolarHBondContact CE-OD1 3.32Å; K115-D119 IonicContact NZ-OD1 2.66Å; K115-D119 PolarHBondContact NZ-OD1 2.87Å; K115-D119 WeakPolarHBondContact O-CB 3.23Å; K115-D119 PolarHBondContact O-N 3.25Å; Q117-D119 VanDerWaalsContact C-N 3.34Å; Q117-D119 PolarHBondContact O-N 2.89Å; D119-Q122 PolarHBondContact O-N 2.85Å; D119-Q123 VanDerWaalsContact O-CB 3.24Å; D119-Q123 WeakPolarHBondContact O-CB 3.33Å; D119-Q123 PolarHBondContact O-N 3.24Å
120Q92.5Very high87.5Confident108 Ų10891.9 Ų91.951%0.50546%0.455SS..Hα-helixtrans-63.1-44.8173.7-74.6172.91.200111.8I116 Q117 E118 Q123 M124I116-Q120 WeakPolarHBondContact O-CB 3.44Å; I116-Q120 VanDerWaalsContact O-CG 3.24Å; I116-Q120 WeakPolarHBondContact O-CG 3.48Å; I116-Q120 PolarHBondContact O-N 2.86Å; Q117-Q120 WeakPolarHBondContact O-CB 3.32Å; Q117-Q120 PolarHBondContact O-N 3.24Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 2.85Å; Q120-Q123 PolarHBondContact O-N 3.37Å; Q120-M124 WeakPolarHBondContact O-CB 3.22Å; Q120-M124 VanDerWaalsContact O-CG 3.27Å; Q120-M124 WeakPolarHBondContact O-CG 3.49Å; Q120-M124 PolarHBondContact O-N 3.22Å
121E90.7Very high86.7Confident87 Ų8792.8 Ų92.841%0.40747%0.467SS..Hα-helixtrans-66-41177.5-72.9176.7-164.100112.1Q117 E118 M124 K125Q117-E121 PolarHBondContact NE2-OE1 3.36Å; Q117-E121 WeakPolarHBondContact O-CG 3.26Å; Q117-E121 PolarHBondContact O-N 2.92Å; E118-E121 PolarHBondContact O-N 3.35Å; E121-M124 PolarHBondContact O-N 3.48Å; E121-K125 VanDerWaalsContact O-CG 3.32Å; E121-K125 WeakPolarHBondContact O-CG 3.46Å; E121-K125 PolarHBondContact O-N 2.88Å
122Q87.5Confident86.3Confident85 Ų8593.9 Ų93.940%0.39748%0.476SS..Hα-helixtrans-63.8-44.5174.5-73.9-1795.600111E118 D119 M124 K125 I126E118-Q122 HydrophobicContact CG-CG 4.41Å; E118-Q122 WeakPolarHBondContact O-CB 3.33Å; E118-Q122 VanDerWaalsContact O-CG 3.31Å; E118-Q122 WeakPolarHBondContact O-CG 3.3Å; E118-Q122 PolarHBondContact O-N 2.81Å; E118-Q122 PolarHBondContact OE1-NE2 3.29Å; E118-Q122 VanDerWaalsContact OE1-NE2 3.09Å; D119-Q122 PolarHBondContact O-N 2.85Å; Q122-M124 VanDerWaalsContact C-N 3.35Å; Q122-M124 PolarHBondContact O-N 3.43Å; Q122-K125 WeakPolarHBondContact O-CB 3.44Å; Q122-K125 PolarHBondContact O-N 2.91Å; Q122-I126 WeakPolarHBondContact O-CG1 3.32Å; Q122-I126 PolarHBondContact O-N 2.93Å
123Q86.2Confident86.1Confident100 Ų10092 Ų9247%0.46747%0.467SS..Hα-helixtrans-63.5-40.9176.1-170.863.355.500111.5D119 Q120 I126 N127D119-Q123 VanDerWaalsContact O-CB 3.24Å; D119-Q123 WeakPolarHBondContact O-CB 3.33Å; D119-Q123 PolarHBondContact O-N 3.24Å; Q120-Q123 PolarHBondContact O-N 3.37Å; Q123-I126 PolarHBondContact O-N 3.28Å; Q123-N127 PolarHBondContact NE2-OD1 2.84Å; Q123-N127 WeakPolarHBondContact O-CB 3.48Å; Q123-N127 PolarHBondContact O-N 3.35Å; Q123-N127 PolarHBondContact O-ND2 2.91Å; Q123-N127 PolarHBondContact O-OD1 3.31Å
124M84.7Confident86Confident113 Ų11386.3 Ų86.356%0.55744%0.443SS*.Hα-helixtrans-62.5-41.5173.8-75.1-176.6-159.600111.8Q120 E121 Q122 N127 N128Q120-M124 WeakPolarHBondContact O-CB 3.22Å; Q120-M124 VanDerWaalsContact O-CG 3.27Å; Q120-M124 WeakPolarHBondContact O-CG 3.49Å; Q120-M124 PolarHBondContact O-N 3.22Å; E121-M124 PolarHBondContact O-N 3.48Å; Q122-M124 VanDerWaalsContact C-N 3.35Å; Q122-M124 PolarHBondContact O-N 3.43Å; M124-N127 PolarHBondContact O-N 3.02Å; M124-N128 VanDerWaalsContact O-CB 3.22Å; M124-N128 WeakPolarHBondContact O-CB 3.46Å; M124-N128 PolarHBondContact O-N 2.8Å; M124-N128 PolarHBondContact O-ND2 3.33Å
125K80.7Confident86.1Confident140 Ų14079.6 Ų79.661%0.60942%0.417SS*.Hα-helixtrans-61.7-44.4174.9-75.7171.5-177172.50111.9E121 Q122 N128 T129E121-K125 VanDerWaalsContact O-CG 3.32Å; E121-K125 WeakPolarHBondContact O-CG 3.46Å; E121-K125 PolarHBondContact O-N 2.88Å; Q122-K125 WeakPolarHBondContact O-CB 3.44Å; Q122-K125 PolarHBondContact O-N 2.91Å; K125-N128 PolarHBondContact O-N 3.23Å; K125-T129 WeakPolarHBondContact O-CB 3.19Å; K125-T129 PolarHBondContact O-N 2.86Å; K125-T129 PolarHBondContact O-OG1 2.71Å
126I77.4Confident86.2Confident111 Ų11178.7 Ų78.757%0.56941%0.413SS*.Hα-helixtrans-61.7-47.5176.1-68.3166000110.1Q122 Q123 N128 T129Q122-I126 WeakPolarHBondContact O-CG1 3.32Å; Q122-I126 PolarHBondContact O-N 2.93Å; Q123-I126 PolarHBondContact O-N 3.28Å; I126-N128 VanDerWaalsContact C-N 3.27Å; I126-N128 PolarHBondContact O-N 3.31Å; I126-T129 PolarHBondContact O-N 3.17Å
127N76.1Confident86.3Confident110 Ų11075.2 Ų75.259%0.58840%0.395SS*.Hα-helixtrans-64.3-31.7179.3-68.1-5.8000112.8Q123 M124Q123-N127 PolarHBondContact NE2-OD1 2.84Å; Q123-N127 WeakPolarHBondContact O-CB 3.48Å; Q123-N127 PolarHBondContact O-N 3.35Å; Q123-N127 PolarHBondContact O-ND2 2.91Å; Q123-N127 PolarHBondContact O-OD1 3.31Å; M124-N127 PolarHBondContact O-N 3.02Å
128N77.4Confident86.4Confident132 Ų13271 Ų7171%0.70638%0.376SS*.Hα-helixtrans-88.1-14.1179.9-70.4-16.6000113.5M124 K125 I126 P130M124-N128 VanDerWaalsContact O-CB 3.22Å; M124-N128 WeakPolarHBondContact O-CB 3.46Å; M124-N128 PolarHBondContact O-N 2.8Å; M124-N128 PolarHBondContact O-ND2 3.33Å; K125-N128 PolarHBondContact O-N 3.23Å; I126-N128 VanDerWaalsContact C-N 3.27Å; I126-N128 PolarHBondContact O-N 3.31Å; N128-P130 VanDerWaalsContact O-CD 3.27Å; N128-P130 WeakPolarHBondContact O-CD 2.82Å
129T70.1Confident86.3Confident98 Ų9867.3 Ų67.360%0.60136%0.359SS*.SBendtrans-77.5113.7175.1-57.20000107.7K125 I126 S131K125-T129 WeakPolarHBondContact O-CB 3.19Å; K125-T129 PolarHBondContact O-N 2.86Å; K125-T129 PolarHBondContact O-OG1 2.71Å; I126-T129 PolarHBondContact O-N 3.17Å; T129-S131 PolarHBondContact O-N 2.93Å
130P71.6Confident86.4Confident110 Ų11065.2 Ų65.271%0.71435%0.348SS*.PPolyproline II helixtrans-61.7131.1178.724.8-32.3000109.8N128N128-P130 VanDerWaalsContact O-CD 3.27Å; N128-P130 WeakPolarHBondContact O-CD 2.82Å
131S77.7Confident86.3Confident98 Ų9860.6 Ų60.669%0.68533%0.329SS*.PPolyproline II helixtrans-60.1144.5172.2560000110.1T129T129-S131 PolarHBondContact O-N 2.93Å
132P86Confident85.7Confident43 Ų4358.9 Ų58.928%0.27933%0.334SS..PPolyproline II helixtrans-62.2146.9-178.424.8-33.4000113N134 M162 E164P132-N134 PolarHBondContact O-N 3.32Å; P132-N134 PolarHBondContact O-OD1 3.1Å; P132-M162 CarbonylContact C-O 3.6Å; P132-M162 VanDerWaalsContact CA-O 3.32Å; P132-M162 WeakPolarHBondContact CA-O 3.46Å; P132-M162 HydrophobicContact CB-CB 4.14Å; P132-E164 HydrophobicContact CB-CB 4.24Å; P132-E164 HydrophobicContact CG-CB 4.32Å
133S91.2Very high85.2Confident12 Ų1257.1 Ų57.18%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-42.592.1156.6-12.10000117.5V135 E161 M162 I163 E164 K209S133-V135 PolarHBondContact O-N 3.37Å; S133-E161 VanDerWaalsContact CB-CD 3.48Å; S133-E161 WeakPolarHBondContact CB-OE1 3.27Å; S133-E161 VanDerWaalsContact OG-CD 3.3Å; S133-E161 PolarHBondContact OG-OE1 2.64Å; S133-M162 WeakPolarHBondContact CA-O 3.21Å; S133-M162 PolarHBondContact N-O 3.26Å; S133-I163 CarbonylContact O-C 3.59Å; S133-I163 WeakPolarHBondContact O-CA 3.34Å; S133-E164 PolarHBondContact O-N 3.5Å; S133-K209 WeakPolarHBondContact OG-CD 3.13Å; S133-K209 PolarHBondContact OG-NZ 3.14Å
134N94.7Very high85Confident16 Ų1657 Ų579%0.08633%0.328CS..EExtended strand (participates in β ladder)trans-73.3104.2169.4-69.427.9000110.6P132 E164 Y166 H207 K209 Q210P132-N134 PolarHBondContact O-N 3.32Å; P132-N134 PolarHBondContact O-OD1 3.1Å; N134-E164 WeakPolarHBondContact CA-O 2.93Å; N134-E164 PolarHBondContact ND2-OE2 3.37Å; N134-E164 PolarHBondContact OD1-OE2 3.02Å; N134-Y166 HydrophobicContact CB-CE2 4.1Å; N134-Y166 PolarHBondContact ND2-OH 3.25Å; N134-H207 VanDerWaalsContact CB-O 3.26Å; N134-H207 WeakPolarHBondContact CB-O 3.36Å; N134-H207 WeakPolarHBondContact ND2-CB 3.2Å; N134-K209 PolarHBondContact O-N 2.8Å; N134-Q210 PolarHBondContact O-N 3.24Å; N134-Q210 VanDerWaalsContact O-N 3.16Å
135V96.5Very high85.2Confident2 Ų251.7 Ų51.71%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-108.9121.2177.7179.40000108.4S133 F158 I163 E164 L165 Y166 Q210 I212S133-V135 PolarHBondContact O-N 3.37Å; V135-F158 HydrophobicContact CG2-CD2 4.49Å; V135-F158 HydrophobicContact CG2-CE2 4.02Å; V135-I163 HydrophobicContact CB-CG2 3.97Å; V135-I163 HydrophobicContact CG2-CG2 3.73Å; V135-E164 PolarHBondContact N-O 2.96Å; V135-L165 HydrophobicContact CB-CD1 4.39Å; V135-L165 HydrophobicContact CG1-CD1 4.27Å; V135-L165 WeakPolarHBondContact O-CA 3.18Å; V135-Y166 PolarHBondContact O-N 3.38Å; V135-Q210 HydrophobicContact CB-CB 4.5Å; V135-Q210 HydrophobicContact CG1-CB 4.29Å; V135-Q210 HydrophobicContact CG2-CB 4.19Å; V135-Q210 HydrophobicContact CG2-CG 4.14Å; V135-I212 HydrophobicContact CG1-CD1 3.86Å
136I96.9Very high85.7Confident0 Ų047.3 Ų47.30%029%0.289CS..EExtended strand (participates in β ladder)trans-108.9127.5-178.9-50.5177.7000108.8I138 Y166 C204 L205 A208 Q210 V211 I212I136-I138 HydrophobicContact CG2-CG1 4.03Å; I136-Y166 WeakPolarHBondContact CA-O 3.25Å; I136-Y166 HydrophobicContact CG1-CD2 4.47Å; I136-Y166 HydrophobicContact CG1-CG 4.45Å; I136-C204 HydrophobicContact CD1-CB 3.97Å; I136-C204 WeakPolarHBondContact CD1-O 3.28Å; I136-C204 HydrophobicContact CG1-CB 4.41Å; I136-L205 HydrophobicContact CD1-CD2 4.27Å; I136-A208 HydrophobicContact CD1-CB 3.41Å; I136-A208 VanDerWaalsContact CD1-CB 3.41Å; I136-A208 HydrophobicContact CG1-CB 4.32Å; I136-Q210 PolarHBondContact N-O 2.89Å; I136-V211 HydrophobicContact CB-CG2 4.33Å; I136-V211 HydrophobicContact CD1-CG2 4.23Å; I136-V211 CarbonylContact O-C 3.59Å; I136-V211 WeakPolarHBondContact O-CA 3.41Å; I136-I212 PolarHBondContact O-N 3.27Å
137V96Very high86.3Confident0 Ų045.8 Ų45.80%028%0.281CS..EExtended strand (participates in β ladder)trans-113.2114.7172.9-173.50000108.7A140 I145 L149 L165 Y166 L167 N168 I212 L214V137-A140 HydrophobicContact CB-CB 4.18Å; V137-A140 HydrophobicContact CG1-CB 3.9Å; V137-I145 HydrophobicContact CG1-CD1 3.8Å; V137-L149 HydrophobicContact CG2-CD2 4.18Å; V137-L165 HydrophobicContact CG2-CD1 4.03Å; V137-Y166 PolarHBondContact N-O 3.17Å; V137-L167 HydrophobicContact CB-CD2 4.27Å; V137-N168 PolarHBondContact O-N 2.63Å; V137-I212 WeakPolarHBondContact CA-O 3.37Å; V137-I212 HydrophobicContact CG2-CD1 4.32Å; V137-L214 HydrophobicContact CG1-CD1 3.76Å; V137-L214 HydrophobicContact CG1-CG 4.14Å
138I95.1Very high87.2Confident0 Ų040.5 Ų40.50%025%0.253CS..EExtended strand (participates in β ladder)trans-100.1128.2179.7-54.9-179.5000108.7I136 N168 V201 V211 I212 I213 L214 V216 Y246 L250I136-I138 HydrophobicContact CG2-CG1 4.03Å; I138-N168 CarbonylContact C-O 3.5Å; I138-V201 HydrophobicContact CD1-CG2 3.55Å; I138-V201 HydrophobicContact CG1-CG2 4.17Å; I138-V211 HydrophobicContact CD1-CG1 3.76Å; I138-V211 HydrophobicContact CG1-CG1 4.24Å; I138-I212 PolarHBondContact N-O 3.37Å; I138-I213 HydrophobicContact CB-CG2 4.45Å; I138-I213 HydrophobicContact CD1-CG1 4.22Å; I138-L214 WeakPolarHBondContact O-CB 3.41Å; I138-L214 PolarHBondContact O-N 2.93Å; I138-V216 HydrophobicContact CB-CG1 4.44Å; I138-V216 HydrophobicContact CG2-CG1 3.6Å; I138-Y246 VanDerWaalsContact CG2-OH 3.32Å; I138-Y246 WeakPolarHBondContact CG2-OH 3.42Å; I138-L250 HydrophobicContact CD1-CD1 4.23Å; I138-L250 HydrophobicContact CD1-CD2 4.28Å
139G92.4Very high88.1Confident4 Ų434.3 Ų34.34%0.04122%0.22CC..THydrogen-bonded Turntrans83.126.7-170.400000112.8A141 G142 N168 D169 L214G139-A141 PolarHBondContact O-N 3.27Å; G139-G142 PolarHBondContact O-N 3.34Å; G139-G142 VanDerWaalsContact O-N 3.1Å; G139-N168 PolarHBondContact N-O 3.14Å; G139-D169 VanDerWaalsContact CA-OD2 3.29Å; G139-D169 WeakPolarHBondContact CA-OD2 3.18Å; G139-L214 WeakPolarHBondContact O-CD1 3.31Å
140A93.2Very high89.3Confident1 Ų131 Ų311%0.00820%0.202CC..THydrogen-bonded Turntrans-64.7-18.6-17000000115.3V137 I145 L167 N168 D169 L177V137-A140 HydrophobicContact CB-CB 4.18Å; V137-A140 HydrophobicContact CG1-CB 3.9Å; A140-I145 HydrophobicContact CB-CD1 4.14Å; A140-L167 HydrophobicContact CB-CB 4.07Å; A140-L167 HydrophobicContact CB-CD2 3.91Å; A140-N168 PolarHBondContact N-O 3.32Å; A140-N168 VanDerWaalsContact N-O 3.08Å; A140-D169 PolarHBondContact N-OD2 2.85Å; A140-L177 HydrophobicContact CB-CD2 3.9Å
141A89.9Confident90.4Very high11 Ų1127.4 Ų27.49%0.09118%0.178CC..THydrogen-bonded Turntrans-108.43.2177.400000113G139 F143 D169 N173 K176 L177G139-A141 PolarHBondContact O-N 3.27Å; A141-F143 VanDerWaalsContact C-N 3.32Å; A141-D169 WeakPolarHBondContact CA-OD2 3.5Å; A141-D169 HydrophobicContact CB-CB 4.15Å; A141-D169 WeakPolarHBondContact CB-OD2 3.38Å; A141-D169 PolarHBondContact N-OD2 2.85Å; A141-N173 HydrophobicContact CB-CB 3.79Å; A141-K176 HydrophobicContact CB-CB 3.76Å; A141-K176 HydrophobicContact CB-CD 4.21Å; A141-L177 HydrophobicContact CB-CD2 3.59Å; A141-L177 HydrophobicContact CB-CG 3.95Å
142G78.4Confident91.2Very high50 Ų5022.8 Ų22.852%0.51515%0.145SC..SBendtrans-70.1-26.917600000113.4G139 D169G139-G142 PolarHBondContact O-N 3.34Å; G139-G142 VanDerWaalsContact O-N 3.1Å; G142-D169 PolarHBondContact N-OD2 3.17Å; G142-D169 VanDerWaalsContact N-OD2 3.09Å
143F77.2Confident91.8Very high49 Ų4920.8 Ų20.822%0.21513%0.132CC..SBendtrans-155.3164180-168.7-94.8000110.8A141 I145 I270 P398A141-F143 VanDerWaalsContact C-N 3.32Å; F143-I145 PolarHBondContact O-N 3.36Å; F143-I270 HydrophobicContact CB-CD1 4.33Å; F143-I270 HydrophobicContact CD1-CB 4.01Å; F143-I270 HydrophobicContact CD1-CD1 3.53Å; F143-I270 HydrophobicContact CD1-CG1 4.34Å; F143-I270 HydrophobicContact CD1-CG2 3.68Å; F143-I270 HydrophobicContact CD2-CB 4.44Å; F143-I270 HydrophobicContact CD2-CG2 4.32Å; F143-I270 HydrophobicContact CE1-CB 4.29Å; F143-I270 HydrophobicContact CE1-CD1 4.23Å; F143-I270 HydrophobicContact CE1-CG2 3.45Å; F143-I270 VanDerWaalsContact CE1-CG2 3.45Å; F143-I270 HydrophobicContact CE2-CG2 4.06Å; F143-I270 HydrophobicContact CG-CB 4.14Å; F143-I270 HydrophobicContact CG-CD1 4.12Å; F143-I270 HydrophobicContact CG-CG2 4.16Å; F143-I270 HydrophobicContact CZ-CG2 3.65Å; F143-P398 HydrophobicContact CE2-CB 4.37Å
144D81.9Confident92Very high97 Ų9723.9 Ų23.952%0.51915%0.148SC..  trans-70.6116.3174.4-166.3-11000110.7S146D144-S146 WeakPolarHBondContact OD1-CB 3.33Å; D144-S146 PolarHBondContact OD1-N 2.71Å; D144-S146 PolarHBondContact OD1-OG 2.96Å
145I89.5Confident91.9Very high2 Ų223.8 Ų23.81%0.0115%0.15CC..  trans-12220179.357.5167.5000111.3V137 A140 F143 D147 F148 L149 L214 I270 E406V137-I145 HydrophobicContact CG1-CD1 3.8Å; A140-I145 HydrophobicContact CB-CD1 4.14Å; F143-I145 PolarHBondContact O-N 3.36Å; I145-D147 PolarHBondContact O-N 3.13Å; I145-F148 HydrophobicContact CB-CB 4.46Å; I145-F148 HydrophobicContact CB-CD1 4.5Å; I145-F148 PolarHBondContact O-N 2.7Å; I145-L149 HydrophobicContact CD1-CD1 3.79Å; I145-L149 HydrophobicContact CD1-CD2 4.26Å; I145-L149 HydrophobicContact CD1-CG 3.96Å; I145-L149 HydrophobicContact CG1-CD1 3.9Å; I145-L149 HydrophobicContact CG1-CG 4.09Å; I145-L149 WeakPolarHBondContact O-CB 3.25Å; I145-L149 VanDerWaalsContact O-CG 3.32Å; I145-L149 WeakPolarHBondContact O-CG 3.45Å; I145-L149 PolarHBondContact O-N 3.46Å; I145-L214 HydrophobicContact CD1-CD1 4.01Å; I145-L214 HydrophobicContact CG2-CD1 3.69Å; I145-I270 HydrophobicContact CG2-CD1 4.45Å; I145-E406 WeakPolarHBondContact CA-OE2 3.39Å
146S90.1Very high91.6Very high48 Ų4828 Ų2834%0.33617%0.17SC..Hα-helixtrans-61.2-44-173.653.50000112.3D144 L149 A150 E406D144-S146 WeakPolarHBondContact OD1-CB 3.33Å; D144-S146 PolarHBondContact OD1-N 2.71Å; D144-S146 PolarHBondContact OD1-OG 2.96Å; S146-L149 PolarHBondContact O-N 3.43Å; S146-A150 VanDerWaalsContact O-CB 3.31Å; S146-A150 WeakPolarHBondContact O-CB 3.37Å; S146-A150 PolarHBondContact O-N 2.9Å; S146-E406 PolarHBondContact N-OE2 2.94Å
147D91Very high91.4Very high78 Ų7828 Ų2842%0.41717%0.17SC..Hα-helixtrans-65.2-42.1177.3-71.7-28000110.5I145 A150 N151 E406I145-D147 PolarHBondContact O-N 3.13Å; D147-A150 PolarHBondContact O-N 2.97Å; D147-N151 WeakPolarHBondContact O-CB 3.45Å; D147-N151 PolarHBondContact O-N 2.73Å; D147-N151 PolarHBondContact O-ND2 3.17Å; D147-E406 WeakPolarHBondContact CA-OE2 3.48Å; D147-E406 WeakPolarHBondContact CB-OE2 3.36Å; D147-E406 PolarHBondContact N-OE2 3.38Å
148F94.4Very high91.1Very high0 Ų029.1 Ų29.10%018%0.175CC..Hα-helixtrans-61-47.4176172.3-112.4000112.5I145 N151 I152 I212 E406 M409 L413I145-F148 HydrophobicContact CB-CB 4.46Å; I145-F148 HydrophobicContact CB-CD1 4.5Å; I145-F148 PolarHBondContact O-N 2.7Å; F148-N151 PolarHBondContact O-N 3.48Å; F148-I152 HydrophobicContact CD1-CD1 4.3Å; F148-I152 HydrophobicContact CD2-CD1 4.17Å; F148-I152 HydrophobicContact CE1-CD1 3.63Å; F148-I152 HydrophobicContact CE2-CD1 3.46Å; F148-I152 VanDerWaalsContact CE2-CD1 3.46Å; F148-I152 HydrophobicContact CE2-CG1 4.17Å; F148-I152 HydrophobicContact CZ-CD1 3.17Å; F148-I152 HydrophobicContact CZ-CG1 4.32Å; F148-I152 PolarHBondContact O-N 3.14Å; F148-I152 VanDerWaalsContact O-N 3.11Å; F148-I212 HydrophobicContact CE1-CD1 4.01Å; F148-I212 HydrophobicContact CE1-CG2 4.26Å; F148-I212 HydrophobicContact CZ-CD1 3.77Å; F148-I212 HydrophobicContact CZ-CG1 4.39Å; F148-I212 HydrophobicContact CZ-CG2 4.29Å; F148-E406 HydrophobicContact CB-CB 3.94Å; F148-E406 HydrophobicContact CB-CG 3.92Å; F148-E406 PolarHBondContact N-OE2 3.36Å; F148-M409 HydrophobicContact CB-CE 4.15Å; F148-M409 HydrophobicContact CD1-CE 4.23Å; F148-M409 HydrophobicContact CD2-CB 3.69Å; F148-M409 HydrophobicContact CD2-CE 4.21Å; F148-M409 HydrophobicContact CE2-CB 3.51Å; F148-M409 HydrophobicContact CG-CE 3.94Å; F148-M409 HydrophobicContact CZ-CB 4.24Å; F148-M409 HydrophobicContact CZ-SD 4.47Å; F148-L413 HydrophobicContact CE2-CD1 3.87Å; F148-L413 HydrophobicContact CZ-CD1 3.91Å
149L95.9Very high90.7Very high1 Ų130.5 Ų30.51%0.00519%0.189CC..Hα-helixtrans-64.9-42178.3-69.4-179.6000111.3V137 I145 S146 N151 I152 L153 L165 L167 L180 L184V137-L149 HydrophobicContact CG2-CD2 4.18Å; I145-L149 HydrophobicContact CD1-CD1 3.79Å; I145-L149 HydrophobicContact CD1-CD2 4.26Å; I145-L149 HydrophobicContact CD1-CG 3.96Å; I145-L149 HydrophobicContact CG1-CD1 3.9Å; I145-L149 HydrophobicContact CG1-CG 4.09Å; I145-L149 WeakPolarHBondContact O-CB 3.25Å; I145-L149 VanDerWaalsContact O-CG 3.32Å; I145-L149 WeakPolarHBondContact O-CG 3.45Å; I145-L149 PolarHBondContact O-N 3.46Å; S146-L149 PolarHBondContact O-N 3.43Å; L149-N151 VanDerWaalsContact C-N 3.34Å; L149-N151 PolarHBondContact O-N 3.37Å; L149-I152 PolarHBondContact O-N 3.26Å; L149-L153 HydrophobicContact CB-CD1 4.47Å; L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.4Å; L149-L153 WeakPolarHBondContact O-CG 3.01Å; L149-L153 PolarHBondContact O-N 3.22Å; L149-L165 HydrophobicContact CD1-CD2 4.46Å; L149-L165 HydrophobicContact CD2-CD1 4.17Å; L149-L165 HydrophobicContact CD2-CD2 4.11Å; L149-L167 HydrophobicContact CD1-CD2 4.4Å; L149-L180 HydrophobicContact CD1-CD1 4.26Å; L149-L180 HydrophobicContact CD1-CD2 4.11Å; L149-L184 HydrophobicContact CB-CD2 4.24Å; L149-L184 HydrophobicContact CD1-CD1 3.97Å; L149-L184 HydrophobicContact CD1-CD2 4.33Å
150A95.6Very high90.5Very high28 Ų2836.6 Ų36.623%0.23122%0.22CC..Hα-helixtrans-59.6-43.4175.200000111.7S146 D147 I152 L153 N154S146-A150 VanDerWaalsContact O-CB 3.31Å; S146-A150 WeakPolarHBondContact O-CB 3.37Å; S146-A150 PolarHBondContact O-N 2.9Å; D147-A150 PolarHBondContact O-N 2.97Å; A150-I152 PolarHBondContact O-N 3.22Å; A150-L153 PolarHBondContact O-N 3.35Å; A150-N154 VanDerWaalsContact O-CB 3.28Å; A150-N154 WeakPolarHBondContact O-CB 3.26Å; A150-N154 PolarHBondContact O-N 2.95Å; A150-N154 PolarHBondContact O-ND2 2.69Å
151N95Very high90.4Very high36 Ų3638.9 Ų38.919%0.19323%0.231CC..Hα-helixtrans-62.3-42.6178-70.3-35000112.3D147 F148 L149 E156 T410D147-N151 WeakPolarHBondContact O-CB 3.45Å; D147-N151 PolarHBondContact O-N 2.73Å; D147-N151 PolarHBondContact O-ND2 3.17Å; F148-N151 PolarHBondContact O-N 3.48Å; L149-N151 VanDerWaalsContact C-N 3.34Å; L149-N151 PolarHBondContact O-N 3.37Å; N151-E156 VanDerWaalsContact O-CB 3.26Å; N151-E156 WeakPolarHBondContact O-CB 3.33Å; N151-E156 WeakPolarHBondContact O-CG 3.37Å; N151-E156 PolarHBondContact O-N 2.68Å; N151-E156 PolarHBondContact OD1-OE2 2.85Å; N151-T410 HydrophobicContact CB-CG2 3.94Å; N151-T410 PolarHBondContact ND2-OG1 2.66Å
152I95.4Very high90.6Very high1 Ų142 Ų421%0.00525%0.245CC..Hα-helixtrans-65.7-47.2176.3-75.3177.2000111F148 L149 A150 N154 G155 V157 F158 I163 I212 L413F148-I152 HydrophobicContact CD1-CD1 4.3Å; F148-I152 HydrophobicContact CD2-CD1 4.17Å; F148-I152 HydrophobicContact CE1-CD1 3.63Å; F148-I152 HydrophobicContact CE2-CD1 3.46Å; F148-I152 VanDerWaalsContact CE2-CD1 3.46Å; F148-I152 HydrophobicContact CE2-CG1 4.17Å; F148-I152 HydrophobicContact CZ-CD1 3.17Å; F148-I152 HydrophobicContact CZ-CG1 4.32Å; F148-I152 PolarHBondContact O-N 3.14Å; F148-I152 VanDerWaalsContact O-N 3.11Å; L149-I152 PolarHBondContact O-N 3.26Å; A150-I152 PolarHBondContact O-N 3.22Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 3.42Å; I152-G155 PolarHBondContact O-N 2.49Å; I152-V157 HydrophobicContact CG1-CB 4.07Å; I152-V157 HydrophobicContact CG1-CG2 3.77Å; I152-F158 HydrophobicContact CD1-CE2 4.22Å; I152-F158 HydrophobicContact CG1-CE2 4.28Å; I152-F158 HydrophobicContact CG2-CD2 3.78Å; I152-F158 HydrophobicContact CG2-CE2 3.71Å; I152-I163 HydrophobicContact CG2-CD1 3.45Å; I152-I163 VanDerWaalsContact CG2-CD1 3.45Å; I152-I212 HydrophobicContact CD1-CD1 4.23Å; I152-L413 HydrophobicContact CD1-CD1 4.08Å
153L97.1Very high91.4Very high0 Ų039.7 Ų39.70%022%0.221CC..Hα-helixtrans-80.9-11.3-172.7-62.7170.6000113.8L149 A150 G155 I163 L165 L184 L189 K191 L192L149-L153 HydrophobicContact CB-CD1 4.47Å; L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.4Å; L149-L153 WeakPolarHBondContact O-CG 3.01Å; L149-L153 PolarHBondContact O-N 3.22Å; A150-L153 PolarHBondContact O-N 3.35Å; L153-G155 VanDerWaalsContact C-N 3.29Å; L153-I163 HydrophobicContact CD2-CB 3.92Å; L153-I163 HydrophobicContact CD2-CD1 4.14Å; L153-I163 HydrophobicContact CD2-CG2 3.8Å; L153-L165 HydrophobicContact CD1-CD2 4.19Å; L153-L184 HydrophobicContact CD1-CD2 3.87Å; L153-L189 HydrophobicContact CB-CB 3.81Å; L153-L189 HydrophobicContact CB-CD1 3.88Å; L153-L189 HydrophobicContact CB-CD2 4.41Å; L153-L189 HydrophobicContact CB-CG 4.25Å; L153-L189 HydrophobicContact CD1-CD1 3.53Å; L153-L189 HydrophobicContact CG-CD1 4.37Å; L153-K191 WeakPolarHBondContact O-CA 3.34Å; L153-K191 WeakPolarHBondContact O-CB 3.32Å; L153-K191 WeakPolarHBondContact O-CG 3.3Å; L153-K191 PolarHBondContact O-N 3.22Å; L153-L192 HydrophobicContact CD1-CB 4.44Å; L153-L192 HydrophobicContact CD1-CD1 4.16Å; L153-L192 HydrophobicContact CD1-CD2 4.41Å; L153-L192 HydrophobicContact CD2-CB 4.02Å; L153-L192 HydrophobicContact CD2-CD1 3.76Å; L153-L192 HydrophobicContact CD2-CG 4.46Å
154N95.6Very high92.3Very high78 Ų7839.1 Ų39.142%0.41722%0.218SC..THydrogen-bonded Turntrans-83.4-4.9163.9-79.4-51.3000113A150 I152 E156 P190A150-N154 VanDerWaalsContact O-CB 3.28Å; A150-N154 WeakPolarHBondContact O-CB 3.26Å; A150-N154 PolarHBondContact O-N 2.95Å; A150-N154 PolarHBondContact O-ND2 2.69Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 3.42Å; N154-E156 HydrophobicContact CB-CG 4.47Å; N154-P190 VanDerWaalsContact OD1-CD 3.26Å; N154-P190 WeakPolarHBondContact OD1-CD 3.46Å
155G92.9Very high93Very high14 Ų1434.5 Ų34.514%0.14419%0.194CC..THydrogen-bonded Turntrans8512.6179.200000114.3I152 L153 V157 G159I152-G155 PolarHBondContact O-N 2.49Å; L153-G155 VanDerWaalsContact C-N 3.29Å; G155-V157 PolarHBondContact O-N 2.92Å; G155-G159 WeakPolarHBondContact CA-O 3.32Å; G155-G159 WeakPolarHBondContact O-CA 3.06Å; G155-G159 PolarHBondContact O-N 2.84Å
156E91.2Very high93.3Very high89 Ų8936.1 Ų36.142%0.41620%0.2SC..THydrogen-bonded Turntrans-66.7-29.9179.6-55.4-163.3162.200112.6N151 N154 K414N151-E156 VanDerWaalsContact O-CB 3.26Å; N151-E156 WeakPolarHBondContact O-CB 3.33Å; N151-E156 WeakPolarHBondContact O-CG 3.37Å; N151-E156 PolarHBondContact O-N 2.68Å; N151-E156 PolarHBondContact OD1-OE2 2.85Å; N154-E156 HydrophobicContact CB-CG 4.47Å; E156-K414 VanDerWaalsContact CB-CE 3.46Å; E156-K414 WeakPolarHBondContact O-CE 3.25Å; E156-K414 IonicContact OE2-NZ 3.67Å; E156-K414 PolarHBondContact OE2-NZ 2.71Å
157V90.9Very high93.6Very high0 Ų033.9 Ų33.90%018%0.184CC..THydrogen-bonded Turntrans-95.5-55.9-177.3-179.40000111.2I152 G155 T410 L413 K414 N418I152-V157 HydrophobicContact CG1-CB 4.07Å; I152-V157 HydrophobicContact CG1-CG2 3.77Å; G155-V157 PolarHBondContact O-N 2.92Å; V157-T410 HydrophobicContact CG2-CG2 3.9Å; V157-L413 HydrophobicContact CG1-CB 3.38Å; V157-L413 HydrophobicContact CG1-CD1 4.13Å; V157-L413 HydrophobicContact CG1-CG 4.39Å; V157-K414 HydrophobicContact CG2-CG 4.23Å; V157-N418 WeakPolarHBondContact O-CB 3.22Å; V157-N418 PolarHBondContact O-ND2 3.34Å
158F89.7Confident93.8Very high25 Ų2530.6 Ų30.611%0.1117%0.167CC..THydrogen-bonded Turntrans-98.88.9-173.7-54.8-55.8000114V135 I152 E161 I163 Q210 L413 W417V135-F158 HydrophobicContact CG2-CD2 4.49Å; V135-F158 HydrophobicContact CG2-CE2 4.02Å; I152-F158 HydrophobicContact CD1-CE2 4.22Å; I152-F158 HydrophobicContact CG1-CE2 4.28Å; I152-F158 HydrophobicContact CG2-CD2 3.78Å; I152-F158 HydrophobicContact CG2-CE2 3.71Å; F158-E161 HydrophobicContact CB-CB 4.25Å; F158-E161 WeakPolarHBondContact O-CB 3.37Å; F158-I163 HydrophobicContact CD2-CD1 3.81Å; F158-Q210 HydrophobicContact CE1-CG 4.26Å; F158-Q210 HydrophobicContact CZ-CG 3.95Å; F158-L413 HydrophobicContact CZ-CD1 4.33Å; F158-W417 HydrophobicContact CE1-CB 4.33Å; F158-W417 AromaticContact CE1-CD1 3.83Å; F158-W417 HydrophobicContact CE1-CG 4.3Å
159G88.2Confident93.7Very high28 Ų2831.4 Ų31.429%0.28917%0.171SC..THydrogen-bonded Turntrans69.4-131.6177.600000112.6G155 E161G155-G159 WeakPolarHBondContact CA-O 3.32Å; G155-G159 WeakPolarHBondContact O-CA 3.06Å; G155-G159 PolarHBondContact O-N 2.84Å; G159-E161 VanDerWaalsContact C-N 3.26Å; G159-E161 PolarHBondContact O-N 3.09Å
160D88.6Confident93.5Very high132 Ų13235.3 Ų35.371%0.70619%0.189SC*.THydrogen-bonded Turntrans-84.63.2-176-158.143.3000114M162 K191D160-M162 PolarHBondContact O-N 3.13Å; D160-K191 IonicContact OD1-NZ 3.27Å; D160-K191 PolarHBondContact OD1-NZ 3.31Å
161E89.6Confident93.2Very high49 Ų4938.9 Ų38.923%0.22921%0.208CC..  trans-64.2124.6179.8173.2154.6-124.500112S133 F158 G159 K209S133-E161 VanDerWaalsContact CB-CD 3.48Å; S133-E161 WeakPolarHBondContact CB-OE1 3.27Å; S133-E161 VanDerWaalsContact OG-CD 3.3Å; S133-E161 PolarHBondContact OG-OE1 2.64Å; F158-E161 HydrophobicContact CB-CB 4.25Å; F158-E161 WeakPolarHBondContact O-CB 3.37Å; G159-E161 VanDerWaalsContact C-N 3.26Å; G159-E161 PolarHBondContact O-N 3.09Å; E161-K209 IonicContact OE1-NZ 3.14Å; E161-K209 PolarHBondContact OE1-NZ 2.9Å; E161-K209 IonicContact OE2-NZ 2.64Å; E161-K209 PolarHBondContact OE2-NZ 3.49Å
162M94.5Very high93.1Very high78 Ų7844.9 Ų44.938%0.38423%0.232SC..  trans-67.3143.7168-66.6-57.2-63.300110.1P132 S133 D160 K191P132-M162 CarbonylContact C-O 3.6Å; P132-M162 VanDerWaalsContact CA-O 3.32Å; P132-M162 WeakPolarHBondContact CA-O 3.46Å; P132-M162 HydrophobicContact CB-CB 4.14Å; S133-M162 WeakPolarHBondContact CA-O 3.21Å; S133-M162 PolarHBondContact N-O 3.26Å; D160-M162 PolarHBondContact O-N 3.13Å; M162-K191 CarbonylContact C-O 3.45Å
163I95.8Very high92.9Very high1 Ų146 Ų461%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-124.9126.5-171-64.5170.7000110S133 V135 I152 L153 F158 L165 K191 S193S133-I163 CarbonylContact O-C 3.59Å; S133-I163 WeakPolarHBondContact O-CA 3.34Å; V135-I163 HydrophobicContact CB-CG2 3.97Å; V135-I163 HydrophobicContact CG2-CG2 3.73Å; I152-I163 HydrophobicContact CG2-CD1 3.45Å; I152-I163 VanDerWaalsContact CG2-CD1 3.45Å; L153-I163 HydrophobicContact CD2-CB 3.92Å; L153-I163 HydrophobicContact CD2-CD1 4.14Å; L153-I163 HydrophobicContact CD2-CG2 3.8Å; F158-I163 HydrophobicContact CD2-CD1 3.81Å; I163-L165 HydrophobicContact CG2-CB 4.46Å; I163-K191 HydrophobicContact CD1-CB 4.41Å; I163-K191 PolarHBondContact N-O 2.91Å; I163-S193 WeakPolarHBondContact O-CB 3.49Å; I163-S193 PolarHBondContact O-N 3.27Å
164E95.4Very high92.6Very high36 Ų3649.4 Ų49.417%0.16825%0.253CS..EExtended strand (participates in β ladder)trans-98111.4163.7-168.9171.4-132.700108.1P132 S133 N134 V135 Y166 R194 H196P132-E164 HydrophobicContact CB-CB 4.24Å; P132-E164 HydrophobicContact CG-CB 4.32Å; S133-E164 PolarHBondContact O-N 3.5Å; N134-E164 WeakPolarHBondContact CA-O 2.93Å; N134-E164 PolarHBondContact ND2-OE2 3.37Å; N134-E164 PolarHBondContact OD1-OE2 3.02Å; V135-E164 PolarHBondContact N-O 2.96Å; E164-Y166 HydrophobicContact CB-CE2 4.17Å; E164-Y166 VanDerWaalsContact CD-OH 3.28Å; E164-Y166 HydrophobicContact CG-CD2 4.48Å; E164-Y166 HydrophobicContact CG-CE2 3.64Å; E164-Y166 PolarHBondContact OE2-OH 3.41Å; E164-R194 HydrophobicContact CG-CB 4.27Å; E164-H196 WeakPolarHBondContact CG-NE2 3.42Å; E164-H196 IonicContact OE1-CD2 2.62Å; E164-H196 IonicContact OE1-CE1 3.46Å; E164-H196 IonicContact OE1-NE2 2.84Å; E164-H196 PolarHBondContact OE1-NE2 3.2Å
165L96.9Very high92.6Very high1 Ų151.3 Ų51.31%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-94.9127.8-171.9-176.765.1000110.4V135 V137 L149 L153 I163 L167 L184 L192 R194 V195 H196V135-L165 HydrophobicContact CB-CD1 4.39Å; V135-L165 HydrophobicContact CG1-CD1 4.27Å; V135-L165 WeakPolarHBondContact O-CA 3.18Å; V137-L165 HydrophobicContact CG2-CD1 4.03Å; L149-L165 HydrophobicContact CD1-CD2 4.46Å; L149-L165 HydrophobicContact CD2-CD1 4.17Å; L149-L165 HydrophobicContact CD2-CD2 4.11Å; L153-L165 HydrophobicContact CD1-CD2 4.19Å; I163-L165 HydrophobicContact CG2-CB 4.46Å; L165-L167 HydrophobicContact CD1-CD2 4.15Å; L165-L167 HydrophobicContact CD2-CD2 3.82Å; L165-L167 HydrophobicContact CD2-CG 4.28Å; L165-L167 HydrophobicContact CG-CD2 3.81Å; L165-L167 HydrophobicContact CG-CG 4.2Å; L165-L184 HydrophobicContact CD2-CD1 3.87Å; L165-L192 HydrophobicContact CB-CD1 4.12Å; L165-R194 PolarHBondContact N-O 2.88Å; L165-V195 CarbonylContact O-C 3.58Å; L165-V195 WeakPolarHBondContact O-CA 3.46Å; L165-H196 PolarHBondContact O-N 3.33Å
166Y96.4Very high92.6Very high36 Ų3656 Ų5614%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-113.6116174.6-65.8-102.5000109N134 V135 I136 V137 E164 H196 C204N134-Y166 HydrophobicContact CB-CE2 4.1Å; N134-Y166 PolarHBondContact ND2-OH 3.25Å; V135-Y166 PolarHBondContact O-N 3.38Å; I136-Y166 WeakPolarHBondContact CA-O 3.25Å; I136-Y166 HydrophobicContact CG1-CD2 4.47Å; I136-Y166 HydrophobicContact CG1-CG 4.45Å; V137-Y166 PolarHBondContact N-O 3.17Å; E164-Y166 HydrophobicContact CB-CE2 4.17Å; E164-Y166 VanDerWaalsContact CD-OH 3.28Å; E164-Y166 HydrophobicContact CG-CD2 4.48Å; E164-Y166 HydrophobicContact CG-CE2 3.64Å; E164-Y166 PolarHBondContact OE2-OH 3.41Å; Y166-H196 HydrophobicContact CD1-CB 3.58Å; Y166-H196 AromaticContact CD1-CG 4Å; Y166-H196 HydrophobicContact CE1-CB 3.84Å; Y166-H196 AromaticContact CE1-CD2 3.59Å; Y166-H196 AromaticContact CE1-CG 3.74Å; Y166-H196 AromaticContact CE2-CD2 3.96Å; Y166-H196 HydrophobicContact CG-CB 4.18Å; Y166-H196 AromaticContact CZ-CD2 3.53Å; Y166-C204 HydrophobicContact CD1-CB 3.4Å; Y166-C204 HydrophobicContact CE1-CB 4.08Å; Y166-C204 HydrophobicContact CG-CB 3.81Å
167L95.9Very high92.7Very high0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-100.4118.7178.2-56.1178.1000109.1V137 A140 L149 L165 L177 L180 L184 V195 H196 I197 S198V137-L167 HydrophobicContact CB-CD2 4.27Å; A140-L167 HydrophobicContact CB-CB 4.07Å; A140-L167 HydrophobicContact CB-CD2 3.91Å; L149-L167 HydrophobicContact CD1-CD2 4.4Å; L165-L167 HydrophobicContact CD1-CD2 4.15Å; L165-L167 HydrophobicContact CD2-CD2 3.82Å; L165-L167 HydrophobicContact CD2-CG 4.28Å; L165-L167 HydrophobicContact CG-CD2 3.81Å; L165-L167 HydrophobicContact CG-CG 4.2Å; L167-L177 HydrophobicContact CB-CD2 4.05Å; L167-L180 HydrophobicContact CD1-CD2 3.88Å; L167-L180 HydrophobicContact CD1-CG 4.03Å; L167-L184 HydrophobicContact CD1-CD1 4.03Å; L167-V195 HydrophobicContact CD1-CG1 3.77Å; L167-V195 HydrophobicContact CG-CG1 4.14Å; L167-H196 PolarHBondContact N-O 2.85Å; L167-I197 WeakPolarHBondContact O-CA 3.31Å; L167-S198 PolarHBondContact O-N 2.81Å
168N94.8Very high93Very high10 Ų1056.1 Ų56.15%0.05328%0.279CS..EExtended strand (participates in β ladder)trans-120.6138178175.4-106.3000111.4V137 I138 G139 A140 S198 V201V137-N168 PolarHBondContact O-N 2.63Å; I138-N168 CarbonylContact C-O 3.5Å; G139-N168 PolarHBondContact N-O 3.14Å; A140-N168 PolarHBondContact N-O 3.32Å; A140-N168 VanDerWaalsContact N-O 3.08Å; N168-S198 VanDerWaalsContact CA-O 3.31Å; N168-S198 WeakPolarHBondContact CA-O 3.31Å; N168-S198 PolarHBondContact ND2-O 3.06Å; N168-V201 PolarHBondContact ND2-N 3.36Å
169D93.1Very high93.2Very high16 Ų1660.8 Ų60.89%0.08630%0.301CS..  trans-157.3179.7171.3-146.7-62.6000109.9G139 A140 A141 G142 N173 L177G139-D169 VanDerWaalsContact CA-OD2 3.29Å; G139-D169 WeakPolarHBondContact CA-OD2 3.18Å; A140-D169 PolarHBondContact N-OD2 2.85Å; A141-D169 WeakPolarHBondContact CA-OD2 3.5Å; A141-D169 HydrophobicContact CB-CB 4.15Å; A141-D169 WeakPolarHBondContact CB-OD2 3.38Å; A141-D169 PolarHBondContact N-OD2 2.85Å; G142-D169 PolarHBondContact N-OD2 3.17Å; G142-D169 VanDerWaalsContact N-OD2 3.09Å; D169-N173 HydrophobicContact CB-CB 4.09Å; D169-N173 PolarHBondContact OD1-ND2 3.38Å; D169-L177 HydrophobicContact CB-CD1 3.77Å; D169-L177 HydrophobicContact CB-CD2 4.16Å; D169-L177 HydrophobicContact CB-CG 4.22Å
170E90.6Very high93.5Very high83 Ų8361 Ų6139%0.38830%0.295SS..  trans-63.9151.7173.7-63.3-172.9168.700112.1K172 N173E170-K172 HydrophobicContact CB-CG 4.19Å; E170-K172 PolarHBondContact O-N 3.25Å; E170-K172 WeakPolarHBondContact OE2-CD 3.49Å; E170-K172 WeakPolarHBondContact OE2-CE 3.22Å; E170-K172 IonicContact OE2-NZ 2.63Å; E170-K172 PolarHBondContact OE2-NZ 3.36Å; E170-N173 PolarHBondContact O-N 2.97Å
171V90Very high93.9Very high103 Ų10358.3 Ų58.362%0.62428%0.276SS*.G310 helixtrans-51.1-36.2179.5179.70000112.6N173 K174 D199V171-N173 PolarHBondContact O-N 3.24Å; V171-K174 VanDerWaalsContact O-CB 3.24Å; V171-K174 WeakPolarHBondContact O-CB 3.45Å; V171-K174 PolarHBondContact O-N 3.33Å; V171-D199 HydrophobicContact CG2-CB 4.03Å
172K92Very high94.2Very high163 Ų16361.5 Ų61.571%0.70929%0.29SS*.G310 helixtrans-64.8-23.7179.175.4-169.7-170.9-151.80113.6E170E170-K172 HydrophobicContact CB-CG 4.19Å; E170-K172 PolarHBondContact O-N 3.25Å; E170-K172 WeakPolarHBondContact OE2-CD 3.49Å; E170-K172 WeakPolarHBondContact OE2-CE 3.22Å; E170-K172 IonicContact OE2-NZ 2.63Å; E170-K172 PolarHBondContact OE2-NZ 3.36Å
173N91.3Very high94.3Very high23 Ų2362.1 Ų62.112%0.12330%0.298CS..G310 helixtrans-975.1-178.9-71.9-32.9000112.8A141 D169 E170 V171 N175 K176 L177A141-N173 HydrophobicContact CB-CB 3.79Å; D169-N173 HydrophobicContact CB-CB 4.09Å; D169-N173 PolarHBondContact OD1-ND2 3.38Å; E170-N173 PolarHBondContact O-N 2.97Å; V171-N173 PolarHBondContact O-N 3.24Å; N173-N175 VanDerWaalsContact C-N 3.3Å; N173-N175 PolarHBondContact O-N 3.16Å; N173-K176 WeakPolarHBondContact O-CB 3.3Å; N173-K176 PolarHBondContact O-N 3.38Å; N173-L177 PolarHBondContact O-N 3Å
174K91.8Very high94.3Very high73 Ų7362.6 Ų62.632%0.31730%0.301SS..Hα-helixtrans-56.2-38.5-175.1-169172.4-169.7153.20114V171 K176 L177 F178 D199V171-K174 VanDerWaalsContact O-CB 3.24Å; V171-K174 WeakPolarHBondContact O-CB 3.45Å; V171-K174 PolarHBondContact O-N 3.33Å; K174-K176 PolarHBondContact O-N 2.82Å; K174-L177 WeakPolarHBondContact O-CB 3.4Å; K174-L177 PolarHBondContact O-N 2.86Å; K174-F178 HydrophobicContact CD-CE2 4.14Å; K174-F178 HydrophobicContact CG-CD2 4.16Å; K174-F178 HydrophobicContact CG-CE2 3.62Å; K174-F178 HydrophobicContact CG-CZ 4.27Å; K174-F178 VanDerWaalsContact O-CD2 3.24Å; K174-F178 WeakPolarHBondContact O-CD2 3.4Å; K174-F178 PolarHBondContact O-N 3.06Å; K174-F178 VanDerWaalsContact O-N 3.1Å; K174-D199 IonicContact NZ-OD2 2.71Å; K174-D199 PolarHBondContact NZ-OD2 2.98Å
175N94.3Very high94.3Very high118 Ų11865.4 Ų65.463%0.63131%0.314SS*.Hα-helixtrans-63.7-40.9177.3-69.1-6000112.3N173 L177 F178 E179N173-N175 VanDerWaalsContact C-N 3.3Å; N173-N175 PolarHBondContact O-N 3.16Å; N175-L177 VanDerWaalsContact C-N 3.27Å; N175-L177 PolarHBondContact O-N 3.01Å; N175-F178 WeakPolarHBondContact O-CB 3.39Å; N175-F178 PolarHBondContact O-N 2.88Å; N175-F178 VanDerWaalsContact O-N 3.13Å; N175-E179 PolarHBondContact O-N 2.83Å
176K93.4Very high94.3Very high113 Ų11372.8 Ų72.849%0.49135%0.348SS..Hα-helixtrans-63-36.1176-62.7177.9176177.30111.8A141 N173 K174 L180A141-K176 HydrophobicContact CB-CB 3.76Å; A141-K176 HydrophobicContact CB-CD 4.21Å; N173-K176 WeakPolarHBondContact O-CB 3.3Å; N173-K176 PolarHBondContact O-N 3.38Å; K174-K176 PolarHBondContact O-N 2.82Å; K176-L180 VanDerWaalsContact O-CB 3.32Å; K176-L180 WeakPolarHBondContact O-CB 3.39Å; K176-L180 PolarHBondContact O-N 2.8Å
177L94.2Very high94.3Very high2 Ų273.7 Ų73.71%0.0136%0.363CS..Hα-helixtrans-66.1-37.9174.9-63177.8000111.9A140 A141 L167 D169 N173 K174 N175 R181 I197A140-L177 HydrophobicContact CB-CD2 3.9Å; A141-L177 HydrophobicContact CB-CD2 3.59Å; A141-L177 HydrophobicContact CB-CG 3.95Å; L167-L177 HydrophobicContact CB-CD2 4.05Å; D169-L177 HydrophobicContact CB-CD1 3.77Å; D169-L177 HydrophobicContact CB-CD2 4.16Å; D169-L177 HydrophobicContact CB-CG 4.22Å; N173-L177 PolarHBondContact O-N 3Å; K174-L177 WeakPolarHBondContact O-CB 3.4Å; K174-L177 PolarHBondContact O-N 2.86Å; N175-L177 VanDerWaalsContact C-N 3.27Å; N175-L177 PolarHBondContact O-N 3.01Å; L177-R181 WeakPolarHBondContact O-CB 3.48Å; L177-R181 PolarHBondContact O-N 3.35Å; L177-I197 HydrophobicContact CB-CD1 4.09Å; L177-I197 HydrophobicContact CB-CG1 4.13Å; L177-I197 HydrophobicContact CB-CG2 3.84Å; L177-I197 HydrophobicContact CD1-CG2 3.8Å; L177-I197 HydrophobicContact CG-CG2 4.49Å; L177-I197 VanDerWaalsContact O-CD1 3.3Å; L177-I197 WeakPolarHBondContact O-CD1 3.43Å
178F95.6Very high94.3Very high88 Ų8877.9 Ų77.939%0.38640%0.398SS..Hα-helixtrans-63.6-48.3174.7-73.7-57.6000111.6K174 N175 L180 R181 E182 I197K174-F178 HydrophobicContact CD-CE2 4.14Å; K174-F178 HydrophobicContact CG-CD2 4.16Å; K174-F178 HydrophobicContact CG-CE2 3.62Å; K174-F178 HydrophobicContact CG-CZ 4.27Å; K174-F178 VanDerWaalsContact O-CD2 3.24Å; K174-F178 WeakPolarHBondContact O-CD2 3.4Å; K174-F178 PolarHBondContact O-N 3.06Å; K174-F178 VanDerWaalsContact O-N 3.1Å; N175-F178 WeakPolarHBondContact O-CB 3.39Å; N175-F178 PolarHBondContact O-N 2.88Å; N175-F178 VanDerWaalsContact O-N 3.13Å; F178-L180 PolarHBondContact O-N 3.01Å; F178-R181 WeakPolarHBondContact O-CB 3.49Å; F178-R181 PolarHBondContact O-N 2.95Å; F178-E182 WeakPolarHBondContact O-CG 3.46Å; F178-E182 PolarHBondContact O-N 3.36Å; F178-I197 HydrophobicContact CB-CD1 4.4Å; F178-I197 HydrophobicContact CD1-CD1 3.33Å; F178-I197 HydrophobicContact CE1-CD1 3.77Å; F178-I197 HydrophobicContact CG-CD1 4Å
179E95Very high94.4Very high124 Ų12478.5 Ų78.558%0.57940%0.401SS*.Hα-helixtrans-59.4-46.3176.3-69172.1-167.900111.6N175 R181 E182 V183N175-E179 PolarHBondContact O-N 2.83Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 2.69Å; E179-E182 PolarHBondContact O-N 3.41Å; E179-V183 WeakPolarHBondContact O-CG2 3.42Å; E179-V183 PolarHBondContact O-N 3.15Å; E179-V183 VanDerWaalsContact O-N 3.1Å
180L94.7Very high94.5Very high32 Ų3281.2 Ų81.217%0.16842%0.42CS..Hα-helixtrans-60.4-41.4176.7177.957.6000111.8L149 L167 K176 F178 L184L149-L180 HydrophobicContact CD1-CD1 4.26Å; L149-L180 HydrophobicContact CD1-CD2 4.11Å; L167-L180 HydrophobicContact CD1-CD2 3.88Å; L167-L180 HydrophobicContact CD1-CG 4.03Å; K176-L180 VanDerWaalsContact O-CB 3.32Å; K176-L180 WeakPolarHBondContact O-CB 3.39Å; K176-L180 PolarHBondContact O-N 2.8Å; F178-L180 PolarHBondContact O-N 3.01Å; L180-L184 HydrophobicContact CD1-CD1 4.04Å; L180-L184 HydrophobicContact CD1-CG 4.17Å; L180-L184 HydrophobicContact CG-CD1 3.92Å; L180-L184 HydrophobicContact CG-CG 4.5Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 WeakPolarHBondContact O-CD1 3.45Å; L180-L184 WeakPolarHBondContact O-CG 3.14Å; L180-L184 PolarHBondContact O-N 3.38Å
181R96Very high94.8Very high76 Ų7678.9 Ų78.929%0.28741%0.408SS..Hα-helixtrans-63.1-46.5176.7168.8171.9178.7-143.1-13112.1L177 F178 E179 V183 L184 E185 V195 I197L177-R181 WeakPolarHBondContact O-CB 3.48Å; L177-R181 PolarHBondContact O-N 3.35Å; F178-R181 WeakPolarHBondContact O-CB 3.49Å; F178-R181 PolarHBondContact O-N 2.95Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 2.69Å; R181-V183 VanDerWaalsContact C-N 3.32Å; R181-V183 PolarHBondContact O-N 2.73Å; R181-L184 PolarHBondContact O-N 2.81Å; R181-E185 HydrophobicContact CG-CG 4.31Å; R181-E185 IonicContact CZ-OE1 3.68Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 2.75Å; R181-E185 IonicContact NE-OE2 2.92Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 2.61Å; R181-E185 IonicContact NH2-OE2 2.69Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 WeakPolarHBondContact O-CG 3.16Å; R181-E185 PolarHBondContact O-N 3.18Å; R181-V195 HydrophobicContact CB-CG1 3.92Å; R181-V195 HydrophobicContact CG-CB 3.91Å; R181-V195 HydrophobicContact CG-CG1 3.77Å; R181-V195 PolarHBondContact NE-O 2.76Å; R181-I197 HydrophobicContact CB-CD1 3.78Å; R181-I197 HydrophobicContact CB-CG1 4.28Å; R181-I197 HydrophobicContact CG-CD1 4.35Å
182E96.5Very high95.1Very high116 Ų11675.4 Ų75.454%0.54239%0.386SS..Hα-helixtrans-57.6-47.6179-73.1177.5175.200110.4F178 E179 L184 E185 E186F178-E182 WeakPolarHBondContact O-CG 3.46Å; F178-E182 PolarHBondContact O-N 3.36Å; E179-E182 PolarHBondContact O-N 3.41Å; E182-L184 PolarHBondContact O-N 3.24Å; E182-E185 PolarHBondContact O-N 3.02Å; E182-E186 WeakPolarHBondContact O-CG 3.46Å; E182-E186 PolarHBondContact O-N 3.04Å
183V96Very high95.3Very high90 Ų9070.9 Ų70.955%0.54538%0.375SS..Hα-helixtrans-61.6-42177.1174.80000112.1E179 R181 E186 A187E179-V183 WeakPolarHBondContact O-CG2 3.42Å; E179-V183 PolarHBondContact O-N 3.15Å; E179-V183 VanDerWaalsContact O-N 3.1Å; R181-V183 VanDerWaalsContact C-N 3.32Å; R181-V183 PolarHBondContact O-N 2.73Å; V183-E186 PolarHBondContact O-N 3.26Å; V183-A187 VanDerWaalsContact O-CB 3.27Å; V183-A187 WeakPolarHBondContact O-CB 3.36Å; V183-A187 PolarHBondContact O-N 3.45Å
184L96.8Very high95.4Very high11 Ų1176.7 Ų76.76%0.05840%0.395CS..Hα-helixtrans-65.7-38.2178-72.4167.1000112.6L149 L153 L165 L167 L180 R181 E182 E186 L189 L192 V195L149-L184 HydrophobicContact CB-CD2 4.24Å; L149-L184 HydrophobicContact CD1-CD1 3.97Å; L149-L184 HydrophobicContact CD1-CD2 4.33Å; L153-L184 HydrophobicContact CD1-CD2 3.87Å; L165-L184 HydrophobicContact CD2-CD1 3.87Å; L167-L184 HydrophobicContact CD1-CD1 4.03Å; L180-L184 HydrophobicContact CD1-CD1 4.04Å; L180-L184 HydrophobicContact CD1-CG 4.17Å; L180-L184 HydrophobicContact CG-CD1 3.92Å; L180-L184 HydrophobicContact CG-CG 4.5Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 WeakPolarHBondContact O-CD1 3.45Å; L180-L184 WeakPolarHBondContact O-CG 3.14Å; L180-L184 PolarHBondContact O-N 3.38Å; R181-L184 PolarHBondContact O-N 2.81Å; E182-L184 PolarHBondContact O-N 3.24Å; L184-E186 VanDerWaalsContact C-N 3.32Å; L184-L189 HydrophobicContact CD2-CD1 3.77Å; L184-L192 HydrophobicContact CB-CD2 4.21Å; L184-L192 WeakPolarHBondContact O-CD2 2.98Å; L184-V195 HydrophobicContact CB-CG2 4.11Å; L184-V195 HydrophobicContact CD1-CG2 4.42Å
185E95.6Very high95.7Very high96 Ų9673.3 Ų73.345%0.44938%0.38SS..Hα-helixtrans-69.4-31176.5-72.3178.4167.600111.5R181 E182 V195R181-E185 HydrophobicContact CG-CG 4.31Å; R181-E185 IonicContact CZ-OE1 3.68Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 2.75Å; R181-E185 IonicContact NE-OE2 2.92Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 2.61Å; R181-E185 IonicContact NH2-OE2 2.69Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 WeakPolarHBondContact O-CG 3.16Å; R181-E185 PolarHBondContact O-N 3.18Å; E182-E185 PolarHBondContact O-N 3.02Å; E185-V195 HydrophobicContact CG-CG2 4.31Å
186E97.1Very high95.7Very high156 Ų15669.8 Ų69.873%0.72936%0.36SS*.Hα-helixtrans-79.1-30.9175-72178.9-176.700113.9E182 V183 L184 A188E182-E186 WeakPolarHBondContact O-CG 3.46Å; E182-E186 PolarHBondContact O-N 3.04Å; V183-E186 PolarHBondContact O-N 3.26Å; L184-E186 VanDerWaalsContact C-N 3.32Å; E186-A188 PolarHBondContact O-N 3.48Å
187A96.4Very high95.8Very high54 Ų5466.1 Ų66.145%0.44635%0.345SS..THydrogen-bonded Turntrans-66.9-3.2-172.100000115.1V183 L189V183-A187 VanDerWaalsContact O-CB 3.27Å; V183-A187 WeakPolarHBondContact O-CB 3.36Å; V183-A187 PolarHBondContact O-N 3.45Å; A187-L189 VanDerWaalsContact C-N 3.25Å; A187-L189 HydrophobicContact CB-CD1 3.99Å; A187-L189 HydrophobicContact CB-CG 3.87Å; A187-L189 PolarHBondContact O-N 3.31Å
188A95.2Very high95.5Very high89 Ų8966.4 Ų66.474%0.73635%0.348SS*.THydrogen-bonded Turntrans52.440.1177.500000113.7E186E186-A188 PolarHBondContact O-N 3.48Å
189L97.1Very high95.1Very high23 Ų2365.4 Ų65.412%0.1235%0.346CS..  trans-72.1123.5-176.1-64.7162.4000110.8L153 L184 A187 K191 L192L153-L189 HydrophobicContact CB-CB 3.81Å; L153-L189 HydrophobicContact CB-CD1 3.88Å; L153-L189 HydrophobicContact CB-CD2 4.41Å; L153-L189 HydrophobicContact CB-CG 4.25Å; L153-L189 HydrophobicContact CD1-CD1 3.53Å; L153-L189 HydrophobicContact CG-CD1 4.37Å; L184-L189 HydrophobicContact CD2-CD1 3.77Å; A187-L189 VanDerWaalsContact C-N 3.25Å; A187-L189 HydrophobicContact CB-CD1 3.99Å; A187-L189 HydrophobicContact CB-CG 3.87Å; A187-L189 PolarHBondContact O-N 3.31Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 2.81Å; L189-L192 HydrophobicContact CB-CB 4.05Å; L189-L192 WeakPolarHBondContact O-CB 3.47Å; L189-L192 PolarHBondContact O-N 3.14Å; L189-L192 VanDerWaalsContact O-N 3.08Å
190P95.9Very high94.7Very high73 Ų7362.1 Ų62.147%0.47433%0.333SS..THydrogen-bonded Turntrans-69.5-22.6-162.726.8-36.4000114.6N154N154-P190 VanDerWaalsContact OD1-CD 3.26Å; N154-P190 WeakPolarHBondContact OD1-CD 3.46Å
191K95.9Very high94.4Very high34 Ų3461.2 Ų61.215%0.14833%0.328CS..THydrogen-bonded Turntrans-98.7-4.3177.4-49.8-54.9168.6-164.40112.8L153 D160 M162 I163 L189 S193L153-K191 WeakPolarHBondContact O-CA 3.34Å; L153-K191 WeakPolarHBondContact O-CB 3.32Å; L153-K191 WeakPolarHBondContact O-CG 3.3Å; L153-K191 PolarHBondContact O-N 3.22Å; D160-K191 IonicContact OD1-NZ 3.27Å; D160-K191 PolarHBondContact OD1-NZ 3.31Å; M162-K191 CarbonylContact C-O 3.45Å; I163-K191 HydrophobicContact CD1-CB 4.41Å; I163-K191 PolarHBondContact N-O 2.91Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 2.81Å; K191-S193 PolarHBondContact O-N 3.41Å
192L97.1Very high94Very high29 Ų2959.4 Ų59.415%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-77117.6179-177.260.7000110.2L153 L165 L184 L189 V195L153-L192 HydrophobicContact CD1-CB 4.44Å; L153-L192 HydrophobicContact CD1-CD1 4.16Å; L153-L192 HydrophobicContact CD1-CD2 4.41Å; L153-L192 HydrophobicContact CD2-CB 4.02Å; L153-L192 HydrophobicContact CD2-CD1 3.76Å; L153-L192 HydrophobicContact CD2-CG 4.46Å; L165-L192 HydrophobicContact CB-CD1 4.12Å; L184-L192 HydrophobicContact CB-CD2 4.21Å; L184-L192 WeakPolarHBondContact O-CD2 2.98Å; L189-L192 HydrophobicContact CB-CB 4.05Å; L189-L192 WeakPolarHBondContact O-CB 3.47Å; L189-L192 PolarHBondContact O-N 3.14Å; L189-L192 VanDerWaalsContact O-N 3.08Å; L192-V195 HydrophobicContact CD1-CG2 3.71Å; L192-V195 HydrophobicContact CD2-CG2 3.78Å; L192-V195 HydrophobicContact CG-CG2 4.23Å
193S94.8Very high93.4Very high68 Ų6860.4 Ų60.448%0.47633%0.329SS..EExtended strand (participates in β ladder)trans-89.6-48.1172.7-179.60000111.6I163 K191I163-S193 WeakPolarHBondContact O-CB 3.49Å; I163-S193 PolarHBondContact O-N 3.27Å; K191-S193 PolarHBondContact O-N 3.41Å
194R95Very high92.9Very high146 Ų14656.4 Ų56.455%0.55131%0.305SS*.EExtended strand (participates in β ladder)trans-161.5151.7-179.5-161.7169.4-176178.42.8110.7E164 L165E164-R194 HydrophobicContact CG-CB 4.27Å; L165-R194 PolarHBondContact N-O 2.88Å
195V96.4Very high92.8Very high1 Ų155.9 Ų55.91%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-112.2130.3172.1-173.60000109.4L165 L167 R181 L184 E185 L192L165-V195 CarbonylContact O-C 3.58Å; L165-V195 WeakPolarHBondContact O-CA 3.46Å; L167-V195 HydrophobicContact CD1-CG1 3.77Å; L167-V195 HydrophobicContact CG-CG1 4.14Å; R181-V195 HydrophobicContact CB-CG1 3.92Å; R181-V195 HydrophobicContact CG-CB 3.91Å; R181-V195 HydrophobicContact CG-CG1 3.77Å; R181-V195 PolarHBondContact NE-O 2.76Å; L184-V195 HydrophobicContact CB-CG2 4.11Å; L184-V195 HydrophobicContact CD1-CG2 4.42Å; E185-V195 HydrophobicContact CG-CG2 4.31Å; L192-V195 HydrophobicContact CD1-CG2 3.71Å; L192-V195 HydrophobicContact CD2-CG2 3.78Å; L192-V195 HydrophobicContact CG-CG2 4.23Å
196H95Very high92.5Very high45 Ų4554.4 Ų54.421%0.20830%0.3CS..EExtended strand (participates in β ladder)trans-115.8142.7172.8-61.2-82.8000109.7E164 L165 Y166 L167E164-H196 WeakPolarHBondContact CG-NE2 3.42Å; E164-H196 IonicContact OE1-CD2 2.62Å; E164-H196 IonicContact OE1-CE1 3.46Å; E164-H196 IonicContact OE1-NE2 2.84Å; E164-H196 PolarHBondContact OE1-NE2 3.2Å; L165-H196 PolarHBondContact O-N 3.33Å; Y166-H196 HydrophobicContact CD1-CB 3.58Å; Y166-H196 AromaticContact CD1-CG 4Å; Y166-H196 HydrophobicContact CE1-CB 3.84Å; Y166-H196 AromaticContact CE1-CD2 3.59Å; Y166-H196 AromaticContact CE1-CG 3.74Å; Y166-H196 AromaticContact CE2-CD2 3.96Å; Y166-H196 HydrophobicContact CG-CB 4.18Å; Y166-H196 AromaticContact CZ-CD2 3.53Å; L167-H196 PolarHBondContact N-O 2.85Å
197I94.7Very high91.9Very high35 Ų3553.5 Ų53.518%0.17930%0.295CS..EExtended strand (participates in β ladder)trans-112.6134.3172-64.7166.7000107L167 L177 F178 R181L167-I197 WeakPolarHBondContact O-CA 3.31Å; L177-I197 HydrophobicContact CB-CD1 4.09Å; L177-I197 HydrophobicContact CB-CG1 4.13Å; L177-I197 HydrophobicContact CB-CG2 3.84Å; L177-I197 HydrophobicContact CD1-CG2 3.8Å; L177-I197 HydrophobicContact CG-CG2 4.49Å; L177-I197 VanDerWaalsContact O-CD1 3.3Å; L177-I197 WeakPolarHBondContact O-CD1 3.43Å; F178-I197 HydrophobicContact CB-CD1 4.4Å; F178-I197 HydrophobicContact CD1-CD1 3.33Å; F178-I197 HydrophobicContact CE1-CD1 3.77Å; F178-I197 HydrophobicContact CG-CD1 4Å; R181-I197 HydrophobicContact CB-CD1 3.78Å; R181-I197 HydrophobicContact CB-CG1 4.28Å; R181-I197 HydrophobicContact CG-CD1 4.35Å
198S89.6Confident91.8Very high9 Ų951 Ų516%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-140.7138.8170.6-176.30000110.4L167 N168 D200 E203L167-S198 PolarHBondContact O-N 2.81Å; N168-S198 VanDerWaalsContact CA-O 3.31Å; N168-S198 WeakPolarHBondContact CA-O 3.31Å; N168-S198 PolarHBondContact ND2-O 3.06Å; S198-D200 PolarHBondContact OG-N 3.39Å; S198-D200 VanDerWaalsContact OG-N 3.14Å; S198-D200 PolarHBondContact OG-O 2.86Å; S198-E203 PolarHBondContact OG-OE2 2.88Å
199D86.5Confident91.7Very high67 Ų6750.3 Ų50.336%0.35826%0.255SS..SBendtrans-91.8-9.9168.345.422.7000112V171 K174V171-D199 HydrophobicContact CG2-CB 4.03Å; K174-D199 IonicContact NZ-OD2 2.71Å; K174-D199 PolarHBondContact NZ-OD2 2.98Å
200D87.4Confident91.7Very high54 Ų5449.8 Ų49.829%0.28925%0.252SS..  trans-114.1106.3168.3-171.56.4000111.7S198 D202 E203 K253S198-D200 PolarHBondContact OG-N 3.39Å; S198-D200 VanDerWaalsContact OG-N 3.14Å; S198-D200 PolarHBondContact OG-O 2.86Å; D200-D202 VanDerWaalsContact CG-CB 3.5Å; D200-D202 PolarHBondContact O-N 3.34Å; D200-D202 WeakPolarHBondContact OD1-CB 3.46Å; D200-D202 PolarHBondContact OD1-N 3.24Å; D200-D202 WeakPolarHBondContact OD2-CB 3.3Å; D200-E203 HydrophobicContact CB-CG 4.39Å; D200-E203 PolarHBondContact O-N 3.36Å; D200-K253 IonicContact OD1-NZ 3.79Å; D200-K253 PolarHBondContact OD1-NZ 3.14Å
201V88.1Confident91.7Very high13 Ų1346.3 Ų46.38%0.07923%0.229CC..G310 helixtrans-49.1-27.2173.372.80000112.9I138 N168 E203 C204 L205 L250 K253I138-V201 HydrophobicContact CD1-CG2 3.55Å; I138-V201 HydrophobicContact CG1-CG2 4.17Å; N168-V201 PolarHBondContact ND2-N 3.36Å; V201-E203 PolarHBondContact O-N 2.9Å; V201-C204 PolarHBondContact O-N 2.79Å; V201-C204 PolarHBondContact O-SG 3.03Å; V201-L205 HydrophobicContact CG1-CD1 4.38Å; V201-L205 HydrophobicContact CG2-CD1 4.09Å; V201-L205 HydrophobicContact CG2-CD2 4.06Å; V201-L205 HydrophobicContact CG2-CG 4Å; V201-L205 VanDerWaalsContact O-CG 3.25Å; V201-L205 WeakPolarHBondContact O-CG 3.36Å; V201-L205 PolarHBondContact O-N 2.85Å; V201-L250 HydrophobicContact CG1-CD1 4.07Å; V201-L250 HydrophobicContact CG2-CD1 4.05Å; V201-K253 HydrophobicContact CG1-CD 3.79Å
202D87.8Confident91.7Very high38 Ų3844.9 Ų44.920%0.20322%0.223CC..G310 helixtrans-61.1-27.8-179-151.339.4000113.8D200 K253 K257D200-D202 VanDerWaalsContact CG-CB 3.5Å; D200-D202 PolarHBondContact O-N 3.34Å; D200-D202 WeakPolarHBondContact OD1-CB 3.46Å; D200-D202 PolarHBondContact OD1-N 3.24Å; D200-D202 WeakPolarHBondContact OD2-CB 3.3Å; D202-K253 HydrophobicContact CB-CD 4.14Å; D202-K257 VanDerWaalsContact O-CD 3.28Å; D202-K257 WeakPolarHBondContact O-CD 3.46Å; D202-K257 PolarHBondContact O-NZ 3.08Å; D202-K257 WeakPolarHBondContact OD1-CD 3.49Å; D202-K257 WeakPolarHBondContact OD1-CE 3.42Å; D202-K257 IonicContact OD1-NZ 3.85Å; D202-K257 PolarHBondContact OD1-NZ 2.77Å; D202-K257 VanDerWaalsContact OD1-NZ 3.14Å; D202-K257 WeakPolarHBondContact OD2-CE 3.39Å; D202-K257 IonicContact OD2-NZ 2.75Å; D202-K257 PolarHBondContact OD2-NZ 2.89Å
203E83.2Confident91.7Very high138 Ų13843.6 Ų43.665%0.64522%0.216SC*.G310 helixtrans-72.5-30.2-179-64-179.6155.800112.4S198 D200 V201S198-E203 PolarHBondContact OG-OE2 2.88Å; D200-E203 HydrophobicContact CB-CG 4.39Å; D200-E203 PolarHBondContact O-N 3.36Å; V201-E203 PolarHBondContact O-N 2.9Å
204C85.3Confident91.6Very high5 Ų540.6 Ų40.63%0.03420%0.195CC..THydrogen-bonded Turntrans-98.8-17.5-174.359.20000114.4I136 Y166 V201 T206I136-C204 HydrophobicContact CD1-CB 3.97Å; I136-C204 WeakPolarHBondContact CD1-O 3.28Å; I136-C204 HydrophobicContact CG1-CB 4.41Å; Y166-C204 HydrophobicContact CD1-CB 3.4Å; Y166-C204 HydrophobicContact CE1-CB 4.08Å; Y166-C204 HydrophobicContact CG-CB 3.81Å; V201-C204 PolarHBondContact O-N 2.79Å; V201-C204 PolarHBondContact O-SG 3.03Å; C204-T206 VanDerWaalsContact C-N 3.35Å; C204-T206 PolarHBondContact O-N 2.78Å
205L94.2Very high91.1Very high0 Ų034.9 Ų34.90%018%0.175CC..G310 helixtrans-68.1-23.2-172.1-71.9172.3000115.8I136 V201 H207 A208 V211 K253 M254 K257 C258I136-L205 HydrophobicContact CD1-CD2 4.27Å; V201-L205 HydrophobicContact CG1-CD1 4.38Å; V201-L205 HydrophobicContact CG2-CD1 4.09Å; V201-L205 HydrophobicContact CG2-CD2 4.06Å; V201-L205 HydrophobicContact CG2-CG 4Å; V201-L205 VanDerWaalsContact O-CG 3.25Å; V201-L205 WeakPolarHBondContact O-CG 3.36Å; V201-L205 PolarHBondContact O-N 2.85Å; L205-H207 PolarHBondContact O-N 2.81Å; L205-A208 WeakPolarHBondContact O-CB 3.4Å; L205-A208 PolarHBondContact O-N 2.85Å; L205-V211 HydrophobicContact CD2-CG2 4.48Å; L205-K253 HydrophobicContact CD1-CB 3.83Å; L205-M254 HydrophobicContact CD1-CG 4.05Å; L205-M254 HydrophobicContact CD2-CG 4.06Å; L205-K257 HydrophobicContact CB-CB 3.92Å; L205-C258 WeakPolarHBondContact O-CA 3.5Å
206T90.4Very high90.8Very high65 Ų6535.5 Ų35.540%0.39918%0.179SC..G310 helixtrans-61.9-38.8-171.3-54.60000113.4C204C204-T206 VanDerWaalsContact C-N 3.35Å; C204-T206 PolarHBondContact O-N 2.78Å
207H83.4Confident90.6Very high138 Ų13834.3 Ų34.364%0.63917%0.174SC*.G310 helixtrans-10913.5-177.8-61.2-67.3000112.6N134 L205 K209N134-H207 VanDerWaalsContact CB-O 3.26Å; N134-H207 WeakPolarHBondContact CB-O 3.36Å; N134-H207 WeakPolarHBondContact ND2-CB 3.2Å; L205-H207 PolarHBondContact O-N 2.81Å; H207-K209 PolarHBondContact O-N 2.85Å; H207-K209 VanDerWaalsContact O-N 3.17Å
208A94.5Very high90.2Very high0 Ų036 Ų360%019%0.187CC..  trans-58117.8-17600000112.1I136 L205 V211 P259 V262I136-A208 HydrophobicContact CD1-CB 3.41Å; I136-A208 VanDerWaalsContact CD1-CB 3.41Å; I136-A208 HydrophobicContact CG1-CB 4.32Å; L205-A208 WeakPolarHBondContact O-CB 3.4Å; L205-A208 PolarHBondContact O-N 2.85Å; A208-V211 HydrophobicContact CB-CG2 3.92Å; A208-P259 WeakPolarHBondContact O-CD 3.3Å; A208-P259 WeakPolarHBondContact O-CG 3.49Å; A208-V262 HydrophobicContact CB-CG2 3.84Å; A208-V262 WeakPolarHBondContact O-CG2 3.25Å
209K94.4Very high90Very high76 Ų7636.5 Ų36.533%0.3319%0.188SC..SBendtrans-89.3-45.2165.4-172.3-177.4-177.4-172.70110.4S133 N134 E161 H207 V262 R263S133-K209 WeakPolarHBondContact OG-CD 3.13Å; S133-K209 PolarHBondContact OG-NZ 3.14Å; N134-K209 PolarHBondContact O-N 2.8Å; E161-K209 IonicContact OE1-NZ 3.14Å; E161-K209 PolarHBondContact OE1-NZ 2.9Å; E161-K209 IonicContact OE2-NZ 2.64Å; E161-K209 PolarHBondContact OE2-NZ 3.49Å; H207-K209 PolarHBondContact O-N 2.85Å; H207-K209 VanDerWaalsContact O-N 3.17Å; K209-V262 WeakPolarHBondContact O-CA 3.45Å; K209-R263 PolarHBondContact O-N 3.38Å
210Q95.5Very high90Very high11 Ų1138.9 Ų38.95%0.05120%0.197CC..EExtended strand (participates in β ladder)trans-125.1137.2179.5-48.5-610.300110.6N134 V135 I136 F158 R263 W417N134-Q210 PolarHBondContact O-N 3.24Å; N134-Q210 VanDerWaalsContact O-N 3.16Å; V135-Q210 HydrophobicContact CB-CB 4.5Å; V135-Q210 HydrophobicContact CG1-CB 4.29Å; V135-Q210 HydrophobicContact CG2-CB 4.19Å; V135-Q210 HydrophobicContact CG2-CG 4.14Å; I136-Q210 PolarHBondContact N-O 2.89Å; F158-Q210 HydrophobicContact CE1-CG 4.26Å; F158-Q210 HydrophobicContact CZ-CG 3.95Å; Q210-R263 CarbonylContact C-O 3.56Å; Q210-R263 WeakPolarHBondContact CA-O 3.32Å; Q210-W417 VanDerWaalsContact NE2-NE1 3.13Å
211V97.2Very high89.6Confident1 Ų138.5 Ų38.51%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-127.2118.3171.7-177.10000108.8I136 I138 L205 A208 I213 M254 V262 R263 V264 L265I136-V211 HydrophobicContact CB-CG2 4.33Å; I136-V211 HydrophobicContact CD1-CG2 4.23Å; I136-V211 CarbonylContact O-C 3.59Å; I136-V211 WeakPolarHBondContact O-CA 3.41Å; I138-V211 HydrophobicContact CD1-CG1 3.76Å; I138-V211 HydrophobicContact CG1-CG1 4.24Å; L205-V211 HydrophobicContact CD2-CG2 4.48Å; A208-V211 HydrophobicContact CB-CG2 3.92Å; V211-I213 HydrophobicContact CG1-CD1 4.37Å; V211-I213 HydrophobicContact CG1-CG1 3.89Å; V211-M254 HydrophobicContact CB-CE 4.47Å; V211-M254 HydrophobicContact CG1-CE 4.48Å; V211-M254 HydrophobicContact CG2-CE 4.25Å; V211-V262 HydrophobicContact CG2-CG2 3.74Å; V211-R263 PolarHBondContact N-O 3.48Å; V211-V264 HydrophobicContact CB-CG1 4.23Å; V211-V264 HydrophobicContact CB-CG2 4.35Å; V211-V264 HydrophobicContact CG1-CG1 4.38Å; V211-V264 CarbonylContact O-C 3.55Å; V211-V264 VanDerWaalsContact O-CA 3.25Å; V211-V264 WeakPolarHBondContact O-CA 3.42Å; V211-L265 PolarHBondContact O-N 2.97Å
212I96.3Very high88.8Confident4 Ų439.4 Ų39.42%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-108.6117.5175.6-61.8140.5000107.1V135 I136 V137 I138 F148 I152 L214 L265 L413V135-I212 HydrophobicContact CG1-CD1 3.86Å; I136-I212 PolarHBondContact O-N 3.27Å; V137-I212 WeakPolarHBondContact CA-O 3.37Å; V137-I212 HydrophobicContact CG2-CD1 4.32Å; I138-I212 PolarHBondContact N-O 3.37Å; F148-I212 HydrophobicContact CE1-CD1 4.01Å; F148-I212 HydrophobicContact CE1-CG2 4.26Å; F148-I212 HydrophobicContact CZ-CD1 3.77Å; F148-I212 HydrophobicContact CZ-CG1 4.39Å; F148-I212 HydrophobicContact CZ-CG2 4.29Å; I152-I212 HydrophobicContact CD1-CD1 4.23Å; I212-L214 HydrophobicContact CG2-CD2 4.05Å; I212-L265 WeakPolarHBondContact CA-O 3.48Å; I212-L413 HydrophobicContact CD1-CD1 4.43Å
213I95.6Very high87.6Confident1 Ų141.2 Ų41.21%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-106.6113-178.6-49.3179.7000108I138 V211 V216 F247 L250 V264 L265 L266 A267 G268 L290I138-I213 HydrophobicContact CB-CG2 4.45Å; I138-I213 HydrophobicContact CD1-CG1 4.22Å; V211-I213 HydrophobicContact CG1-CD1 4.37Å; V211-I213 HydrophobicContact CG1-CG1 3.89Å; I213-V216 HydrophobicContact CG2-CG1 3.86Å; I213-V216 HydrophobicContact CG2-CG2 4.16Å; I213-F247 HydrophobicContact CD1-CE1 4.23Å; I213-F247 HydrophobicContact CG2-CE1 4.1Å; I213-F247 HydrophobicContact CG2-CZ 4.21Å; I213-L250 HydrophobicContact CD1-CD2 3.73Å; I213-V264 HydrophobicContact CD1-CG1 3.88Å; I213-V264 HydrophobicContact CG1-CG1 4.28Å; I213-L265 PolarHBondContact N-O 2.9Å; I213-L266 HydrophobicContact CB-CG 4.44Å; I213-L266 HydrophobicContact CD1-CG 4.28Å; I213-A267 PolarHBondContact O-N 2.93Å; I213-G268 PolarHBondContact O-N 2.8Å; I213-L290 HydrophobicContact CD1-CD2 4.25Å
214L92.7Very high86.5Confident6 Ų638.2 Ų38.23%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-83.1-157.7176.1-55.4178.8000109.9V137 I138 G139 I145 I212 V216 A267 M409V137-L214 HydrophobicContact CG1-CD1 3.76Å; V137-L214 HydrophobicContact CG1-CG 4.14Å; I138-L214 WeakPolarHBondContact O-CB 3.41Å; I138-L214 PolarHBondContact O-N 2.93Å; G139-L214 WeakPolarHBondContact O-CD1 3.31Å; I145-L214 HydrophobicContact CD1-CD1 4.01Å; I145-L214 HydrophobicContact CG2-CD1 3.69Å; I212-L214 HydrophobicContact CG2-CD2 4.05Å; L214-V216 PolarHBondContact O-N 2.86Å; L214-V216 VanDerWaalsContact O-N 3.11Å; L214-A267 HydrophobicContact CD2-CB 3.95Å; L214-M409 HydrophobicContact CD2-CE 4.36Å; L214-M409 HydrophobicContact CD2-SD 3.76Å
215D86Confident85.1Confident25 Ų2542.5 Ų42.513%0.13424%0.242CC..  trans-82.592.5173.6-165.722.9000112.6I217 P218 R243 G268 N269D215-I217 PolarHBondContact OD1-N 3.44Å; D215-P218 WeakPolarHBondContact OD2-CA 3.33Å; D215-R243 IonicContact OD1-CZ 2.81Å; D215-R243 IonicContact OD1-NH1 3.72Å; D215-R243 PolarHBondContact OD1-NH1 3.24Å; D215-R243 IonicContact OD1-NH2 2.85Å; D215-G268 PolarHBondContact N-O 2.87Å; D215-N269 HydrophobicContact CB-CB 3.77Å; D215-N269 VanDerWaalsContact OD2-CB 3.25Å; D215-N269 WeakPolarHBondContact OD2-CB 3.49Å; D215-N269 PolarHBondContact OD2-ND2 3Å; D215-N269 VanDerWaalsContact OD2-ND2 3.12Å
216V89.4Confident83.2Confident15 Ų1546.7 Ų46.79%0.09127%0.265CS..SBendtrans-80.5-22.7-179.9-68.60000113.6I138 I213 L214 Y246 F247I138-V216 HydrophobicContact CB-CG1 4.44Å; I138-V216 HydrophobicContact CG2-CG1 3.6Å; I213-V216 HydrophobicContact CG2-CG1 3.86Å; I213-V216 HydrophobicContact CG2-CG2 4.16Å; L214-V216 PolarHBondContact O-N 2.86Å; L214-V216 VanDerWaalsContact O-N 3.11Å; V216-Y246 HydrophobicContact CB-CE1 3.91Å; V216-Y246 HydrophobicContact CB-CE2 4.4Å; V216-Y246 HydrophobicContact CG1-CE1 4.32Å; V216-Y246 HydrophobicContact CG2-CD1 3.81Å; V216-Y246 HydrophobicContact CG2-CE1 3.42Å; V216-Y246 VanDerWaalsContact CG2-CE1 3.42Å; V216-F247 HydrophobicContact CG2-CE2 4.09Å; V216-F247 HydrophobicContact CG2-CZ 3.85Å
217I90.3Very high81.4Confident19 Ų1948.2 Ų48.210%0.09727%0.269CS..SBendtrans-137.775.5-175.9-59.5-67.7000108.7D215 W239 R242 R243 Y246D215-I217 PolarHBondContact OD1-N 3.44Å; I217-W239 PolarHBondContact O-NE1 3.29Å; I217-R242 HydrophobicContact CG2-CB 4.08Å; I217-R243 HydrophobicContact CB-CG 3.94Å; I217-R243 HydrophobicContact CG2-CG 3.66Å; I217-R243 PolarHBondContact O-NH1 3.25Å; I217-Y246 HydrophobicContact CD1-CD2 3.83Å; I217-Y246 HydrophobicContact CD1-CG 4.02Å; I217-Y246 HydrophobicContact CG1-CD1 4.25Å; I217-Y246 HydrophobicContact CG1-CD2 4.05Å; I217-Y246 HydrophobicContact CG1-CG 3.76Å
218P86Confident79.8Confident70 Ų7051 Ų5146%0.45527%0.274SS..PPolyproline II helixtrans-61.7154.3176.626.1-34.2000111.2D215 R242D215-P218 WeakPolarHBondContact OD2-CA 3.33Å; P218-R242 PolarHBondContact O-NH2 2.74Å
219R86.3Confident78.1Confident20 Ų2054.3 Ų54.38%0.07529%0.294CS..PPolyproline II helixtrans-71.7132.1172.1-168.3173.6178.4-176.7-14.2108.5W233 E234 W239 E278 M279R219-W233 HydrophobicContact CB-CE3 4.27Å; R219-W233 HydrophobicContact CB-CZ3 4.41Å; R219-W233 HydrophobicContact CG-CE3 4.1Å; R219-W233 WeakPolarHBondContact O-CZ3 3.46Å; R219-E234 HydrophobicContact CG-CB 4.39Å; R219-E234 PolarHBondContact NE-O 2.64Å; R219-E234 PolarHBondContact NH2-O 3.2Å; R219-W239 HydrophobicContact CB-CD2 3.68Å; R219-W239 HydrophobicContact CB-CE3 4.11Å; R219-W239 HydrophobicContact CB-CG 3.95Å; R219-W239 HydrophobicContact CB-CH2 4.38Å; R219-W239 HydrophobicContact CB-CZ2 4.05Å; R219-W239 HydrophobicContact CB-CZ3 4.44Å; R219-W239 HydrophobicContact CG-CB 4.09Å; R219-W239 HydrophobicContact CG-CD2 3.84Å; R219-W239 HydrophobicContact CG-CE3 4.07Å; R219-W239 HydrophobicContact CG-CG 3.86Å; R219-E278 PolarHBondContact NH1-O 3.01Å; R219-M279 PolarHBondContact NH1-SD 2.96Å
220E85.5Confident76.5Confident118 Ų11855.2 Ų55.255%0.55130%0.3SS*.PPolyproline II helixtrans-77.4138.5-179.9-68.4173-165.200110.1E234 R242E220-E234 HydrophobicContact CB-CB 4.07Å; E220-E234 PolarHBondContact N-OE2 2.89Å; E220-E234 VanDerWaalsContact O-CB 3.27Å; E220-E234 WeakPolarHBondContact O-CB 3.38Å; E220-E234 PolarHBondContact O-N 3.03Å; E220-R242 IonicContact OE1-CZ 2.78Å; E220-R242 IonicContact OE1-NH1 3.44Å
221G80Confident75Confident45 Ų4561.8 Ų61.846%0.46434%0.335SS..  trans174.2179.1-17700000112.4
222P71.1Confident74Confident32 Ų3266.1 Ų66.121%0.20836%0.355CS..  trans-63.1157.2177.628.9-36.8000111.5E232P222-E232 WeakPolarHBondContact CD-O 3.49Å; P222-E232 HydrophobicContact CG-CB 3.85Å
223S63.1Low73.2Confident76 Ų7667.7 Ų67.753%0.53136%0.361SS..  trans-57.1140.9169.8-179.50000110S225 D226S223-S225 PolarHBondContact O-N 2.77Å; S223-S225 PolarHBondContact OG-OG 3.04Å; S223-D226 PolarHBondContact O-N 3.47Å
224F59.1Low72.8Confident76 Ų7668.8 Ų68.833%0.33337%0.366SS..G310 helixtrans-56.1-21.5178.8-85.6-91.6000113.4D226 I227 W233 A272 T274F224-D226 PolarHBondContact O-N 3.08Å; F224-I227 HydrophobicContact CB-CD1 4.44Å; F224-I227 HydrophobicContact CD1-CD1 3.84Å; F224-I227 WeakPolarHBondContact O-CD1 3.18Å; F224-I227 VanDerWaalsContact O-CG1 3.27Å; F224-I227 WeakPolarHBondContact O-CG1 3.27Å; F224-W233 HydrophobicContact CD2-CH2 4.34Å; F224-W233 AromaticContact CE2-CH2 3.8Å; F224-W233 HydrophobicContact CE2-CH2 3.8Å; F224-W233 HydrophobicContact CE2-CZ2 4.29Å; F224-W233 HydrophobicContact CZ-CH2 4.05Å; F224-W233 HydrophobicContact CZ-CZ2 4.26Å; F224-A272 HydrophobicContact CZ-CB 4.48Å; F224-T274 HydrophobicContact CE1-CG2 3.89Å
225S56.2Low72.6Confident95 Ų9571.9 Ų71.966%0.66439%0.387SS*.G310 helixtrans-65-21.7174.249.60000114.1S223S223-S225 PolarHBondContact O-N 2.77Å; S223-S225 PolarHBondContact OG-OG 3.04Å
226D53.4Low72.5Confident88 Ų8872.7 Ų72.747%0.47139%0.388SS..G310 helixtrans-112.820-169.4-66.4-55.4000113.9S223 F224 R228S223-D226 PolarHBondContact O-N 3.47Å; F224-D226 PolarHBondContact O-N 3.08Å; D226-R228 PolarHBondContact O-N 2.93Å
227I54.3Low72.4Confident96 Ų9676.9 Ų76.949%0.49241%0.41SS..  trans-58.2112.4-175-63.1161.2000111.4F224F224-I227 HydrophobicContact CB-CD1 4.44Å; F224-I227 HydrophobicContact CD1-CD1 3.84Å; F224-I227 WeakPolarHBondContact O-CD1 3.18Å; F224-I227 VanDerWaalsContact O-CG1 3.27Å; F224-I227 WeakPolarHBondContact O-CG1 3.27Å
228R49.9Very low72.4Confident198 Ų19881.1 Ų81.175%0.74743%0.429SS*.SBendtrans-113.8-39.5162.8-75.8-174.8-93.3-99.7-2.5113.2D226D226-R228 PolarHBondContact O-N 2.93Å
229T57.3Low72.6Confident69 Ų6977.8 Ų77.842%0.42341%0.408SS..  trans-153.2157.2-178.961.30000114.4D231T229-D231 PolarHBondContact O-N 3.18Å
230Q60.5Low72.8Confident94 Ų9476.9 Ų76.944%0.43940%0.404SS..G310 helixtrans-66.8-24.2174.9176.9168.61.200112.8E232 W233 E278 M279Q230-E232 PolarHBondContact O-N 2.81Å; Q230-W233 PolarHBondContact O-N 3.45Å; Q230-W233 VanDerWaalsContact O-N 3.16Å; Q230-E278 PolarHBondContact NE2-OE2 3.43Å; Q230-M279 HydrophobicContact CG-CE 3.69Å
231D65.6Low73.1Confident150 Ų15073 Ų7380%0.80239%0.387SS*.G310 helixtrans-69.3-13-176-60.7-41.3000113.5T229 W233T229-D231 PolarHBondContact O-N 3.18Å; D231-W233 VanDerWaalsContact C-N 3.31Å
232E75.1Confident73.7Confident91 Ų9174 Ų7443%0.42538%0.377SS..G310 helixtrans-81.6-10175.1-66.2173.6-17000113.1P222 Q230P222-E232 WeakPolarHBondContact CD-O 3.49Å; P222-E232 HydrophobicContact CG-CB 3.85Å; Q230-E232 PolarHBondContact O-N 2.81Å
233W79.8Confident74.8Confident37 Ų3772.6 Ų72.614%0.1437%0.367CS..SBendtrans-91.2143.7178.7-69.179000111.5R219 F224 Q230 D231 M279R219-W233 HydrophobicContact CB-CE3 4.27Å; R219-W233 HydrophobicContact CB-CZ3 4.41Å; R219-W233 HydrophobicContact CG-CE3 4.1Å; R219-W233 WeakPolarHBondContact O-CZ3 3.46Å; F224-W233 HydrophobicContact CD2-CH2 4.34Å; F224-W233 AromaticContact CE2-CH2 3.8Å; F224-W233 HydrophobicContact CE2-CH2 3.8Å; F224-W233 HydrophobicContact CE2-CZ2 4.29Å; F224-W233 HydrophobicContact CZ-CH2 4.05Å; F224-W233 HydrophobicContact CZ-CZ2 4.26Å; Q230-W233 PolarHBondContact O-N 3.45Å; Q230-W233 VanDerWaalsContact O-N 3.16Å; D231-W233 VanDerWaalsContact C-N 3.31Å; W233-M279 HydrophobicContact CB-CE 4.21Å; W233-M279 HydrophobicContact CD2-SD 4.06Å; W233-M279 HydrophobicContact CE3-SD 4.31Å; W233-M279 HydrophobicContact CG-CE 4.11Å; W233-M279 HydrophobicContact CG-SD 4.14Å
234E88.1Confident76.2Confident25 Ų2571.2 Ų71.212%0.11735%0.352CS..  trans-45.7133.6170178.2-165.1-168.200110.5R219 E220 R236 E238 W239 R242R219-E234 HydrophobicContact CG-CB 4.39Å; R219-E234 PolarHBondContact NE-O 2.64Å; R219-E234 PolarHBondContact NH2-O 3.2Å; E220-E234 HydrophobicContact CB-CB 4.07Å; E220-E234 PolarHBondContact N-OE2 2.89Å; E220-E234 VanDerWaalsContact O-CB 3.27Å; E220-E234 WeakPolarHBondContact O-CB 3.38Å; E220-E234 PolarHBondContact O-N 3.03Å; E234-R236 PolarHBondContact O-N 3.42Å; E234-E238 HydrophobicContact CG-CB 4.15Å; E234-W239 WeakPolarHBondContact OE1-CA 3.44Å; E234-W239 PolarHBondContact OE1-N 3.24Å; E234-W239 VanDerWaalsContact OE1-N 3.16Å; E234-W239 WeakPolarHBondContact OE2-CB 3.38Å; E234-R242 IonicContact OE1-CZ 3.82Å; E234-R242 IonicContact OE1-NE 3.16Å; E234-R242 PolarHBondContact OE1-NE 3Å; E234-R242 IonicContact OE1-NH2 3.77Å; E234-R242 PolarHBondContact OE1-NH2 3.38Å; E234-R242 IonicContact OE2-CZ 2.76Å; E234-R242 IonicContact OE2-NE 3.09Å; E234-R242 IonicContact OE2-NH2 2.98Å; E234-R242 PolarHBondContact OE2-NH2 3.08Å
235P87.2Confident77.9Confident71 Ų7171.8 Ų71.846%0.46136%0.358SS..  trans-54.3134.1178.6-26.534.5000112.7N237 E238 W239P235-N237 PolarHBondContact O-N 2.59Å; P235-E238 HydrophobicContact CB-CG 4.27Å; P235-E238 PolarHBondContact O-N 3.26Å; P235-W239 PolarHBondContact O-N 2.79Å; P235-W239 VanDerWaalsContact O-N 3.16Å
236R85.3Confident79.7Confident42 Ų4270.3 Ų70.316%0.15834%0.338CS..Hα-helixtrans-53.3-33.9-175.3-173.6175.4-177.3-84.6-3.6113.6E234 W239 L240 G339E234-R236 PolarHBondContact O-N 3.42Å; R236-W239 HydrophobicContact CG-CE3 4.35Å; R236-L240 HydrophobicContact CG-CD1 3.89Å; R236-L240 HydrophobicContact CG-CG 4.41Å; R236-L240 VanDerWaalsContact NH1-CD1 3.31Å; R236-L240 WeakPolarHBondContact O-CB 3.45Å; R236-L240 WeakPolarHBondContact O-CD1 3.03Å; R236-L240 WeakPolarHBondContact O-CG 3.32Å; R236-L240 PolarHBondContact O-N 3.15Å; R236-G339 PolarHBondContact NH2-O 3.09Å
237N87.4Confident81.7Confident102 Ų10266.2 Ų66.255%0.54532%0.316SS..Hα-helixtrans-70-35.2178.6-67.6-27.4000113P235 L241P235-N237 PolarHBondContact O-N 2.59Å; N237-L241 PolarHBondContact O-N 3.46Å
238E90Very high83.6Confident109 Ų10962.5 Ų62.551%0.50930%0.297SS..Hα-helixtrans-70.9-43.1177.2-63.9-172.7164.100110.3E234 P235 L240 L241 R242E234-E238 HydrophobicContact CG-CB 4.15Å; P235-E238 HydrophobicContact CB-CG 4.27Å; P235-E238 PolarHBondContact O-N 3.26Å; E238-L240 PolarHBondContact O-N 3.48Å; E238-L241 WeakPolarHBondContact O-CB 3.21Å; E238-L241 PolarHBondContact O-N 2.89Å; E238-L241 VanDerWaalsContact O-N 3.1Å; E238-R242 PolarHBondContact O-N 3.26Å
239W90.1Very high85.8Confident0 Ų059.3 Ų59.30%029%0.289CS..Hα-helixtrans-56.6-49.5172.5175.839.2000112I217 R219 E234 P235 R236 L241 R242 R243 T280 P282I217-W239 PolarHBondContact O-NE1 3.29Å; R219-W239 HydrophobicContact CB-CD2 3.68Å; R219-W239 HydrophobicContact CB-CE3 4.11Å; R219-W239 HydrophobicContact CB-CG 3.95Å; R219-W239 HydrophobicContact CB-CH2 4.38Å; R219-W239 HydrophobicContact CB-CZ2 4.05Å; R219-W239 HydrophobicContact CB-CZ3 4.44Å; R219-W239 HydrophobicContact CG-CB 4.09Å; R219-W239 HydrophobicContact CG-CD2 3.84Å; R219-W239 HydrophobicContact CG-CE3 4.07Å; R219-W239 HydrophobicContact CG-CG 3.86Å; E234-W239 WeakPolarHBondContact OE1-CA 3.44Å; E234-W239 PolarHBondContact OE1-N 3.24Å; E234-W239 VanDerWaalsContact OE1-N 3.16Å; E234-W239 WeakPolarHBondContact OE2-CB 3.38Å; P235-W239 PolarHBondContact O-N 2.79Å; P235-W239 VanDerWaalsContact O-N 3.16Å; R236-W239 HydrophobicContact CG-CE3 4.35Å; W239-L241 PolarHBondContact O-N 3Å; W239-R242 VanDerWaalsContact CD1-NH2 3.25Å; W239-R242 PolarHBondContact O-N 2.89Å; W239-R242 VanDerWaalsContact O-N 3.14Å; W239-R243 WeakPolarHBondContact O-CG 3.47Å; W239-R243 PolarHBondContact O-N 3.01Å; W239-T280 VanDerWaalsContact CH2-O 3.27Å; W239-T280 WeakPolarHBondContact CH2-O 3.25Å; W239-P282 VanDerWaalsContact CH2-CD 3.47Å; W239-P282 HydrophobicContact CH2-CG 4.4Å
240L90.3Very high87.6Confident0 Ų056.3 Ų56.30%027%0.27CS..Hα-helixtrans-62.3-31.6178.2-72.4165.3000112.8R236 E238 R243 F244 P282 F285 M488R236-L240 HydrophobicContact CG-CD1 3.89Å; R236-L240 HydrophobicContact CG-CG 4.41Å; R236-L240 VanDerWaalsContact NH1-CD1 3.31Å; R236-L240 WeakPolarHBondContact O-CB 3.45Å; R236-L240 WeakPolarHBondContact O-CD1 3.03Å; R236-L240 WeakPolarHBondContact O-CG 3.32Å; R236-L240 PolarHBondContact O-N 3.15Å; E238-L240 PolarHBondContact O-N 3.48Å; L240-R243 PolarHBondContact O-N 2.96Å; L240-F244 WeakPolarHBondContact O-CB 3.09Å; L240-F244 PolarHBondContact O-N 2.91Å; L240-P282 HydrophobicContact CD2-CB 3.79Å; L240-P282 HydrophobicContact CD2-CG 3.49Å; L240-P282 VanDerWaalsContact CD2-CG 3.49Å; L240-F285 HydrophobicContact CD2-CB 4.45Å; L240-F285 HydrophobicContact CD2-CD1 3.78Å; L240-F285 HydrophobicContact CD2-CE1 4.16Å; L240-F285 HydrophobicContact CD2-CG 3.99Å; L240-F285 WeakPolarHBondContact O-CE1 3.31Å; L240-M488 HydrophobicContact CB-CE 3.32Å; L240-M488 HydrophobicContact CB-SD 4.2Å; L240-M488 HydrophobicContact CD1-CE 3.35Å; L240-M488 HydrophobicContact CD2-CE 4.23Å; L240-M488 HydrophobicContact CG-CE 3.79Å
241L91.3Very high89.4Confident37 Ų3751.9 Ų51.919%0.19425%0.249CC..Hα-helixtrans-66.7-43.6173.918059.4000111.6N237 E238 W239 R243 F244 L245 L492 M496N237-L241 PolarHBondContact O-N 3.46Å; E238-L241 WeakPolarHBondContact O-CB 3.21Å; E238-L241 PolarHBondContact O-N 2.89Å; E238-L241 VanDerWaalsContact O-N 3.1Å; W239-L241 PolarHBondContact O-N 3Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-F244 WeakPolarHBondContact O-CB 3.14Å; L241-F244 PolarHBondContact O-N 3.33Å; L241-L245 WeakPolarHBondContact O-CG 3.38Å; L241-L245 PolarHBondContact O-N 3.19Å; L241-L492 HydrophobicContact CD1-CB 4.37Å; L241-L492 HydrophobicContact CD1-CD1 4.11Å; L241-L492 HydrophobicContact CD1-CD2 3.99Å; L241-L492 HydrophobicContact CD1-CG 4.4Å; L241-L492 HydrophobicContact CD2-CD2 4.2Å; L241-L492 HydrophobicContact CG-CD2 4.47Å; L241-M496 HydrophobicContact CD1-CE 3.5Å; L241-M496 VanDerWaalsContact CD1-CE 3.5Å; L241-M496 HydrophobicContact CD1-SD 4.21Å; L241-M496 HydrophobicContact CD2-CE 4.24Å; L241-M496 HydrophobicContact CG-CE 4.08Å
242R93.7Very high90.8Very high67 Ų6748.5 Ų48.525%0.25323%0.229SC..Hα-helixtrans-61.2-44.1174.3-65.4-172.3-60.3108.81.7111.1I217 P218 E220 E234 E238 W239 L245 Y246I217-R242 HydrophobicContact CG2-CB 4.08Å; P218-R242 PolarHBondContact O-NH2 2.74Å; E220-R242 IonicContact OE1-CZ 2.78Å; E220-R242 IonicContact OE1-NH1 3.44Å; E234-R242 IonicContact OE1-CZ 3.82Å; E234-R242 IonicContact OE1-NE 3.16Å; E234-R242 PolarHBondContact OE1-NE 3Å; E234-R242 IonicContact OE1-NH2 3.77Å; E234-R242 PolarHBondContact OE1-NH2 3.38Å; E234-R242 IonicContact OE2-CZ 2.76Å; E234-R242 IonicContact OE2-NE 3.09Å; E234-R242 IonicContact OE2-NH2 2.98Å; E234-R242 PolarHBondContact OE2-NH2 3.08Å; E238-R242 PolarHBondContact O-N 3.26Å; W239-R242 VanDerWaalsContact CD1-NH2 3.25Å; W239-R242 PolarHBondContact O-N 2.89Å; W239-R242 VanDerWaalsContact O-N 3.14Å; R242-L245 PolarHBondContact O-N 2.88Å; R242-Y246 PolarHBondContact O-N 3.04Å; R242-Y246 VanDerWaalsContact O-N 3.07Å
243R92.7Very high91.9Very high1 Ų146.1 Ų46.10%0.00422%0.217CC..Hα-helixtrans-60.1-46.7174.7-65.9-166.477.989-3111.8D215 I217 W239 L240 L241 L245 Y246 F247 T281 F285 D286D215-R243 IonicContact OD1-CZ 2.81Å; D215-R243 IonicContact OD1-NH1 3.72Å; D215-R243 PolarHBondContact OD1-NH1 3.24Å; D215-R243 IonicContact OD1-NH2 2.85Å; I217-R243 HydrophobicContact CB-CG 3.94Å; I217-R243 HydrophobicContact CG2-CG 3.66Å; I217-R243 PolarHBondContact O-NH1 3.25Å; W239-R243 WeakPolarHBondContact O-CG 3.47Å; W239-R243 PolarHBondContact O-N 3.01Å; L240-R243 PolarHBondContact O-N 2.96Å; L241-R243 VanDerWaalsContact C-N 3.34Å; R243-L245 VanDerWaalsContact C-N 3.34Å; R243-L245 PolarHBondContact O-N 3.22Å; R243-Y246 PolarHBondContact O-N 3.26Å; R243-F247 HydrophobicContact CB-CD2 4.41Å; R243-F247 WeakPolarHBondContact O-CD2 3.18Å; R243-F247 PolarHBondContact O-N 3.22Å; R243-T281 VanDerWaalsContact NH2-CG2 3.33Å; R243-F285 HydrophobicContact CB-CE1 4.28Å; R243-D286 IonicContact CZ-OD1 2.88Å; R243-D286 IonicContact CZ-OD2 2.61Å; R243-D286 VanDerWaalsContact CZ-OD2 3.3Å; R243-D286 IonicContact NE-OD1 3.47Å; R243-D286 PolarHBondContact NE-OD1 3.22Å; R243-D286 IonicContact NE-OD2 2.77Å; R243-D286 PolarHBondContact NE-OD2 3.21Å; R243-D286 VanDerWaalsContact NE-OD2 3.15Å; R243-D286 IonicContact NH2-OD1 3.38Å; R243-D286 IonicContact NH2-OD2 3.27Å; R243-D286 PolarHBondContact NH2-OD2 3.35Å
244F93.3Very high92.7Very high47 Ų4744.3 Ų44.321%0.20621%0.21CC..Hα-helixtrans-53.5-53.1176.8178.7-104.2000110.7L240 L241 Y246 F247 D248 F285 T289L240-F244 WeakPolarHBondContact O-CB 3.09Å; L240-F244 PolarHBondContact O-N 2.91Å; L241-F244 WeakPolarHBondContact O-CB 3.14Å; L241-F244 PolarHBondContact O-N 3.33Å; F244-Y246 VanDerWaalsContact C-N 3.3Å; F244-Y246 PolarHBondContact O-N 2.99Å; F244-F247 PolarHBondContact O-N 3.49Å; F244-D248 HydrophobicContact CE1-CB 4.48Å; F244-D248 HydrophobicContact CZ-CB 4.46Å; F244-D248 WeakPolarHBondContact O-CA 3.25Å; F244-D248 WeakPolarHBondContact O-CB 3.22Å; F244-D248 PolarHBondContact O-N 2.85Å; F244-F285 HydrophobicContact CB-CE1 4.11Å; F244-F285 HydrophobicContact CB-CZ 3.88Å; F244-F285 HydrophobicContact CD2-CZ 4.12Å; F244-F285 HydrophobicContact CG-CZ 4.45Å; F244-T289 HydrophobicContact CD2-CG2 3.65Å; F244-T289 HydrophobicContact CE2-CG2 3.88Å
245L94.5Very high93.1Very high88 Ų8847.5 Ų47.546%0.46122%0.224SC..Hα-helixtrans-57.4-42.6180-73.6174.5000112.8L241 R242 R243 K249 M496L241-L245 WeakPolarHBondContact O-CG 3.38Å; L241-L245 PolarHBondContact O-N 3.19Å; R242-L245 PolarHBondContact O-N 2.88Å; R243-L245 VanDerWaalsContact C-N 3.34Å; R243-L245 PolarHBondContact O-N 3.22Å; L245-K249 WeakPolarHBondContact O-CB 3.45Å; L245-K249 PolarHBondContact O-N 3.1Å; L245-K249 VanDerWaalsContact O-N 3.14Å; L245-M496 HydrophobicContact CD1-CE 3.65Å; L245-M496 HydrophobicContact CD2-CE 3.56Å; L245-M496 HydrophobicContact CD2-SD 4.44Å; L245-M496 HydrophobicContact CG-CE 3.81Å
246Y94.7Very high93.5Very high64 Ų6450.9 Ų50.925%0.25123%0.234SC..Hα-helixtrans-64.6-56.1177.9179.7-85.6000111.9I138 V216 I217 R242 R243 F244 D248 K249 L250I138-Y246 VanDerWaalsContact CG2-OH 3.32Å; I138-Y246 WeakPolarHBondContact CG2-OH 3.42Å; V216-Y246 HydrophobicContact CB-CE1 3.91Å; V216-Y246 HydrophobicContact CB-CE2 4.4Å; V216-Y246 HydrophobicContact CG1-CE1 4.32Å; V216-Y246 HydrophobicContact CG2-CD1 3.81Å; V216-Y246 HydrophobicContact CG2-CE1 3.42Å; V216-Y246 VanDerWaalsContact CG2-CE1 3.42Å; I217-Y246 HydrophobicContact CD1-CD2 3.83Å; I217-Y246 HydrophobicContact CD1-CG 4.02Å; I217-Y246 HydrophobicContact CG1-CD1 4.25Å; I217-Y246 HydrophobicContact CG1-CD2 4.05Å; I217-Y246 HydrophobicContact CG1-CG 3.76Å; R242-Y246 PolarHBondContact O-N 3.04Å; R242-Y246 VanDerWaalsContact O-N 3.07Å; R243-Y246 PolarHBondContact O-N 3.26Å; F244-Y246 VanDerWaalsContact C-N 3.3Å; F244-Y246 PolarHBondContact O-N 2.99Å; Y246-D248 VanDerWaalsContact C-N 3.27Å; Y246-D248 PolarHBondContact O-N 2.85Å; Y246-K249 PolarHBondContact O-N 3.23Å; Y246-L250 HydrophobicContact CE1-CB 4.42Å; Y246-L250 HydrophobicContact CE1-CD2 3.92Å; Y246-L250 WeakPolarHBondContact O-CB 3.2Å; Y246-L250 PolarHBondContact O-N 3.4Å
247F95.3Very high94Very high2 Ų252 Ų521%0.00924%0.239CC..Hα-helixtrans-68-29.1-177.1-79.9-76.9000112.5I213 V216 R243 F244 L250 G251 L266 D286 T289I213-F247 HydrophobicContact CD1-CE1 4.23Å; I213-F247 HydrophobicContact CG2-CE1 4.1Å; I213-F247 HydrophobicContact CG2-CZ 4.21Å; V216-F247 HydrophobicContact CG2-CE2 4.09Å; V216-F247 HydrophobicContact CG2-CZ 3.85Å; R243-F247 HydrophobicContact CB-CD2 4.41Å; R243-F247 WeakPolarHBondContact O-CD2 3.18Å; R243-F247 PolarHBondContact O-N 3.22Å; F244-F247 PolarHBondContact O-N 3.49Å; F247-L250 HydrophobicContact CD1-CD2 4.43Å; F247-G251 PolarHBondContact O-N 3.31Å; F247-L266 HydrophobicContact CD1-CD2 4.28Å; F247-L266 HydrophobicContact CE1-CD2 3.6Å; F247-L266 HydrophobicContact CE1-CG 4.5Å; F247-L266 HydrophobicContact CZ-CD2 4.1Å; F247-D286 HydrophobicContact CD1-CB 4.2Å; F247-D286 HydrophobicContact CD2-CB 3.9Å; F247-D286 WeakPolarHBondContact CD2-OD1 3.46Å; F247-D286 HydrophobicContact CE1-CB 3.98Å; F247-D286 HydrophobicContact CE2-CB 3.69Å; F247-D286 VanDerWaalsContact CE2-OD1 3.27Å; F247-D286 WeakPolarHBondContact CE2-OD1 3.32Å; F247-D286 HydrophobicContact CG-CB 4.16Å; F247-D286 HydrophobicContact CZ-CB 3.74Å; F247-T289 HydrophobicContact CB-CG2 3.84Å
248D94.2Very high94.5Very high19 Ų1947.1 Ų47.110%0.10221%0.213CC..Hα-helixtrans-63.4-50.5172.5-170.589000111F244 Y246 G251 Q252 T289 R293F244-D248 HydrophobicContact CE1-CB 4.48Å; F244-D248 HydrophobicContact CZ-CB 4.46Å; F244-D248 WeakPolarHBondContact O-CA 3.25Å; F244-D248 WeakPolarHBondContact O-CB 3.22Å; F244-D248 PolarHBondContact O-N 2.85Å; Y246-D248 VanDerWaalsContact C-N 3.27Å; Y246-D248 PolarHBondContact O-N 2.85Å; D248-G251 PolarHBondContact O-N 2.83Å; D248-Q252 WeakPolarHBondContact O-CG 3.44Å; D248-Q252 PolarHBondContact O-N 3.07Å; D248-Q252 PolarHBondContact OD2-NE2 2.78Å; D248-T289 HydrophobicContact CB-CG2 4.37Å; D248-R293 IonicContact OD1-CZ 2.68Å; D248-R293 IonicContact OD1-NE 2.89Å; D248-R293 PolarHBondContact OD1-NE 2.92Å; D248-R293 IonicContact OD1-NH2 2.84Å; D248-R293 PolarHBondContact OD1-NH2 3.44Å; D248-R293 IonicContact OD2-CZ 3.34Å; D248-R293 VanDerWaalsContact OD2-CZ 3.27Å; D248-R293 IonicContact OD2-NE 3.91Å; D248-R293 PolarHBondContact OD2-NE 3.49Å; D248-R293 VanDerWaalsContact OD2-NE 3.09Å; D248-R293 IonicContact OD2-NH2 3.82Å; D248-R293 PolarHBondContact OD2-NH2 3.42Å
249K95.3Very high94.7Very high131 Ų13143.8 Ų43.857%0.5720%0.201SC*.Hα-helixtrans-64.7-43.6176.7-173.8177.9-179.9-178.40112L245 Y246 G251 Q252 K253L245-K249 WeakPolarHBondContact O-CB 3.45Å; L245-K249 PolarHBondContact O-N 3.1Å; L245-K249 VanDerWaalsContact O-N 3.14Å; Y246-K249 PolarHBondContact O-N 3.23Å; K249-G251 VanDerWaalsContact C-N 3.35Å; K249-G251 PolarHBondContact O-N 3.36Å; K249-Q252 WeakPolarHBondContact O-CB 3.45Å; K249-Q252 PolarHBondContact O-N 2.87Å; K249-K253 PolarHBondContact O-N 3.04Å; K249-K253 VanDerWaalsContact O-N 3.13Å
250L96.3Very high94.9Very high6 Ų650.5 Ų50.53%0.03123%0.23CC..Hα-helixtrans-60.4-45.7175.6179.160.2000110.9I138 V201 I213 Y246 F247 Q252 K253 M254 L290I138-L250 HydrophobicContact CD1-CD1 4.23Å; I138-L250 HydrophobicContact CD1-CD2 4.28Å; V201-L250 HydrophobicContact CG1-CD1 4.07Å; V201-L250 HydrophobicContact CG2-CD1 4.05Å; I213-L250 HydrophobicContact CD1-CD2 3.73Å; Y246-L250 HydrophobicContact CE1-CB 4.42Å; Y246-L250 HydrophobicContact CE1-CD2 3.92Å; Y246-L250 WeakPolarHBondContact O-CB 3.2Å; Y246-L250 PolarHBondContact O-N 3.4Å; F247-L250 HydrophobicContact CD1-CD2 4.43Å; L250-Q252 VanDerWaalsContact C-N 3.28Å; L250-Q252 PolarHBondContact O-N 3.21Å; L250-K253 PolarHBondContact O-N 3.08Å; L250-K253 VanDerWaalsContact O-N 3.14Å; L250-M254 HydrophobicContact CD1-CG 4.08Å; L250-M254 HydrophobicContact CD1-SD 4.22Å; L250-M254 HydrophobicContact CD2-SD 4.42Å; L250-M254 HydrophobicContact CG-CG 4.24Å; L250-M254 HydrophobicContact CG-SD 3.94Å; L250-M254 VanDerWaalsContact O-CG 3.31Å; L250-M254 WeakPolarHBondContact O-CG 3.05Å; L250-M254 PolarHBondContact O-N 3.36Å; L250-L290 HydrophobicContact CG-CD1 4.29Å
251G96.9Very high95Very high0 Ų054.3 Ų54.30%026%0.257CS..Hα-helixtrans-61-34.7177.100000113.6F247 D248 K249 K255 L290F247-G251 PolarHBondContact O-N 3.31Å; D248-G251 PolarHBondContact O-N 2.83Å; K249-G251 VanDerWaalsContact C-N 3.35Å; K249-G251 PolarHBondContact O-N 3.36Å; G251-K255 WeakPolarHBondContact O-CB 3.48Å; G251-K255 PolarHBondContact O-N 2.79Å; G251-L290 VanDerWaalsContact CA-CD1 3.45Å
252Q96.2Very high95.2Very high79 Ų7952.5 Ų52.537%0.36925%0.248SC..Hα-helixtrans-63.8-48.4172.3-68.2172.731.400111.6D248 K249 L250 K255 Q256D248-Q252 WeakPolarHBondContact O-CG 3.44Å; D248-Q252 PolarHBondContact O-N 3.07Å; D248-Q252 PolarHBondContact OD2-NE2 2.78Å; K249-Q252 WeakPolarHBondContact O-CB 3.45Å; K249-Q252 PolarHBondContact O-N 2.87Å; L250-Q252 VanDerWaalsContact C-N 3.28Å; L250-Q252 PolarHBondContact O-N 3.21Å; Q252-K255 PolarHBondContact O-N 2.93Å; Q252-Q256 WeakPolarHBondContact O-CG 3.47Å; Q252-Q256 PolarHBondContact O-N 3.3Å
253K96.5Very high95.3Very high41 Ų4152 Ų5218%0.17825%0.245CC..Hα-helixtrans-59.9-48.3176.1-70-174.2169.4-171.30111.6D200 V201 D202 L205 K249 L250 K255 Q256 K257D200-K253 IonicContact OD1-NZ 3.79Å; D200-K253 PolarHBondContact OD1-NZ 3.14Å; V201-K253 HydrophobicContact CG1-CD 3.79Å; D202-K253 HydrophobicContact CB-CD 4.14Å; L205-K253 HydrophobicContact CD1-CB 3.83Å; K249-K253 PolarHBondContact O-N 3.04Å; K249-K253 VanDerWaalsContact O-N 3.13Å; L250-K253 PolarHBondContact O-N 3.08Å; L250-K253 VanDerWaalsContact O-N 3.14Å; K253-K255 VanDerWaalsContact C-N 3.33Å; K253-K255 PolarHBondContact O-N 2.96Å; K253-Q256 PolarHBondContact O-N 3.19Å; K253-Q256 VanDerWaalsContact O-N 3.1Å; K253-K257 PolarHBondContact O-N 3.46Å
254M97.4Very high95.5Very high0 Ų051.9 Ų51.90%025%0.245CC..Hα-helixtrans-61.2-39.6179.1-68.4-175.980.400112.4L205 V211 L250 Q256 C258 V264 L290 T294 I298L205-M254 HydrophobicContact CD1-CG 4.05Å; L205-M254 HydrophobicContact CD2-CG 4.06Å; V211-M254 HydrophobicContact CB-CE 4.47Å; V211-M254 HydrophobicContact CG1-CE 4.48Å; V211-M254 HydrophobicContact CG2-CE 4.25Å; L250-M254 HydrophobicContact CD1-CG 4.08Å; L250-M254 HydrophobicContact CD1-SD 4.22Å; L250-M254 HydrophobicContact CD2-SD 4.42Å; L250-M254 HydrophobicContact CG-CG 4.24Å; L250-M254 HydrophobicContact CG-SD 3.94Å; L250-M254 VanDerWaalsContact O-CG 3.31Å; L250-M254 WeakPolarHBondContact O-CG 3.05Å; L250-M254 PolarHBondContact O-N 3.36Å; M254-Q256 VanDerWaalsContact C-N 3.27Å; M254-Q256 PolarHBondContact O-N 3.39Å; M254-C258 VanDerWaalsContact O-CB 3.25Å; M254-C258 WeakPolarHBondContact O-CB 3.04Å; M254-C258 PolarHBondContact O-N 3.39Å; M254-V264 HydrophobicContact CE-CG1 4.28Å; M254-V264 HydrophobicContact CE-CG2 3.49Å; M254-V264 VanDerWaalsContact CE-CG2 3.49Å; M254-L290 HydrophobicContact SD-CD1 3.83Å; M254-L290 HydrophobicContact SD-CD2 4.12Å; M254-L290 HydrophobicContact SD-CG 4.43Å; M254-T294 HydrophobicContact CB-CG2 4.09Å; M254-I298 HydrophobicContact CB-CD1 4.16Å; M254-I298 HydrophobicContact CE-CD1 4.33Å
255K96.7Very high95.7Very high92 Ų9249.7 Ų49.740%0.424%0.236SC..Hα-helixtrans-59.9-39.2175.4-175.4179.6-170.2147.50112.1G251 Q252 K253 R293 K295 K297G251-K255 WeakPolarHBondContact O-CB 3.48Å; G251-K255 PolarHBondContact O-N 2.79Å; Q252-K255 PolarHBondContact O-N 2.93Å; K253-K255 VanDerWaalsContact C-N 3.33Å; K253-K255 PolarHBondContact O-N 2.96Å; K255-R293 WeakPolarHBondContact CD-O 3.46Å; K255-K295 PolarHBondContact NZ-O 2.93Å; K255-K297 HydrophobicContact CG-CB 3.85Å; K255-K297 HydrophobicContact CG-CG 4.45Å; K255-K297 WeakPolarHBondContact O-CD 3.24Å; K255-K297 VanDerWaalsContact O-CG 3.31Å; K255-K297 WeakPolarHBondContact O-CG 3.24Å
256Q96Very high95.8Very high142 Ų14245.7 Ų45.766%0.66422%0.215SC*.Hα-helixtrans-74.7-48.8-178.3-68.2172.84.900111.2Q252 K253 M254Q252-Q256 WeakPolarHBondContact O-CG 3.47Å; Q252-Q256 PolarHBondContact O-N 3.3Å; K253-Q256 PolarHBondContact O-N 3.19Å; K253-Q256 VanDerWaalsContact O-N 3.1Å; M254-Q256 VanDerWaalsContact C-N 3.27Å; M254-Q256 PolarHBondContact O-N 3.39Å
257K95.7Very high95.7Very high65 Ų6543 Ų4328%0.28321%0.206SC..Hα-helixtrans-100-38.2-166-64.5-160.4175.6-172.50115.5D202 L205 K253D202-K257 VanDerWaalsContact O-CD 3.28Å; D202-K257 WeakPolarHBondContact O-CD 3.46Å; D202-K257 PolarHBondContact O-NZ 3.08Å; D202-K257 WeakPolarHBondContact OD1-CD 3.49Å; D202-K257 WeakPolarHBondContact OD1-CE 3.42Å; D202-K257 IonicContact OD1-NZ 3.85Å; D202-K257 PolarHBondContact OD1-NZ 2.77Å; D202-K257 VanDerWaalsContact OD1-NZ 3.14Å; D202-K257 WeakPolarHBondContact OD2-CE 3.39Å; D202-K257 IonicContact OD2-NZ 2.75Å; D202-K257 PolarHBondContact OD2-NZ 2.89Å; L205-K257 HydrophobicContact CB-CB 3.92Å; K253-K257 PolarHBondContact O-N 3.46Å
258C96.9Very high95.1Very high0 Ų043 Ų430%021%0.207CC..SBendtrans-66147.6-171.6-67.90000112.1L205 M254 V262 K297 I298L205-C258 WeakPolarHBondContact O-CA 3.5Å; M254-C258 VanDerWaalsContact O-CB 3.25Å; M254-C258 WeakPolarHBondContact O-CB 3.04Å; M254-C258 PolarHBondContact O-N 3.39Å; C258-V262 HydrophobicContact CB-CB 4.22Å; C258-V262 HydrophobicContact CB-CG1 3.74Å; C258-K297 WeakPolarHBondContact O-CE 3.41Å; C258-K297 PolarHBondContact O-NZ 3.03Å; C258-I298 HydrophobicContact CB-CD1 4.19Å
259P94.5Very high93.9Very high38 Ų3843.2 Ų43.225%0.24721%0.207CC..  trans-65154167.828.9-33.4000110A208 S261 V262A208-P259 WeakPolarHBondContact O-CD 3.3Å; A208-P259 WeakPolarHBondContact O-CG 3.49Å; P259-S261 PolarHBondContact O-N 3.08Å; P259-S261 VanDerWaalsContact O-N 3.14Å; P259-V262 HydrophobicContact CG-CB 4.23Å; P259-V262 WeakPolarHBondContact O-CG1 3.03Å; P259-V262 PolarHBondContact O-N 2.78Å
260K95Very high92.2Very high141 Ų14137.2 Ų37.261%0.61318%0.181SC*.THydrogen-bonded Turntrans-62.8-20.8178.1-66.4-170.9178.1177.10112.8K297 P299 Q302K260-K297 HydrophobicContact CG-CD 4.28Å; K260-K297 WeakPolarHBondContact CG-O 3.45Å; K260-P299 VanDerWaalsContact O-CD 3.3Å; K260-P299 WeakPolarHBondContact O-CD 3.19Å; K260-Q302 PolarHBondContact O-NE2 3.43Å; K260-Q302 PolarHBondContact O-OE1 3.33Å
261S92Very high90.2Very high80 Ų8038.5 Ų38.556%0.55919%0.193SC*.THydrogen-bonded Turntrans-88.4-3.3-179.151.10000114.7P259 R263 Q302P259-S261 PolarHBondContact O-N 3.08Å; P259-S261 VanDerWaalsContact O-N 3.14Å; S261-R263 PolarHBondContact O-N 3.24Å; S261-Q302 VanDerWaalsContact C-NE2 3.28Å
262V95.9Very high88Confident0 Ų038.6 Ų38.60%019%0.194CC..  trans-58.2132.7-178.569.30000111.1A208 K209 V211 C258 P259 V264 I298 Q302A208-V262 HydrophobicContact CB-CG2 3.84Å; A208-V262 WeakPolarHBondContact O-CG2 3.25Å; K209-V262 WeakPolarHBondContact O-CA 3.45Å; V211-V262 HydrophobicContact CG2-CG2 3.74Å; C258-V262 HydrophobicContact CB-CB 4.22Å; C258-V262 HydrophobicContact CB-CG1 3.74Å; P259-V262 HydrophobicContact CG-CB 4.23Å; P259-V262 WeakPolarHBondContact O-CG1 3.03Å; P259-V262 PolarHBondContact O-N 2.78Å; V262-V264 HydrophobicContact CG1-CG2 4.39Å; V262-V264 HydrophobicContact CG2-CG2 4.42Å; V262-I298 HydrophobicContact CG1-CD1 3.62Å; V262-I298 HydrophobicContact CG1-CG1 4.02Å; V262-I298 HydrophobicContact CG1-CG2 4.16Å; V262-Q302 WeakPolarHBondContact O-CB 3.37Å; V262-Q302 PolarHBondContact O-NE2 2.88Å
263R95.9Very high85.8Confident55 Ų5535.1 Ų35.121%0.20818%0.178CC..EExtended strand (participates in β ladder)trans-107.1140.3170.7-48.4177.4168.2-160.6-5.1110.4K209 Q210 V211 S261 Q302 W417 G456 W458K209-R263 PolarHBondContact O-N 3.38Å; Q210-R263 CarbonylContact C-O 3.56Å; Q210-R263 WeakPolarHBondContact CA-O 3.32Å; V211-R263 PolarHBondContact N-O 3.48Å; S261-R263 PolarHBondContact O-N 3.24Å; R263-Q302 WeakPolarHBondContact CA-O 3.32Å; R263-Q302 HydrophobicContact CG-CG 4.31Å; R263-W417 HydrophobicContact CB-CH2 4.43Å; R263-W417 HydrophobicContact CB-CZ2 3.35Å; R263-W417 HydrophobicContact CG-CZ2 4.31Å; R263-G456 PolarHBondContact NH1-O 3.11Å; R263-G456 PolarHBondContact NH2-O 3.19Å; R263-W458 VanDerWaalsContact NH1-CZ3 3.34Å
264V97.7Very high83.4Confident0 Ų034.1 Ų34.10%018%0.175CC..EExtended strand (participates in β ladder)trans-126.7121.3-169.4-168.90000109.1V211 I213 M254 V262 L266 L290 Q302 I303 V304V211-V264 HydrophobicContact CB-CG1 4.23Å; V211-V264 HydrophobicContact CB-CG2 4.35Å; V211-V264 HydrophobicContact CG1-CG1 4.38Å; V211-V264 CarbonylContact O-C 3.55Å; V211-V264 VanDerWaalsContact O-CA 3.25Å; V211-V264 WeakPolarHBondContact O-CA 3.42Å; I213-V264 HydrophobicContact CD1-CG1 3.88Å; I213-V264 HydrophobicContact CG1-CG1 4.28Å; M254-V264 HydrophobicContact CE-CG1 4.28Å; M254-V264 HydrophobicContact CE-CG2 3.49Å; M254-V264 VanDerWaalsContact CE-CG2 3.49Å; V262-V264 HydrophobicContact CG1-CG2 4.39Å; V262-V264 HydrophobicContact CG2-CG2 4.42Å; V264-L266 HydrophobicContact CG1-CD1 3.95Å; V264-L290 HydrophobicContact CG1-CD2 4.06Å; V264-Q302 PolarHBondContact N-O 2.6Å; V264-I303 HydrophobicContact CB-CG1 4.22Å; V264-I303 HydrophobicContact CB-CG2 4.42Å; V264-I303 HydrophobicContact CG2-CG1 4.16Å; V264-V304 PolarHBondContact O-N 3.38Å
265L97.3Very high81.2Confident1 Ų135.2 Ų35.21%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-108.4116.3172.1178.365000109.2V211 I212 I213 A267 V304 L306 L413 W417V211-L265 PolarHBondContact O-N 2.97Å; I212-L265 WeakPolarHBondContact CA-O 3.48Å; I213-L265 PolarHBondContact N-O 2.9Å; L265-A267 PolarHBondContact O-N 2.86Å; L265-V304 WeakPolarHBondContact CA-O 3.36Å; L265-V304 HydrophobicContact CD1-CG2 4.02Å; L265-L306 HydrophobicContact CD1-CB 4.15Å; L265-L306 HydrophobicContact CD1-CD1 4.45Å; L265-L413 HydrophobicContact CD2-CD1 4.49Å; L265-L413 HydrophobicContact CD2-CD2 3.82Å; L265-L413 HydrophobicContact CD2-CG 4.02Å; L265-W417 HydrophobicContact CB-CH2 4.46Å
266L96.1Very high79.4Confident4 Ų436.2 Ų36.22%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-8898.2167.9-72.485.4000108.5I213 F247 V264 T283 D286 V287 L290 I303 V304 G305 L306I213-L266 HydrophobicContact CB-CG 4.44Å; I213-L266 HydrophobicContact CD1-CG 4.28Å; F247-L266 HydrophobicContact CD1-CD2 4.28Å; F247-L266 HydrophobicContact CE1-CD2 3.6Å; F247-L266 HydrophobicContact CE1-CG 4.5Å; F247-L266 HydrophobicContact CZ-CD2 4.1Å; V264-L266 HydrophobicContact CG1-CD1 3.95Å; L266-T283 HydrophobicContact CB-CG2 4.3Å; L266-D286 HydrophobicContact CD2-CB 3.38Å; L266-V287 HydrophobicContact CB-CG2 4.36Å; L266-V287 HydrophobicContact CD1-CG2 4.07Å; L266-V287 HydrophobicContact CD2-CG2 4.18Å; L266-V287 HydrophobicContact CG-CG2 4.43Å; L266-L290 HydrophobicContact CD1-CD2 4.09Å; L266-I303 HydrophobicContact CD1-CG2 3.74Å; L266-V304 PolarHBondContact N-O 2.55Å; L266-G305 WeakPolarHBondContact O-CA 3.1Å; L266-L306 PolarHBondContact O-N 2.98Å
267A92.5Very high77.6Confident7 Ų730.3 Ų30.36%0.05816%0.157CC..EExtended strand (participates in β ladder)trans-79.1-32.8-178.900000112.8I213 L214 L265 L306 M409I213-A267 PolarHBondContact O-N 2.93Å; L214-A267 HydrophobicContact CD2-CB 3.95Å; L265-A267 PolarHBondContact O-N 2.86Å; A267-L306 HydrophobicContact CB-CD2 4.06Å; A267-M409 HydrophobicContact CB-CG 4.06Å; A267-M409 HydrophobicContact CB-SD 3.53Å; A267-M409 VanDerWaalsContact CB-SD 3.53Å
268G82Confident76.2Confident3 Ų331.8 Ų31.83%0.03117%0.165CC..EExtended strand (participates in β ladder)trans70-157.5178.400000114.5I213 D215I213-G268 PolarHBondContact O-N 2.8Å; D215-G268 PolarHBondContact N-O 2.87Å
269N70.1Confident74.9Confident22 Ų2232.6 Ų32.612%0.11817%0.169CC..  trans-86116.1-167.3-170.1-5.1000113.8D215 A271 A272 T281 Y405D215-N269 HydrophobicContact CB-CB 3.77Å; D215-N269 VanDerWaalsContact OD2-CB 3.25Å; D215-N269 WeakPolarHBondContact OD2-CB 3.49Å; D215-N269 PolarHBondContact OD2-ND2 3Å; D215-N269 VanDerWaalsContact OD2-ND2 3.12Å; N269-A271 WeakPolarHBondContact OD1-CA 3.4Å; N269-A271 VanDerWaalsContact OD1-CB 3.29Å; N269-A271 WeakPolarHBondContact OD1-CB 3.15Å; N269-A271 PolarHBondContact OD1-N 3.41Å; N269-A272 PolarHBondContact OD1-N 2.92Å; N269-T281 WeakPolarHBondContact CA-OG1 3.2Å; N269-T281 WeakPolarHBondContact CB-OG1 3.46Å; N269-T281 PolarHBondContact N-OG1 2.82Å; N269-Y405 WeakPolarHBondContact O-CE1 3.46Å; N269-Y405 VanDerWaalsContact O-CZ 3.3Å; N269-Y405 PolarHBondContact O-OH 3.23Å; N269-Y405 VanDerWaalsContact O-OH 3.14Å
270I59Low73.8Confident5 Ų532.1 Ų32.13%0.02617%0.166CC..SBendtrans-75.1-35.7174-57.5176.7000111.7F143 I145 A272 I401 Y405 M409F143-I270 HydrophobicContact CB-CD1 4.33Å; F143-I270 HydrophobicContact CD1-CB 4.01Å; F143-I270 HydrophobicContact CD1-CD1 3.53Å; F143-I270 HydrophobicContact CD1-CG1 4.34Å; F143-I270 HydrophobicContact CD1-CG2 3.68Å; F143-I270 HydrophobicContact CD2-CB 4.44Å; F143-I270 HydrophobicContact CD2-CG2 4.32Å; F143-I270 HydrophobicContact CE1-CB 4.29Å; F143-I270 HydrophobicContact CE1-CD1 4.23Å; F143-I270 HydrophobicContact CE1-CG2 3.45Å; F143-I270 VanDerWaalsContact CE1-CG2 3.45Å; F143-I270 HydrophobicContact CE2-CG2 4.06Å; F143-I270 HydrophobicContact CG-CB 4.14Å; F143-I270 HydrophobicContact CG-CD1 4.12Å; F143-I270 HydrophobicContact CG-CG2 4.16Å; F143-I270 HydrophobicContact CZ-CG2 3.65Å; I145-I270 HydrophobicContact CG2-CD1 4.45Å; I270-A272 PolarHBondContact O-N 3.46Å; I270-I401 WeakPolarHBondContact O-CG2 3.5Å; I270-Y405 HydrophobicContact CB-CD1 4.22Å; I270-Y405 HydrophobicContact CB-CD2 4.29Å; I270-Y405 HydrophobicContact CB-CG 3.99Å; I270-Y405 HydrophobicContact CG1-CD1 3.8Å; I270-Y405 HydrophobicContact CG1-CG 3.83Å; I270-Y405 HydrophobicContact CG2-CD1 4.49Å; I270-Y405 HydrophobicContact CG2-CD2 3.81Å; I270-Y405 HydrophobicContact CG2-CG 3.76Å; I270-Y405 WeakPolarHBondContact O-CE2 3.28Å; I270-M409 HydrophobicContact CD1-CE 4.2Å
271A54.3Low73Confident34 Ų3425.7 Ų25.728%0.28114%0.138SC..SBendtrans-74.3-22.5-171.100000114.4N269 D273N269-A271 WeakPolarHBondContact OD1-CA 3.4Å; N269-A271 VanDerWaalsContact OD1-CB 3.29Å; N269-A271 WeakPolarHBondContact OD1-CB 3.15Å; N269-A271 PolarHBondContact OD1-N 3.41Å; A271-D273 PolarHBondContact O-N 2.98Å; A271-D273 VanDerWaalsContact O-N 3.07Å
272A50.2Low72.9Confident1 Ų121.9 Ų21.91%0.00811%0.112CC..  trans-84.977.8179.100000111.5F224 N269 I270 T274 T280F224-A272 HydrophobicContact CZ-CB 4.48Å; N269-A272 PolarHBondContact OD1-N 2.92Å; I270-A272 PolarHBondContact O-N 3.46Å; A272-T274 PolarHBondContact O-N 3.32Å; A272-T280 HydrophobicContact CB-CG2 4.41Å
273D49.5Very low72.7Confident6 Ų622.2 Ų22.23%0.03211%0.114CC..  trans-79.518.1165.3-160.411000113A271 R313 S394 R396 I401A271-D273 PolarHBondContact O-N 2.98Å; A271-D273 VanDerWaalsContact O-N 3.07Å; D273-R313 VanDerWaalsContact CG-NH2 3.33Å; D273-R313 IonicContact OD1-CZ 2.76Å; D273-R313 IonicContact OD1-NE 3.5Å; D273-R313 IonicContact OD1-NH1 2.65Å; D273-R313 PolarHBondContact OD1-NH1 3.06Å; D273-R313 VanDerWaalsContact OD1-NH1 3.11Å; D273-R313 IonicContact OD1-NH2 3.78Å; D273-R313 PolarHBondContact OD1-NH2 3.13Å; D273-R313 IonicContact OD2-NH2 3.3Å; D273-S394 VanDerWaalsContact O-CB 3.24Å; D273-S394 WeakPolarHBondContact O-CB 3.48Å; D273-S394 WeakPolarHBondContact OD2-CB 3.3Å; D273-S394 PolarHBondContact OD2-OG 3.26Å; D273-R396 IonicContact OD1-NH1 2.81Å; D273-R396 IonicContact OD2-CZ 2.67Å; D273-R396 IonicContact OD2-NH1 3.75Å; D273-R396 PolarHBondContact OD2-NH1 3.03Å; D273-I401 HydrophobicContact CB-CD1 3.25Å; D273-I401 HydrophobicContact CB-CG1 3.82Å; D273-I401 HydrophobicContact CB-CG2 4.14Å; D273-I401 WeakPolarHBondContact OD2-CD1 3.33Å; D273-I401 WeakPolarHBondContact OD2-CG1 3.18Å
274T47.6Very low72.5Confident20 Ų2019.7 Ų19.712%0.12310%0.104CC..  trans-88.8113166.644.80000108.8F224 A272 F276 T280F224-T274 HydrophobicContact CE1-CG2 3.89Å; A272-T274 PolarHBondContact O-N 3.32Å; T274-F276 HydrophobicContact CG2-CD2 4.2Å; T274-F276 CarbonylContact O-C 3.51Å; T274-F276 PolarHBondContact O-N 3.25Å; T274-T280 WeakPolarHBondContact O-CG2 3.47Å
275F50.1Low72.2Confident24 Ų2420.3 Ų20.311%0.10511%0.107CC..  trans-67.210.9169.2-97.5-86.8000114M277 L310 L389 R390F275-M277 PolarHBondContact O-N 2.91Å; F275-L310 HydrophobicContact CE1-CD1 3.25Å; F275-L310 HydrophobicContact CZ-CD1 3.33Å; F275-L389 VanDerWaalsContact CD2-O 3.27Å; F275-L389 WeakPolarHBondContact CD2-O 3.27Å; F275-L389 HydrophobicContact CZ-CB 4.34Å; F275-R390 HydrophobicContact CB-CB 4.3Å; F275-R390 HydrophobicContact CB-CG 4.25Å; F275-R390 HydrophobicContact CD1-CG 4.11Å
276F59.7Low72.1Confident112 Ų11220.4 Ų20.449%0.49111%0.107SC..  trans-60.989.7151.1-63.3-65.6000107T274 E278 M279T274-F276 HydrophobicContact CG2-CD2 4.2Å; T274-F276 CarbonylContact O-C 3.51Å; T274-F276 PolarHBondContact O-N 3.25Å; F276-E278 PolarHBondContact O-N 3.39Å; F276-M279 HydrophobicContact CB-CB 4.45Å; F276-M279 HydrophobicContact CB-CG 4.05Å; F276-M279 WeakPolarHBondContact O-CB 3.48Å; F276-M279 PolarHBondContact O-N 3.13Å
277M58.8Low72Confident19 Ų1920.2 Ų20.29%0.09411%0.106CC..THydrogen-bonded Turntrans-52-25.9-178.8-69.9-177.866.300112.1F275 M279 T280 G339 S340 V342F275-M277 PolarHBondContact O-N 2.91Å; M277-M279 PolarHBondContact O-N 2.71Å; M277-T280 PolarHBondContact O-N 3.43Å; M277-T280 PolarHBondContact O-OG1 2.87Å; M277-G339 CarbonylContact O-C 3.58Å; M277-G339 VanDerWaalsContact O-C 3.32Å; M277-G339 VanDerWaalsContact O-CA 3.25Å; M277-G339 WeakPolarHBondContact O-CA 2.95Å; M277-G339 VanDerWaalsContact O-O 3.1Å; M277-S340 WeakPolarHBondContact CE-O 3.33Å; M277-S340 VanDerWaalsContact SD-O 3.35Å; M277-V342 HydrophobicContact CE-CB 3.82Å; M277-V342 HydrophobicContact CE-CG1 3.43Å; M277-V342 VanDerWaalsContact CE-CG1 3.43Å; M277-V342 HydrophobicContact CE-CG2 3.48Å; M277-V342 VanDerWaalsContact CE-CG2 3.48Å; M277-V342 HydrophobicContact SD-CB 4.35Å; M277-V342 HydrophobicContact SD-CG2 3.45Å; M277-V342 WeakPolarHBondContact SD-CG2 3.35Å
278E64.7Low72.1Confident96 Ų9620.6 Ų20.645%0.44911%0.108SC..THydrogen-bonded Turntrans-65.5-16174.2-61-169.5162.800115.1R219 Q230 F276R219-E278 PolarHBondContact NH1-O 3.01Å; Q230-E278 PolarHBondContact NE2-OE2 3.43Å; F276-E278 PolarHBondContact O-N 3.39Å
279M69.6Low72.7Confident16 Ų1620.9 Ų20.98%0.07911%0.109CC..THydrogen-bonded Turntrans-100.7-21.1176.2-62.3-60.9159.600112.9R219 Q230 W233 F276 M277R219-M279 PolarHBondContact NH1-SD 2.96Å; Q230-M279 HydrophobicContact CG-CE 3.69Å; W233-M279 HydrophobicContact CB-CE 4.21Å; W233-M279 HydrophobicContact CD2-SD 4.06Å; W233-M279 HydrophobicContact CE3-SD 4.31Å; W233-M279 HydrophobicContact CG-CE 4.11Å; W233-M279 HydrophobicContact CG-SD 4.14Å; F276-M279 HydrophobicContact CB-CB 4.45Å; F276-M279 HydrophobicContact CB-CG 4.05Å; F276-M279 WeakPolarHBondContact O-CB 3.48Å; F276-M279 PolarHBondContact O-N 3.13Å; M277-M279 PolarHBondContact O-N 2.71Å
280T73Confident73.9Confident29 Ų2919.8 Ų19.818%0.17810%0.103CC..SBendtrans-73.2154.2176.663.70000111.7W239 A272 T274 M277W239-T280 VanDerWaalsContact CH2-O 3.27Å; W239-T280 WeakPolarHBondContact CH2-O 3.25Å; A272-T280 HydrophobicContact CB-CG2 4.41Å; T274-T280 WeakPolarHBondContact O-CG2 3.47Å; M277-T280 PolarHBondContact O-N 3.43Å; M277-T280 PolarHBondContact O-OG1 2.87Å
281T77.9Confident75.6Confident6 Ų620.3 Ų20.34%0.03711%0.105CC..  trans-51.5129.4174.8-70.90000111.1R243 N269 T283 D286R243-T281 VanDerWaalsContact NH2-CG2 3.33Å; N269-T281 WeakPolarHBondContact CA-OG1 3.2Å; N269-T281 WeakPolarHBondContact CB-OG1 3.46Å; N269-T281 PolarHBondContact N-OG1 2.82Å; T281-T283 PolarHBondContact O-N 2.94Å; T281-T283 PolarHBondContact O-OG1 3.26Å; T281-D286 WeakPolarHBondContact CG2-OD2 3.49Å
282P88.4Confident77.5Confident0 Ų026 Ų260%012%0.12CC..  trans-78.465.7176.936.2-38.6000109.6W239 L240 C284 F285 D286 L338W239-P282 VanDerWaalsContact CH2-CD 3.47Å; W239-P282 HydrophobicContact CH2-CG 4.4Å; L240-P282 HydrophobicContact CD2-CB 3.79Å; L240-P282 HydrophobicContact CD2-CG 3.49Å; L240-P282 VanDerWaalsContact CD2-CG 3.49Å; P282-C284 VanDerWaalsContact C-N 3.26Å; P282-C284 PolarHBondContact O-N 3.38Å; P282-C284 VanDerWaalsContact O-N 3.13Å; P282-F285 HydrophobicContact CB-CB 3.83Å; P282-F285 HydrophobicContact CG-CB 4.26Å; P282-F285 HydrophobicContact CG-CD1 4.44Å; P282-F285 WeakPolarHBondContact O-CA 3.26Å; P282-F285 WeakPolarHBondContact O-CB 3.49Å; P282-F285 PolarHBondContact O-N 2.81Å; P282-D286 PolarHBondContact O-N 3.44Å; P282-D286 VanDerWaalsContact O-N 3.13Å; P282-L338 CarbonylContact C-O 3.32Å; P282-L338 WeakPolarHBondContact CA-O 3.27Å
283T91.7Very high79.7Confident7 Ų730.8 Ų30.84%0.04314%0.138CC..Hα-helixtrans-53.9-41.5-170.3-53.50000112.3L266 T281 F285 D286 V287 G305 L338 V431L266-T283 HydrophobicContact CB-CG2 4.3Å; T281-T283 PolarHBondContact O-N 2.94Å; T281-T283 PolarHBondContact O-OG1 3.26Å; T283-F285 VanDerWaalsContact C-N 3.29Å; T283-F285 PolarHBondContact O-N 2.84Å; T283-D286 PolarHBondContact O-N 2.97Å; T283-V287 HydrophobicContact CG2-CG2 4.31Å; T283-V287 VanDerWaalsContact O-CG2 3.23Å; T283-V287 WeakPolarHBondContact O-CG2 3.35Å; T283-V287 PolarHBondContact O-N 2.93Å; T283-G305 VanDerWaalsContact CG2-CA 3.48Å; T283-L338 PolarHBondContact N-O 3.42Å; T283-V431 HydrophobicContact CG2-CG2 4.3Å
284C92.7Very high81.9Confident1 Ų130.5 Ų30.51%0.00714%0.136CC..Hα-helixtrans-62.1-36.6175.8-67.10000112.7P282 T288 N337 L338 V431 A445P282-C284 VanDerWaalsContact C-N 3.26Å; P282-C284 PolarHBondContact O-N 3.38Å; P282-C284 VanDerWaalsContact O-N 3.13Å; C284-T288 VanDerWaalsContact O-CB 3.31Å; C284-T288 WeakPolarHBondContact O-CB 3.45Å; C284-T288 PolarHBondContact O-N 2.7Å; C284-T288 PolarHBondContact O-OG1 2.87Å; C284-N337 WeakPolarHBondContact CB-OD1 3.4Å; C284-L338 PolarHBondContact SG-N 3.49Å; C284-V431 HydrophobicContact CB-CG1 4.27Å; C284-V431 VanDerWaalsContact SG-CG1 3.54Å; C284-A445 HydrophobicContact CB-CB 4.31Å; C284-A445 WeakPolarHBondContact CB-O 3.33Å; C284-A445 VanDerWaalsContact O-CB 3.28Å; C284-A445 WeakPolarHBondContact O-CB 3.49Å
285F91.9Very high84.2Confident14 Ų1435.7 Ų35.76%0.06116%0.157CC..Hα-helixtrans-64.7-44.6176178.4-102.1000111.7L240 R243 F244 P282 T283 T288 T289 M488L240-F285 HydrophobicContact CD2-CB 4.45Å; L240-F285 HydrophobicContact CD2-CD1 3.78Å; L240-F285 HydrophobicContact CD2-CE1 4.16Å; L240-F285 HydrophobicContact CD2-CG 3.99Å; L240-F285 WeakPolarHBondContact O-CE1 3.31Å; R243-F285 HydrophobicContact CB-CE1 4.28Å; F244-F285 HydrophobicContact CB-CE1 4.11Å; F244-F285 HydrophobicContact CB-CZ 3.88Å; F244-F285 HydrophobicContact CD2-CZ 4.12Å; F244-F285 HydrophobicContact CG-CZ 4.45Å; P282-F285 HydrophobicContact CB-CB 3.83Å; P282-F285 HydrophobicContact CG-CB 4.26Å; P282-F285 HydrophobicContact CG-CD1 4.44Å; P282-F285 WeakPolarHBondContact O-CA 3.26Å; P282-F285 WeakPolarHBondContact O-CB 3.49Å; P282-F285 PolarHBondContact O-N 2.81Å; T283-F285 VanDerWaalsContact C-N 3.29Å; T283-F285 PolarHBondContact O-N 2.84Å; F285-T288 PolarHBondContact O-N 2.94Å; F285-T289 WeakPolarHBondContact O-CB 3.26Å; F285-T289 PolarHBondContact O-N 3.31Å; F285-T289 PolarHBondContact O-OG1 3.44Å; F285-M488 HydrophobicContact CD2-CE 4.3Å; F285-M488 HydrophobicContact CD2-SD 4.18Å; F285-M488 HydrophobicContact CE1-SD 4.39Å; F285-M488 HydrophobicContact CE2-CE 3.78Å; F285-M488 HydrophobicContact CE2-CG 4.35Å; F285-M488 HydrophobicContact CE2-SD 3.15Å; F285-M488 WeakPolarHBondContact CE2-SD 3.37Å; F285-M488 HydrophobicContact CZ-CE 4.08Å; F285-M488 HydrophobicContact CZ-SD 3.28Å; F285-M488 WeakPolarHBondContact CZ-SD 3.23Å
286D93.6Very high86.3Confident2 Ų238.2 Ų38.21%0.01119%0.19CC..Hα-helixtrans-68.4-43.8-178.8-56.9-33.2000111.4R243 F247 L266 T281 P282 T283 T288 T289 L290R243-D286 IonicContact CZ-OD1 2.88Å; R243-D286 IonicContact CZ-OD2 2.61Å; R243-D286 VanDerWaalsContact CZ-OD2 3.3Å; R243-D286 IonicContact NE-OD1 3.47Å; R243-D286 PolarHBondContact NE-OD1 3.22Å; R243-D286 IonicContact NE-OD2 2.77Å; R243-D286 PolarHBondContact NE-OD2 3.21Å; R243-D286 VanDerWaalsContact NE-OD2 3.15Å; R243-D286 IonicContact NH2-OD1 3.38Å; R243-D286 IonicContact NH2-OD2 3.27Å; R243-D286 PolarHBondContact NH2-OD2 3.35Å; F247-D286 HydrophobicContact CD1-CB 4.2Å; F247-D286 HydrophobicContact CD2-CB 3.9Å; F247-D286 WeakPolarHBondContact CD2-OD1 3.46Å; F247-D286 HydrophobicContact CE1-CB 3.98Å; F247-D286 HydrophobicContact CE2-CB 3.69Å; F247-D286 VanDerWaalsContact CE2-OD1 3.27Å; F247-D286 WeakPolarHBondContact CE2-OD1 3.32Å; F247-D286 HydrophobicContact CG-CB 4.16Å; F247-D286 HydrophobicContact CZ-CB 3.74Å; L266-D286 HydrophobicContact CD2-CB 3.38Å; T281-D286 WeakPolarHBondContact CG2-OD2 3.49Å; P282-D286 PolarHBondContact O-N 3.44Å; P282-D286 VanDerWaalsContact O-N 3.13Å; T283-D286 PolarHBondContact O-N 2.97Å; D286-T288 VanDerWaalsContact C-N 3.33Å; D286-T288 PolarHBondContact O-N 2.85Å; D286-T289 PolarHBondContact O-N 3.11Å; D286-L290 WeakPolarHBondContact O-CB 3.28Å; D286-L290 PolarHBondContact O-N 2.89Å
287V95.4Very high88Confident0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-58.4-45.7174.1174.10000110.6L266 T283 T289 L290 H291 I303 V431 I433 A445L266-V287 HydrophobicContact CB-CG2 4.36Å; L266-V287 HydrophobicContact CD1-CG2 4.07Å; L266-V287 HydrophobicContact CD2-CG2 4.18Å; L266-V287 HydrophobicContact CG-CG2 4.43Å; T283-V287 HydrophobicContact CG2-CG2 4.31Å; T283-V287 VanDerWaalsContact O-CG2 3.23Å; T283-V287 WeakPolarHBondContact O-CG2 3.35Å; T283-V287 PolarHBondContact O-N 2.93Å; V287-T289 PolarHBondContact O-N 3.47Å; V287-L290 PolarHBondContact O-N 3.33Å; V287-H291 WeakPolarHBondContact O-CB 3.37Å; V287-H291 PolarHBondContact O-N 2.96Å; V287-I303 HydrophobicContact CG1-CG2 4.25Å; V287-V431 HydrophobicContact CB-CG1 4.09Å; V287-V431 HydrophobicContact CG1-CG1 4.32Å; V287-V431 HydrophobicContact CG2-CG1 3.77Å; V287-I433 HydrophobicContact CG1-CD1 4.03Å; V287-I433 HydrophobicContact CG1-CG1 4.08Å; V287-A445 HydrophobicContact CB-CB 3.71Å; V287-A445 HydrophobicContact CG1-CB 3.59Å
288T94.5Very high89.8Confident16 Ų1635 Ų3510%0.09818%0.176CC..Hα-helixtrans-59.1-48177.7-600000111.4C284 F285 D286 R292 A445 I485C284-T288 VanDerWaalsContact O-CB 3.31Å; C284-T288 WeakPolarHBondContact O-CB 3.45Å; C284-T288 PolarHBondContact O-N 2.7Å; C284-T288 PolarHBondContact O-OG1 2.87Å; F285-T288 PolarHBondContact O-N 2.94Å; D286-T288 VanDerWaalsContact C-N 3.33Å; D286-T288 PolarHBondContact O-N 2.85Å; T288-R292 WeakPolarHBondContact O-CB 3.2Å; T288-R292 PolarHBondContact O-N 3.36Å; T288-A445 VanDerWaalsContact OG1-CB 3.26Å; T288-A445 WeakPolarHBondContact OG1-CB 3.16Å; T288-A445 PolarHBondContact OG1-N 3.23Å; T288-I485 HydrophobicContact CG2-CD1 4.12Å
289T94.1Very high91.2Very high8 Ų833 Ų335%0.04917%0.171CC..Hα-helixtrans-63.7-48.7-178.4-58.40000111.1F244 F247 D248 F285 D286 V287 R292 R293F244-T289 HydrophobicContact CD2-CG2 3.65Å; F244-T289 HydrophobicContact CE2-CG2 3.88Å; F247-T289 HydrophobicContact CB-CG2 3.84Å; D248-T289 HydrophobicContact CB-CG2 4.37Å; F285-T289 WeakPolarHBondContact O-CB 3.26Å; F285-T289 PolarHBondContact O-N 3.31Å; F285-T289 PolarHBondContact O-OG1 3.44Å; D286-T289 PolarHBondContact O-N 3.11Å; V287-T289 PolarHBondContact O-N 3.47Å; T289-R292 PolarHBondContact O-N 2.91Å; T289-R293 PolarHBondContact O-N 2.94Å
290L95.7Very high92.4Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-65-42.8-179.2-168.568.7000111.8I213 L250 G251 M254 V264 L266 D286 V287 R293 T294 I303I213-L290 HydrophobicContact CD1-CD2 4.25Å; L250-L290 HydrophobicContact CG-CD1 4.29Å; G251-L290 VanDerWaalsContact CA-CD1 3.45Å; M254-L290 HydrophobicContact SD-CD1 3.83Å; M254-L290 HydrophobicContact SD-CD2 4.12Å; M254-L290 HydrophobicContact SD-CG 4.43Å; V264-L290 HydrophobicContact CG1-CD2 4.06Å; L266-L290 HydrophobicContact CD1-CD2 4.09Å; D286-L290 WeakPolarHBondContact O-CB 3.28Å; D286-L290 PolarHBondContact O-N 2.89Å; V287-L290 PolarHBondContact O-N 3.33Å; L290-R293 PolarHBondContact O-N 3.41Å; L290-T294 HydrophobicContact CD1-CG2 4.48Å; L290-T294 HydrophobicContact CG-CG2 4.45Å; L290-T294 WeakPolarHBondContact O-CB 3.3Å; L290-T294 VanDerWaalsContact O-CG2 3.3Å; L290-T294 WeakPolarHBondContact O-CG2 3.28Å; L290-T294 PolarHBondContact O-N 2.96Å; L290-T294 PolarHBondContact O-OG1 3.33Å; L290-I303 HydrophobicContact CD2-CD1 4.36Å; L290-I303 HydrophobicContact CD2-CG2 3.93Å; L290-I303 HydrophobicContact CG-CD1 4.32Å
291H95.3Very high93.3Very high15 Ų1534.5 Ų34.57%0.06919%0.185CC..Hα-helixtrans-61.2-46.8176.3176.163000112.1V287 R293 T294 K295 P300 I433V287-H291 WeakPolarHBondContact O-CB 3.37Å; V287-H291 PolarHBondContact O-N 2.96Å; H291-R293 PolarHBondContact O-N 3.04Å; H291-T294 WeakPolarHBondContact CA-OG1 3.21Å; H291-T294 PolarHBondContact O-N 2.88Å; H291-T294 VanDerWaalsContact O-N 3.17Å; H291-T294 PolarHBondContact O-OG1 2.87Å; H291-K295 PolarHBondContact O-N 3.07Å; H291-P300 WeakPolarHBondContact CE1-CB 3.4Å; H291-P300 VanDerWaalsContact CE1-CG 3.48Å; H291-P300 WeakPolarHBondContact CE1-CG 3.48Å; H291-I433 HydrophobicContact CB-CD1 3.45Å; H291-I433 VanDerWaalsContact CB-CD1 3.45Å; H291-I433 HydrophobicContact CB-CG1 3.59Å; H291-I433 VanDerWaalsContact CG-CG1 3.44Å
292R94.1Very high94.1Very high153 Ų15336 Ų3658%0.57719%0.192SC*.Hα-helixtrans-56.1-40.7179.9-177.1177.1-178.5167.71.1111.4T288 T289 T489T288-R292 WeakPolarHBondContact O-CB 3.2Å; T288-R292 PolarHBondContact O-N 3.36Å; T289-R292 PolarHBondContact O-N 2.91Å; R292-T489 PolarHBondContact NH1-OG1 3.35Å
293R94.8Very high94.6Very high103 Ų10336 Ų3639%0.38919%0.192SC..Hα-helixtrans-73.4-41.6177.4-77.9-59.4-164.6-174.20.8113.1D248 K255 T289 L290 H291 K295D248-R293 IonicContact OD1-CZ 2.68Å; D248-R293 IonicContact OD1-NE 2.89Å; D248-R293 PolarHBondContact OD1-NE 2.92Å; D248-R293 IonicContact OD1-NH2 2.84Å; D248-R293 PolarHBondContact OD1-NH2 3.44Å; D248-R293 IonicContact OD2-CZ 3.34Å; D248-R293 VanDerWaalsContact OD2-CZ 3.27Å; D248-R293 IonicContact OD2-NE 3.91Å; D248-R293 PolarHBondContact OD2-NE 3.49Å; D248-R293 VanDerWaalsContact OD2-NE 3.09Å; D248-R293 IonicContact OD2-NH2 3.82Å; D248-R293 PolarHBondContact OD2-NH2 3.42Å; K255-R293 WeakPolarHBondContact CD-O 3.46Å; T289-R293 PolarHBondContact O-N 2.94Å; L290-R293 PolarHBondContact O-N 3.41Å; H291-R293 PolarHBondContact O-N 3.04Å; R293-K295 VanDerWaalsContact C-N 3.3Å; R293-K295 PolarHBondContact O-N 3.4Å
294T96.8Very high94.8Very high0 Ų035.6 Ų35.60%019%0.19CC..Hα-helixtrans-82.4-5.1-176.358.50000114.1M254 L290 H291 G296 K297 I298 I303M254-T294 HydrophobicContact CB-CG2 4.09Å; L290-T294 HydrophobicContact CD1-CG2 4.48Å; L290-T294 HydrophobicContact CG-CG2 4.45Å; L290-T294 WeakPolarHBondContact O-CB 3.3Å; L290-T294 VanDerWaalsContact O-CG2 3.3Å; L290-T294 WeakPolarHBondContact O-CG2 3.28Å; L290-T294 PolarHBondContact O-N 2.96Å; L290-T294 PolarHBondContact O-OG1 3.33Å; H291-T294 WeakPolarHBondContact CA-OG1 3.21Å; H291-T294 PolarHBondContact O-N 2.88Å; H291-T294 VanDerWaalsContact O-N 3.17Å; H291-T294 PolarHBondContact O-OG1 2.87Å; T294-G296 PolarHBondContact O-N 3.48Å; T294-K297 PolarHBondContact O-N 3.05Å; T294-I298 HydrophobicContact CG2-CD1 3.88Å; T294-I298 PolarHBondContact O-N 3.38Å; T294-I298 VanDerWaalsContact O-N 3.13Å; T294-I303 HydrophobicContact CG2-CD1 4.46Å; T294-I303 VanDerWaalsContact OG1-CD1 3.22Å; T294-I303 WeakPolarHBondContact OG1-CD1 3.26Å
295K94.6Very high94.9Very high128 Ų12835.6 Ų35.656%0.55719%0.189SC*.THydrogen-bonded Turntrans-47.8131.7175.6-170.3171.1-176.4168.80111.6K255 H291 R293 K297K255-K295 PolarHBondContact NZ-O 2.93Å; H291-K295 PolarHBondContact O-N 3.07Å; R293-K295 VanDerWaalsContact C-N 3.3Å; R293-K295 PolarHBondContact O-N 3.4Å; K295-K297 VanDerWaalsContact C-N 3.34Å
296G94.6Very high95.1Very high78 Ų7835.2 Ų35.280%0.80419%0.188SC*.THydrogen-bonded Turntrans87.9-10.8-17600000115T294T294-G296 PolarHBondContact O-N 3.48Å
297K96.1Very high95Very high61 Ų6135.2 Ų35.227%0.26519%0.188SC..THydrogen-bonded Turntrans-115.4-59.6175.117980.1178.1-157.80111.9K255 C258 K260 T294 K295K255-K297 HydrophobicContact CG-CB 3.85Å; K255-K297 HydrophobicContact CG-CG 4.45Å; K255-K297 WeakPolarHBondContact O-CD 3.24Å; K255-K297 VanDerWaalsContact O-CG 3.31Å; K255-K297 WeakPolarHBondContact O-CG 3.24Å; C258-K297 WeakPolarHBondContact O-CE 3.41Å; C258-K297 PolarHBondContact O-NZ 3.03Å; K260-K297 HydrophobicContact CG-CD 4.28Å; K260-K297 WeakPolarHBondContact CG-O 3.45Å; T294-K297 PolarHBondContact O-N 3.05Å; K295-K297 VanDerWaalsContact C-N 3.34Å
298I96.7Very high94.9Very high3 Ų335.3 Ų35.32%0.01519%0.189CC..SBendtrans-99.7123.1-176.5-56.7175.8000108.2M254 C258 V262 T294 Q302 I303M254-I298 HydrophobicContact CB-CD1 4.16Å; M254-I298 HydrophobicContact CE-CD1 4.33Å; C258-I298 HydrophobicContact CB-CD1 4.19Å; V262-I298 HydrophobicContact CG1-CD1 3.62Å; V262-I298 HydrophobicContact CG1-CG1 4.02Å; V262-I298 HydrophobicContact CG1-CG2 4.16Å; T294-I298 HydrophobicContact CG2-CD1 3.88Å; T294-I298 PolarHBondContact O-N 3.38Å; T294-I298 VanDerWaalsContact O-N 3.13Å; I298-Q302 HydrophobicContact CG2-CB 4.11Å; I298-I303 HydrophobicContact CB-CD1 4.43Å; I298-I303 HydrophobicContact CG2-CD1 4.04Å; I298-I303 HydrophobicContact CG2-CG1 3.97Å
299P94.9Very high94.7Very high54 Ų5435 Ų3535%0.35119%0.186SC..  trans-57.5139.2175.5-28.737.8000112.7K260 A301 Q302K260-P299 VanDerWaalsContact O-CD 3.3Å; K260-P299 WeakPolarHBondContact O-CD 3.19Å; P299-A301 PolarHBondContact O-N 3.4Å; P299-A301 VanDerWaalsContact O-N 3.15Å; P299-Q302 HydrophobicContact CB-CG 4.42Å; P299-Q302 VanDerWaalsContact CG-OE1 3.26Å; P299-Q302 WeakPolarHBondContact O-CB 3.44Å; P299-Q302 PolarHBondContact O-N 3.25Å
300P93.8Very high94.4Very high38 Ų3835.7 Ų35.725%0.24719%0.19CC..G310 helixtrans-55.9-34.5-178.6-6.21.7000114.1H291 Q302 I303 I433H291-P300 WeakPolarHBondContact CE1-CB 3.4Å; H291-P300 VanDerWaalsContact CE1-CG 3.48Å; H291-P300 WeakPolarHBondContact CE1-CG 3.48Å; P300-Q302 PolarHBondContact O-N 3.44Å; P300-I303 PolarHBondContact O-N 3.34Å; P300-I433 HydrophobicContact CB-CB 4.22Å
301A92.5Very high94.3Very high38 Ų3835.8 Ų35.831%0.31419%0.19SC..G310 helixtrans-64.1-19.7-179.800000113.1P299 W458P299-A301 PolarHBondContact O-N 3.4Å; P299-A301 VanDerWaalsContact O-N 3.15Å; A301-W458 WeakPolarHBondContact O-CZ2 3.31Å; A301-W458 PolarHBondContact O-NE1 2.9Å
302Q94.9Very high94.1Very high36 Ų3635.8 Ų35.817%0.16819%0.191CC..G310 helixtrans-88.5-7.4-178.3-71.5169.9-145.300113.7K260 S261 V262 R263 V264 I298 P299 P300K260-Q302 PolarHBondContact O-NE2 3.43Å; K260-Q302 PolarHBondContact O-OE1 3.33Å; S261-Q302 VanDerWaalsContact C-NE2 3.28Å; V262-Q302 WeakPolarHBondContact O-CB 3.37Å; V262-Q302 PolarHBondContact O-NE2 2.88Å; R263-Q302 WeakPolarHBondContact CA-O 3.32Å; R263-Q302 HydrophobicContact CG-CG 4.31Å; V264-Q302 PolarHBondContact N-O 2.6Å; I298-Q302 HydrophobicContact CG2-CB 4.11Å; P299-Q302 HydrophobicContact CB-CG 4.42Å; P299-Q302 VanDerWaalsContact CG-OE1 3.26Å; P299-Q302 WeakPolarHBondContact O-CB 3.44Å; P299-Q302 PolarHBondContact O-N 3.25Å; P300-Q302 PolarHBondContact O-N 3.44Å
303I97.2Very high93.9Very high0 Ų029.9 Ų29.90%017%0.168CC..EExtended strand (participates in β ladder)trans-112.5107.9177-55.8175.6000107.6V264 L266 V287 L290 T294 I298 P300V264-I303 HydrophobicContact CB-CG1 4.22Å; V264-I303 HydrophobicContact CB-CG2 4.42Å; V264-I303 HydrophobicContact CG2-CG1 4.16Å; L266-I303 HydrophobicContact CD1-CG2 3.74Å; V287-I303 HydrophobicContact CG1-CG2 4.25Å; L290-I303 HydrophobicContact CD2-CD1 4.36Å; L290-I303 HydrophobicContact CD2-CG2 3.93Å; L290-I303 HydrophobicContact CG-CD1 4.32Å; T294-I303 HydrophobicContact CG2-CD1 4.46Å; T294-I303 VanDerWaalsContact OG1-CD1 3.22Å; T294-I303 WeakPolarHBondContact OG1-CD1 3.26Å; I298-I303 HydrophobicContact CB-CD1 4.43Å; I298-I303 HydrophobicContact CG2-CD1 4.04Å; I298-I303 HydrophobicContact CG2-CG1 3.97Å; P300-I303 PolarHBondContact O-N 3.34Å
304V96.7Very high93.8Very high0 Ų025 Ų250%015%0.15CC..EExtended strand (participates in β ladder)trans-127.6153.9-176.9-59.40000110.9V264 L265 L266 W417 L430 V431 M432 W458V264-V304 PolarHBondContact O-N 3.38Å; L265-V304 WeakPolarHBondContact CA-O 3.36Å; L265-V304 HydrophobicContact CD1-CG2 4.02Å; L266-V304 PolarHBondContact N-O 2.55Å; V304-W417 HydrophobicContact CG2-CH2 3.69Å; V304-W417 HydrophobicContact CG2-CZ3 4.08Å; V304-L430 HydrophobicContact CG1-CD1 4.38Å; V304-V431 CarbonylContact C-O 3.56Å; V304-V431 VanDerWaalsContact CA-O 3.27Å; V304-V431 WeakPolarHBondContact CA-O 3.35Å; V304-M432 HydrophobicContact CG1-CG 4.14Å; V304-W458 HydrophobicContact CG1-CZ2 3.66Å; V304-W458 HydrophobicContact CG2-CZ2 4.45Å
305G95.4Very high93.6Very high0 Ų025.3 Ų25.30%015%0.152CC..EExtended strand (participates in β ladder)trans-113.2146.3174.700000112.3L266 T283 V431L266-G305 WeakPolarHBondContact O-CA 3.1Å; T283-G305 VanDerWaalsContact CG2-CA 3.48Å; G305-V431 PolarHBondContact N-O 3.02Å; G305-V431 PolarHBondContact O-N 2.96Å
306L94.6Very high93.6Very high6 Ų621 Ų213%0.03114%0.14CC..EExtended strand (participates in β ladder)trans-77.3127.9-175.8-173.369.8000111.8L265 L266 A267 K308 P309 L338 M409 C412L265-L306 HydrophobicContact CD1-CB 4.15Å; L265-L306 HydrophobicContact CD1-CD1 4.45Å; L266-L306 PolarHBondContact O-N 2.98Å; A267-L306 HydrophobicContact CB-CD2 4.06Å; L306-K308 HydrophobicContact CD1-CB 3.84Å; L306-K308 HydrophobicContact CG-CB 4.49Å; L306-P309 HydrophobicContact CD2-CG 3.97Å; L306-P309 HydrophobicContact CG-CG 4.37Å; L306-L338 VanDerWaalsContact O-CD2 3.29Å; L306-L338 WeakPolarHBondContact O-CD2 3.31Å; L306-M409 HydrophobicContact CD2-CG 3.59Å; L306-C412 HydrophobicContact CD1-CB 3.49Å; L306-C412 VanDerWaalsContact CD1-CB 3.49Å
307V93.1Very high93.5Very high2 Ų218.4 Ų18.41%0.01211%0.111CC..  trans-115.3-17.2174-169.30000111.8P309 L310 E311 I334 L338 V431 S447V307-P309 VanDerWaalsContact O-N 3.16Å; V307-L310 WeakPolarHBondContact O-CB 3.31Å; V307-L310 PolarHBondContact O-N 3.06Å; V307-E311 PolarHBondContact O-N 3.03Å; V307-I334 HydrophobicContact CG1-CB 3.73Å; V307-I334 HydrophobicContact CG1-CG1 4.15Å; V307-I334 HydrophobicContact CG1-CG2 3.75Å; V307-L338 HydrophobicContact CB-CD2 4.2Å; V307-L338 HydrophobicContact CG1-CD1 4.26Å; V307-L338 HydrophobicContact CG1-CD2 4.21Å; V307-L338 HydrophobicContact CG2-CD1 4.04Å; V307-L338 HydrophobicContact CG2-CD2 3.84Å; V307-V431 HydrophobicContact CG2-CG2 3.7Å; V307-S447 WeakPolarHBondContact CG2-OG 3.34Å
308K93.1Very high93.4Very high3 Ų315.5 Ų15.51%0.01310%0.098CC..Hα-helixtrans-54.6-35.2-167.7-165.765.5122.7-172.60115.7L306 L310 E311 L312 A408 E411 C412 E415 T428L306-K308 HydrophobicContact CD1-CB 3.84Å; L306-K308 HydrophobicContact CG-CB 4.49Å; K308-L310 VanDerWaalsContact C-N 3.28Å; K308-L310 PolarHBondContact O-N 3.22Å; K308-E311 HydrophobicContact CD-CB 4.21Å; K308-E311 HydrophobicContact CD-CG 4.48Å; K308-E311 WeakPolarHBondContact CD-OE1 3.41Å; K308-E311 IonicContact NZ-OE1 2.59Å; K308-E311 PolarHBondContact NZ-OE1 2.92Å; K308-E311 IonicContact NZ-OE2 3.6Å; K308-E311 WeakPolarHBondContact O-CB 3.32Å; K308-E311 PolarHBondContact O-N 2.96Å; K308-L312 HydrophobicContact CD-CG 4.41Å; K308-L312 HydrophobicContact CG-CD1 4.25Å; K308-L312 HydrophobicContact CG-CG 4.21Å; K308-L312 WeakPolarHBondContact O-CB 3.43Å; K308-L312 WeakPolarHBondContact O-CG 3.37Å; K308-L312 PolarHBondContact O-N 3.45Å; K308-A408 HydrophobicContact CB-CB 3.89Å; K308-A408 HydrophobicContact CG-CB 3.91Å; K308-A408 WeakPolarHBondContact CG-O 3.44Å; K308-E411 IonicContact NZ-OE1 3.76Å; K308-C412 HydrophobicContact CB-CB 4.29Å; K308-E415 WeakPolarHBondContact CE-OE1 3.42Å; K308-E415 WeakPolarHBondContact CE-OE2 3.41Å; K308-E415 IonicContact NZ-OE1 2.79Å; K308-E415 PolarHBondContact NZ-OE1 2.72Å; K308-E415 IonicContact NZ-OE2 2.64Å; K308-E415 PolarHBondContact NZ-OE2 3.21Å; K308-T428 PolarHBondContact NZ-OG1 3.06Å
309P89.8Confident93.2Very high8 Ų815.4 Ų15.45%0.05210%0.098CC..Hα-helixtrans-57.7-40.4174.2-24.532.4000112.9L306 V307 R313 Y405 A408L306-P309 HydrophobicContact CD2-CG 3.97Å; L306-P309 HydrophobicContact CG-CG 4.37Å; V307-P309 VanDerWaalsContact O-N 3.16Å; P309-R313 WeakPolarHBondContact O-CG 3.37Å; P309-R313 PolarHBondContact O-N 2.76Å; P309-Y405 HydrophobicContact CB-CD1 4.03Å; P309-Y405 HydrophobicContact CB-CD2 4.38Å; P309-Y405 HydrophobicContact CB-CE1 3.83Å; P309-Y405 HydrophobicContact CB-CE2 4.24Å; P309-Y405 HydrophobicContact CB-CG 4.3Å; P309-Y405 HydrophobicContact CG-CD1 3.45Å; P309-Y405 VanDerWaalsContact CG-CD1 3.45Å; P309-Y405 HydrophobicContact CG-CE1 3.53Å; P309-Y405 HydrophobicContact CG-CG 4.03Å; P309-A408 HydrophobicContact CB-CB 4.31Å; P309-A408 HydrophobicContact CG-CB 3.65Å
310L88.3Confident93.1Very high24 Ų2421.3 Ų21.313%0.12612%0.118CC..Hα-helixtrans-70.4-42.9176.4174.952.9000111.4F275 V307 K308 L312 R313 A314 I334 V342F275-L310 HydrophobicContact CE1-CD1 3.25Å; F275-L310 HydrophobicContact CZ-CD1 3.33Å; V307-L310 WeakPolarHBondContact O-CB 3.31Å; V307-L310 PolarHBondContact O-N 3.06Å; K308-L310 VanDerWaalsContact C-N 3.28Å; K308-L310 PolarHBondContact O-N 3.22Å; L310-L312 PolarHBondContact O-N 3.03Å; L310-R313 PolarHBondContact O-N 2.65Å; L310-A314 PolarHBondContact O-N 2.97Å; L310-I334 HydrophobicContact CD2-CD1 4.41Å; L310-I334 HydrophobicContact CD2-CG2 3.72Å; L310-I334 HydrophobicContact CG-CD1 4.02Å; L310-I334 HydrophobicContact CG-CG1 4.19Å; L310-I334 HydrophobicContact CG-CG2 4.31Å; L310-V342 HydrophobicContact CD2-CG1 4.39Å; L310-V342 HydrophobicContact CD2-CG2 4.03Å
311E92.1Very high93Very high2 Ų221.5 Ų21.51%0.00912%0.115CC..Hα-helixtrans-57.1-48.1175-168.9-168.9115.200111.3V307 K308 R313 A314 R315 V332 T428 S429V307-E311 PolarHBondContact O-N 3.03Å; K308-E311 HydrophobicContact CD-CB 4.21Å; K308-E311 HydrophobicContact CD-CG 4.48Å; K308-E311 WeakPolarHBondContact CD-OE1 3.41Å; K308-E311 IonicContact NZ-OE1 2.59Å; K308-E311 PolarHBondContact NZ-OE1 2.92Å; K308-E311 IonicContact NZ-OE2 3.6Å; K308-E311 WeakPolarHBondContact O-CB 3.32Å; K308-E311 PolarHBondContact O-N 2.96Å; E311-R313 VanDerWaalsContact C-N 3.33Å; E311-R313 PolarHBondContact O-N 3.22Å; E311-A314 PolarHBondContact O-N 3.38Å; E311-R315 WeakPolarHBondContact O-CB 3.43Å; E311-R315 VanDerWaalsContact O-CG 3.31Å; E311-R315 WeakPolarHBondContact O-CG 3.26Å; E311-R315 PolarHBondContact O-N 3.49Å; E311-V332 HydrophobicContact CG-CB 4.28Å; E311-V332 HydrophobicContact CG-CG1 4.43Å; E311-T428 PolarHBondContact OE2-OG1 3.01Å; E311-S429 PolarHBondContact OE2-N 2.92Å
312L92.6Very high92.9Very high14 Ų1420 Ų207%0.07310%0.102CC..Hα-helixtrans-63.3-36.2179.7-72.9177.6000112.9K308 L310 R315 A316 L404 A408 E411K308-L312 HydrophobicContact CD-CG 4.41Å; K308-L312 HydrophobicContact CG-CD1 4.25Å; K308-L312 HydrophobicContact CG-CG 4.21Å; K308-L312 WeakPolarHBondContact O-CB 3.43Å; K308-L312 WeakPolarHBondContact O-CG 3.37Å; K308-L312 PolarHBondContact O-N 3.45Å; L310-L312 PolarHBondContact O-N 3.03Å; L312-R315 PolarHBondContact O-N 3.14Å; L312-A316 WeakPolarHBondContact O-CB 3.35Å; L312-A316 PolarHBondContact O-N 3.42Å; L312-L404 HydrophobicContact CB-CD1 3.88Å; L312-L404 HydrophobicContact CD1-CD1 3.87Å; L312-A408 HydrophobicContact CD1-CB 3.88Å; L312-E411 WeakPolarHBondContact CD2-OE2 3.42Å
313R89.3Confident92.7Very high29 Ų2923.8 Ų23.811%0.10912%0.118CC..Hα-helixtrans-67.4-43.1173.6-71.3178.6-172.4160.8-1.2112D273 P309 L310 E311 A316 A317 L404D273-R313 VanDerWaalsContact CG-NH2 3.33Å; D273-R313 IonicContact OD1-CZ 2.76Å; D273-R313 IonicContact OD1-NE 3.5Å; D273-R313 IonicContact OD1-NH1 2.65Å; D273-R313 PolarHBondContact OD1-NH1 3.06Å; D273-R313 VanDerWaalsContact OD1-NH1 3.11Å; D273-R313 IonicContact OD1-NH2 3.78Å; D273-R313 PolarHBondContact OD1-NH2 3.13Å; D273-R313 IonicContact OD2-NH2 3.3Å; P309-R313 WeakPolarHBondContact O-CG 3.37Å; P309-R313 PolarHBondContact O-N 2.76Å; L310-R313 PolarHBondContact O-N 2.65Å; E311-R313 VanDerWaalsContact C-N 3.33Å; E311-R313 PolarHBondContact O-N 3.22Å; R313-A316 PolarHBondContact O-N 3Å; R313-A317 PolarHBondContact O-N 3.49Å; R313-L404 HydrophobicContact CG-CD2 3.88Å; R313-L404 VanDerWaalsContact NE-CD2 3.28Å
314A91.8Very high92.3Very high1 Ų125 Ų251%0.00813%0.125CC..Hα-helixtrans-62-45.717500000110.9L310 E311 A316 A317 V318 V332 I334 L344 L389L310-A314 PolarHBondContact O-N 2.97Å; E311-A314 PolarHBondContact O-N 3.38Å; A314-A316 VanDerWaalsContact C-N 3.34Å; A314-A316 PolarHBondContact O-N 3.04Å; A314-A317 PolarHBondContact O-N 3.06Å; A314-V318 VanDerWaalsContact O-CG2 3.32Å; A314-V318 WeakPolarHBondContact O-CG2 3.3Å; A314-V318 PolarHBondContact O-N 2.97Å; A314-V332 HydrophobicContact CB-CG1 3.9Å; A314-I334 HydrophobicContact CB-CD1 4.46Å; A314-L344 HydrophobicContact CB-CD1 3.87Å; A314-L344 HydrophobicContact CB-CD2 4.14Å; A314-L389 HydrophobicContact CB-CD1 4.31Å
315R93.7Very high92Very high7 Ų731.2 Ų31.23%0.02615%0.149CC..Hα-helixtrans-56-46173.4-72.5171.366.6-174.34.1111.6E311 L312 A317 V318 A319 T326 Y327 V329 V332 E411E311-R315 WeakPolarHBondContact O-CB 3.43Å; E311-R315 VanDerWaalsContact O-CG 3.31Å; E311-R315 WeakPolarHBondContact O-CG 3.26Å; E311-R315 PolarHBondContact O-N 3.49Å; L312-R315 PolarHBondContact O-N 3.14Å; R315-A317 VanDerWaalsContact C-N 3.34Å; R315-A317 PolarHBondContact O-N 3.09Å; R315-V318 PolarHBondContact O-N 3.05Å; R315-A319 WeakPolarHBondContact O-CB 3.27Å; R315-A319 PolarHBondContact O-N 3.3Å; R315-T326 HydrophobicContact CB-CG2 3.92Å; R315-Y327 PolarHBondContact NH2-O 3.1Å; R315-V329 HydrophobicContact CB-CB 4.39Å; R315-V329 HydrophobicContact CB-CG1 4.37Å; R315-V329 HydrophobicContact CG-CG1 4.2Å; R315-V329 PolarHBondContact NE-O 2.84Å; R315-V329 PolarHBondContact NH2-O 3.47Å; R315-V332 HydrophobicContact CG-CB 4.01Å; R315-V332 HydrophobicContact CG-CG2 3.67Å; R315-E411 IonicContact CZ-OE1 2.76Å; R315-E411 IonicContact NH1-OE1 3.26Å; R315-E411 PolarHBondContact NH1-OE1 3.36Å
316A93.4Very high91.9Very high38 Ų3833.9 Ų33.931%0.31417%0.165SC..Hα-helixtrans-63.8-39.2179.800000112.4L312 R313 A314 A319 K320 T326L312-A316 WeakPolarHBondContact O-CB 3.35Å; L312-A316 PolarHBondContact O-N 3.42Å; R313-A316 PolarHBondContact O-N 3Å; A314-A316 VanDerWaalsContact C-N 3.34Å; A314-A316 PolarHBondContact O-N 3.04Å; A316-A319 PolarHBondContact O-N 2.78Å; A316-K320 WeakPolarHBondContact O-CB 3.33Å; A316-K320 PolarHBondContact O-N 2.68Å; A316-T326 HydrophobicContact CB-CG2 3.95Å
317A92.7Very high91.6Very high23 Ų2342 Ų4219%0.1920%0.196CC..Hα-helixtrans-73.1-38.6178.700000112.7R313 A314 R315 K320 H321 L385 L389R313-A317 PolarHBondContact O-N 3.49Å; A314-A317 PolarHBondContact O-N 3.06Å; R315-A317 VanDerWaalsContact C-N 3.34Å; R315-A317 PolarHBondContact O-N 3.09Å; A317-K320 PolarHBondContact O-N 2.77Å; A317-H321 PolarHBondContact O-N 3.25Å; A317-H321 VanDerWaalsContact O-N 3.08Å; A317-L385 HydrophobicContact CB-CD1 3.58Å; A317-L389 HydrophobicContact CB-CD2 3.92Å
318V94.2Very high91.4Very high0 Ų042.5 Ų42.50%020%0.199CC..Hα-helixtrans-60.5-48.1169.2173.70000110.1A314 R315 K320 H321 L322 V329 L346 A371 L381 L385A314-V318 VanDerWaalsContact O-CG2 3.32Å; A314-V318 WeakPolarHBondContact O-CG2 3.3Å; A314-V318 PolarHBondContact O-N 2.97Å; R315-V318 PolarHBondContact O-N 3.05Å; V318-K320 VanDerWaalsContact C-N 3.33Å; V318-K320 PolarHBondContact O-N 3.1Å; V318-H321 PolarHBondContact O-N 2.94Å; V318-H321 VanDerWaalsContact O-N 3.12Å; V318-L322 HydrophobicContact CG1-CD1 3.78Å; V318-L322 HydrophobicContact CG1-CG 4.22Å; V318-L322 WeakPolarHBondContact O-CB 3.06Å; V318-L322 WeakPolarHBondContact O-CG 3.39Å; V318-L322 PolarHBondContact O-N 3.1Å; V318-V329 HydrophobicContact CB-CG1 4.22Å; V318-V329 HydrophobicContact CG1-CG1 3.9Å; V318-V329 HydrophobicContact CG1-CG2 4.24Å; V318-L346 HydrophobicContact CG2-CD1 3.96Å; V318-L346 HydrophobicContact CG2-CD2 3.91Å; V318-A371 HydrophobicContact CG1-CB 4.4Å; V318-L381 HydrophobicContact CG2-CD2 4.32Å; V318-L385 HydrophobicContact CG2-CD2 3.72Å
319A93.3Very high91.4Very high1 Ų142.3 Ų42.31%0.00820%0.198CC..Hα-helixtrans-60-42.1179.900000112.2R315 A316 H321 L322 K323 V324 V329R315-A319 WeakPolarHBondContact O-CB 3.27Å; R315-A319 PolarHBondContact O-N 3.3Å; A316-A319 PolarHBondContact O-N 2.78Å; A319-H321 PolarHBondContact O-N 2.67Å; A319-L322 CarbonylContact O-C 3.54Å; A319-L322 PolarHBondContact O-N 2.81Å; A319-K323 WeakPolarHBondContact O-CA 3.4Å; A319-K323 PolarHBondContact O-N 3.15Å; A319-V324 HydrophobicContact CB-CG2 3.97Å; A319-V324 PolarHBondContact O-N 3.11Å; A319-V329 HydrophobicContact CB-CG2 3.74Å
320K92.5Very high91.6Very high177 Ų17742.7 Ų42.777%0.7720%0.2SC*.Hα-helixtrans-60.1-44.4174.1-175.8178179.9-179.70111.8A316 A317 V318 L322 K323A316-K320 WeakPolarHBondContact O-CB 3.33Å; A316-K320 PolarHBondContact O-N 2.68Å; A317-K320 PolarHBondContact O-N 2.77Å; V318-K320 VanDerWaalsContact C-N 3.33Å; V318-K320 PolarHBondContact O-N 3.1Å; K320-L322 VanDerWaalsContact C-N 3.34Å; K320-K323 PolarHBondContact O-N 3.31Å
321H92Very high91.8Very high43 Ų4342 Ų4220%0.19920%0.197CC..Hα-helixtrans-66.2-37.4177.6-171.969.8000112.2A317 V318 A319 K323 N377 W380 L381A317-H321 PolarHBondContact O-N 3.25Å; A317-H321 VanDerWaalsContact O-N 3.08Å; V318-H321 PolarHBondContact O-N 2.94Å; V318-H321 VanDerWaalsContact O-N 3.12Å; A319-H321 PolarHBondContact O-N 2.67Å; H321-K323 VanDerWaalsContact C-N 3.34Å; H321-N377 PolarHBondContact NE2-N 2.75Å; H321-W380 HydrophobicContact CB-CZ3 4.25Å; H321-W380 AromaticContact ND1-CE3 3.98Å; H321-W380 AromaticContact ND1-CZ3 3.95Å; H321-L381 HydrophobicContact CB-CD2 4.04Å
322L90.9Very high92Very high5 Ų542 Ų423%0.02620%0.197CC..Hα-helixtrans-84.3-5.4179.2-63.5-175.3000114.2V318 A319 K320 V324 V351 A371 V374 A375V318-L322 HydrophobicContact CG1-CD1 3.78Å; V318-L322 HydrophobicContact CG1-CG 4.22Å; V318-L322 WeakPolarHBondContact O-CB 3.06Å; V318-L322 WeakPolarHBondContact O-CG 3.39Å; V318-L322 PolarHBondContact O-N 3.1Å; A319-L322 CarbonylContact O-C 3.54Å; A319-L322 PolarHBondContact O-N 2.81Å; K320-L322 VanDerWaalsContact C-N 3.34Å; L322-V324 VanDerWaalsContact C-N 3.33Å; L322-V324 HydrophobicContact CB-CG1 4.42Å; L322-V324 HydrophobicContact CB-CG2 3.97Å; L322-V324 PolarHBondContact O-N 3.19Å; L322-V351 HydrophobicContact CD1-CB 4.37Å; L322-V351 HydrophobicContact CD1-CG1 4.34Å; L322-A371 HydrophobicContact CD1-CB 4Å; L322-V374 HydrophobicContact CD1-CG2 4.23Å; L322-V374 HydrophobicContact CD2-CG2 4.09Å; L322-A375 VanDerWaalsContact CD2-CA 3.48Å; L322-A375 HydrophobicContact CD2-CB 3.77Å
323K89.7Confident92.1Very high116 Ų11641.3 Ų41.350%0.50419%0.193SC..THydrogen-bonded Turntrans56.343.7-175.8-56.6165.3-175.9152.40112.5A319 K320 H321 E376A319-K323 WeakPolarHBondContact O-CA 3.4Å; A319-K323 PolarHBondContact O-N 3.15Å; K320-K323 PolarHBondContact O-N 3.31Å; H321-K323 VanDerWaalsContact C-N 3.34Å; K323-E376 IonicContact NZ-OE1 2.83Å; K323-E376 PolarHBondContact NZ-OE1 2.67Å; K323-E376 IonicContact NZ-OE2 3.97Å
324V89.2Confident92.3Very high26 Ų2640 Ų4016%0.15819%0.188CC..SBendtrans-124177.2177.3-60.70000111A319 L322 V329 V351 R354A319-V324 HydrophobicContact CB-CG2 3.97Å; A319-V324 PolarHBondContact O-N 3.11Å; L322-V324 VanDerWaalsContact C-N 3.33Å; L322-V324 HydrophobicContact CB-CG1 4.42Å; L322-V324 HydrophobicContact CB-CG2 3.97Å; L322-V324 PolarHBondContact O-N 3.19Å; V324-V329 HydrophobicContact CG2-CG2 3.92Å; V324-V351 HydrophobicContact CB-CG2 4.23Å; V324-V351 HydrophobicContact CG1-CG2 3.97Å; V324-V351 HydrophobicContact CG2-CG2 3.82Å; V324-R354 HydrophobicContact CG1-CG 3.96Å
325R90.6Very high92.4Very high131 Ų13140 Ų4049%0.49419%0.188SC..  trans-78.3147.2174.2-51.9-179.2-64.1161.15.4110.3Y327 D328R325-Y327 VanDerWaalsContact C-N 3.26Å; R325-Y327 PolarHBondContact O-N 3.08Å; R325-D328 WeakPolarHBondContact CB-OD2 3.31Å; R325-D328 IonicContact CZ-OD1 3.63Å; R325-D328 IonicContact CZ-OD2 3.59Å; R325-D328 IonicContact NE-OD1 3.95Å; R325-D328 IonicContact NE-OD2 3.69Å; R325-D328 PolarHBondContact NE-OD2 3.26Å; R325-D328 IonicContact NH2-OD1 3.7Å; R325-D328 PolarHBondContact NH2-OD1 3.47Å; R325-D328 IonicContact NH2-OD2 2.74Å; R325-D328 PolarHBondContact NH2-OD2 3.15Å; R325-D328 WeakPolarHBondContact O-CB 3.12Å; R325-D328 PolarHBondContact O-N 3.37Å; R325-D328 VanDerWaalsContact O-N 3.08Å
326T92.5Very high92.2Very high55 Ų5539.6 Ų39.634%0.33719%0.187SC..G310 helixtrans-56.6-40175.5-54.70000112.8R315 A316 D328 V329R315-T326 HydrophobicContact CB-CG2 3.92Å; A316-T326 HydrophobicContact CB-CG2 3.95Å; T326-D328 PolarHBondContact O-N 3.33Å; T326-V329 PolarHBondContact O-N 3.4Å
327Y89.8Confident91.9Very high177 Ų17738.4 Ų38.469%0.69418%0.175SC*.G310 helixtrans-57.5-34.8178.1-174.9-93.1000112.6R315 R325 V329R315-Y327 PolarHBondContact NH2-O 3.1Å; R325-Y327 VanDerWaalsContact C-N 3.26Å; R325-Y327 PolarHBondContact O-N 3.08Å; Y327-V329 VanDerWaalsContact C-N 3.27Å; Y327-V329 PolarHBondContact O-N 3.46Å
328D88.9Confident91.6Very high12 Ų1238.1 Ų38.16%0.06417%0.17CC..G310 helixtrans-77.9-11.1-175.4-66.2-32.7000113.3R325 T326 V351 S352R325-D328 WeakPolarHBondContact CB-OD2 3.31Å; R325-D328 IonicContact CZ-OD1 3.63Å; R325-D328 IonicContact CZ-OD2 3.59Å; R325-D328 IonicContact NE-OD1 3.95Å; R325-D328 IonicContact NE-OD2 3.69Å; R325-D328 PolarHBondContact NE-OD2 3.26Å; R325-D328 IonicContact NH2-OD1 3.7Å; R325-D328 PolarHBondContact NH2-OD1 3.47Å; R325-D328 IonicContact NH2-OD2 2.74Å; R325-D328 PolarHBondContact NH2-OD2 3.15Å; R325-D328 WeakPolarHBondContact O-CB 3.12Å; R325-D328 PolarHBondContact O-N 3.37Å; R325-D328 VanDerWaalsContact O-N 3.08Å; T326-D328 PolarHBondContact O-N 3.33Å; D328-V351 WeakPolarHBondContact O-CA 3.36Å; D328-S352 VanDerWaalsContact CB-O 3.24Å; D328-S352 WeakPolarHBondContact CB-O 3.47Å; D328-S352 PolarHBondContact O-N 3.06Å
329V92.7Very high90.8Very high0 Ų038.1 Ų38.10%017%0.171CC..EExtended strand (participates in β ladder)trans-90.7128.4173.2-1790000108.8R315 V318 A319 V324 T326 Y327 V332 C350R315-V329 HydrophobicContact CB-CB 4.39Å; R315-V329 HydrophobicContact CB-CG1 4.37Å; R315-V329 HydrophobicContact CG-CG1 4.2Å; R315-V329 PolarHBondContact NE-O 2.84Å; R315-V329 PolarHBondContact NH2-O 3.47Å; V318-V329 HydrophobicContact CB-CG1 4.22Å; V318-V329 HydrophobicContact CG1-CG1 3.9Å; V318-V329 HydrophobicContact CG1-CG2 4.24Å; A319-V329 HydrophobicContact CB-CG2 3.74Å; V324-V329 HydrophobicContact CG2-CG2 3.92Å; T326-V329 PolarHBondContact O-N 3.4Å; Y327-V329 VanDerWaalsContact C-N 3.27Å; Y327-V329 PolarHBondContact O-N 3.46Å; V329-V332 HydrophobicContact CG1-CG2 3.86Å; V329-C350 CarbonylContact C-O 3.56Å; V329-C350 WeakPolarHBondContact CA-O 3.26Å
330T92.6Very high90.2Very high16 Ų1639.4 Ų39.410%0.09818%0.179CC..EExtended strand (participates in β ladder)trans-137.3169.7-174.349.20000110.7V332 S349 C350 R368T330-V332 VanDerWaalsContact C-N 3.28Å; T330-V332 PolarHBondContact O-N 2.89Å; T330-S349 CarbonylContact O-C 3.59Å; T330-S349 VanDerWaalsContact O-CA 3.24Å; T330-S349 WeakPolarHBondContact O-CA 3.31Å; T330-C350 PolarHBondContact N-O 3.13Å; T330-C350 PolarHBondContact O-N 3.09Å; T330-C350 PolarHBondContact OG1-O 2.78Å; T330-R368 PolarHBondContact OG1-NH2 3.39Å
331D94.2Very high89.8Confident10 Ų1032.5 Ų32.55%0.05315%0.153CC..  trans55.937.9177-49.8-29.2000114.3R348 S349 R368 Q426 I427D331-R348 HydrophobicContact CB-CB 4.4Å; D331-R348 VanDerWaalsContact CB-O 3.3Å; D331-R348 WeakPolarHBondContact CB-O 3.42Å; D331-S349 VanDerWaalsContact O-CA 3.25Å; D331-S349 WeakPolarHBondContact O-CA 3.47Å; D331-S349 PolarHBondContact O-N 3.49Å; D331-R368 IonicContact OD1-NH2 3.11Å; D331-R368 PolarHBondContact OD1-NH2 3Å; D331-R368 IonicContact OD2-CZ 3.95Å; D331-R368 IonicContact OD2-NH1 2.98Å; D331-R368 IonicContact OD2-NH2 2.66Å; D331-R368 PolarHBondContact OD2-NH2 3.39Å; D331-Q426 WeakPolarHBondContact OD1-CA 3.21Å; D331-I427 HydrophobicContact CB-CB 4.22Å; D331-I427 PolarHBondContact OD1-N 2.7Å
332V95.2Very high89.6Confident0 Ų030.6 Ų30.60%015%0.145CC..  trans-84.3119.3172.1173.50000108.3E311 A314 R315 V329 T330 L344 L346E311-V332 HydrophobicContact CG-CB 4.28Å; E311-V332 HydrophobicContact CG-CG1 4.43Å; A314-V332 HydrophobicContact CB-CG1 3.9Å; R315-V332 HydrophobicContact CG-CB 4.01Å; R315-V332 HydrophobicContact CG-CG2 3.67Å; V329-V332 HydrophobicContact CG1-CG2 3.86Å; T330-V332 VanDerWaalsContact C-N 3.28Å; T330-V332 PolarHBondContact O-N 2.89Å; V332-L344 HydrophobicContact CG1-CD1 3.51Å; V332-L346 HydrophobicContact CG1-CD2 4.05Å; V332-L346 HydrophobicContact CG2-CD2 4.05Å
333V95.4Very high89.6Confident1 Ų130.4 Ų30.41%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-104.1131.1-175.7179.30000110.4W335 D345 I427 P449 M464V333-W335 HydrophobicContact CG1-CD2 4.23Å; V333-W335 HydrophobicContact CG1-CG 4.27Å; V333-W335 HydrophobicContact CG1-CZ2 4.28Å; V333-D345 HydrophobicContact CB-CB 4.18Å; V333-D345 PolarHBondContact N-O 3.26Å; V333-D345 VanDerWaalsContact N-O 3.08Å; V333-D345 PolarHBondContact O-N 3.34Å; V333-I427 HydrophobicContact CG2-CG2 3.74Å; V333-P449 HydrophobicContact CG1-CB 3.76Å; V333-P449 HydrophobicContact CG1-CG 4.12Å; V333-P449 HydrophobicContact CG2-CB 3.99Å; V333-M464 HydrophobicContact CG2-CE 3.88Å
334I93.6Very high89.7Confident1 Ų125.6 Ų25.61%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-111.1113.2172.6-57.4-64.6000107.9V307 L310 A314 V342 S343 L344 S429 S447V307-I334 HydrophobicContact CG1-CB 3.73Å; V307-I334 HydrophobicContact CG1-CG1 4.15Å; V307-I334 HydrophobicContact CG1-CG2 3.75Å; L310-I334 HydrophobicContact CD2-CD1 4.41Å; L310-I334 HydrophobicContact CD2-CG2 3.72Å; L310-I334 HydrophobicContact CG-CD1 4.02Å; L310-I334 HydrophobicContact CG-CG1 4.19Å; L310-I334 HydrophobicContact CG-CG2 4.31Å; A314-I334 HydrophobicContact CB-CD1 4.46Å; I334-V342 HydrophobicContact CG2-CB 4.28Å; I334-V342 HydrophobicContact CG2-CG1 4.24Å; I334-S343 WeakPolarHBondContact CA-O 3.48Å; I334-L344 HydrophobicContact CD1-CB 4.46Å; I334-L344 HydrophobicContact CD1-CD1 3.62Å; I334-S429 PolarHBondContact N-OG 2.79Å; I334-S447 VanDerWaalsContact O-CB 3.28Å; I334-S447 WeakPolarHBondContact O-CB 3.28Å; I334-S447 PolarHBondContact O-OG 3.04Å
335W93.1Very high89.9Confident0 Ų024.5 Ų24.50%012%0.117CC..EExtended strand (participates in β ladder)trans-94.3150.1170.6-60.995.6000109.5V333 V342 S343 D345 Y438 F446 F448 P449 M464 L466 V470 L474V333-W335 HydrophobicContact CG1-CD2 4.23Å; V333-W335 HydrophobicContact CG1-CG 4.27Å; V333-W335 HydrophobicContact CG1-CZ2 4.28Å; W335-V342 CarbonylContact O-C 3.35Å; W335-V342 VanDerWaalsContact O-CA 3.22Å; W335-V342 WeakPolarHBondContact O-CA 3.35Å; W335-V342 WeakPolarHBondContact O-CB 3.43Å; W335-S343 PolarHBondContact N-O 2.9Å; W335-S343 PolarHBondContact O-N 2.73Å; W335-D345 PolarHBondContact NE1-OD2 3.4Å; W335-Y438 AromaticContact CH2-CD1 3.98Å; W335-Y438 HydrophobicContact CH2-CD1 3.98Å; W335-Y438 AromaticContact CH2-CD2 3.73Å; W335-Y438 HydrophobicContact CH2-CD2 3.73Å; W335-Y438 AromaticContact CH2-CE1 3.87Å; W335-Y438 HydrophobicContact CH2-CE1 3.87Å; W335-Y438 AromaticContact CH2-CE2 3.64Å; W335-Y438 HydrophobicContact CH2-CE2 3.64Å; W335-Y438 AromaticContact CH2-CG 3.91Å; W335-Y438 HydrophobicContact CH2-CG 3.91Å; W335-Y438 AromaticContact CH2-CZ 3.7Å; W335-Y438 HydrophobicContact CZ3-CD1 4.33Å; W335-Y438 AromaticContact CZ3-CD2 3.64Å; W335-Y438 HydrophobicContact CZ3-CD2 3.64Å; W335-Y438 AromaticContact CZ3-CE2 3.99Å; W335-Y438 HydrophobicContact CZ3-CE2 3.99Å; W335-Y438 AromaticContact CZ3-CG 3.84Å; W335-Y438 HydrophobicContact CZ3-CG 3.84Å; W335-F446 HydrophobicContact CB-CE1 4.38Å; W335-F446 HydrophobicContact CE3-CE1 4.34Å; W335-F448 HydrophobicContact CE3-CD1 4.44Å; W335-F448 AromaticContact CZ3-CD1 3.94Å; W335-F448 HydrophobicContact CZ3-CD1 3.94Å; W335-P449 HydrophobicContact CH2-CG 3.4Å; W335-P449 VanDerWaalsContact CH2-CG 3.4Å; W335-P449 HydrophobicContact CZ2-CG 3.51Å; W335-P449 HydrophobicContact CZ3-CG 4.09Å; W335-M464 HydrophobicContact CZ2-SD 3.68Å; W335-L466 HydrophobicContact CH2-CD2 4.15Å; W335-L466 HydrophobicContact CZ2-CD2 3.6Å; W335-V470 HydrophobicContact CG-CG1 4.39Å; W335-L474 HydrophobicContact CD2-CD1 4.13Å; W335-L474 HydrophobicContact CE3-CD1 3.76Å; W335-L474 HydrophobicContact CZ3-CD1 4.17Å
336G89.9Confident90.1Very high0 Ų018.6 Ų18.60%010%0.095CC..EExtended strand (participates in β ladder)trans136.3-178.2167.100000116.2S341 F446 S447G336-S341 CarbonylContact C-O 3.5Å; G336-S341 VanDerWaalsContact CA-O 3.3Å; G336-S341 WeakPolarHBondContact CA-O 3.41Å; G336-F446 VanDerWaalsContact C-CD2 3.48Å; G336-F446 VanDerWaalsContact CA-CE2 3.45Å; G336-F446 WeakPolarHBondContact O-CD2 3.49Å; G336-F446 WeakPolarHBondContact O-CG 3.45Å; G336-S447 WeakPolarHBondContact O-CB 3.06Å; G336-S447 PolarHBondContact O-N 3.47Å
337N87.7Confident90.1Very high13 Ų1317.9 Ų17.97%0.079%0.092CC..EExtended strand (participates in β ladder)trans-97.1102170.3176.6-12.3000108.9C284 G339 S340 S341 F446 S481C284-N337 WeakPolarHBondContact CB-OD1 3.4Å; N337-G339 PolarHBondContact O-N 2.94Å; N337-S340 VanDerWaalsContact CB-OG 3.29Å; N337-S340 WeakPolarHBondContact CB-OG 3.42Å; N337-S340 PolarHBondContact ND2-OG 2.88Å; N337-S340 PolarHBondContact O-N 2.98Å; N337-S340 PolarHBondContact O-OG 3.28Å; N337-S340 VanDerWaalsContact O-OG 3.13Å; N337-S340 PolarHBondContact OD1-OG 3.3Å; N337-S341 PolarHBondContact N-O 3Å; N337-S341 PolarHBondContact O-N 3.33Å; N337-F446 HydrophobicContact CB-CD2 4.34Å; N337-F446 HydrophobicContact CB-CE2 4.43Å; N337-S481 WeakPolarHBondContact CB-OG 3.44Å; N337-S481 PolarHBondContact ND2-OG 3.44Å
338L85Confident90.3Very high16 Ų1615.2 Ų15.28%0.0848%0.081CC..THydrogen-bonded Turntrans-58124176.3-85.772.2000109.9P282 T283 C284 L306 V307 V342 V431P282-L338 CarbonylContact C-O 3.32Å; P282-L338 WeakPolarHBondContact CA-O 3.27Å; T283-L338 PolarHBondContact N-O 3.42Å; C284-L338 PolarHBondContact SG-N 3.49Å; L306-L338 VanDerWaalsContact O-CD2 3.29Å; L306-L338 WeakPolarHBondContact O-CD2 3.31Å; V307-L338 HydrophobicContact CB-CD2 4.2Å; V307-L338 HydrophobicContact CG1-CD1 4.26Å; V307-L338 HydrophobicContact CG1-CD2 4.21Å; V307-L338 HydrophobicContact CG2-CD1 4.04Å; V307-L338 HydrophobicContact CG2-CD2 3.84Å; L338-V342 HydrophobicContact CD1-CG1 4.17Å; L338-V342 HydrophobicContact CG-CG1 4.49Å; L338-V431 HydrophobicContact CB-CG2 4.48Å; L338-V431 HydrophobicContact CD1-CG2 3.72Å; L338-V431 HydrophobicContact CD2-CG2 4Å; L338-V431 HydrophobicContact CG-CG2 4.28Å
339G78.2Confident90.5Very high1 Ų114.7 Ų14.71%0.018%0.078CC..THydrogen-bonded Turntrans97.80.9-172.500000115.2R236 M277 N337R236-G339 PolarHBondContact NH2-O 3.09Å; M277-G339 CarbonylContact O-C 3.58Å; M277-G339 VanDerWaalsContact O-C 3.32Å; M277-G339 VanDerWaalsContact O-CA 3.25Å; M277-G339 WeakPolarHBondContact O-CA 2.95Å; M277-G339 VanDerWaalsContact O-O 3.1Å; N337-G339 PolarHBondContact O-N 2.94Å
340S80.8Confident90.5Very high28 Ų2815.8 Ų15.820%0.1969%0.085CC..THydrogen-bonded Turntrans-141.2-76173.159.70000113.7M277 N337M277-S340 WeakPolarHBondContact CE-O 3.33Å; M277-S340 VanDerWaalsContact SD-O 3.35Å; N337-S340 VanDerWaalsContact CB-OG 3.29Å; N337-S340 WeakPolarHBondContact CB-OG 3.42Å; N337-S340 PolarHBondContact ND2-OG 2.88Å; N337-S340 PolarHBondContact O-N 2.98Å; N337-S340 PolarHBondContact O-OG 3.28Å; N337-S340 VanDerWaalsContact O-OG 3.13Å; N337-S340 PolarHBondContact OD1-OG 3.3Å
341S84.7Confident90.4Very high31 Ų3115.3 Ų15.322%0.2178%0.083CC..EExtended strand (participates in β ladder)trans-131.8123.1-176.2-1630000110.5G336 N337 S477G336-S341 CarbonylContact C-O 3.5Å; G336-S341 VanDerWaalsContact CA-O 3.3Å; G336-S341 WeakPolarHBondContact CA-O 3.41Å; N337-S341 PolarHBondContact N-O 3Å; N337-S341 PolarHBondContact O-N 3.33Å; S341-S477 WeakPolarHBondContact CB-OG 3.35Å; S341-S477 PolarHBondContact OG-OG 2.47Å
342V87.3Confident89.9Confident3 Ų315.7 Ų15.72%0.0189%0.086CC..EExtended strand (participates in β ladder)trans-127.7156.8176.1-70.50000110.9M277 L310 I334 W335 L338 L386 R390M277-V342 HydrophobicContact CE-CB 3.82Å; M277-V342 HydrophobicContact CE-CG1 3.43Å; M277-V342 VanDerWaalsContact CE-CG1 3.43Å; M277-V342 HydrophobicContact CE-CG2 3.48Å; M277-V342 VanDerWaalsContact CE-CG2 3.48Å; M277-V342 HydrophobicContact SD-CB 4.35Å; M277-V342 HydrophobicContact SD-CG2 3.45Å; M277-V342 WeakPolarHBondContact SD-CG2 3.35Å; L310-V342 HydrophobicContact CD2-CG1 4.39Å; L310-V342 HydrophobicContact CD2-CG2 4.03Å; I334-V342 HydrophobicContact CG2-CB 4.28Å; I334-V342 HydrophobicContact CG2-CG1 4.24Å; W335-V342 CarbonylContact O-C 3.35Å; W335-V342 VanDerWaalsContact O-CA 3.22Å; W335-V342 WeakPolarHBondContact O-CA 3.35Å; W335-V342 WeakPolarHBondContact O-CB 3.43Å; L338-V342 HydrophobicContact CD1-CG1 4.17Å; L338-V342 HydrophobicContact CG-CG1 4.49Å; V342-L386 HydrophobicContact CG2-CD1 4.46Å; V342-L386 HydrophobicContact CG2-CD2 4.49Å; V342-L386 VanDerWaalsContact O-CD2 3.28Å; V342-L386 WeakPolarHBondContact O-CD2 3.18Å; V342-R390 PolarHBondContact O-NH2 3.47Å
343S89.9Confident88.5Confident2 Ų216.1 Ų16.11%0.0149%0.089CC..EExtended strand (participates in β ladder)trans-132137.1-179.6-69.40000109.6I334 W335 Q473I334-S343 WeakPolarHBondContact CA-O 3.48Å; W335-S343 PolarHBondContact N-O 2.9Å; W335-S343 PolarHBondContact O-N 2.73Å; S343-Q473 WeakPolarHBondContact OG-CB 3.34Å; S343-Q473 PolarHBondContact OG-OE1 3.43Å
344L92.1Very high86.6Confident15 Ų1519.7 Ų19.78%0.07910%0.102CC..EExtended strand (participates in β ladder)trans-100.5120.5177.417458.6000108.5A314 V332 I334 L346 L385 L386A314-L344 HydrophobicContact CB-CD1 3.87Å; A314-L344 HydrophobicContact CB-CD2 4.14Å; V332-L344 HydrophobicContact CG1-CD1 3.51Å; I334-L344 HydrophobicContact CD1-CB 4.46Å; I334-L344 HydrophobicContact CD1-CD1 3.62Å; L344-L346 HydrophobicContact CD1-CD2 3.83Å; L344-L346 HydrophobicContact CD1-CG 4.33Å; L344-L346 HydrophobicContact CD2-CD2 4.43Å; L344-L346 HydrophobicContact CD2-CG 4.46Å; L344-L346 HydrophobicContact CG-CD2 4.13Å; L344-L346 HydrophobicContact CG-CG 4.1Å; L344-L385 HydrophobicContact CD2-CB 4.46Å; L344-L385 HydrophobicContact CD2-CD2 3.56Å; L344-L385 HydrophobicContact CD2-CG 3.92Å; L344-L386 HydrophobicContact CB-CB 4.25Å; L344-L386 HydrophobicContact CB-CD2 4.28Å
345D94.5Very high84.7Confident3 Ų328.3 Ų28.32%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-113.1117176-175.72.3000110V333 W335 S347 V470V333-D345 HydrophobicContact CB-CB 4.18Å; V333-D345 PolarHBondContact N-O 3.26Å; V333-D345 VanDerWaalsContact N-O 3.08Å; V333-D345 PolarHBondContact O-N 3.34Å; W335-D345 PolarHBondContact NE1-OD2 3.4Å; D345-S347 WeakPolarHBondContact OD1-CB 3.29Å; D345-S347 PolarHBondContact OD1-N 3.26Å; D345-S347 PolarHBondContact OD1-OG 3.41Å; D345-S347 PolarHBondContact OD2-OG 3.14Å; D345-V470 HydrophobicContact CB-CG1 4.47Å; D345-V470 HydrophobicContact CB-CG2 3.91Å
346L94.8Very high82.8Confident6 Ų632.6 Ų32.63%0.03116%0.155CC..  trans-105.85.3179.9-62.3179.9000112V318 V332 L344 R348 S349 L372 L381 L385V318-L346 HydrophobicContact CG2-CD1 3.96Å; V318-L346 HydrophobicContact CG2-CD2 3.91Å; V332-L346 HydrophobicContact CG1-CD2 4.05Å; V332-L346 HydrophobicContact CG2-CD2 4.05Å; L344-L346 HydrophobicContact CD1-CD2 3.83Å; L344-L346 HydrophobicContact CD1-CG 4.33Å; L344-L346 HydrophobicContact CD2-CD2 4.43Å; L344-L346 HydrophobicContact CD2-CG 4.46Å; L344-L346 HydrophobicContact CG-CD2 4.13Å; L344-L346 HydrophobicContact CG-CG 4.1Å; L346-R348 PolarHBondContact O-N 2.98Å; L346-S349 WeakPolarHBondContact CB-OG 3.32Å; L346-S349 PolarHBondContact O-N 2.89Å; L346-S349 VanDerWaalsContact O-N 3.09Å; L346-S349 PolarHBondContact O-OG 3.29Å; L346-L372 HydrophobicContact CB-CD1 4.03Å; L346-L372 HydrophobicContact CB-CD2 4.09Å; L346-L372 HydrophobicContact CB-CG 4.13Å; L346-L372 HydrophobicContact CD1-CD2 4.31Å; L346-L372 WeakPolarHBondContact O-CD1 3.16Å; L346-L381 HydrophobicContact CD1-CB 3.89Å; L346-L385 HydrophobicContact CD1-CD2 4.16Å
347S92.7Very high81.2Confident40 Ų4041.4 Ų41.428%0.2819%0.193SC..THydrogen-bonded Turntrans-58.1-33.5-175.663.40000113.5D345D345-S347 WeakPolarHBondContact OD1-CB 3.29Å; D345-S347 PolarHBondContact OD1-N 3.26Å; D345-S347 PolarHBondContact OD1-OG 3.41Å; D345-S347 PolarHBondContact OD2-OG 3.14Å
348R92.7Very high79.8Confident122 Ų12247.4 Ų47.446%0.4623%0.225SC..THydrogen-bonded Turntrans-102-5.7175.9-62.8-56.7-172.4156.73.1114.3D331 L346 C350 I427 M464D331-R348 HydrophobicContact CB-CB 4.4Å; D331-R348 VanDerWaalsContact CB-O 3.3Å; D331-R348 WeakPolarHBondContact CB-O 3.42Å; L346-R348 PolarHBondContact O-N 2.98Å; R348-C350 PolarHBondContact O-N 3.29Å; R348-C350 PolarHBondContact O-SG 2.96Å; R348-I427 HydrophobicContact CB-CD1 4.27Å; R348-I427 HydrophobicContact CG-CD1 4.36Å; R348-M464 HydrophobicContact CB-CE 4.11Å; R348-M464 HydrophobicContact CG-CE 3.42Å; R348-M464 VanDerWaalsContact CG-CE 3.42Å
349S94.2Very high78.4Confident1 Ų147.4 Ų47.41%0.00723%0.227CC..  trans-61.6136.3-175.664.20000111.1T330 D331 L346 A371T330-S349 CarbonylContact O-C 3.59Å; T330-S349 VanDerWaalsContact O-CA 3.24Å; T330-S349 WeakPolarHBondContact O-CA 3.31Å; D331-S349 VanDerWaalsContact O-CA 3.25Å; D331-S349 WeakPolarHBondContact O-CA 3.47Å; D331-S349 PolarHBondContact O-N 3.49Å; L346-S349 WeakPolarHBondContact CB-OG 3.32Å; L346-S349 PolarHBondContact O-N 2.89Å; L346-S349 VanDerWaalsContact O-N 3.09Å; L346-S349 PolarHBondContact O-OG 3.29Å; S349-A371 WeakPolarHBondContact O-CB 3.41Å; S349-A371 PolarHBondContact O-N 3.44Å; S349-A371 VanDerWaalsContact OG-CB 3.29Å; S349-A371 WeakPolarHBondContact OG-CB 3.47Å
350C92.5Very high77.2Confident22 Ų2251.5 Ų51.515%0.14927%0.27CS..EExtended strand (participates in β ladder)trans-122.2152.9-175.6-69.70000110.8V329 T330 R348 R368 L369V329-C350 CarbonylContact C-O 3.56Å; V329-C350 WeakPolarHBondContact CA-O 3.26Å; T330-C350 PolarHBondContact N-O 3.13Å; T330-C350 PolarHBondContact O-N 3.09Å; T330-C350 PolarHBondContact OG1-O 2.78Å; R348-C350 PolarHBondContact O-N 3.29Å; R348-C350 PolarHBondContact O-SG 2.96Å; C350-R368 HydrophobicContact CB-CB 4.23Å; C350-L369 CarbonylContact C-O 3.51Å; C350-L369 VanDerWaalsContact CA-O 3.29Å; C350-L369 WeakPolarHBondContact CA-O 3.3Å
351V90.3Very high75.8Confident7 Ų755.3 Ų55.34%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-126129.8170.761.60000110.4L322 V324 D328 L369 V374L322-V351 HydrophobicContact CD1-CB 4.37Å; L322-V351 HydrophobicContact CD1-CG1 4.34Å; V324-V351 HydrophobicContact CB-CG2 4.23Å; V324-V351 HydrophobicContact CG1-CG2 3.97Å; V324-V351 HydrophobicContact CG2-CG2 3.82Å; D328-V351 WeakPolarHBondContact O-CA 3.36Å; V351-L369 HydrophobicContact CG1-CB 4.3Å; V351-L369 PolarHBondContact N-O 3.46Å; V351-L369 PolarHBondContact O-N 2.7Å; V351-V374 HydrophobicContact CG1-CG2 3.75Å
352S82.7Confident74.2Confident17 Ų1758.4 Ų58.412%0.11931%0.309CS..EExtended strand (participates in β ladder)trans-100.6140.9170.4-57.90000109.7D328 I367D328-S352 VanDerWaalsContact CB-O 3.24Å; D328-S352 WeakPolarHBondContact CB-O 3.47Å; D328-S352 PolarHBondContact O-N 3.06Å; S352-I367 WeakPolarHBondContact CA-O 3.41Å
353C67.5Low72.7Confident10 Ų1058.8 Ų58.87%0.06831%0.313CS..  trans57.5101.7175.6-73.60000117.6G363 G364 N365C353-G363 PolarHBondContact SG-O 2.86Å; C353-G364 VanDerWaalsContact SG-C 3.54Å; C353-N365 PolarHBondContact SG-N 2.97Å; C353-N365 PolarHBondContact SG-OD1 3.46Å
354R53.6Low71.3Confident75 Ų7560.1 Ų60.128%0.28333%0.327SS..  trans-84.8109.3152.6-89.3-168.3178.7-176.13.5109.2V324 A359 V374V324-R354 HydrophobicContact CG1-CG 3.96Å; R354-A359 HydrophobicContact CB-CB 3.88Å; R354-A359 HydrophobicContact CG-CB 4.47Å; R354-V374 PolarHBondContact NH2-O 2.95Å
355R54.4Low70Confident183 Ų18364.4 Ų64.469%0.69135%0.35SS*.  trans-105.150170.1-64.4-170.2-172.8-176.32.8111.6
356H52.6Low68.8Low89 Ų8972 Ų7241%0.41239%0.385SS..  trans-103.8141.4170.8-138.832000110.3D358 A359H356-D358 PolarHBondContact O-N 2.81Å; H356-D358 VanDerWaalsContact O-N 3.11Å; H356-A359 HydrophobicContact CB-CB 4.3Å; H356-A359 WeakPolarHBondContact O-CB 3.15Å; H356-A359 PolarHBondContact O-N 2.84Å
357F57.4Low68Low186 Ų18675.1 Ų75.182%0.81640%0.401SS*.THydrogen-bonded Turntrans-59.9-23-174.865.8-89.2000113
358D58.2Low67.5Low138 Ų13876.9 Ų76.974%0.73840%0.402SS*.THydrogen-bonded Turntrans-104.810.5178.4-164.616.8000113.2H356H356-D358 PolarHBondContact O-N 2.81Å; H356-D358 VanDerWaalsContact O-N 3.11Å
359A54.9Low67.4Low16 Ų1674.5 Ų74.513%0.13240%0.398CS..  trans-91.1109174.900000109.8R354 H356 V361R354-A359 HydrophobicContact CB-CB 3.88Å; R354-A359 HydrophobicContact CG-CB 4.47Å; H356-A359 HydrophobicContact CB-CB 4.3Å; H356-A359 WeakPolarHBondContact O-CB 3.15Å; H356-A359 PolarHBondContact O-N 2.84Å; A359-V361 PolarHBondContact O-N 2.61Å
360G53.6Low67.3Low87 Ų8777.8 Ų77.890%0.89742%0.419SS*.SBendtrans-62.2-5.7-178.800000116.5
361V50.7Low67.3Low109 Ų10976.8 Ų76.866%0.66141%0.412SS*.  trans-134.9103.7176.3-175.90000109.9A359A359-V361 PolarHBondContact O-N 2.61Å
362V50.8Low67.4Low96 Ų9677.3 Ų77.358%0.58242%0.415SS*.  trans-97.189.8169-173.80000107.6
363G56.3Low67.8Low10 Ų1080.5 Ų80.510%0.10344%0.437CS..  trans-71.9148.5169.500000111.2C353C353-G363 PolarHBondContact SG-O 2.86Å
364G61.3Low68.8Low30 Ų3081.6 Ų81.631%0.30944%0.444SS..  trans-67.7170.4169.200000112C353 H366 I367C353-G364 VanDerWaalsContact SG-C 3.54Å; G364-H366 PolarHBondContact O-N 2.82Å; G364-I367 PolarHBondContact O-N 3.45Å
365N63.9Low70.6Confident105 Ų10578.7 Ų78.756%0.56144%0.436SS*.THydrogen-bonded Turntrans-56.7-16.2-177.6-67.1-1.4000114.5C353C353-N365 PolarHBondContact SG-N 2.97Å; C353-N365 PolarHBondContact SG-OD1 3.46Å
366H69.7Low72.3Confident163 Ų16376.3 Ų76.376%0.75543%0.432SS*.THydrogen-bonded Turntrans-85-8.5178.757.7-87.9000113.8G364G364-H366 PolarHBondContact O-N 2.82Å
367I77.1Confident74.2Confident71 Ų7175.6 Ų75.636%0.36443%0.431SS..  trans-97117.3178.5-60.9177.5000108.8S352 G364 L369S352-I367 WeakPolarHBondContact CA-O 3.41Å; G364-I367 PolarHBondContact O-N 3.45Å; I367-L369 HydrophobicContact CG2-CD2 4.31Å; I367-L369 HydrophobicContact CG2-CG 4.3Å
368R83.2Confident75.9Confident78 Ų7868.7 Ų68.729%0.29441%0.406SS..EExtended strand (participates in β ladder)trans-106.6120.6174.1-58.9-178.780.6-168.7-8108.7T330 D331 C350 D423T330-R368 PolarHBondContact OG1-NH2 3.39Å; D331-R368 IonicContact OD1-NH2 3.11Å; D331-R368 PolarHBondContact OD1-NH2 3Å; D331-R368 IonicContact OD2-CZ 3.95Å; D331-R368 IonicContact OD2-NH1 2.98Å; D331-R368 IonicContact OD2-NH2 2.66Å; D331-R368 PolarHBondContact OD2-NH2 3.39Å; C350-R368 HydrophobicContact CB-CB 4.23Å; R368-D423 IonicContact CZ-OD2 3.82Å; R368-D423 IonicContact NH1-OD2 3.79Å; R368-D423 PolarHBondContact NH1-OD2 3.3Å
369L89.8Confident77.5Confident72 Ų7268.6 Ų68.638%0.37740%0.4SS..EExtended strand (participates in β ladder)trans-105.8142.4173.8-64.4176000109.9C350 V351 I367 A371 V374C350-L369 CarbonylContact C-O 3.51Å; C350-L369 VanDerWaalsContact CA-O 3.29Å; C350-L369 WeakPolarHBondContact CA-O 3.3Å; V351-L369 HydrophobicContact CG1-CB 4.3Å; V351-L369 PolarHBondContact N-O 3.46Å; V351-L369 PolarHBondContact O-N 2.7Å; I367-L369 HydrophobicContact CG2-CD2 4.31Å; I367-L369 HydrophobicContact CG2-CG 4.3Å; L369-A371 PolarHBondContact O-N 2.8Å; L369-V374 HydrophobicContact CB-CG1 4.07Å; L369-V374 HydrophobicContact CD1-CG1 3.84Å
370P92.4Very high79.4Confident69 Ų6970.8 Ų70.845%0.44841%0.406SS..EExtended strand (participates in β ladder)trans-55.8123.5170.4-24.434.1000110.7L372 S373P370-L372 PolarHBondContact O-N 2.72Å; P370-L372 VanDerWaalsContact O-N 3.13Å; P370-S373 PolarHBondContact O-N 2.9Å; P370-S373 PolarHBondContact O-OG 3.33Å
371A92.4Very high81.2Confident1 Ų166.8 Ų66.81%0.00836%0.363CS..Hα-helixtrans-58-34.5-174.100000112.1V318 L322 S349 L369 V374 A375V318-A371 HydrophobicContact CG1-CB 4.4Å; L322-A371 HydrophobicContact CD1-CB 4Å; S349-A371 WeakPolarHBondContact O-CB 3.41Å; S349-A371 PolarHBondContact O-N 3.44Å; S349-A371 VanDerWaalsContact OG-CB 3.29Å; S349-A371 WeakPolarHBondContact OG-CB 3.47Å; L369-A371 PolarHBondContact O-N 2.8Å; A371-V374 VanDerWaalsContact O-CG2 3.27Å; A371-V374 WeakPolarHBondContact O-CG2 3.39Å; A371-A375 PolarHBondContact O-N 3.32Å
372L93Very high83.1Confident18 Ų1867.7 Ų67.79%0.09436%0.355CS..Hα-helixtrans-74.8-24.1179.3-64.1173.8000113.9L346 P370 V374 P378 L381 R382L346-L372 HydrophobicContact CB-CD1 4.03Å; L346-L372 HydrophobicContact CB-CD2 4.09Å; L346-L372 HydrophobicContact CB-CG 4.13Å; L346-L372 HydrophobicContact CD1-CD2 4.31Å; L346-L372 WeakPolarHBondContact O-CD1 3.16Å; P370-L372 PolarHBondContact O-N 2.72Å; P370-L372 VanDerWaalsContact O-N 3.13Å; L372-V374 VanDerWaalsContact C-N 3.31Å; L372-P378 HydrophobicContact CB-CB 4.44Å; L372-P378 HydrophobicContact CD2-CB 4.29Å; L372-P378 WeakPolarHBondContact O-CB 3.4Å; L372-L381 HydrophobicContact CD2-CB 3.99Å; L372-L381 HydrophobicContact CD2-CD1 4.04Å; L372-R382 HydrophobicContact CD1-CG 4.21Å; L372-R382 HydrophobicContact CD2-CG 4.12Å
373S91.2Very high84.8Confident85 Ų8569.3 Ų69.359%0.59435%0.354SS*.Hα-helixtrans-77.5-21.8178.167.70000112.4P370P370-S373 PolarHBondContact O-N 2.9Å; P370-S373 PolarHBondContact O-OG 3.33Å
374V88.9Confident86.4Confident32 Ų3273.5 Ų73.519%0.19437%0.371CS..Hα-helixtrans-100.8-8.9179.6-59.80000113.3L322 V351 R354 L369 A371 L372L322-V374 HydrophobicContact CD1-CG2 4.23Å; L322-V374 HydrophobicContact CD2-CG2 4.09Å; V351-V374 HydrophobicContact CG1-CG2 3.75Å; R354-V374 PolarHBondContact NH2-O 2.95Å; L369-V374 HydrophobicContact CB-CG1 4.07Å; L369-V374 HydrophobicContact CD1-CG1 3.84Å; A371-V374 VanDerWaalsContact O-CG2 3.27Å; A371-V374 WeakPolarHBondContact O-CG2 3.39Å; L372-V374 VanDerWaalsContact C-N 3.31Å
375A91.2Very high87.8Confident14 Ų1472.2 Ų72.212%0.11636%0.357CS..  trans-67.9137.8-179.100000112L322 A371 N377 P378 L381L322-A375 VanDerWaalsContact CD2-CA 3.48Å; L322-A375 HydrophobicContact CD2-CB 3.77Å; A371-A375 PolarHBondContact O-N 3.32Å; A375-N377 VanDerWaalsContact C-N 3.26Å; A375-N377 PolarHBondContact O-N 2.84Å; A375-P378 HydrophobicContact CB-CB 4.23Å; A375-L381 HydrophobicContact CB-CD1 3.5Å; A375-L381 VanDerWaalsContact CB-CD1 3.5Å
376E89.6Confident88.8Confident134 Ų13468 Ų6863%0.62634%0.335SS*.SBendtrans-63.7-35.7171.1-65.7173.4-165.900110.4K323K323-E376 IonicContact NZ-OE1 2.83Å; K323-E376 PolarHBondContact NZ-OE1 2.67Å; K323-E376 IonicContact NZ-OE2 3.97Å
377N93.4Very high89.6Confident73 Ų7362.5 Ų62.539%0.3931%0.314SS..  trans-13481.8176.2-168.4-15.9000112.3H321 A375 Q379 W380 L381H321-N377 PolarHBondContact NE2-N 2.75Å; A375-N377 VanDerWaalsContact C-N 3.26Å; A375-N377 PolarHBondContact O-N 2.84Å; N377-Q379 VanDerWaalsContact C-N 3.26Å; N377-Q379 PolarHBondContact O-N 2.82Å; N377-Q379 PolarHBondContact OD1-N 3.02Å; N377-W380 HydrophobicContact CB-CB 4.03Å; N377-W380 WeakPolarHBondContact ND2-CB 3.44Å; N377-W380 PolarHBondContact O-N 2.62Å; N377-W380 WeakPolarHBondContact OD1-CB 2.97Å; N377-W380 PolarHBondContact OD1-N 3.34Å; N377-L381 PolarHBondContact O-N 2.82Å
378P92.2Very high89.9Confident42 Ų4262.8 Ų62.827%0.27331%0.314SS..Hα-helixtrans-67.3-25-179.525.7-33.4000113.6L372 A375 R382L372-P378 HydrophobicContact CB-CB 4.44Å; L372-P378 HydrophobicContact CD2-CB 4.29Å; L372-P378 WeakPolarHBondContact O-CB 3.4Å; A375-P378 HydrophobicContact CB-CB 4.23Å; P378-R382 WeakPolarHBondContact O-CG 3.46Å; P378-R382 PolarHBondContact O-N 2.88Å; P378-R382 VanDerWaalsContact O-N 3.16Å
379Q92.4Very high89.8Confident135 Ų13560.1 Ų60.163%0.63131%0.305SS*.Hα-helixtrans-70.9-41.8177.9-65.3-173.39.200111.4N377 R382 K383N377-Q379 VanDerWaalsContact C-N 3.26Å; N377-Q379 PolarHBondContact O-N 2.82Å; N377-Q379 PolarHBondContact OD1-N 3.02Å; Q379-R382 PolarHBondContact O-N 3.16Å; Q379-K383 WeakPolarHBondContact O-CB 3.31Å; Q379-K383 PolarHBondContact O-N 2.92Å
380W93.8Very high89.2Confident63 Ų6360.9 Ų60.924%0.23930%0.303CS..Hα-helixtrans-60.3-46.3174.1179.186.7000111.6H321 N377 R382 K383 E384 L385 E388H321-W380 HydrophobicContact CB-CZ3 4.25Å; H321-W380 AromaticContact ND1-CE3 3.98Å; H321-W380 AromaticContact ND1-CZ3 3.95Å; N377-W380 HydrophobicContact CB-CB 4.03Å; N377-W380 WeakPolarHBondContact ND2-CB 3.44Å; N377-W380 PolarHBondContact O-N 2.62Å; N377-W380 WeakPolarHBondContact OD1-CB 2.97Å; N377-W380 PolarHBondContact OD1-N 3.34Å; W380-R382 VanDerWaalsContact C-N 3.27Å; W380-R382 PolarHBondContact O-N 3.38Å; W380-K383 PolarHBondContact O-N 3.02Å; W380-E384 HydrophobicContact CG-CB 4.23Å; W380-E384 PolarHBondContact NE1-OE2 3.37Å; W380-E384 PolarHBondContact O-N 3.16Å; W380-L385 HydrophobicContact CH2-CD1 3.79Å; W380-L385 HydrophobicContact CZ3-CB 4.49Å; W380-L385 HydrophobicContact CZ3-CD1 4.07Å; W380-L385 PolarHBondContact O-N 2.64Å; W380-L385 VanDerWaalsContact O-N 3.13Å; W380-E388 HydrophobicContact CZ2-CG 4.25Å
381L92.3Very high88.3Confident2 Ų263.6 Ų63.61%0.0131%0.308CS..Hα-helixtrans-56.8-40.6175.7-74.7-179.6000112.6V318 H321 L346 L372 A375 N377 L385V318-L381 HydrophobicContact CG2-CD2 4.32Å; H321-L381 HydrophobicContact CB-CD2 4.04Å; L346-L381 HydrophobicContact CD1-CB 3.89Å; L372-L381 HydrophobicContact CD2-CB 3.99Å; L372-L381 HydrophobicContact CD2-CD1 4.04Å; A375-L381 HydrophobicContact CB-CD1 3.5Å; A375-L381 VanDerWaalsContact CB-CD1 3.5Å; N377-L381 PolarHBondContact O-N 2.82Å; L381-L385 HydrophobicContact CD2-CD2 3.98Å; L381-L385 VanDerWaalsContact O-CB 3.29Å; L381-L385 WeakPolarHBondContact O-CB 3.22Å
382R89.2Confident87.1Confident129 Ų12966.1 Ų66.149%0.48733%0.329SS..Hα-helixtrans-74.1-41.3-179.6-76.5178.1173.3152.42.7113.5L372 P378 Q379 W380L372-R382 HydrophobicContact CD1-CG 4.21Å; L372-R382 HydrophobicContact CD2-CG 4.12Å; P378-R382 WeakPolarHBondContact O-CG 3.46Å; P378-R382 PolarHBondContact O-N 2.88Å; P378-R382 VanDerWaalsContact O-N 3.16Å; Q379-R382 PolarHBondContact O-N 3.16Å; W380-R382 VanDerWaalsContact C-N 3.27Å; W380-R382 PolarHBondContact O-N 3.38Å
383K87.8Confident85.3Confident129 Ų12970.4 Ų70.456%0.56135%0.352SS*.Hα-helixtrans-104.4-33.4-165.7-65.3-174.2177-177.10114.1Q379 W380Q379-K383 WeakPolarHBondContact O-CB 3.31Å; Q379-K383 PolarHBondContact O-N 2.92Å; W380-K383 PolarHBondContact O-N 3.02Å
384E90Very high83.8Confident99 Ų9967.5 Ų67.546%0.46333%0.332SS..THydrogen-bonded Turntrans-111.5-29.2-166.8-66.8177.9-136.500112.8W380 L386 S387 E388W380-E384 HydrophobicContact CG-CB 4.23Å; W380-E384 PolarHBondContact NE1-OE2 3.37Å; W380-E384 PolarHBondContact O-N 3.16Å; E384-L386 VanDerWaalsContact C-N 3.33Å; E384-L386 PolarHBondContact O-N 2.96Å; E384-S387 WeakPolarHBondContact O-CA 3.46Å; E384-S387 WeakPolarHBondContact O-CB 3.21Å; E384-S387 PolarHBondContact O-N 3.17Å; E384-E388 PolarHBondContact O-N 2.72Å
385L90.3Very high82.5Confident3 Ų372.7 Ų72.72%0.01636%0.363CS..Hα-helixtrans-51.4-47.8-174.9175.458.8000113.4A317 V318 L344 L346 W380 L381 S387 E388 L389A317-L385 HydrophobicContact CB-CD1 3.58Å; V318-L385 HydrophobicContact CG2-CD2 3.72Å; L344-L385 HydrophobicContact CD2-CB 4.46Å; L344-L385 HydrophobicContact CD2-CD2 3.56Å; L344-L385 HydrophobicContact CD2-CG 3.92Å; L346-L385 HydrophobicContact CD1-CD2 4.16Å; W380-L385 HydrophobicContact CH2-CD1 3.79Å; W380-L385 HydrophobicContact CZ3-CB 4.49Å; W380-L385 HydrophobicContact CZ3-CD1 4.07Å; W380-L385 PolarHBondContact O-N 2.64Å; W380-L385 VanDerWaalsContact O-N 3.13Å; L381-L385 HydrophobicContact CD2-CD2 3.98Å; L381-L385 VanDerWaalsContact O-CB 3.29Å; L381-L385 WeakPolarHBondContact O-CB 3.22Å; L385-S387 VanDerWaalsContact C-N 3.32Å; L385-S387 PolarHBondContact O-N 3.43Å; L385-E388 PolarHBondContact O-N 3.12Å; L385-L389 HydrophobicContact CD1-CD1 4.24Å; L385-L389 HydrophobicContact CD1-CG 4.17Å; L385-L389 HydrophobicContact CG-CD1 4.19Å; L385-L389 WeakPolarHBondContact O-CG 3.33Å; L385-L389 PolarHBondContact O-N 2.76Å
386L85.7Confident81.6Confident17 Ų1778.7 Ų78.79%0.08938%0.383CS..Hα-helixtrans-65.9-35.3179.9-176.661.3000112.4V342 L344 E384 R390V342-L386 HydrophobicContact CG2-CD1 4.46Å; V342-L386 HydrophobicContact CG2-CD2 4.49Å; V342-L386 VanDerWaalsContact O-CD2 3.28Å; V342-L386 WeakPolarHBondContact O-CD2 3.18Å; L344-L386 HydrophobicContact CB-CB 4.25Å; L344-L386 HydrophobicContact CB-CD2 4.28Å; E384-L386 VanDerWaalsContact C-N 3.33Å; E384-L386 PolarHBondContact O-N 2.96Å; L386-R390 WeakPolarHBondContact O-CG 3.29Å; L386-R390 PolarHBondContact O-N 3.3Å
387S84.9Confident80.7Confident46 Ų4677.4 Ų77.432%0.32238%0.376SS..Hα-helixtrans-65.6-43.1174.2165.40000110.8E384 L385 R390 K391E384-S387 WeakPolarHBondContact O-CA 3.46Å; E384-S387 WeakPolarHBondContact O-CB 3.21Å; E384-S387 PolarHBondContact O-N 3.17Å; L385-S387 VanDerWaalsContact C-N 3.32Å; L385-S387 PolarHBondContact O-N 3.43Å; S387-R390 WeakPolarHBondContact O-CB 3.29Å; S387-R390 PolarHBondContact O-N 3.27Å; S387-R390 VanDerWaalsContact O-N 3.13Å; S387-K391 WeakPolarHBondContact O-CG 3.4Å; S387-K391 PolarHBondContact O-N 3.14Å; S387-K391 WeakPolarHBondContact OG-CE 3.45Å
388E83.6Confident79.6Confident77 Ų7777 Ų7736%0.3638%0.377SS..Hα-helixtrans-66.6-39177.1-67.4-53.9115.500112.1W380 E384 L385 R390 K391 A392W380-E388 HydrophobicContact CZ2-CG 4.25Å; E384-E388 PolarHBondContact O-N 2.72Å; L385-E388 PolarHBondContact O-N 3.12Å; E388-R390 PolarHBondContact O-N 2.78Å; E388-K391 PolarHBondContact O-N 2.88Å; E388-K391 IonicContact OE1-NZ 2.81Å; E388-K391 PolarHBondContact OE1-NZ 3.06Å; E388-A392 WeakPolarHBondContact O-CB 3.46Å; E388-A392 PolarHBondContact O-N 3.13Å
389L82.1Confident78.6Confident22 Ų2280.2 Ų80.212%0.11539%0.388CS..Hα-helixtrans-60.5-34.9170.7-72.8174.3000112F275 A314 A317 L385F275-L389 VanDerWaalsContact CD2-O 3.27Å; F275-L389 WeakPolarHBondContact CD2-O 3.27Å; F275-L389 HydrophobicContact CZ-CB 4.34Å; A314-L389 HydrophobicContact CB-CD1 4.31Å; A317-L389 HydrophobicContact CB-CD2 3.92Å; L385-L389 HydrophobicContact CD1-CD1 4.24Å; L385-L389 HydrophobicContact CD1-CG 4.17Å; L385-L389 HydrophobicContact CG-CD1 4.19Å; L385-L389 WeakPolarHBondContact O-CG 3.33Å; L385-L389 PolarHBondContact O-N 2.76Å
390R76.9Confident77.9Confident89 Ų8981 Ų8134%0.33639%0.386SS..Hα-helixtrans-71.8-37.1176.6-75.3173.8-178.2151.14.9113.9F275 V342 L386 S387 E388 A392F275-R390 HydrophobicContact CB-CB 4.3Å; F275-R390 HydrophobicContact CB-CG 4.25Å; F275-R390 HydrophobicContact CD1-CG 4.11Å; V342-R390 PolarHBondContact O-NH2 3.47Å; L386-R390 WeakPolarHBondContact O-CG 3.29Å; L386-R390 PolarHBondContact O-N 3.3Å; S387-R390 WeakPolarHBondContact O-CB 3.29Å; S387-R390 PolarHBondContact O-N 3.27Å; S387-R390 VanDerWaalsContact O-N 3.13Å; E388-R390 PolarHBondContact O-N 2.78Å; R390-A392 VanDerWaalsContact C-N 3.35Å
391K72.6Confident77.2Confident126 Ų12678.3 Ų78.355%0.54838%0.377SS..Hα-helixtrans-79.4-18178.3-67.3175.2-165162.70113.4S387 E388 N393S387-K391 WeakPolarHBondContact O-CG 3.4Å; S387-K391 PolarHBondContact O-N 3.14Å; S387-K391 WeakPolarHBondContact OG-CE 3.45Å; E388-K391 PolarHBondContact O-N 2.88Å; E388-K391 IonicContact OE1-NZ 2.81Å; E388-K391 PolarHBondContact OE1-NZ 3.06Å; K391-N393 PolarHBondContact O-N 2.66Å
392A67.1Low76.8Confident54 Ų5478.2 Ų78.245%0.44638%0.377SS..  trans-64.978.9172.500000108.7E388 R390 S394E388-A392 WeakPolarHBondContact O-CB 3.46Å; E388-A392 PolarHBondContact O-N 3.13Å; R390-A392 VanDerWaalsContact C-N 3.35Å; A392-S394 PolarHBondContact O-N 3.2Å
393N56Low76.6Confident108 Ų10877.1 Ų77.158%0.57838%0.38SS*.  trans-56.4105.3172.2-72.2-24.2000106.6K391 T395K391-N393 PolarHBondContact O-N 2.66Å; N393-T395 PolarHBondContact O-N 2.86Å
394S60Low76.6Confident24 Ų2473.1 Ų73.117%0.16836%0.364CS..  trans-75.6102.4177.8-174.30000108.7D273 A392 R396D273-S394 VanDerWaalsContact O-CB 3.24Å; D273-S394 WeakPolarHBondContact O-CB 3.48Å; D273-S394 WeakPolarHBondContact OD2-CB 3.3Å; D273-S394 PolarHBondContact OD2-OG 3.26Å; A392-S394 PolarHBondContact O-N 3.2Å; S394-R396 PolarHBondContact O-N 2.95Å; S394-R396 WeakPolarHBondContact OG-CB 3.47Å; S394-R396 WeakPolarHBondContact OG-CD 3.4Å; S394-R396 WeakPolarHBondContact OG-CG 3.5Å; S394-R396 PolarHBondContact OG-N 3.17Å; S394-R396 PolarHBondContact OG-NH1 2.84Å
395T62Low76.6Confident140 Ų14069.5 Ų69.586%0.85935%0.346SS*.  trans-7712.4162.153.10000111.5N393N393-T395 PolarHBondContact O-N 2.86Å
396R71.9Confident76.6Confident140 Ų14069.7 Ų69.753%0.52835%0.347SS..  trans-66.8144.2-179.5-63.5177.5-164.3117.61109.5D273 S394 I401D273-R396 IonicContact OD1-NH1 2.81Å; D273-R396 IonicContact OD2-CZ 2.67Å; D273-R396 IonicContact OD2-NH1 3.75Å; D273-R396 PolarHBondContact OD2-NH1 3.03Å; S394-R396 PolarHBondContact O-N 2.95Å; S394-R396 WeakPolarHBondContact OG-CB 3.47Å; S394-R396 WeakPolarHBondContact OG-CD 3.4Å; S394-R396 WeakPolarHBondContact OG-CG 3.5Å; S394-R396 PolarHBondContact OG-N 3.17Å; S394-R396 PolarHBondContact OG-NH1 2.84Å; R396-I401 HydrophobicContact CB-CD1 3.97Å; R396-I401 HydrophobicContact CB-CG1 3.99Å
397K70.1Confident76.9Confident108 Ų10872.4 Ų72.447%0.4736%0.362SS..  trans-65.6143.9173.4-61.3-172.3179.9179.90110.7E399 Y400 I401K397-E399 HydrophobicContact CB-CG 4.11Å; K397-E399 WeakPolarHBondContact CD-OE1 3.44Å; K397-E399 IonicContact NZ-OE1 2.93Å; K397-E399 PolarHBondContact O-N 2.95Å; K397-Y400 HydrophobicContact CB-CD2 3.91Å; K397-Y400 HydrophobicContact CB-CE2 4.13Å; K397-Y400 HydrophobicContact CD-CE2 3.9Å; K397-Y400 HydrophobicContact CG-CD2 4.36Å; K397-Y400 HydrophobicContact CG-CE2 4.17Å; K397-Y400 PolarHBondContact O-N 3.18Å; K397-I401 WeakPolarHBondContact O-CD1 3.38Å; K397-I401 PolarHBondContact O-N 3.13Å
398P70.2Confident77.3Confident65 Ų6570.2 Ų70.242%0.42235%0.347SS..Hα-helixtrans-51.5-39.9178-27.935.7000113.7F143 Y400 I401 G402F143-P398 HydrophobicContact CE2-CB 4.37Å; P398-Y400 VanDerWaalsContact C-N 3.34Å; P398-Y400 PolarHBondContact O-N 3.13Å; P398-I401 WeakPolarHBondContact O-CB 3.28Å; P398-I401 PolarHBondContact O-N 2.85Å; P398-I401 VanDerWaalsContact O-N 3.11Å; P398-G402 PolarHBondContact O-N 3.13Å
399E71.2Confident77.8Confident109 Ų10966.5 Ų66.551%0.50933%0.329SS..Hα-helixtrans-58.4-40.2-179.463.1-115.5-147.100113.5K397 I401 G402K397-E399 HydrophobicContact CB-CG 4.11Å; K397-E399 WeakPolarHBondContact CD-OE1 3.44Å; K397-E399 IonicContact NZ-OE1 2.93Å; K397-E399 PolarHBondContact O-N 2.95Å; E399-I401 VanDerWaalsContact C-N 3.31Å; E399-I401 PolarHBondContact O-N 3.3Å; E399-G402 PolarHBondContact O-N 3.28Å
400Y79Confident78.4Confident150 Ų15065.6 Ų65.659%0.58832%0.324SS*.Hα-helixtrans-75.9-24179.9-56.3-40.3000112.8K397 P398 G402K397-Y400 HydrophobicContact CB-CD2 3.91Å; K397-Y400 HydrophobicContact CB-CE2 4.13Å; K397-Y400 HydrophobicContact CD-CE2 3.9Å; K397-Y400 HydrophobicContact CG-CD2 4.36Å; K397-Y400 HydrophobicContact CG-CE2 4.17Å; K397-Y400 PolarHBondContact O-N 3.18Å; P398-Y400 VanDerWaalsContact C-N 3.34Å; P398-Y400 PolarHBondContact O-N 3.13Å; Y400-G402 VanDerWaalsContact C-N 3.34Å
401I78.7Confident79.2Confident7 Ų763 Ų634%0.03632%0.317CS..Hα-helixtrans-74.2-34.2174.7-62.9154.5000109.7I270 D273 R396 K397 P398 E399 L403 L404 Y405I270-I401 WeakPolarHBondContact O-CG2 3.5Å; D273-I401 HydrophobicContact CB-CD1 3.25Å; D273-I401 HydrophobicContact CB-CG1 3.82Å; D273-I401 HydrophobicContact CB-CG2 4.14Å; D273-I401 WeakPolarHBondContact OD2-CD1 3.33Å; D273-I401 WeakPolarHBondContact OD2-CG1 3.18Å; R396-I401 HydrophobicContact CB-CD1 3.97Å; R396-I401 HydrophobicContact CB-CG1 3.99Å; K397-I401 WeakPolarHBondContact O-CD1 3.38Å; K397-I401 PolarHBondContact O-N 3.13Å; P398-I401 WeakPolarHBondContact O-CB 3.28Å; P398-I401 PolarHBondContact O-N 2.85Å; P398-I401 VanDerWaalsContact O-N 3.11Å; E399-I401 VanDerWaalsContact C-N 3.31Å; E399-I401 PolarHBondContact O-N 3.3Å; I401-L403 PolarHBondContact O-N 3.2Å; I401-L404 WeakPolarHBondContact O-CB 3.33Å; I401-L404 PolarHBondContact O-N 2.79Å; I401-L404 VanDerWaalsContact O-N 3.14Å; I401-Y405 HydrophobicContact CG2-CD2 3.68Å; I401-Y405 HydrophobicContact CG2-CE2 3.67Å; I401-Y405 PolarHBondContact O-N 3.24Å
402G82.6Confident80.2Confident1 Ų157.2 Ų57.21%0.0129%0.292CS..Hα-helixtrans-46.7-56.7172.500000112.7P398 E399 Y400 L404 Y405 E406P398-G402 PolarHBondContact O-N 3.13Å; E399-G402 PolarHBondContact O-N 3.28Å; Y400-G402 VanDerWaalsContact C-N 3.34Å; G402-L404 VanDerWaalsContact C-N 3.27Å; G402-L404 PolarHBondContact O-N 2.88Å; G402-L404 VanDerWaalsContact O-N 3.13Å; G402-Y405 PolarHBondContact O-N 3.19Å; G402-E406 WeakPolarHBondContact O-CG 3.48Å; G402-E406 PolarHBondContact O-N 2.84Å
403L86.7Confident81.4Confident106 Ų10654.8 Ų54.856%0.55527%0.271SS*.Hα-helixtrans-50.1-43.5178.3179.463.8000113.5I401 N407I401-L403 PolarHBondContact O-N 3.2Å; L403-N407 VanDerWaalsContact O-CB 3.26Å; L403-N407 WeakPolarHBondContact O-CB 3.42Å; L403-N407 PolarHBondContact O-N 3.4Å
404L87.6Confident83.1Confident44 Ų4452.9 Ų52.923%0.2326%0.258CS..Hα-helixtrans-65-45.6178.317265.8000111.5L312 R313 I401 G402 A408L312-L404 HydrophobicContact CB-CD1 3.88Å; L312-L404 HydrophobicContact CD1-CD1 3.87Å; R313-L404 HydrophobicContact CG-CD2 3.88Å; R313-L404 VanDerWaalsContact NE-CD2 3.28Å; I401-L404 WeakPolarHBondContact O-CB 3.33Å; I401-L404 PolarHBondContact O-N 2.79Å; I401-L404 VanDerWaalsContact O-N 3.14Å; G402-L404 VanDerWaalsContact C-N 3.27Å; G402-L404 PolarHBondContact O-N 2.88Å; G402-L404 VanDerWaalsContact O-N 3.13Å; L404-A408 WeakPolarHBondContact O-CB 3.27Å; L404-A408 PolarHBondContact O-N 2.81Å
405Y88.5Confident84.5Confident23 Ų2352.4 Ų52.49%0.0925%0.253CS..Hα-helixtrans-69.8-42-178.2-89.8-96.7000112.1N269 I270 P309 I401 G402 A408 M409N269-Y405 WeakPolarHBondContact O-CE1 3.46Å; N269-Y405 VanDerWaalsContact O-CZ 3.3Å; N269-Y405 PolarHBondContact O-OH 3.23Å; N269-Y405 VanDerWaalsContact O-OH 3.14Å; I270-Y405 HydrophobicContact CB-CD1 4.22Å; I270-Y405 HydrophobicContact CB-CD2 4.29Å; I270-Y405 HydrophobicContact CB-CG 3.99Å; I270-Y405 HydrophobicContact CG1-CD1 3.8Å; I270-Y405 HydrophobicContact CG1-CG 3.83Å; I270-Y405 HydrophobicContact CG2-CD1 4.49Å; I270-Y405 HydrophobicContact CG2-CD2 3.81Å; I270-Y405 HydrophobicContact CG2-CG 3.76Å; I270-Y405 WeakPolarHBondContact O-CE2 3.28Å; P309-Y405 HydrophobicContact CB-CD1 4.03Å; P309-Y405 HydrophobicContact CB-CD2 4.38Å; P309-Y405 HydrophobicContact CB-CE1 3.83Å; P309-Y405 HydrophobicContact CB-CE2 4.24Å; P309-Y405 HydrophobicContact CB-CG 4.3Å; P309-Y405 HydrophobicContact CG-CD1 3.45Å; P309-Y405 VanDerWaalsContact CG-CD1 3.45Å; P309-Y405 HydrophobicContact CG-CE1 3.53Å; P309-Y405 HydrophobicContact CG-CG 4.03Å; I401-Y405 HydrophobicContact CG2-CD2 3.68Å; I401-Y405 HydrophobicContact CG2-CE2 3.67Å; I401-Y405 PolarHBondContact O-N 3.24Å; G402-Y405 PolarHBondContact O-N 3.19Å; Y405-A408 WeakPolarHBondContact O-CB 3.4Å; Y405-A408 PolarHBondContact O-N 2.97Å; Y405-M409 WeakPolarHBondContact O-CG 3.4Å; Y405-M409 PolarHBondContact O-N 3.31Å
406E91.9Very high85.8Confident7 Ų745.7 Ų45.73%0.03321%0.212CC..Hα-helixtrans-61.8-46.9176.2-69.7-179.7-92.900111.1I145 S146 D147 F148 G402 A408 M409 T410I145-E406 WeakPolarHBondContact CA-OE2 3.39Å; S146-E406 PolarHBondContact N-OE2 2.94Å; D147-E406 WeakPolarHBondContact CA-OE2 3.48Å; D147-E406 WeakPolarHBondContact CB-OE2 3.36Å; D147-E406 PolarHBondContact N-OE2 3.38Å; F148-E406 HydrophobicContact CB-CB 3.94Å; F148-E406 HydrophobicContact CB-CG 3.92Å; F148-E406 PolarHBondContact N-OE2 3.36Å; G402-E406 WeakPolarHBondContact O-CG 3.48Å; G402-E406 PolarHBondContact O-N 2.84Å; E406-A408 VanDerWaalsContact C-N 3.31Å; E406-A408 PolarHBondContact O-N 2.92Å; E406-M409 HydrophobicContact CB-CE 4.43Å; E406-M409 HydrophobicContact CG-CE 4.05Å; E406-M409 PolarHBondContact O-N 3.47Å; E406-T410 PolarHBondContact O-N 2.96Å; E406-T410 PolarHBondContact O-OG1 3.05Å
407N92.2Very high86.5Confident74 Ų7440.2 Ų40.240%0.39619%0.191SC..Hα-helixtrans-60.2-41.5172.2-179.878.8000111.8L403 M409 T410 E411L403-N407 VanDerWaalsContact O-CB 3.26Å; L403-N407 WeakPolarHBondContact O-CB 3.42Å; L403-N407 PolarHBondContact O-N 3.4Å; N407-M409 VanDerWaalsContact C-N 3.35Å; N407-M409 PolarHBondContact O-N 3.31Å; N407-T410 PolarHBondContact O-N 2.85Å; N407-E411 PolarHBondContact ND2-OE2 3.43Å; N407-E411 WeakPolarHBondContact O-CB 3.44Å; N407-E411 PolarHBondContact O-N 2.9Å
408A93.3Very high86.9Confident0 Ų037.1 Ų37.10%018%0.179CC..Hα-helixtrans-64.3-37.7179.100000112.9K308 P309 L312 L404 Y405 E406 C412K308-A408 HydrophobicContact CB-CB 3.89Å; K308-A408 HydrophobicContact CG-CB 3.91Å; K308-A408 WeakPolarHBondContact CG-O 3.44Å; P309-A408 HydrophobicContact CB-CB 4.31Å; P309-A408 HydrophobicContact CG-CB 3.65Å; L312-A408 HydrophobicContact CD1-CB 3.88Å; L404-A408 WeakPolarHBondContact O-CB 3.27Å; L404-A408 PolarHBondContact O-N 2.81Å; Y405-A408 WeakPolarHBondContact O-CB 3.4Å; Y405-A408 PolarHBondContact O-N 2.97Å; E406-A408 VanDerWaalsContact C-N 3.31Å; E406-A408 PolarHBondContact O-N 2.92Å; A408-C412 WeakPolarHBondContact O-CB 3.38Å; A408-C412 PolarHBondContact O-N 3.29Å
409M94.1Very high86.6Confident0 Ų034.3 Ų34.30%016%0.162CC..Hα-helixtrans-64.4-48.9172.5-72.5-174.1-69.100110.8F148 L214 A267 I270 L306 Y405 E406 N407 E411 C412 L413F148-M409 HydrophobicContact CB-CE 4.15Å; F148-M409 HydrophobicContact CD1-CE 4.23Å; F148-M409 HydrophobicContact CD2-CB 3.69Å; F148-M409 HydrophobicContact CD2-CE 4.21Å; F148-M409 HydrophobicContact CE2-CB 3.51Å; F148-M409 HydrophobicContact CG-CE 3.94Å; F148-M409 HydrophobicContact CZ-CB 4.24Å; F148-M409 HydrophobicContact CZ-SD 4.47Å; L214-M409 HydrophobicContact CD2-CE 4.36Å; L214-M409 HydrophobicContact CD2-SD 3.76Å; A267-M409 HydrophobicContact CB-CG 4.06Å; A267-M409 HydrophobicContact CB-SD 3.53Å; A267-M409 VanDerWaalsContact CB-SD 3.53Å; I270-M409 HydrophobicContact CD1-CE 4.2Å; L306-M409 HydrophobicContact CD2-CG 3.59Å; Y405-M409 WeakPolarHBondContact O-CG 3.4Å; Y405-M409 PolarHBondContact O-N 3.31Å; E406-M409 HydrophobicContact CB-CE 4.43Å; E406-M409 HydrophobicContact CG-CE 4.05Å; E406-M409 PolarHBondContact O-N 3.47Å; N407-M409 VanDerWaalsContact C-N 3.35Å; N407-M409 PolarHBondContact O-N 3.31Å; M409-E411 PolarHBondContact O-N 2.69Å; M409-C412 PolarHBondContact O-N 2.89Å; M409-L413 WeakPolarHBondContact O-CG 3.25Å; M409-L413 PolarHBondContact O-N 2.84Å
410T94.4Very high86.1Confident2 Ų234.4 Ų34.41%0.01217%0.165CC..Hα-helixtrans-57.9-47.8177.1-62.90000111.6N151 V157 E406 N407 L413 K414N151-T410 HydrophobicContact CB-CG2 3.94Å; N151-T410 PolarHBondContact ND2-OG1 2.66Å; V157-T410 HydrophobicContact CG2-CG2 3.9Å; E406-T410 PolarHBondContact O-N 2.96Å; E406-T410 PolarHBondContact O-OG1 3.05Å; N407-T410 PolarHBondContact O-N 2.85Å; T410-L413 PolarHBondContact O-N 3.08Å; T410-K414 HydrophobicContact CG2-CD 4.02Å; T410-K414 WeakPolarHBondContact O-CB 3.27Å; T410-K414 VanDerWaalsContact O-CG 3.31Å; T410-K414 WeakPolarHBondContact O-CG 3.29Å; T410-K414 PolarHBondContact O-N 2.79Å
411E92.5Very high85Confident36 Ų3635.6 Ų35.617%0.16818%0.176CC..Hα-helixtrans-64.8-44.7179.7-168.5175.6161.700111.3K308 L312 R315 N407 M409 L413 K414 E415K308-E411 IonicContact NZ-OE1 3.76Å; L312-E411 WeakPolarHBondContact CD2-OE2 3.42Å; R315-E411 IonicContact CZ-OE1 2.76Å; R315-E411 IonicContact NH1-OE1 3.26Å; R315-E411 PolarHBondContact NH1-OE1 3.36Å; N407-E411 PolarHBondContact ND2-OE2 3.43Å; N407-E411 WeakPolarHBondContact O-CB 3.44Å; N407-E411 PolarHBondContact O-N 2.9Å; M409-E411 PolarHBondContact O-N 2.69Å; E411-L413 PolarHBondContact O-N 3.27Å; E411-K414 PolarHBondContact O-N 3.05Å; E411-E415 WeakPolarHBondContact O-CB 3.37Å; E411-E415 VanDerWaalsContact O-CG 3.27Å; E411-E415 WeakPolarHBondContact O-CG 3.44Å; E411-E415 PolarHBondContact O-N 3.13Å
412C93.8Very high84.2Confident4 Ų437.9 Ų37.93%0.02719%0.189CC..Hα-helixtrans-59.6-45.3176.1178.40000112.1L306 K308 A408 M409 E415 C416L306-C412 HydrophobicContact CD1-CB 3.49Å; L306-C412 VanDerWaalsContact CD1-CB 3.49Å; K308-C412 HydrophobicContact CB-CB 4.29Å; A408-C412 WeakPolarHBondContact O-CB 3.38Å; A408-C412 PolarHBondContact O-N 3.29Å; M409-C412 PolarHBondContact O-N 2.89Å; C412-E415 PolarHBondContact O-N 2.72Å; C412-C416 VanDerWaalsContact O-CB 3.3Å; C412-C416 WeakPolarHBondContact O-CB 3.26Å; C412-C416 PolarHBondContact O-N 3.38Å; C412-C416 PolarHBondContact O-SG 3.27Å
413L93.3Very high83.7Confident2 Ų240.9 Ų40.91%0.0121%0.205CC..Hα-helixtrans-68.3-42.7177.6-68177.7000111.7F148 I152 V157 F158 I212 L265 M409 T410 E411 E415 C416 W417 N418F148-L413 HydrophobicContact CE2-CD1 3.87Å; F148-L413 HydrophobicContact CZ-CD1 3.91Å; I152-L413 HydrophobicContact CD1-CD1 4.08Å; V157-L413 HydrophobicContact CG1-CB 3.38Å; V157-L413 HydrophobicContact CG1-CD1 4.13Å; V157-L413 HydrophobicContact CG1-CG 4.39Å; F158-L413 HydrophobicContact CZ-CD1 4.33Å; I212-L413 HydrophobicContact CD1-CD1 4.43Å; L265-L413 HydrophobicContact CD2-CD1 4.49Å; L265-L413 HydrophobicContact CD2-CD2 3.82Å; L265-L413 HydrophobicContact CD2-CG 4.02Å; M409-L413 WeakPolarHBondContact O-CG 3.25Å; M409-L413 PolarHBondContact O-N 2.84Å; T410-L413 PolarHBondContact O-N 3.08Å; E411-L413 PolarHBondContact O-N 3.27Å; L413-E415 VanDerWaalsContact C-N 3.29Å; L413-E415 PolarHBondContact O-N 3.28Å; L413-C416 PolarHBondContact O-N 3.09Å; L413-W417 HydrophobicContact CD2-CD2 3.76Å; L413-W417 HydrophobicContact CD2-CE3 3.65Å; L413-W417 HydrophobicContact CD2-CG 4.34Å; L413-W417 HydrophobicContact CD2-CH2 4.17Å; L413-W417 HydrophobicContact CD2-CZ2 4.2Å; L413-W417 HydrophobicContact CD2-CZ3 3.9Å; L413-W417 WeakPolarHBondContact O-CA 3.44Å; L413-W417 WeakPolarHBondContact O-CB 3.43Å; L413-W417 PolarHBondContact O-N 3.41Å; L413-N418 PolarHBondContact O-N 3.22Å
414K90.1Very high82.9Confident69 Ų6940 Ų4030%0.321%0.205SC..Hα-helixtrans-55-48.6173.4-77.8173.6178.9173.30110.8E156 V157 T410 E411 N418E156-K414 VanDerWaalsContact CB-CE 3.46Å; E156-K414 WeakPolarHBondContact O-CE 3.25Å; E156-K414 IonicContact OE2-NZ 3.67Å; E156-K414 PolarHBondContact OE2-NZ 2.71Å; V157-K414 HydrophobicContact CG2-CG 4.23Å; T410-K414 HydrophobicContact CG2-CD 4.02Å; T410-K414 WeakPolarHBondContact O-CB 3.27Å; T410-K414 VanDerWaalsContact O-CG 3.31Å; T410-K414 WeakPolarHBondContact O-CG 3.29Å; T410-K414 PolarHBondContact O-N 2.79Å; E411-K414 PolarHBondContact O-N 3.05Å; K414-N418 CarbonylContact O-C 3.55Å; K414-N418 WeakPolarHBondContact O-CA 3.42Å; K414-N418 PolarHBondContact O-N 2.91Å; K414-N418 VanDerWaalsContact O-N 3.15Å; K414-N418 VanDerWaalsContact O-O 3.12Å
415E89.5Confident82.5Confident13 Ų1343.2 Ų43.26%0.06122%0.223CC..Hα-helixtrans-66-46.1-178.6-70.5175.318000113.5K308 E411 C412 L413 S419 N422 T428 C452K308-E415 WeakPolarHBondContact CE-OE1 3.42Å; K308-E415 WeakPolarHBondContact CE-OE2 3.41Å; K308-E415 IonicContact NZ-OE1 2.79Å; K308-E415 PolarHBondContact NZ-OE1 2.72Å; K308-E415 IonicContact NZ-OE2 2.64Å; K308-E415 PolarHBondContact NZ-OE2 3.21Å; E411-E415 WeakPolarHBondContact O-CB 3.37Å; E411-E415 VanDerWaalsContact O-CG 3.27Å; E411-E415 WeakPolarHBondContact O-CG 3.44Å; E411-E415 PolarHBondContact O-N 3.13Å; C412-E415 PolarHBondContact O-N 2.72Å; L413-E415 VanDerWaalsContact C-N 3.29Å; L413-E415 PolarHBondContact O-N 3.28Å; E415-S419 WeakPolarHBondContact O-CB 3.47Å; E415-S419 PolarHBondContact O-OG 2.97Å; E415-N422 VanDerWaalsContact CA-ND2 3.31Å; E415-N422 WeakPolarHBondContact CA-ND2 3.32Å; E415-N422 VanDerWaalsContact CG-ND2 3.33Å; E415-N422 WeakPolarHBondContact CG-ND2 3.39Å; E415-T428 WeakPolarHBondContact OE2-CB 3.47Å; E415-T428 PolarHBondContact OE2-OG1 3.22Å; E415-C452 WeakPolarHBondContact O-CB 3.4Å
416C90Very high82.5Confident0 Ų044.2 Ų44.20%023%0.228CC..Hα-helixtrans-94.1-30.6-169-54.60000112.7C412 L413 C452 G456 W458C412-C416 VanDerWaalsContact O-CB 3.3Å; C412-C416 WeakPolarHBondContact O-CB 3.26Å; C412-C416 PolarHBondContact O-N 3.38Å; C412-C416 PolarHBondContact O-SG 3.27Å; L413-C416 PolarHBondContact O-N 3.09Å; C416-C452 PolarHBondContact SG-SG 3.23Å; C416-G456 CarbonylContact O-C 3.56Å; C416-G456 WeakPolarHBondContact O-CA 3.49Å; C416-W458 HydrophobicContact CB-CE3 3.87Å; C416-W458 HydrophobicContact CB-CZ3 3.97Å; C416-W458 WeakPolarHBondContact O-CZ3 3.38Å
417W87.3Confident82.5Confident24 Ų2444.6 Ų44.69%0.09123%0.23CC..Hα-helixtrans-96.2-30.6179.8-85.7-121.1000113.4F158 Q210 R263 L265 V304 L413 G456 W458F158-W417 HydrophobicContact CE1-CB 4.33Å; F158-W417 AromaticContact CE1-CD1 3.83Å; F158-W417 HydrophobicContact CE1-CG 4.3Å; Q210-W417 VanDerWaalsContact NE2-NE1 3.13Å; R263-W417 HydrophobicContact CB-CH2 4.43Å; R263-W417 HydrophobicContact CB-CZ2 3.35Å; R263-W417 HydrophobicContact CG-CZ2 4.31Å; L265-W417 HydrophobicContact CB-CH2 4.46Å; V304-W417 HydrophobicContact CG2-CH2 3.69Å; V304-W417 HydrophobicContact CG2-CZ3 4.08Å; L413-W417 HydrophobicContact CD2-CD2 3.76Å; L413-W417 HydrophobicContact CD2-CE3 3.65Å; L413-W417 HydrophobicContact CD2-CG 4.34Å; L413-W417 HydrophobicContact CD2-CH2 4.17Å; L413-W417 HydrophobicContact CD2-CZ2 4.2Å; L413-W417 HydrophobicContact CD2-CZ3 3.9Å; L413-W417 WeakPolarHBondContact O-CA 3.44Å; L413-W417 WeakPolarHBondContact O-CB 3.43Å; L413-W417 PolarHBondContact O-N 3.41Å; W417-G456 WeakPolarHBondContact O-CA 3.38Å; W417-W458 HydrophobicContact CD2-CH2 4.37Å; W417-W458 HydrophobicContact CD2-CZ3 4.27Å; W417-W458 AromaticContact CE3-CH2 3.99Å; W417-W458 HydrophobicContact CE3-CH2 3.99Å; W417-W458 AromaticContact CE3-CZ3 3.87Å; W417-W458 HydrophobicContact CE3-CZ3 3.87Å; W417-W458 AromaticContact CH2-CH2 3.71Å; W417-W458 HydrophobicContact CH2-CH2 3.71Å; W417-W458 HydrophobicContact CH2-CZ2 4.42Å; W417-W458 HydrophobicContact CH2-CZ3 4.42Å; W417-W458 HydrophobicContact CZ2-CH2 4.16Å; W417-W458 AromaticContact CZ3-CH2 3.61Å; W417-W458 HydrophobicContact CZ3-CH2 3.61Å; W417-W458 HydrophobicContact CZ3-CZ2 4.41Å; W417-W458 AromaticContact CZ3-CZ3 3.92Å; W417-W458 HydrophobicContact CZ3-CZ3 3.92Å
418N77.1Confident82.6Confident43 Ų4341.4 Ų41.423%0.2321%0.213CC..  trans-13253.8-173.3-166.68.3000112.3V157 L413 K414 N420V157-N418 WeakPolarHBondContact O-CB 3.22Å; V157-N418 PolarHBondContact O-ND2 3.34Å; L413-N418 PolarHBondContact O-N 3.22Å; K414-N418 CarbonylContact O-C 3.55Å; K414-N418 WeakPolarHBondContact O-CA 3.42Å; K414-N418 PolarHBondContact O-N 2.91Å; K414-N418 VanDerWaalsContact O-N 3.15Å; K414-N418 VanDerWaalsContact O-O 3.12Å; N418-N420 PolarHBondContact O-N 2.9Å
419S64.1Low82.7Confident7 Ų741.4 Ų41.45%0.04921%0.214CC..G310 helixtrans-705.6-172-35.60000115.2E415 Q421 N422 G453E415-S419 WeakPolarHBondContact O-CB 3.47Å; E415-S419 PolarHBondContact O-OG 2.97Å; S419-Q421 PolarHBondContact O-N 3.48Å; S419-N422 PolarHBondContact O-N 2.87Å; S419-G453 WeakPolarHBondContact CB-O 3.35Å; S419-G453 PolarHBondContact OG-O 2.92Å; S419-G453 VanDerWaalsContact OG-O 3.08Å
420N60.8Low82.8Confident110 Ų11041.5 Ų41.559%0.58821%0.214SC*.G310 helixtrans-60.6-16.3-178.5-72.1-16.2000113.2N418N418-N420 PolarHBondContact O-N 2.9Å
421Q56.6Low82.8Confident175 Ų17541.4 Ų41.482%0.81821%0.213SC*.G310 helixtrans-104.9-5.9-177.8-62.6-170.9-0.200114.8S419S419-Q421 PolarHBondContact O-N 3.48Å
422N62.8Low83Confident55 Ų5540.1 Ų40.129%0.29421%0.207SC..SBendtrans-98.8155.8-170.9-71.2-11.2000113.5E415 S419 P424E415-N422 VanDerWaalsContact CA-ND2 3.31Å; E415-N422 WeakPolarHBondContact CA-ND2 3.32Å; E415-N422 VanDerWaalsContact CG-ND2 3.33Å; E415-N422 WeakPolarHBondContact CG-ND2 3.39Å; S419-N422 PolarHBondContact O-N 2.87Å; N422-P424 WeakPolarHBondContact O-CD 3.39Å
423D71.7Confident83.1Confident64 Ų6440.3 Ų40.334%0.34221%0.208SC..  trans-59.3118.4167.5177-3.5000108R368 N425 Q426R368-D423 IonicContact CZ-OD2 3.82Å; R368-D423 IonicContact NH1-OD2 3.79Å; R368-D423 PolarHBondContact NH1-OD2 3.3Å; D423-N425 PolarHBondContact O-N 3.03Å; D423-N425 PolarHBondContact OD1-N 2.95Å; D423-Q426 HydrophobicContact CB-CB 4.19Å; D423-Q426 WeakPolarHBondContact O-CB 3.3Å; D423-Q426 PolarHBondContact O-N 2.68Å
424P69.6Low83.2Confident87 Ų8740.2 Ų40.257%0.56521%0.208SC*.THydrogen-bonded Turntrans-63.6-8.8-17627.3-36.4000113.3N422 I451N422-P424 WeakPolarHBondContact O-CD 3.39Å; P424-I451 WeakPolarHBondContact O-CG2 3.48Å
425N79.3Confident83.4Confident113 Ų11343.9 Ų43.960%0.60422%0.22SC*.THydrogen-bonded Turntrans-105.92.6177-58.7-52.5000113.5D423D423-N425 PolarHBondContact O-N 3.03Å; D423-N425 PolarHBondContact OD1-N 2.95Å
426Q87.4Confident83.5Confident43 Ų4348.1 Ų48.120%0.20124%0.243CC..  trans-72.3133178.5-171.8173.50.900110.9D331 D423D331-Q426 WeakPolarHBondContact OD1-CA 3.21Å; D423-Q426 HydrophobicContact CB-CB 4.19Å; D423-Q426 WeakPolarHBondContact O-CB 3.3Å; D423-Q426 PolarHBondContact O-N 2.68Å
427I92.9Very high83.7Confident16 Ų1650.8 Ų50.88%0.08225%0.253CS..EExtended strand (participates in β ladder)trans-99.5132.5-178.6-56.6175.1000109D331 V333 R348 P449 V450 I451 V461 M464D331-I427 HydrophobicContact CB-CB 4.22Å; D331-I427 PolarHBondContact OD1-N 2.7Å; V333-I427 HydrophobicContact CG2-CG2 3.74Å; R348-I427 HydrophobicContact CB-CD1 4.27Å; R348-I427 HydrophobicContact CG-CD1 4.36Å; I427-P449 HydrophobicContact CG2-CB 3.7Å; I427-V450 WeakPolarHBondContact CA-O 3.31Å; I427-I451 HydrophobicContact CG1-CG1 4.33Å; I427-V461 HydrophobicContact CD1-CG2 4.17Å; I427-V461 HydrophobicContact CG1-CG2 4.11Å; I427-V461 HydrophobicContact CG2-CG2 4.11Å; I427-M464 HydrophobicContact CD1-CE 3.76Å
428T93.8Very high84Confident6 Ų652 Ų524%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-127.2175.8165.9-171.20000109.9K308 E311 E415 P449 V450K308-T428 PolarHBondContact NZ-OG1 3.06Å; E311-T428 PolarHBondContact OE2-OG1 3.01Å; E415-T428 WeakPolarHBondContact OE2-CB 3.47Å; E415-T428 PolarHBondContact OE2-OG1 3.22Å; T428-P449 CarbonylContact O-C 3.55Å; T428-P449 WeakPolarHBondContact O-CA 3.38Å; T428-V450 HydrophobicContact CG2-CG2 3.64Å; T428-V450 PolarHBondContact N-O 3.5Å; T428-V450 PolarHBondContact O-N 2.86Å
429S95.2Very high84.7Confident1 Ų152.7 Ų52.71%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-112.7133179.1-52.50000111.4E311 I334 F448E311-S429 PolarHBondContact OE2-N 2.92Å; I334-S429 PolarHBondContact N-OG 2.79Å; S429-F448 WeakPolarHBondContact CA-O 3.39Å
430L96Very high86Confident1 Ų152.4 Ų52.41%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-130.4143.8173.5-72.6-178.6000111.2V304 M432 S447 F448 V450 W458V304-L430 HydrophobicContact CG1-CD1 4.38Å; L430-M432 HydrophobicContact CB-CG 4.04Å; L430-M432 HydrophobicContact CB-SD 4.4Å; L430-M432 PolarHBondContact O-N 3.07Å; L430-S447 WeakPolarHBondContact O-CA 3.47Å; L430-F448 PolarHBondContact N-O 2.82Å; L430-F448 PolarHBondContact O-N 2.78Å; L430-V450 HydrophobicContact CB-CG1 4.22Å; L430-V450 HydrophobicContact CB-CG2 4.19Å; L430-V450 HydrophobicContact CD1-CG1 4.48Å; L430-V450 HydrophobicContact CD1-CG2 3.81Å; L430-V450 HydrophobicContact CG-CG2 3.76Å; L430-W458 HydrophobicContact CD1-CD2 4.44Å; L430-W458 HydrophobicContact CD1-CG 4.28Å
431V95.7Very high87.5Confident0 Ų049.1 Ų49.10%026%0.258CS..EExtended strand (participates in β ladder)trans-76.4119.2164.41750000108.9T283 C284 V287 V304 G305 V307 L338 A445 F446T283-V431 HydrophobicContact CG2-CG2 4.3Å; C284-V431 HydrophobicContact CB-CG1 4.27Å; C284-V431 VanDerWaalsContact SG-CG1 3.54Å; V287-V431 HydrophobicContact CB-CG1 4.09Å; V287-V431 HydrophobicContact CG1-CG1 4.32Å; V287-V431 HydrophobicContact CG2-CG1 3.77Å; V304-V431 CarbonylContact C-O 3.56Å; V304-V431 VanDerWaalsContact CA-O 3.27Å; V304-V431 WeakPolarHBondContact CA-O 3.35Å; G305-V431 PolarHBondContact N-O 3.02Å; G305-V431 PolarHBondContact O-N 2.96Å; V307-V431 HydrophobicContact CG2-CG2 3.7Å; L338-V431 HydrophobicContact CB-CG2 4.48Å; L338-V431 HydrophobicContact CD1-CG2 3.72Å; L338-V431 HydrophobicContact CD2-CG2 4Å; L338-V431 HydrophobicContact CG-CG2 4.28Å; V431-A445 HydrophobicContact CG1-CB 3.84Å; V431-F446 CarbonylContact C-O 3.56Å; V431-F446 VanDerWaalsContact CA-O 3.32Å; V431-F446 WeakPolarHBondContact CA-O 3.44Å
432M96.3Very high89.3Confident9 Ų947 Ų474%0.04425%0.248CC..EExtended strand (participates in β ladder)trans-135157.7178.9-62.7-177.163.300110.6V304 L430 S434 W437 A445 F446 F448 V450V304-M432 HydrophobicContact CG1-CG 4.14Å; L430-M432 HydrophobicContact CB-CG 4.04Å; L430-M432 HydrophobicContact CB-SD 4.4Å; L430-M432 PolarHBondContact O-N 3.07Å; M432-S434 PolarHBondContact O-N 3.25Å; M432-W437 HydrophobicContact CB-CZ3 4.46Å; M432-W437 HydrophobicContact CE-CH2 4.42Å; M432-A445 CarbonylContact O-C 3.54Å; M432-A445 WeakPolarHBondContact O-CA 3.42Å; M432-F446 PolarHBondContact N-O 3Å; M432-F446 PolarHBondContact O-N 3.39Å; M432-F448 HydrophobicContact CB-CD2 4.22Å; M432-V450 HydrophobicContact SD-CG1 3.66Å
433I95.7Very high90.6Very high8 Ų845.7 Ų45.74%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-70.2121.8171.4-64.1-73.1000109.4V287 H291 P300 W437 A445V287-I433 HydrophobicContact CG1-CD1 4.03Å; V287-I433 HydrophobicContact CG1-CG1 4.08Å; H291-I433 HydrophobicContact CB-CD1 3.45Å; H291-I433 VanDerWaalsContact CB-CD1 3.45Å; H291-I433 HydrophobicContact CB-CG1 3.59Å; H291-I433 VanDerWaalsContact CG-CG1 3.44Å; P300-I433 HydrophobicContact CB-CB 4.22Å; I433-W437 WeakPolarHBondContact O-CZ3 3.25Å; I433-A445 HydrophobicContact CD1-CB 3.87Å
434S95.2Very high91.6Very high0 Ų043.4 Ų43.40%024%0.235CC..  trans-64.4146.9177.9-169.90000112.2M432 D436 W437 V440 P441 E442 G443 I444M432-S434 PolarHBondContact O-N 3.25Å; S434-D436 PolarHBondContact OG-N 3.31Å; S434-W437 PolarHBondContact OG-N 3.04Å; S434-V440 WeakPolarHBondContact CB-O 3.35Å; S434-V440 PolarHBondContact OG-O 3.47Å; S434-P441 WeakPolarHBondContact CB-O 3.29Å; S434-E442 WeakPolarHBondContact O-CA 3.41Å; S434-G443 PolarHBondContact O-N 3.43Å; S434-I444 VanDerWaalsContact CB-O 3.25Å; S434-I444 WeakPolarHBondContact CB-O 3.13Å; S434-I444 PolarHBondContact N-O 3.44Å
435R93.5Very high92.8Very high146 Ų14639.3 Ų39.355%0.55121%0.209SC*.SBendtrans-119.155.1165.3-58.7-176.5-177.5179.91.2110W437R435-W437 HydrophobicContact CB-CD2 4.26Å; R435-W437 HydrophobicContact CB-CZ2 4.03Å; R435-W437 HydrophobicContact CG-CH2 4.16Å; R435-W437 HydrophobicContact CG-CZ2 3.93Å; R435-W437 PolarHBondContact O-N 3.45Å
436D92.8Very high93.5Very high103 Ų10334 Ų3455%0.55118%0.18SC*.SBendtrans62.420.4-172-62.1-40.7000115S434 Y438 V440 P441 E442S434-D436 PolarHBondContact OG-N 3.31Å; D436-Y438 PolarHBondContact O-N 3.11Å; D436-V440 CarbonylContact C-O 3.58Å; D436-V440 WeakPolarHBondContact CA-O 3.25Å; D436-P441 WeakPolarHBondContact OD1-CA 2.97Å; D436-E442 PolarHBondContact OD1-N 3.14Å
437W94Very high93.9Very high55 Ų5531.9 Ų31.921%0.20817%0.17CC..G310 helixtrans-68.1132.7179.8-61.7-41.7000111.4M432 I433 S434 R435 G439 V440 F448 I460M432-W437 HydrophobicContact CB-CZ3 4.46Å; M432-W437 HydrophobicContact CE-CH2 4.42Å; I433-W437 WeakPolarHBondContact O-CZ3 3.25Å; S434-W437 PolarHBondContact OG-N 3.04Å; R435-W437 HydrophobicContact CB-CD2 4.26Å; R435-W437 HydrophobicContact CB-CZ2 4.03Å; R435-W437 HydrophobicContact CG-CH2 4.16Å; R435-W437 HydrophobicContact CG-CZ2 3.93Å; R435-W437 PolarHBondContact O-N 3.45Å; W437-G439 PolarHBondContact O-N 3.21Å; W437-V440 WeakPolarHBondContact O-CB 3.09Å; W437-V440 WeakPolarHBondContact O-CG2 3.3Å; W437-V440 PolarHBondContact O-N 3.11Å; W437-F448 HydrophobicContact CB-CD1 4.41Å; W437-F448 HydrophobicContact CB-CE1 3.85Å; W437-F448 HydrophobicContact CB-CZ 4.22Å; W437-F448 HydrophobicContact CE3-CD2 4.2Å; W437-F448 HydrophobicContact CE3-CE1 4.49Å; W437-F448 AromaticContact CE3-CE2 3.97Å; W437-F448 HydrophobicContact CE3-CE2 3.97Å; W437-F448 HydrophobicContact CE3-CZ 4.12Å; W437-F448 HydrophobicContact CZ3-CE2 4.5Å; W437-I460 HydrophobicContact CB-CD1 3.61Å; W437-I460 HydrophobicContact CD2-CD1 3.47Å; W437-I460 VanDerWaalsContact CD2-CD1 3.47Å; W437-I460 HydrophobicContact CD2-CG2 4.25Å; W437-I460 HydrophobicContact CE3-CD1 3.55Å; W437-I460 HydrophobicContact CG-CD1 3.53Å; W437-I460 HydrophobicContact CZ2-CG2 4.12Å; W437-I460 HydrophobicContact CZ3-CD1 4.33Å
438Y93.4Very high94Very high50 Ų5031.1 Ų31.120%0.19617%0.166CC..G310 helixtrans53.328.1177.6-61.4-82.3000113.6W335 D436 V440 F448 I460 V461 D463 M464 L466 L474W335-Y438 AromaticContact CH2-CD1 3.98Å; W335-Y438 HydrophobicContact CH2-CD1 3.98Å; W335-Y438 AromaticContact CH2-CD2 3.73Å; W335-Y438 HydrophobicContact CH2-CD2 3.73Å; W335-Y438 AromaticContact CH2-CE1 3.87Å; W335-Y438 HydrophobicContact CH2-CE1 3.87Å; W335-Y438 AromaticContact CH2-CE2 3.64Å; W335-Y438 HydrophobicContact CH2-CE2 3.64Å; W335-Y438 AromaticContact CH2-CG 3.91Å; W335-Y438 HydrophobicContact CH2-CG 3.91Å; W335-Y438 AromaticContact CH2-CZ 3.7Å; W335-Y438 HydrophobicContact CZ3-CD1 4.33Å; W335-Y438 AromaticContact CZ3-CD2 3.64Å; W335-Y438 HydrophobicContact CZ3-CD2 3.64Å; W335-Y438 AromaticContact CZ3-CE2 3.99Å; W335-Y438 HydrophobicContact CZ3-CE2 3.99Å; W335-Y438 AromaticContact CZ3-CG 3.84Å; W335-Y438 HydrophobicContact CZ3-CG 3.84Å; D436-Y438 PolarHBondContact O-N 3.11Å; Y438-V440 VanDerWaalsContact C-N 3.27Å; Y438-V440 PolarHBondContact O-N 2.78Å; Y438-F448 HydrophobicContact CD2-CD1 4.16Å; Y438-F448 HydrophobicContact CD2-CE1 4.35Å; Y438-I460 HydrophobicContact CD2-CD1 4.02Å; Y438-I460 HydrophobicContact CE2-CD1 3.77Å; Y438-I460 HydrophobicContact CE2-CG1 4.21Å; Y438-V461 PolarHBondContact OH-O 2.81Å; Y438-D463 PolarHBondContact OH-N 3.32Å; Y438-M464 HydrophobicContact CE1-CB 4.28Å; Y438-M464 VanDerWaalsContact OH-CB 3.26Å; Y438-M464 WeakPolarHBondContact OH-CB 3.47Å; Y438-M464 PolarHBondContact OH-N 3.17Å; Y438-L466 HydrophobicContact CD1-CD1 4.07Å; Y438-L466 HydrophobicContact CD1-CD2 4.49Å; Y438-L466 HydrophobicContact CD1-CG 4.47Å; Y438-L466 HydrophobicContact CE1-CD2 4.42Å; Y438-L474 WeakPolarHBondContact O-CD2 3.47Å
439G91.1Very high94.1Very high57 Ų5730.9 Ų30.959%0.58817%0.165SC*.G310 helixtrans77.44.5-178.100000115W437 P441W437-G439 PolarHBondContact O-N 3.21Å; G439-P441 WeakPolarHBondContact O-CD 3.24Å
440V93Very high94.1Very high1 Ų130.8 Ų30.81%0.00616%0.164CC..PPolyproline II helixtrans-75.9118.5171.4-177.30000108.2S434 D436 W437 Y438 I444 F446 F448 I478S434-V440 WeakPolarHBondContact CB-O 3.35Å; S434-V440 PolarHBondContact OG-O 3.47Å; D436-V440 CarbonylContact C-O 3.58Å; D436-V440 WeakPolarHBondContact CA-O 3.25Å; W437-V440 WeakPolarHBondContact O-CB 3.09Å; W437-V440 WeakPolarHBondContact O-CG2 3.3Å; W437-V440 PolarHBondContact O-N 3.11Å; Y438-V440 VanDerWaalsContact C-N 3.27Å; Y438-V440 PolarHBondContact O-N 2.78Å; V440-I444 HydrophobicContact CG1-CB 4.34Å; V440-I444 HydrophobicContact CG1-CG2 4.36Å; V440-F446 HydrophobicContact CG1-CB 3.91Å; V440-F446 HydrophobicContact CG1-CD2 4.39Å; V440-F446 HydrophobicContact CG1-CG 4.19Å; V440-F446 HydrophobicContact CG2-CB 4.34Å; V440-F446 HydrophobicContact CG2-CD1 3.83Å; V440-F446 HydrophobicContact CG2-CD2 4.29Å; V440-F446 HydrophobicContact CG2-CE1 4.08Å; V440-F446 HydrophobicContact CG2-CG 3.93Å; V440-F446 HydrophobicContact CG2-CZ 4.4Å; V440-F448 HydrophobicContact CB-CE1 4.35Å; V440-F448 HydrophobicContact CB-CZ 4Å; V440-F448 HydrophobicContact CG1-CZ 4.21Å; V440-F448 HydrophobicContact CG2-CE1 3.87Å; V440-F448 HydrophobicContact CG2-CZ 3.91Å; V440-I478 HydrophobicContact CB-CD1 4.42Å; V440-I478 HydrophobicContact CB-CG1 4.47Å; V440-I478 HydrophobicContact CG2-CD1 3.73Å; V440-I478 HydrophobicContact CG2-CG1 3.81Å
441P92.2Very high93.9Very high42 Ų4232.9 Ų32.927%0.27318%0.175SC..PPolyproline II helixtrans-57.4145.1-175.6-25.333.3000114.2S434 D436 G439 G443 I444 I482S434-P441 WeakPolarHBondContact CB-O 3.29Å; D436-P441 WeakPolarHBondContact OD1-CA 2.97Å; G439-P441 WeakPolarHBondContact O-CD 3.24Å; P441-G443 PolarHBondContact O-N 2.92Å; P441-I444 HydrophobicContact CB-CD1 3.97Å; P441-I444 HydrophobicContact CB-CG1 4.47Å; P441-I444 HydrophobicContact CG-CD1 4.07Å; P441-I444 PolarHBondContact O-N 2.86Å; P441-I482 HydrophobicContact CG-CD1 3.81Å; P441-I482 HydrophobicContact CG-CG1 4.13Å
442E92.8Very high93.5Very high129 Ų12933.4 Ų33.460%0.60318%0.178SC*.THydrogen-bonded Turntrans-49.6136.1175.3-169.1-17016700112.2S434 D436 I444S434-E442 WeakPolarHBondContact O-CA 3.41Å; D436-E442 PolarHBondContact OD1-N 3.14Å; E442-I444 VanDerWaalsContact C-N 3.3Å; E442-I444 PolarHBondContact O-N 3.31Å
443G91.4Very high92.6Very high28 Ų2834.2 Ų34.229%0.28919%0.189SC..THydrogen-bonded Turntrans86.7-5.3174.800000114.5S434 P441S434-G443 PolarHBondContact O-N 3.43Å; P441-G443 PolarHBondContact O-N 2.92Å
444I91.8Very high91.6Very high17 Ų1737.2 Ų37.29%0.08721%0.211CC..  trans-93.1127.3172.5-59.4-175.7000108.9S434 V440 P441 E442 I482 I485S434-I444 VanDerWaalsContact CB-O 3.25Å; S434-I444 WeakPolarHBondContact CB-O 3.13Å; S434-I444 PolarHBondContact N-O 3.44Å; V440-I444 HydrophobicContact CG1-CB 4.34Å; V440-I444 HydrophobicContact CG1-CG2 4.36Å; P441-I444 HydrophobicContact CB-CD1 3.97Å; P441-I444 HydrophobicContact CB-CG1 4.47Å; P441-I444 HydrophobicContact CG-CD1 4.07Å; P441-I444 PolarHBondContact O-N 2.86Å; E442-I444 VanDerWaalsContact C-N 3.3Å; E442-I444 PolarHBondContact O-N 3.31Å; I444-I482 HydrophobicContact CD1-CG1 3.94Å; I444-I485 HydrophobicContact CB-CD1 4.12Å; I444-I485 HydrophobicContact CD1-CD1 3.97Å; I444-I485 HydrophobicContact CG1-CD1 3.7Å; I444-I485 HydrophobicContact CG2-CD1 3.66Å
445A94.4Very high90.5Very high1 Ų146.2 Ų46.21%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-76.5140.8173.400000111.5C284 V287 T288 V431 M432 I433C284-A445 HydrophobicContact CB-CB 4.31Å; C284-A445 WeakPolarHBondContact CB-O 3.33Å; C284-A445 VanDerWaalsContact O-CB 3.28Å; C284-A445 WeakPolarHBondContact O-CB 3.49Å; V287-A445 HydrophobicContact CB-CB 3.71Å; V287-A445 HydrophobicContact CG1-CB 3.59Å; T288-A445 VanDerWaalsContact OG1-CB 3.26Å; T288-A445 WeakPolarHBondContact OG1-CB 3.16Å; T288-A445 PolarHBondContact OG1-N 3.23Å; V431-A445 HydrophobicContact CG1-CB 3.84Å; M432-A445 CarbonylContact O-C 3.54Å; M432-A445 WeakPolarHBondContact O-CA 3.42Å; I433-A445 HydrophobicContact CD1-CB 3.87Å
446F94.6Very high89.8Confident0 Ų039.3 Ų39.30%022%0.221CC..EExtended strand (participates in β ladder)trans-154.5156.6-178.2-162.7-98.8000109.2W335 G336 N337 V431 M432 V440 F448 L474 I478W335-F446 HydrophobicContact CB-CE1 4.38Å; W335-F446 HydrophobicContact CE3-CE1 4.34Å; G336-F446 VanDerWaalsContact C-CD2 3.48Å; G336-F446 VanDerWaalsContact CA-CE2 3.45Å; G336-F446 WeakPolarHBondContact O-CD2 3.49Å; G336-F446 WeakPolarHBondContact O-CG 3.45Å; N337-F446 HydrophobicContact CB-CD2 4.34Å; N337-F446 HydrophobicContact CB-CE2 4.43Å; V431-F446 CarbonylContact C-O 3.56Å; V431-F446 VanDerWaalsContact CA-O 3.32Å; V431-F446 WeakPolarHBondContact CA-O 3.44Å; M432-F446 PolarHBondContact N-O 3Å; M432-F446 PolarHBondContact O-N 3.39Å; V440-F446 HydrophobicContact CG1-CB 3.91Å; V440-F446 HydrophobicContact CG1-CD2 4.39Å; V440-F446 HydrophobicContact CG1-CG 4.19Å; V440-F446 HydrophobicContact CG2-CB 4.34Å; V440-F446 HydrophobicContact CG2-CD1 3.83Å; V440-F446 HydrophobicContact CG2-CD2 4.29Å; V440-F446 HydrophobicContact CG2-CE1 4.08Å; V440-F446 HydrophobicContact CG2-CG 3.93Å; V440-F446 HydrophobicContact CG2-CZ 4.4Å; F446-F448 HydrophobicContact CB-CD2 4.35Å; F446-F448 HydrophobicContact CB-CE1 4.42Å; F446-F448 HydrophobicContact CB-CE2 3.62Å; F446-F448 HydrophobicContact CB-CZ 3.67Å; F446-F448 HydrophobicContact CD1-CD1 4.34Å; F446-F448 AromaticContact CD1-CE1 3.98Å; F446-F448 HydrophobicContact CD1-CE1 3.98Å; F446-F448 HydrophobicContact CD1-CE2 4.49Å; F446-F448 HydrophobicContact CD1-CZ 4.08Å; F446-F448 HydrophobicContact CG-CZ 4.29Å; F446-F448 WeakPolarHBondContact O-CD2 3.4Å; F446-F448 WeakPolarHBondContact O-CE2 3.28Å; F446-L474 HydrophobicContact CE1-CD1 4.4Å; F446-L474 HydrophobicContact CZ-CG 4.41Å; F446-I478 HydrophobicContact CE2-CG1 4.39Å
447S95.3Very high89.4Confident0 Ų038.1 Ų38.10%022%0.219CC..EExtended strand (participates in β ladder)trans-80123174.7-172.20000110.5V307 I334 G336 L430V307-S447 WeakPolarHBondContact CG2-OG 3.34Å; I334-S447 VanDerWaalsContact O-CB 3.28Å; I334-S447 WeakPolarHBondContact O-CB 3.28Å; I334-S447 PolarHBondContact O-OG 3.04Å; G336-S447 WeakPolarHBondContact O-CB 3.06Å; G336-S447 PolarHBondContact O-N 3.47Å; L430-S447 WeakPolarHBondContact O-CA 3.47Å
448F96.3Very high89.1Confident0 Ų037 Ų370%022%0.215CC..EExtended strand (participates in β ladder)trans-124.3149.8-179.7-62.2-78.6000110.7W335 S429 L430 M432 W437 Y438 V440 F446 I460W335-F448 HydrophobicContact CE3-CD1 4.44Å; W335-F448 AromaticContact CZ3-CD1 3.94Å; W335-F448 HydrophobicContact CZ3-CD1 3.94Å; S429-F448 WeakPolarHBondContact CA-O 3.39Å; L430-F448 PolarHBondContact N-O 2.82Å; L430-F448 PolarHBondContact O-N 2.78Å; M432-F448 HydrophobicContact CB-CD2 4.22Å; W437-F448 HydrophobicContact CB-CD1 4.41Å; W437-F448 HydrophobicContact CB-CE1 3.85Å; W437-F448 HydrophobicContact CB-CZ 4.22Å; W437-F448 HydrophobicContact CE3-CD2 4.2Å; W437-F448 HydrophobicContact CE3-CE1 4.49Å; W437-F448 AromaticContact CE3-CE2 3.97Å; W437-F448 HydrophobicContact CE3-CE2 3.97Å; W437-F448 HydrophobicContact CE3-CZ 4.12Å; W437-F448 HydrophobicContact CZ3-CE2 4.5Å; Y438-F448 HydrophobicContact CD2-CD1 4.16Å; Y438-F448 HydrophobicContact CD2-CE1 4.35Å; V440-F448 HydrophobicContact CB-CE1 4.35Å; V440-F448 HydrophobicContact CB-CZ 4Å; V440-F448 HydrophobicContact CG1-CZ 4.21Å; V440-F448 HydrophobicContact CG2-CE1 3.87Å; V440-F448 HydrophobicContact CG2-CZ 3.91Å; F446-F448 HydrophobicContact CB-CD2 4.35Å; F446-F448 HydrophobicContact CB-CE1 4.42Å; F446-F448 HydrophobicContact CB-CE2 3.62Å; F446-F448 HydrophobicContact CB-CZ 3.67Å; F446-F448 HydrophobicContact CD1-CD1 4.34Å; F446-F448 AromaticContact CD1-CE1 3.98Å; F446-F448 HydrophobicContact CD1-CE1 3.98Å; F446-F448 HydrophobicContact CD1-CE2 4.49Å; F446-F448 HydrophobicContact CD1-CZ 4.08Å; F446-F448 HydrophobicContact CG-CZ 4.29Å; F446-F448 WeakPolarHBondContact O-CD2 3.4Å; F446-F448 WeakPolarHBondContact O-CE2 3.28Å; F448-I460 HydrophobicContact CB-CD1 3.83Å; F448-I460 HydrophobicContact CB-CG1 4.09Å; F448-I460 HydrophobicContact CD1-CD1 3.59Å; F448-I460 HydrophobicContact CE1-CD1 4.26Å; F448-I460 HydrophobicContact CG-CD1 3.75Å
449P96.4Very high89Confident0 Ų038 Ų380%023%0.229CC..EExtended strand (participates in β ladder)trans-65.9132.3164.828.6-33.5000109.8V333 W335 I427 T428 I460 V461 M464V333-P449 HydrophobicContact CG1-CB 3.76Å; V333-P449 HydrophobicContact CG1-CG 4.12Å; V333-P449 HydrophobicContact CG2-CB 3.99Å; W335-P449 HydrophobicContact CH2-CG 3.4Å; W335-P449 VanDerWaalsContact CH2-CG 3.4Å; W335-P449 HydrophobicContact CZ2-CG 3.51Å; W335-P449 HydrophobicContact CZ3-CG 4.09Å; I427-P449 HydrophobicContact CG2-CB 3.7Å; T428-P449 CarbonylContact O-C 3.55Å; T428-P449 WeakPolarHBondContact O-CA 3.38Å; P449-I460 WeakPolarHBondContact O-CG1 3.47Å; P449-V461 HydrophobicContact CB-CB 4.08Å; P449-V461 HydrophobicContact CB-CG2 3.93Å; P449-V461 HydrophobicContact CG-CB 4.07Å; P449-V461 HydrophobicContact CG-CG2 4.47Å; P449-V461 PolarHBondContact O-N 3.25Å; P449-M464 HydrophobicContact CB-CE 4.22Å; P449-M464 HydrophobicContact CB-SD 4.33Å; P449-M464 HydrophobicContact CG-CE 4.45Å; P449-M464 HydrophobicContact CG-SD 3.96Å
450V94.9Very high89.2Confident0 Ų035.9 Ų35.90%020%0.204CC..EExtended strand (participates in β ladder)trans-128.9152.6177.3-60.20000110.7I427 T428 L430 M432 S459I427-V450 WeakPolarHBondContact CA-O 3.31Å; T428-V450 HydrophobicContact CG2-CG2 3.64Å; T428-V450 PolarHBondContact N-O 3.5Å; T428-V450 PolarHBondContact O-N 2.86Å; L430-V450 HydrophobicContact CB-CG1 4.22Å; L430-V450 HydrophobicContact CB-CG2 4.19Å; L430-V450 HydrophobicContact CD1-CG1 4.48Å; L430-V450 HydrophobicContact CD1-CG2 3.81Å; L430-V450 HydrophobicContact CG-CG2 3.76Å; M432-V450 HydrophobicContact SD-CG1 3.66Å; V450-S459 CarbonylContact C-O 3.56Å; V450-S459 VanDerWaalsContact CA-O 3.22Å; V450-S459 WeakPolarHBondContact CA-O 3.29Å; V450-S459 WeakPolarHBondContact CB-O 3.32Å
451I92Very high89.2Confident44 Ų4436.7 Ų36.723%0.22621%0.209CC..EExtended strand (participates in β ladder)trans-108.3130.9165.1-69.3162.3000107.3P424 I427 W458 S459 V461P424-I451 WeakPolarHBondContact O-CG2 3.48Å; I427-I451 HydrophobicContact CG1-CG1 4.33Å; I451-W458 VanDerWaalsContact O-CA 3.25Å; I451-W458 WeakPolarHBondContact O-CA 3.34Å; I451-S459 PolarHBondContact N-O 2.79Å; I451-S459 PolarHBondContact O-N 3.39Å; I451-V461 HydrophobicContact CD1-CG2 3.93Å; I451-V461 HydrophobicContact CG1-CG2 3.8Å
452C87.4Confident89.2Confident11 Ų1141.6 Ų41.67%0.07423%0.228CC..EExtended strand (participates in β ladder)trans-95.6104175.8-580000108.9E415 C416 C457E415-C452 WeakPolarHBondContact O-CB 3.4Å; C416-C452 PolarHBondContact SG-SG 3.23Å; C452-C457 CarbonylContact C-O 3.57Å
453G77.1Confident89Confident26 Ų2642.5 Ų42.527%0.26824%0.238SC..EExtended strand (participates in β ladder)trans-80.4-176.7176.800000112.9S419 C457S419-G453 WeakPolarHBondContact CB-O 3.35Å; S419-G453 PolarHBondContact OG-O 2.92Å; S419-G453 VanDerWaalsContact OG-O 3.08Å; G453-C457 WeakPolarHBondContact CA-O 3.44Å; G453-C457 PolarHBondContact N-O 2.77Å
454S75Confident89Confident72 Ų7241.6 Ų41.650%0.50323%0.226SC..G310 helixtrans-62.9156.5-178.752.70000113.1G456 C457S454-G456 PolarHBondContact O-N 3.41Å; S454-C457 PolarHBondContact O-N 2.89Å
455Y71.5Confident88.8Confident189 Ų18947.3 Ų47.374%0.74126%0.256SS*.G310 helixtrans60.727177.6-48.2-76.8000114.6C457Y455-C457 VanDerWaalsContact C-N 3.31Å; Y455-C457 PolarHBondContact O-N 3.31Å
456G78.6Confident88.6Confident1 Ų149.6 Ų49.61%0.0127%0.268CS..G310 helixtrans68.729.4176.800000113.2R263 C416 W417 S454 W458R263-G456 PolarHBondContact NH1-O 3.11Å; R263-G456 PolarHBondContact NH2-O 3.19Å; C416-G456 CarbonylContact O-C 3.56Å; C416-G456 WeakPolarHBondContact O-CA 3.49Å; W417-G456 WeakPolarHBondContact O-CA 3.38Å; S454-G456 PolarHBondContact O-N 3.41Å; G456-W458 WeakPolarHBondContact O-CZ3 3.19Å
457C83.6Confident88.2Confident77 Ų7751 Ų5152%0.5228%0.277SS..EExtended strand (participates in β ladder)trans-93.2143.5170.7-71.10000109C452 G453 S454 Y455C452-C457 CarbonylContact C-O 3.57Å; G453-C457 WeakPolarHBondContact CA-O 3.44Å; G453-C457 PolarHBondContact N-O 2.77Å; S454-C457 PolarHBondContact O-N 2.89Å; Y455-C457 VanDerWaalsContact C-N 3.31Å; Y455-C457 PolarHBondContact O-N 3.31Å
458W88.6Confident87.8Confident32 Ų3255.3 Ų55.312%0.12130%0.304CS..EExtended strand (participates in β ladder)trans-133.1149.81735487.7000111.1R263 A301 V304 C416 W417 L430 I451 G456R263-W458 VanDerWaalsContact NH1-CZ3 3.34Å; A301-W458 WeakPolarHBondContact O-CZ2 3.31Å; A301-W458 PolarHBondContact O-NE1 2.9Å; V304-W458 HydrophobicContact CG1-CZ2 3.66Å; V304-W458 HydrophobicContact CG2-CZ2 4.45Å; C416-W458 HydrophobicContact CB-CE3 3.87Å; C416-W458 HydrophobicContact CB-CZ3 3.97Å; C416-W458 WeakPolarHBondContact O-CZ3 3.38Å; W417-W458 HydrophobicContact CD2-CH2 4.37Å; W417-W458 HydrophobicContact CD2-CZ3 4.27Å; W417-W458 AromaticContact CE3-CH2 3.99Å; W417-W458 HydrophobicContact CE3-CH2 3.99Å; W417-W458 AromaticContact CE3-CZ3 3.87Å; W417-W458 HydrophobicContact CE3-CZ3 3.87Å; W417-W458 AromaticContact CH2-CH2 3.71Å; W417-W458 HydrophobicContact CH2-CH2 3.71Å; W417-W458 HydrophobicContact CH2-CZ2 4.42Å; W417-W458 HydrophobicContact CH2-CZ3 4.42Å; W417-W458 HydrophobicContact CZ2-CH2 4.16Å; W417-W458 AromaticContact CZ3-CH2 3.61Å; W417-W458 HydrophobicContact CZ3-CH2 3.61Å; W417-W458 HydrophobicContact CZ3-CZ2 4.41Å; W417-W458 AromaticContact CZ3-CZ3 3.92Å; W417-W458 HydrophobicContact CZ3-CZ3 3.92Å; L430-W458 HydrophobicContact CD1-CD2 4.44Å; L430-W458 HydrophobicContact CD1-CG 4.28Å; I451-W458 VanDerWaalsContact O-CA 3.25Å; I451-W458 WeakPolarHBondContact O-CA 3.34Å; G456-W458 WeakPolarHBondContact O-CZ3 3.19Å
459S91.1Very high87.3Confident70 Ų7058.9 Ų58.949%0.4932%0.321SS..EExtended strand (participates in β ladder)trans-132.2151.1176.956.40000110.1V450 I451V450-S459 CarbonylContact C-O 3.56Å; V450-S459 VanDerWaalsContact CA-O 3.22Å; V450-S459 WeakPolarHBondContact CA-O 3.29Å; V450-S459 WeakPolarHBondContact CB-O 3.32Å; I451-S459 PolarHBondContact N-O 2.79Å; I451-S459 PolarHBondContact O-N 3.39Å
460I94.3Very high86.9Confident13 Ų1359.2 Ų59.27%0.06732%0.323CS..EExtended strand (participates in β ladder)trans-62.5144.5170.7-166.7167.5000109.6W437 Y438 F448 P449 E462W437-I460 HydrophobicContact CB-CD1 3.61Å; W437-I460 HydrophobicContact CD2-CD1 3.47Å; W437-I460 VanDerWaalsContact CD2-CD1 3.47Å; W437-I460 HydrophobicContact CD2-CG2 4.25Å; W437-I460 HydrophobicContact CE3-CD1 3.55Å; W437-I460 HydrophobicContact CG-CD1 3.53Å; W437-I460 HydrophobicContact CZ2-CG2 4.12Å; W437-I460 HydrophobicContact CZ3-CD1 4.33Å; Y438-I460 HydrophobicContact CD2-CD1 4.02Å; Y438-I460 HydrophobicContact CE2-CD1 3.77Å; Y438-I460 HydrophobicContact CE2-CG1 4.21Å; F448-I460 HydrophobicContact CB-CD1 3.83Å; F448-I460 HydrophobicContact CB-CG1 4.09Å; F448-I460 HydrophobicContact CD1-CD1 3.59Å; F448-I460 HydrophobicContact CE1-CD1 4.26Å; F448-I460 HydrophobicContact CG-CD1 3.75Å; P449-I460 WeakPolarHBondContact O-CG1 3.47Å; I460-E462 HydrophobicContact CG2-CG 4.01Å; I460-E462 PolarHBondContact O-N 3.18Å
461V94.2Very high86.7Confident19 Ų1963 Ų6312%0.11534%0.341CS..  trans-70.3113.8165.5-179.50000106.9I427 Y438 P449 I451 M464I427-V461 HydrophobicContact CD1-CG2 4.17Å; I427-V461 HydrophobicContact CG1-CG2 4.11Å; I427-V461 HydrophobicContact CG2-CG2 4.11Å; Y438-V461 PolarHBondContact OH-O 2.81Å; P449-V461 HydrophobicContact CB-CB 4.08Å; P449-V461 HydrophobicContact CB-CG2 3.93Å; P449-V461 HydrophobicContact CG-CB 4.07Å; P449-V461 HydrophobicContact CG-CG2 4.47Å; P449-V461 PolarHBondContact O-N 3.25Å; I451-V461 HydrophobicContact CD1-CG2 3.93Å; I451-V461 HydrophobicContact CG1-CG2 3.8Å; V461-M464 HydrophobicContact CG1-CB 4.21Å; V461-M464 HydrophobicContact CG1-CE 4.36Å
462E91.3Very high86.5Confident144 Ų14465 Ų6567%0.67336%0.355SS*.  trans-82.7153.4176.9-63.9-178.4170.700110.9I460 M464I460-E462 HydrophobicContact CG2-CG 4.01Å; I460-E462 PolarHBondContact O-N 3.18Å; E462-M464 PolarHBondContact O-N 3.08Å
463D88.5Confident86.5Confident149 Ų14968 Ų6880%0.79737%0.368SS*.SBendtrans50.633.6172.9-56.2-37.2000115.6Y438 L465Y438-D463 PolarHBondContact OH-N 3.32Å; D463-L465 PolarHBondContact O-N 3.42Å
464M91.5Very high87.1Confident8 Ų867 Ų674%0.03936%0.357CS..  trans-66.5120.1174.2-170.2-179.2-115.600109.6V333 W335 R348 I427 Y438 P449 V461 E462 L466V333-M464 HydrophobicContact CG2-CE 3.88Å; W335-M464 HydrophobicContact CZ2-SD 3.68Å; R348-M464 HydrophobicContact CB-CE 4.11Å; R348-M464 HydrophobicContact CG-CE 3.42Å; R348-M464 VanDerWaalsContact CG-CE 3.42Å; I427-M464 HydrophobicContact CD1-CE 3.76Å; Y438-M464 HydrophobicContact CE1-CB 4.28Å; Y438-M464 VanDerWaalsContact OH-CB 3.26Å; Y438-M464 WeakPolarHBondContact OH-CB 3.47Å; Y438-M464 PolarHBondContact OH-N 3.17Å; P449-M464 HydrophobicContact CB-CE 4.22Å; P449-M464 HydrophobicContact CB-SD 4.33Å; P449-M464 HydrophobicContact CG-CE 4.45Å; P449-M464 HydrophobicContact CG-SD 3.96Å; V461-M464 HydrophobicContact CG1-CB 4.21Å; V461-M464 HydrophobicContact CG1-CE 4.36Å; E462-M464 PolarHBondContact O-N 3.08Å; M464-L466 PolarHBondContact O-N 3.3Å
465L89Confident87.9Confident138 Ų13869.4 Ų69.472%0.72336%0.358SS*.  trans-62.3107175.2-65.7175.5000110.5D463D463-L465 PolarHBondContact O-N 3.42Å
466L89.3Confident88.7Confident48 Ų4864 Ų6425%0.25135%0.345SS..  trans-80.4138.1176.6-54.8-177.2000110.2W335 Y438 M464 V470 E471 L474W335-L466 HydrophobicContact CH2-CD2 4.15Å; W335-L466 HydrophobicContact CZ2-CD2 3.6Å; Y438-L466 HydrophobicContact CD1-CD1 4.07Å; Y438-L466 HydrophobicContact CD1-CD2 4.49Å; Y438-L466 HydrophobicContact CD1-CG 4.47Å; Y438-L466 HydrophobicContact CE1-CD2 4.42Å; M464-L466 PolarHBondContact O-N 3.3Å; L466-V470 HydrophobicContact CD2-CG1 4.08Å; L466-E471 HydrophobicContact CB-CB 4.46Å; L466-L474 HydrophobicContact CD1-CD1 4.31Å
467T86.7Confident89.1Confident31 Ų3164 Ų6419%0.1934%0.344CS..  trans-72.9155.9167.983.30000110E469 V470 E471T467-E469 VanDerWaalsContact CB-OE2 3.31Å; T467-E469 WeakPolarHBondContact CB-OE2 3.32Å; T467-E469 PolarHBondContact O-N 3.13Å; T467-E469 VanDerWaalsContact O-N 3.13Å; T467-E469 PolarHBondContact OG1-OE2 2.82Å; T467-V470 PolarHBondContact O-N 2.71Å; T467-V470 PolarHBondContact OG1-N 2.81Å; T467-E471 PolarHBondContact O-N 3.26Å
468P87.2Confident89.3Confident89 Ų8961.2 Ų61.258%0.57832%0.324SS*.Hα-helixtrans-54.9-33.4177.9-2735.6000113.5T472P468-T472 WeakPolarHBondContact O-CB 3.24Å; P468-T472 PolarHBondContact O-N 2.74Å; P468-T472 PolarHBondContact O-OG1 3.01Å
469E85.4Confident89.3Confident75 Ų7568.5 Ų68.535%0.3535%0.352SS..Hα-helixtrans-66.4-48.6175.8-59.380.5-175.500111.7T467 E471 T472 Q473T467-E469 VanDerWaalsContact CB-OE2 3.31Å; T467-E469 WeakPolarHBondContact CB-OE2 3.32Å; T467-E469 PolarHBondContact O-N 3.13Å; T467-E469 VanDerWaalsContact O-N 3.13Å; T467-E469 PolarHBondContact OG1-OE2 2.82Å; E469-E471 VanDerWaalsContact C-N 3.35Å; E469-T472 PolarHBondContact O-N 2.87Å; E469-Q473 VanDerWaalsContact O-CG 3.28Å; E469-Q473 WeakPolarHBondContact O-CG 3.41Å; E469-Q473 PolarHBondContact O-N 2.95Å
470V87.7Confident89Confident7 Ų767.7 Ų67.74%0.04234%0.344CS..Hα-helixtrans-62.8-44.1178.11760000110W335 D345 L466 T467 T472 Q473 L474W335-V470 HydrophobicContact CG-CG1 4.39Å; D345-V470 HydrophobicContact CB-CG1 4.47Å; D345-V470 HydrophobicContact CB-CG2 3.91Å; L466-V470 HydrophobicContact CD2-CG1 4.08Å; T467-V470 PolarHBondContact O-N 2.71Å; T467-V470 PolarHBondContact OG1-N 2.81Å; V470-T472 VanDerWaalsContact C-N 3.35Å; V470-T472 PolarHBondContact O-N 3.19Å; V470-Q473 PolarHBondContact O-N 3.04Å; V470-L474 WeakPolarHBondContact O-CB 3.12Å; V470-L474 PolarHBondContact O-N 3.17Å
471E89.8Confident88.5Confident80 Ų8067.1 Ų67.137%0.37434%0.341SS..Hα-helixtrans-59.7-43.9178.3-166.1-168.4161.200112L466 T467 E469 L474 K475L466-E471 HydrophobicContact CB-CB 4.46Å; T467-E471 PolarHBondContact O-N 3.26Å; E469-E471 VanDerWaalsContact C-N 3.35Å; E471-L474 PolarHBondContact O-N 2.76Å; E471-K475 WeakPolarHBondContact O-CG 3.24Å; E471-K475 PolarHBondContact O-N 3.16Å; E471-K475 VanDerWaalsContact OE1-CE 3.25Å; E471-K475 WeakPolarHBondContact OE1-CE 3.48Å; E471-K475 IonicContact OE1-NZ 3.61Å; E471-K475 PolarHBondContact OE1-NZ 3.22Å
472T89.7Confident87.9Confident87 Ų8769 Ų6953%0.53435%0.35SS..Hα-helixtrans-64.8-44.1178.7-590000111.8P468 E469 V470 T476P468-T472 WeakPolarHBondContact O-CB 3.24Å; P468-T472 PolarHBondContact O-N 2.74Å; P468-T472 PolarHBondContact O-OG1 3.01Å; E469-T472 PolarHBondContact O-N 2.87Å; V470-T472 VanDerWaalsContact C-N 3.35Å; V470-T472 PolarHBondContact O-N 3.19Å; T472-T476 PolarHBondContact O-N 3.43Å; T472-T476 VanDerWaalsContact O-N 3.13Å; T472-T476 PolarHBondContact O-OG1 3.02Å
473Q86.7Confident87.5Confident73 Ų7366 Ų6634%0.34134%0.339SS..Hα-helixtrans-70.9-34.4178.9-64.2173.7-2.200112.1S343 E469 V470 T476 S477S343-Q473 WeakPolarHBondContact OG-CB 3.34Å; S343-Q473 PolarHBondContact OG-OE1 3.43Å; E469-Q473 VanDerWaalsContact O-CG 3.28Å; E469-Q473 WeakPolarHBondContact O-CG 3.41Å; E469-Q473 PolarHBondContact O-N 2.95Å; V470-Q473 PolarHBondContact O-N 3.04Å; Q473-T476 WeakPolarHBondContact O-CB 3.48Å; Q473-T476 PolarHBondContact O-N 2.94Å; Q473-S477 WeakPolarHBondContact O-CB 3.17Å; Q473-S477 PolarHBondContact O-N 3.34Å; Q473-S477 PolarHBondContact O-OG 2.95Å
474L89.6Confident86.9Confident6 Ų660.3 Ų60.33%0.03131%0.309CS..Hα-helixtrans-64.9-46.6175.3-177.2145000110.7W335 Y438 F446 L466 V470 E471 T476 S477 I478W335-L474 HydrophobicContact CD2-CD1 4.13Å; W335-L474 HydrophobicContact CE3-CD1 3.76Å; W335-L474 HydrophobicContact CZ3-CD1 4.17Å; Y438-L474 WeakPolarHBondContact O-CD2 3.47Å; F446-L474 HydrophobicContact CE1-CD1 4.4Å; F446-L474 HydrophobicContact CZ-CG 4.41Å; L466-L474 HydrophobicContact CD1-CD1 4.31Å; V470-L474 WeakPolarHBondContact O-CB 3.12Å; V470-L474 PolarHBondContact O-N 3.17Å; E471-L474 PolarHBondContact O-N 2.76Å; L474-T476 VanDerWaalsContact C-N 3.26Å; L474-T476 PolarHBondContact O-N 3Å; L474-S477 PolarHBondContact O-N 3.48Å; L474-S477 VanDerWaalsContact O-N 3.13Å; L474-I478 HydrophobicContact CD2-CD1 3.38Å; L474-I478 HydrophobicContact CD2-CG1 4.35Å; L474-I478 HydrophobicContact CG-CD1 4.15Å; L474-I478 VanDerWaalsContact O-CG1 3.3Å; L474-I478 WeakPolarHBondContact O-CG1 3.46Å; L474-I478 PolarHBondContact O-N 3.43Å
475K90.9Very high86Confident122 Ų12261.6 Ų61.653%0.5332%0.315SS..Hα-helixtrans-55.2-42.2171.9-75.1172.9-175.7167.70112.1E471 R479E471-K475 WeakPolarHBondContact O-CG 3.24Å; E471-K475 PolarHBondContact O-N 3.16Å; E471-K475 VanDerWaalsContact OE1-CE 3.25Å; E471-K475 WeakPolarHBondContact OE1-CE 3.48Å; E471-K475 IonicContact OE1-NZ 3.61Å; E471-K475 PolarHBondContact OE1-NZ 3.22Å; K475-R479 PolarHBondContact O-N 3.13Å; K475-R479 VanDerWaalsContact O-N 3.09Å
476T88.4Confident85.2Confident76 Ų7658.1 Ų58.147%0.46630%0.3SS..Hα-helixtrans-64.2-46.7176.8-56.30000111.4T472 Q473 L474 I478 R479 V480T472-T476 PolarHBondContact O-N 3.43Å; T472-T476 VanDerWaalsContact O-N 3.13Å; T472-T476 PolarHBondContact O-OG1 3.02Å; Q473-T476 WeakPolarHBondContact O-CB 3.48Å; Q473-T476 PolarHBondContact O-N 2.94Å; L474-T476 VanDerWaalsContact C-N 3.26Å; L474-T476 PolarHBondContact O-N 3Å; T476-I478 PolarHBondContact O-N 3.01Å; T476-R479 PolarHBondContact O-N 2.86Å; T476-V480 WeakPolarHBondContact O-CG2 2.99Å; T476-V480 PolarHBondContact O-N 3.2Å
477S87.7Confident84.4Confident0 Ų064.2 Ų64.20%032%0.32CS..Hα-helixtrans-63-40179.4-60.50000112.3S341 Q473 L474 V480 S481S341-S477 WeakPolarHBondContact CB-OG 3.35Å; S341-S477 PolarHBondContact OG-OG 2.47Å; Q473-S477 WeakPolarHBondContact O-CB 3.17Å; Q473-S477 PolarHBondContact O-N 3.34Å; Q473-S477 PolarHBondContact O-OG 2.95Å; L474-S477 PolarHBondContact O-N 3.48Å; L474-S477 VanDerWaalsContact O-N 3.13Å; S477-V480 PolarHBondContact O-N 2.93Å; S477-S481 WeakPolarHBondContact O-CB 3.27Å; S477-S481 PolarHBondContact O-N 3.13Å; S477-S481 PolarHBondContact O-OG 2.9Å
478I88.8Confident83.4Confident19 Ų1963.5 Ų63.510%0.09731%0.314CS..Hα-helixtrans-62.5-48.8175.3-70.8169000110.4V440 F446 L474 T476 V480 S481 I482V440-I478 HydrophobicContact CB-CD1 4.42Å; V440-I478 HydrophobicContact CB-CG1 4.47Å; V440-I478 HydrophobicContact CG2-CD1 3.73Å; V440-I478 HydrophobicContact CG2-CG1 3.81Å; F446-I478 HydrophobicContact CE2-CG1 4.39Å; L474-I478 HydrophobicContact CD2-CD1 3.38Å; L474-I478 HydrophobicContact CD2-CG1 4.35Å; L474-I478 HydrophobicContact CG-CD1 4.15Å; L474-I478 VanDerWaalsContact O-CG1 3.3Å; L474-I478 WeakPolarHBondContact O-CG1 3.46Å; L474-I478 PolarHBondContact O-N 3.43Å; T476-I478 PolarHBondContact O-N 3.01Å; I478-V480 VanDerWaalsContact C-N 3.29Å; I478-V480 PolarHBondContact O-N 3.35Å; I478-S481 WeakPolarHBondContact O-CB 3.34Å; I478-S481 PolarHBondContact O-N 3.01Å; I478-S481 VanDerWaalsContact O-N 3.09Å; I478-I482 HydrophobicContact CG2-CD1 3.69Å; I478-I482 HydrophobicContact CG2-CG1 4.33Å; I478-I482 WeakPolarHBondContact O-CG1 3.12Å; I478-I482 PolarHBondContact O-N 3.47Å
479R88.5Confident82.2Confident184 Ų18461.3 Ų61.369%0.69430%0.299SS*.Hα-helixtrans-57.7-42.9178.7-174.4179.1179.7-173.6-0.6111.8K475 T476 N483K475-R479 PolarHBondContact O-N 3.13Å; K475-R479 VanDerWaalsContact O-N 3.09Å; T476-R479 PolarHBondContact O-N 2.86Å; R479-N483 VanDerWaalsContact O-CG 3.25Å; R479-N483 PolarHBondContact O-N 2.94Å; R479-N483 VanDerWaalsContact O-N 3.15Å; R479-N483 PolarHBondContact O-ND2 2.9Å
480V84Confident80.9Confident53 Ų5365 Ų6532%0.32132%0.315SS..Hα-helixtrans-62.7-44.8175.8172.60000111T476 S477 I478 I482 N483 V484T476-V480 WeakPolarHBondContact O-CG2 2.99Å; T476-V480 PolarHBondContact O-N 3.2Å; S477-V480 PolarHBondContact O-N 2.93Å; I478-V480 VanDerWaalsContact C-N 3.29Å; I478-V480 PolarHBondContact O-N 3.35Å; V480-I482 PolarHBondContact O-N 3.37Å; V480-N483 PolarHBondContact O-N 3.3Å; V480-V484 WeakPolarHBondContact O-CG2 3.44Å; V480-V484 PolarHBondContact O-N 3.16Å
481S83.1Confident79.3Confident1 Ų166.7 Ų66.71%0.00733%0.329CS..Hα-helixtrans-61.8-45.1-179.4-560000112.6N337 S477 I478 N483 V484 I485N337-S481 WeakPolarHBondContact CB-OG 3.44Å; N337-S481 PolarHBondContact ND2-OG 3.44Å; S477-S481 WeakPolarHBondContact O-CB 3.27Å; S477-S481 PolarHBondContact O-N 3.13Å; S477-S481 PolarHBondContact O-OG 2.9Å; I478-S481 WeakPolarHBondContact O-CB 3.34Å; I478-S481 PolarHBondContact O-N 3.01Å; I478-S481 VanDerWaalsContact O-N 3.09Å; S481-N483 VanDerWaalsContact C-N 3.34Å; S481-N483 PolarHBondContact O-N 3.25Å; S481-V484 PolarHBondContact O-N 3.29Å; S481-I485 WeakPolarHBondContact O-CG1 3.33Å; S481-I485 PolarHBondContact O-N 2.89Å; S481-I485 VanDerWaalsContact O-N 3.08Å
482I82.6Confident77.6Confident60 Ų6063.8 Ų63.831%0.30832%0.316SS..Hα-helixtrans-61-44.3176.4-66.2167.8000110.5P441 I444 I478 V480 V484 I485 T486P441-I482 HydrophobicContact CG-CD1 3.81Å; P441-I482 HydrophobicContact CG-CG1 4.13Å; I444-I482 HydrophobicContact CD1-CG1 3.94Å; I478-I482 HydrophobicContact CG2-CD1 3.69Å; I478-I482 HydrophobicContact CG2-CG1 4.33Å; I478-I482 WeakPolarHBondContact O-CG1 3.12Å; I478-I482 PolarHBondContact O-N 3.47Å; V480-I482 PolarHBondContact O-N 3.37Å; I482-V484 PolarHBondContact O-N 3.12Å; I482-I485 PolarHBondContact O-N 3.38Å; I482-T486 VanDerWaalsContact O-CB 3.26Å; I482-T486 WeakPolarHBondContact O-CB 3.29Å; I482-T486 PolarHBondContact O-N 3.08Å; I482-T486 PolarHBondContact O-OG1 2.86Å
483N81.6Confident75.9Confident81 Ų8162.8 Ų62.843%0.43331%0.311SS..Hα-helixtrans-62.3-42.5180-75.3-22.2000112.4R479 V480 S481 R487R479-N483 VanDerWaalsContact O-CG 3.25Å; R479-N483 PolarHBondContact O-N 2.94Å; R479-N483 VanDerWaalsContact O-N 3.15Å; R479-N483 PolarHBondContact O-ND2 2.9Å; V480-N483 PolarHBondContact O-N 3.3Å; S481-N483 VanDerWaalsContact C-N 3.34Å; S481-N483 PolarHBondContact O-N 3.25Å; N483-R487 WeakPolarHBondContact O-CB 3.36Å; N483-R487 VanDerWaalsContact O-CG 3.31Å; N483-R487 WeakPolarHBondContact O-CG 3.47Å; N483-R487 PolarHBondContact O-N 2.99Å; N483-R487 VanDerWaalsContact O-N 3.11Å
484V75.8Confident74.2Confident28 Ų2865.4 Ų65.417%0.1732%0.322CS..Hα-helixtrans-62.2-52.1177.2173.70000110V480 S481 I482 T486 R487 M488V480-V484 WeakPolarHBondContact O-CG2 3.44Å; V480-V484 PolarHBondContact O-N 3.16Å; S481-V484 PolarHBondContact O-N 3.29Å; I482-V484 PolarHBondContact O-N 3.12Å; V484-T486 PolarHBondContact O-N 3.47Å; V484-R487 PolarHBondContact O-N 3.5Å; V484-M488 HydrophobicContact CG1-CE 3.78Å; V484-M488 VanDerWaalsContact O-CG 3.3Å; V484-M488 WeakPolarHBondContact O-CG 3.36Å; V484-M488 PolarHBondContact O-N 3.28Å; V484-M488 VanDerWaalsContact O-N 3.08Å
485I72.8Confident72.5Confident35 Ų3570.6 Ų70.618%0.17935%0.346CS..Hα-helixtrans-65.9-38.4-177.3-68.1169.5000112.2T288 I444 S481 I482 M488 T489T288-I485 HydrophobicContact CG2-CD1 4.12Å; I444-I485 HydrophobicContact CB-CD1 4.12Å; I444-I485 HydrophobicContact CD1-CD1 3.97Å; I444-I485 HydrophobicContact CG1-CD1 3.7Å; I444-I485 HydrophobicContact CG2-CD1 3.66Å; S481-I485 WeakPolarHBondContact O-CG1 3.33Å; S481-I485 PolarHBondContact O-N 2.89Å; S481-I485 VanDerWaalsContact O-N 3.08Å; I482-I485 PolarHBondContact O-N 3.38Å; I485-M488 PolarHBondContact O-N 3.29Å; I485-T489 WeakPolarHBondContact O-CB 3.49Å; I485-T489 PolarHBondContact O-N 2.97Å; I485-T489 PolarHBondContact O-OG1 3.19Å
486T73.7Confident70.7Confident65 Ų6567.4 Ų67.440%0.39933%0.333SS..Hα-helixtrans-64.2-46.1178.5-57.30000110.7I482 V484 M488 T489 F490I482-T486 VanDerWaalsContact O-CB 3.26Å; I482-T486 WeakPolarHBondContact O-CB 3.29Å; I482-T486 PolarHBondContact O-N 3.08Å; I482-T486 PolarHBondContact O-OG1 2.86Å; V484-T486 PolarHBondContact O-N 3.47Å; T486-M488 PolarHBondContact O-N 3.48Å; T486-T489 PolarHBondContact O-N 3.04Å; T486-F490 HydrophobicContact CG2-CD2 3.85Å; T486-F490 HydrophobicContact CG2-CE2 4.26Å; T486-F490 WeakPolarHBondContact O-CD2 3.48Å; T486-F490 PolarHBondContact O-N 3.01Å; T486-F490 VanDerWaalsContact O-N 3.08Å
487R71Confident69.2Low176 Ų17666.3 Ų66.366%0.66433%0.332SS*.Iπ-helixtrans-58.8-39.7174.5-74.8177.7178.5-172.9-0.6111.3N483 V484 A491 L492N483-R487 WeakPolarHBondContact O-CB 3.36Å; N483-R487 VanDerWaalsContact O-CG 3.31Å; N483-R487 WeakPolarHBondContact O-CG 3.47Å; N483-R487 PolarHBondContact O-N 2.99Å; N483-R487 VanDerWaalsContact O-N 3.11Å; V484-R487 PolarHBondContact O-N 3.5Å; R487-A491 VanDerWaalsContact O-CA 3.3Å; R487-A491 WeakPolarHBondContact O-CA 3.4Å; R487-A491 WeakPolarHBondContact O-CB 3.44Å; R487-A491 PolarHBondContact O-N 2.94Å; R487-L492 PolarHBondContact O-N 2.7Å
488M65.6Low67.5Low17 Ų1771.4 Ų71.48%0.08436%0.357CS..Iπ-helixtrans-77.4-36.2-179.5-62.3-147.4-161.800114.2L240 F285 V484 I485 T486 L492 P493L240-M488 HydrophobicContact CB-CE 3.32Å; L240-M488 HydrophobicContact CB-SD 4.2Å; L240-M488 HydrophobicContact CD1-CE 3.35Å; L240-M488 HydrophobicContact CD2-CE 4.23Å; L240-M488 HydrophobicContact CG-CE 3.79Å; F285-M488 HydrophobicContact CD2-CE 4.3Å; F285-M488 HydrophobicContact CD2-SD 4.18Å; F285-M488 HydrophobicContact CE1-SD 4.39Å; F285-M488 HydrophobicContact CE2-CE 3.78Å; F285-M488 HydrophobicContact CE2-CG 4.35Å; F285-M488 HydrophobicContact CE2-SD 3.15Å; F285-M488 WeakPolarHBondContact CE2-SD 3.37Å; F285-M488 HydrophobicContact CZ-CE 4.08Å; F285-M488 HydrophobicContact CZ-SD 3.28Å; F285-M488 WeakPolarHBondContact CZ-SD 3.23Å; V484-M488 HydrophobicContact CG1-CE 3.78Å; V484-M488 VanDerWaalsContact O-CG 3.3Å; V484-M488 WeakPolarHBondContact O-CG 3.36Å; V484-M488 PolarHBondContact O-N 3.28Å; V484-M488 VanDerWaalsContact O-N 3.08Å; I485-M488 PolarHBondContact O-N 3.29Å; T486-M488 PolarHBondContact O-N 3.48Å; M488-L492 HydrophobicContact CB-CD1 3.66Å; M488-L492 HydrophobicContact CG-CD1 3.38Å; M488-L492 HydrophobicContact CG-CG 4.43Å; M488-L492 WeakPolarHBondContact O-CB 3.27Å; M488-L492 HydrophobicContact SD-CD1 3.57Å; M488-L492 VanDerWaalsContact SD-CD1 3.57Å; M488-P493 WeakPolarHBondContact O-CD 3.27Å
489T62.3Low65.8Low42 Ų4278.3 Ų78.326%0.25839%0.386SS..Iπ-helixtrans-73.7-33.8-178.5-56.60000111.9R292 I485 T486 P493R292-T489 PolarHBondContact NH1-OG1 3.35Å; I485-T489 WeakPolarHBondContact O-CB 3.49Å; I485-T489 PolarHBondContact O-N 2.97Å; I485-T489 PolarHBondContact O-OG1 3.19Å; T486-T489 PolarHBondContact O-N 3.04Å; T489-P493 WeakPolarHBondContact O-CG 3.21Å
490F58.1Low63.9Low153 Ų15377.7 Ų77.767%0.67139%0.391SS*.Iπ-helixtrans-105.1-40.6-176.5-65.4-78.3000113.7T486 F494T486-F490 HydrophobicContact CG2-CD2 3.85Å; T486-F490 HydrophobicContact CG2-CE2 4.26Å; T486-F490 WeakPolarHBondContact O-CD2 3.48Å; T486-F490 PolarHBondContact O-N 3.01Å; T486-F490 VanDerWaalsContact O-N 3.08Å; F490-F494 WeakPolarHBondContact O-CB 3.38Å
491A54.6Low62Low42 Ų4286.1 Ų86.135%0.34742%0.417SS..Iπ-helixtrans-87.4-36.6-173.500000113.3R487 F494 Q495R487-A491 VanDerWaalsContact O-CA 3.3Å; R487-A491 WeakPolarHBondContact O-CA 3.4Å; R487-A491 WeakPolarHBondContact O-CB 3.44Å; R487-A491 PolarHBondContact O-N 2.94Å; A491-F494 PolarHBondContact O-N 3.28Å; A491-Q495 WeakPolarHBondContact O-CB 3.38Å; A491-Q495 VanDerWaalsContact O-CG 3.31Å; A491-Q495 WeakPolarHBondContact O-CG 3.35Å; A491-Q495 PolarHBondContact O-N 2.81Å
492L54.5Low60.1Low19 Ų1996.7 Ų96.710%0.09947%0.469CS..Hα-helixtrans-71.6-46.3-176.9-72.3170.2000113.7L241 R487 M488 F494 Q495 M496L241-L492 HydrophobicContact CD1-CB 4.37Å; L241-L492 HydrophobicContact CD1-CD1 4.11Å; L241-L492 HydrophobicContact CD1-CD2 3.99Å; L241-L492 HydrophobicContact CD1-CG 4.4Å; L241-L492 HydrophobicContact CD2-CD2 4.2Å; L241-L492 HydrophobicContact CG-CD2 4.47Å; R487-L492 PolarHBondContact O-N 2.7Å; M488-L492 HydrophobicContact CB-CD1 3.66Å; M488-L492 HydrophobicContact CG-CD1 3.38Å; M488-L492 HydrophobicContact CG-CG 4.43Å; M488-L492 WeakPolarHBondContact O-CB 3.27Å; M488-L492 HydrophobicContact SD-CD1 3.57Å; M488-L492 VanDerWaalsContact SD-CD1 3.57Å; L492-F494 PolarHBondContact O-N 2.98Å; L492-Q495 PolarHBondContact O-N 3.25Å; L492-M496 WeakPolarHBondContact O-CB 3.48Å; L492-M496 WeakPolarHBondContact O-CG 3.4Å; L492-M496 PolarHBondContact O-N 2.92Å
493P53.1Low59Low67 Ų6798.5 Ų98.544%0.43548%0.477SS..Hα-helixtrans-57.4-35.4171.9-27.534.2000112.5M488 T489 A497M488-P493 WeakPolarHBondContact O-CD 3.27Å; T489-P493 WeakPolarHBondContact O-CG 3.21Å; P493-A497 WeakPolarHBondContact O-CB 3.41Å; P493-A497 PolarHBondContact O-N 3.41Å
494F52.1Low57.8Low128 Ų12899.4 Ų99.456%0.56148%0.479SS*.Hα-helixtrans-69.5-43.7176.4-169.5-97.5000112.2F490 A491 L492 M496 A497 M498F490-F494 WeakPolarHBondContact O-CB 3.38Å; A491-F494 PolarHBondContact O-N 3.28Å; L492-F494 PolarHBondContact O-N 2.98Å; F494-M496 VanDerWaalsContact C-N 3.35Å; F494-M496 PolarHBondContact O-N 2.91Å; F494-A497 PolarHBondContact O-N 3.33Å; F494-M498 HydrophobicContact CD1-CE 4.21Å; F494-M498 HydrophobicContact CD1-SD 4.37Å; F494-M498 HydrophobicContact CE1-CE 3.27Å; F494-M498 HydrophobicContact CE1-SD 3.94Å; F494-M498 HydrophobicContact CZ-CE 3.55Å; F494-M498 PolarHBondContact O-N 3.47Å
495Q53.1Low56.8Low114 Ų114103.4 Ų103.453%0.53350%0.497SS..Hα-helixtrans-64.5-36.5174-76177.7-1500112.6A491 L492 M498 K499A491-Q495 WeakPolarHBondContact O-CB 3.38Å; A491-Q495 VanDerWaalsContact O-CG 3.31Å; A491-Q495 WeakPolarHBondContact O-CG 3.35Å; A491-Q495 PolarHBondContact O-N 2.81Å; L492-Q495 PolarHBondContact O-N 3.25Å; Q495-M498 PolarHBondContact O-N 3.33Å; Q495-K499 PolarHBondContact O-N 2.69Å
496M54.1Low55.8Low56 Ų56107.4 Ų107.428%0.27652%0.515SS..Hα-helixtrans-67-42.8172.8-76.9-17914700112.1L241 L245 L492 F494 M498 K499 H500L241-M496 HydrophobicContact CD1-CE 3.5Å; L241-M496 VanDerWaalsContact CD1-CE 3.5Å; L241-M496 HydrophobicContact CD1-SD 4.21Å; L241-M496 HydrophobicContact CD2-CE 4.24Å; L241-M496 HydrophobicContact CG-CE 4.08Å; L245-M496 HydrophobicContact CD1-CE 3.65Å; L245-M496 HydrophobicContact CD2-CE 3.56Å; L245-M496 HydrophobicContact CD2-SD 4.44Å; L245-M496 HydrophobicContact CG-CE 3.81Å; L492-M496 WeakPolarHBondContact O-CB 3.48Å; L492-M496 WeakPolarHBondContact O-CG 3.4Å; L492-M496 PolarHBondContact O-N 2.92Å; F494-M496 VanDerWaalsContact C-N 3.35Å; F494-M496 PolarHBondContact O-N 2.91Å; M496-M498 PolarHBondContact O-N 3.47Å; M496-K499 PolarHBondContact O-N 2.99Å; M496-H500 PolarHBondContact O-CD2 3.38Å; M496-H500 PolarHBondContact O-N 3.38Å
497A56.1Low54.7Low53 Ų53110.1 Ų110.144%0.43852%0.523SS..Hα-helixtrans-61.9-29.917400000112.3P493 F494 R501P493-A497 WeakPolarHBondContact O-CB 3.41Å; P493-A497 PolarHBondContact O-N 3.41Å; F494-A497 PolarHBondContact O-N 3.33Å; A497-R501 WeakPolarHBondContact O-CG 3.46Å
498M52Low53.6Low106 Ų106105.7 Ų105.752%0.52251%0.513SS..Hα-helixtrans-76.3-43.5172.2-77-169.7169.500113.1F494 Q495 M496 H500 R501 M502F494-M498 HydrophobicContact CD1-CE 4.21Å; F494-M498 HydrophobicContact CD1-SD 4.37Å; F494-M498 HydrophobicContact CE1-CE 3.27Å; F494-M498 HydrophobicContact CE1-SD 3.94Å; F494-M498 HydrophobicContact CZ-CE 3.55Å; F494-M498 PolarHBondContact O-N 3.47Å; Q495-M498 PolarHBondContact O-N 3.33Å; M496-M498 PolarHBondContact O-N 3.47Å; M498-H500 VanDerWaalsContact C-N 3.28Å; M498-H500 PolarHBondContact O-N 3.11Å; M498-R501 PolarHBondContact O-N 2.97Å; M498-M502 PolarHBondContact O-N 2.83Å
499K52.6Low52.8Low164 Ų164112 Ų11271%0.71354%0.544SS*.Hα-helixtrans-64.5-27.3177.4-86.9-171.8176.2-177.50113.7Q495 M496 R501Q495-K499 PolarHBondContact O-N 2.69Å; M496-K499 PolarHBondContact O-N 2.99Å; K499-R501 VanDerWaalsContact C-N 3.33Å
500H49.6Very low52.1Low172 Ų172117.4 Ų117.480%0.79657%0.566SS**THydrogen-bonded Turntrans-81.6-9.5172.4-82.3-62.4000114M496 M498M496-H500 PolarHBondContact O-CD2 3.38Å; M496-H500 PolarHBondContact O-N 3.38Å; M498-H500 VanDerWaalsContact C-N 3.28Å; M498-H500 PolarHBondContact O-N 3.11Å
501R43.6Very low51.6Low229 Ų229114.4 Ų114.486%0.86456%0.557SS**THydrogen-bonded Turntrans-99.6-13.3177-78.8-177.9179.4-163.81.2113.7A497 M498 K499A497-R501 WeakPolarHBondContact O-CG 3.46Å; M498-R501 PolarHBondContact O-N 2.97Å; K499-R501 VanDerWaalsContact C-N 3.33Å
502M43.3Very low51.3Low223 Ų223121 Ų121100%1.09958%0.576SS**  trans-93.20166.5-73.5-178.3158.400108.7M498M498-M502 PolarHBondContact O-N 2.83Å

Retrieved 502 of 502 residues in 1313.9 ms (Link to these results)

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