A0A087XNH9_POEFO Loading...

DNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A087XNH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 657 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
1D84.7Confident85.7Confident92 Ų9280.5 Ų80.549%0.49241%0.409SS..  0122.40178.9-2.4000108.1G3 R4D1-G3 PolarHBondContact O-N 2.78Å; D1-G3 PolarHBondContact OD1-N 3.34Å; D1-R4 HydrophobicContact CB-CG 4.46Å; D1-R4 PolarHBondContact O-N 2.69Å; D1-R4 VanDerWaalsContact O-N 3.16Å
2S83.6Confident85.9Confident0 Ų082.5 Ų82.50%042%0.416CS..G310 helixtrans-57.4-28.2-179.753.30000114.2R4 L5 Y74S2-R4 PolarHBondContact O-N 3.5Å; S2-L5 PolarHBondContact O-N 3.05Å; S2-Y74 VanDerWaalsContact CB-O 3.23Å; S2-Y74 WeakPolarHBondContact CB-O 3.47Å; S2-Y74 PolarHBondContact N-O 2.66Å; S2-Y74 PolarHBondContact OG-O 3.45Å
3G80.1Confident86.2Confident26 Ų2678.5 Ų78.527%0.26840%0.396SS..G310 helixtrans-67.7-19.3179.100000114.1D1 Q92D1-G3 PolarHBondContact O-N 2.78Å; D1-G3 PolarHBondContact OD1-N 3.34Å; G3-Q92 VanDerWaalsContact CA-CD 3.49Å
4R84.9Confident86.4Confident214 Ų21476.1 Ų76.181%0.80838%0.384SS*.G310 helixtrans-97.7-7.7-179.5-60.2-173.4-176.2-172.8-1.6113.7D1 S2D1-R4 HydrophobicContact CB-CG 4.46Å; D1-R4 PolarHBondContact O-N 2.69Å; D1-R4 VanDerWaalsContact O-N 3.16Å; S2-R4 PolarHBondContact O-N 3.5Å
5L85.3Confident86.5Confident37 Ų3778.5 Ų78.519%0.19439%0.393CS..  trans-75137.2-179.2-60.5177.8000110.7S2 E9 R10 M13 F95S2-L5 PolarHBondContact O-N 3.05Å; L5-E9 VanDerWaalsContact CA-OE2 3.25Å; L5-E9 WeakPolarHBondContact CA-OE2 3.46Å; L5-E9 HydrophobicContact CB-CB 4.15Å; L5-E9 HydrophobicContact CD2-CB 4.15Å; L5-R10 HydrophobicContact CB-CG 3.75Å; L5-R10 HydrophobicContact CD1-CG 4.31Å; L5-R10 PolarHBondContact O-NE 2.98Å; L5-R10 VanDerWaalsContact O-NE 3.14Å; L5-R10 PolarHBondContact O-NH2 3.28Å; L5-M13 HydrophobicContact CD1-CG 3.93Å; L5-F95 HydrophobicContact CD1-CE1 4.38Å; L5-F95 HydrophobicContact CD1-CZ 4.2Å
6N86.7Confident86.7Confident70 Ų7076 Ų7637%0.37438%0.38SS..  trans-74.116916975.238.2000110.7E8 E9 R10N6-E8 VanDerWaalsContact C-N 3.33Å; N6-E8 PolarHBondContact O-N 3.16Å; N6-E8 PolarHBondContact OD1-N 3.48Å; N6-E9 PolarHBondContact N-OE2 3.15Å; N6-E9 VanDerWaalsContact ND2-CD 3.33Å; N6-E9 PolarHBondContact ND2-OE2 3.39Å; N6-E9 PolarHBondContact O-N 2.86Å; N6-E9 WeakPolarHBondContact OD1-CB 3.32Å; N6-E9 WeakPolarHBondContact OD1-CG 3.37Å; N6-E9 PolarHBondContact OD1-N 2.69Å; N6-R10 WeakPolarHBondContact O-CG 3.29Å; N6-R10 PolarHBondContact O-N 3.44Å; N6-R10 VanDerWaalsContact O-N 3.08Å
7P84.9Confident86.7Confident93 Ų9371.5 Ų71.560%0.60436%0.358SS*.Hα-helixtrans-59.8-36.3-178-26.136.2000114.9R10 V11P7-R10 PolarHBondContact O-N 2.96Å; P7-V11 WeakPolarHBondContact O-CG2 3.31Å; P7-V11 PolarHBondContact O-N 3.23Å; P7-V11 VanDerWaalsContact O-N 3.17Å
8E87.3Confident86.7Confident159 Ų15969.5 Ų69.574%0.74336%0.358SS*.Hα-helixtrans-70.1-46.6-180-65.1177.8179.500111N6 R10 V11 E12N6-E8 VanDerWaalsContact C-N 3.33Å; N6-E8 PolarHBondContact O-N 3.16Å; N6-E8 PolarHBondContact OD1-N 3.48Å; E8-R10 PolarHBondContact O-N 3.17Å; E8-V11 PolarHBondContact O-N 2.81Å; E8-V11 VanDerWaalsContact O-N 3.07Å; E8-E12 PolarHBondContact O-N 2.88Å
9E88.7Confident86.8Confident75 Ų7571.8 Ų71.835%0.3537%0.367SS..Hα-helixtrans-58.6-35.4174.5-71171157.100111.6L5 N6 E12 M13L5-E9 VanDerWaalsContact CA-OE2 3.25Å; L5-E9 WeakPolarHBondContact CA-OE2 3.46Å; L5-E9 HydrophobicContact CB-CB 4.15Å; L5-E9 HydrophobicContact CD2-CB 4.15Å; N6-E9 PolarHBondContact N-OE2 3.15Å; N6-E9 VanDerWaalsContact ND2-CD 3.33Å; N6-E9 PolarHBondContact ND2-OE2 3.39Å; N6-E9 PolarHBondContact O-N 2.86Å; N6-E9 WeakPolarHBondContact OD1-CB 3.32Å; N6-E9 WeakPolarHBondContact OD1-CG 3.37Å; N6-E9 PolarHBondContact OD1-N 2.69Å; E9-E12 PolarHBondContact O-N 3.37Å; E9-M13 WeakPolarHBondContact O-CB 3.45Å; E9-M13 WeakPolarHBondContact O-CG 3.45Å; E9-M13 PolarHBondContact O-N 3.44Å
10R88.1Confident87Confident25 Ų2568.3 Ų68.39%0.09435%0.349CS..Hα-helixtrans-66.1-43.8174.7-74.8173.9-170.5159.36.3112L5 N6 P7 E8 E12 M13 L14 F95L5-R10 HydrophobicContact CB-CG 3.75Å; L5-R10 HydrophobicContact CD1-CG 4.31Å; L5-R10 PolarHBondContact O-NE 2.98Å; L5-R10 VanDerWaalsContact O-NE 3.14Å; L5-R10 PolarHBondContact O-NH2 3.28Å; N6-R10 WeakPolarHBondContact O-CG 3.29Å; N6-R10 PolarHBondContact O-N 3.44Å; N6-R10 VanDerWaalsContact O-N 3.08Å; P7-R10 PolarHBondContact O-N 2.96Å; E8-R10 PolarHBondContact O-N 3.17Å; R10-E12 VanDerWaalsContact C-N 3.33Å; R10-M13 PolarHBondContact O-N 3.25Å; R10-L14 WeakPolarHBondContact O-CG 3.5Å; R10-L14 PolarHBondContact O-N 3.02Å; R10-F95 HydrophobicContact CB-CD2 3.51Å; R10-F95 HydrophobicContact CB-CE2 3.66Å; R10-F95 HydrophobicContact CB-CG 4.24Å; R10-F95 HydrophobicContact CG-CB 4.49Å; R10-F95 HydrophobicContact CG-CD1 4.37Å; R10-F95 HydrophobicContact CG-CD2 3.65Å; R10-F95 HydrophobicContact CG-CE2 3.86Å; R10-F95 HydrophobicContact CG-CG 3.9Å; R10-F95 HydrophobicContact CG-CZ 4.31Å; R10-F95 VanDerWaalsContact O-CE2 3.29Å; R10-F95 WeakPolarHBondContact O-CE2 3.49Å
11V87.9Confident87.3Confident95 Ų9568.9 Ų68.958%0.57635%0.35SS*.Hα-helixtrans-63.3-43.9176.3173.40000110.2P7 E8 M13 L14 Q15P7-V11 WeakPolarHBondContact O-CG2 3.31Å; P7-V11 PolarHBondContact O-N 3.23Å; P7-V11 VanDerWaalsContact O-N 3.17Å; E8-V11 PolarHBondContact O-N 2.81Å; E8-V11 VanDerWaalsContact O-N 3.07Å; V11-M13 PolarHBondContact O-N 3.37Å; V11-L14 PolarHBondContact O-N 3.39Å; V11-Q15 PolarHBondContact O-N 3.43Å
12E89.1Confident87.7Confident104 Ų10464.5 Ų64.549%0.48633%0.327SS..Hα-helixtrans-59.8-46.5175.8-168.5-173.9168.400111.5E8 E9 R10 L14 Q15 Q16E8-E12 PolarHBondContact O-N 2.88Å; E9-E12 PolarHBondContact O-N 3.37Å; R10-E12 VanDerWaalsContact C-N 3.33Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.3Å; E12-Q15 WeakPolarHBondContact O-CB 3.28Å; E12-Q15 PolarHBondContact O-N 3.31Å; E12-Q15 VanDerWaalsContact O-N 3.12Å; E12-Q16 HydrophobicContact CG-CG 4.47Å; E12-Q16 WeakPolarHBondContact O-CB 3.42Å; E12-Q16 WeakPolarHBondContact O-CG 3.17Å; E12-Q16 PolarHBondContact O-N 2.87Å; E12-Q16 PolarHBondContact OE1-NE2 3.16Å
13M89.5Confident88.3Confident31 Ų3164.5 Ų64.515%0.15333%0.327CS..Hα-helixtrans-61-38.5176.4-74.5-66107.600112.7L5 E9 R10 V11 Q15 Q16 A17 M53 F95 M99L5-M13 HydrophobicContact CD1-CG 3.93Å; E9-M13 WeakPolarHBondContact O-CB 3.45Å; E9-M13 WeakPolarHBondContact O-CG 3.45Å; E9-M13 PolarHBondContact O-N 3.44Å; R10-M13 PolarHBondContact O-N 3.25Å; V11-M13 PolarHBondContact O-N 3.37Å; M13-Q15 VanDerWaalsContact C-N 3.34Å; M13-Q16 VanDerWaalsContact CE-CD 3.45Å; M13-A17 VanDerWaalsContact O-CB 3.28Å; M13-A17 WeakPolarHBondContact O-CB 3.41Å; M13-A17 PolarHBondContact O-N 2.93Å; M13-M53 HydrophobicContact SD-CE 3.95Å; M13-F95 HydrophobicContact CB-CE2 4.22Å; M13-F95 HydrophobicContact CB-CZ 4.04Å; M13-M99 HydrophobicContact CB-CE 4.02Å
14L89.3Confident89Confident45 Ų4563.3 Ų63.324%0.23631%0.314CS..Hα-helixtrans-66.1-38.8174.8-76.3167.3000111.6R10 V11 E12 A17 G18 F95 D98 M99R10-L14 WeakPolarHBondContact O-CG 3.5Å; R10-L14 PolarHBondContact O-N 3.02Å; V11-L14 PolarHBondContact O-N 3.39Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.3Å; L14-A17 PolarHBondContact O-N 2.86Å; L14-G18 PolarHBondContact O-N 3.14Å; L14-F95 HydrophobicContact CD1-CD2 4.08Å; L14-F95 HydrophobicContact CD1-CE2 4.29Å; L14-F95 HydrophobicContact CD2-CE2 4.38Å; L14-F95 HydrophobicContact CG-CD2 4.12Å; L14-F95 HydrophobicContact CG-CE2 3.86Å; L14-D98 HydrophobicContact CD1-CB 4.39Å; L14-D98 HydrophobicContact CD2-CB 4.23Å; L14-M99 HydrophobicContact CD2-CB 4.06Å; L14-M99 HydrophobicContact CD2-CE 3.86Å; L14-M99 HydrophobicContact CD2-SD 4.12Å; L14-M99 HydrophobicContact CG-CE 4.2Å
15Q88Confident89.5Confident112 Ų11253.2 Ų53.252%0.52328%0.276SS..Hα-helixtrans-67.5-44.5176.4-174.8173.8-1.100111.5V11 E12 M13 G18 Q19V11-Q15 PolarHBondContact O-N 3.43Å; E12-Q15 WeakPolarHBondContact O-CB 3.28Å; E12-Q15 PolarHBondContact O-N 3.31Å; E12-Q15 VanDerWaalsContact O-N 3.12Å; M13-Q15 VanDerWaalsContact C-N 3.34Å; Q15-G18 CarbonylContact O-C 3.5Å; Q15-G18 WeakPolarHBondContact O-CA 3.28Å; Q15-G18 PolarHBondContact O-N 2.94Å; Q15-G18 VanDerWaalsContact O-N 3.11Å; Q15-Q19 WeakPolarHBondContact O-CG 3.42Å; Q15-Q19 PolarHBondContact O-N 3.4Å
16Q88.9Confident90Very high38 Ų3851.4 Ų51.418%0.17827%0.267CS..Hα-helixtrans-60.9-45.2174-72.4-177.25.100111.2E12 M13 G18 Q19 A20 M53 S71E12-Q16 HydrophobicContact CG-CG 4.47Å; E12-Q16 WeakPolarHBondContact O-CB 3.42Å; E12-Q16 WeakPolarHBondContact O-CG 3.17Å; E12-Q16 PolarHBondContact O-N 2.87Å; E12-Q16 PolarHBondContact OE1-NE2 3.16Å; M13-Q16 VanDerWaalsContact CE-CD 3.45Å; Q16-G18 PolarHBondContact O-N 3.5Å; Q16-Q19 PolarHBondContact O-N 2.64Å; Q16-Q19 VanDerWaalsContact O-N 3.1Å; Q16-A20 WeakPolarHBondContact O-CB 3.4Å; Q16-A20 PolarHBondContact O-N 2.82Å; Q16-M53 HydrophobicContact CB-SD 4.32Å; Q16-S71 PolarHBondContact OE1-OG 3.2Å; Q16-S71 VanDerWaalsContact OE1-OG 3.12Å
17A87.3Confident90.4Very high0 Ų048.3 Ų48.30%025%0.25CC..Hα-helixtrans-55.5-46.7173.100000109.8M13 L14 Q19 M53 M99 R106M13-A17 VanDerWaalsContact O-CB 3.28Å; M13-A17 WeakPolarHBondContact O-CB 3.41Å; M13-A17 PolarHBondContact O-N 2.93Å; L14-A17 PolarHBondContact O-N 2.86Å; A17-Q19 PolarHBondContact O-N 3.2Å; A17-M53 WeakPolarHBondContact CA-SD 3.31Å; A17-M53 HydrophobicContact CB-CG 4.46Å; A17-M53 HydrophobicContact CB-SD 3.62Å; A17-M53 PolarHBondContact N-SD 3.41Å; A17-M53 VanDerWaalsContact N-SD 3.44Å; A17-M99 HydrophobicContact CB-CE 4.09Å; A17-M99 HydrophobicContact CB-SD 3.39Å; A17-M99 WeakPolarHBondContact CB-SD 3.37Å; A17-R106 PolarHBondContact O-NH1 3.13Å; A17-R106 PolarHBondContact O-NH2 3.5Å
18G86.2Confident90.7Very high35 Ų3544.9 Ų44.936%0.36123%0.226SC..Hα-helixtrans-53.4-42.7173.200000114.6L14 Q15 Q16 R106L14-G18 PolarHBondContact O-N 3.14Å; Q15-G18 CarbonylContact O-C 3.5Å; Q15-G18 WeakPolarHBondContact O-CA 3.28Å; Q15-G18 PolarHBondContact O-N 2.94Å; Q15-G18 VanDerWaalsContact O-N 3.11Å; Q16-G18 PolarHBondContact O-N 3.5Å; G18-R106 PolarHBondContact O-NH1 3.15Å
19Q89.4Confident90.8Very high114 Ų11438.9 Ų38.953%0.53320%0.198SC..Hα-helixtrans-89.1-23.9-173.7-69.2175.3-800113.9Q15 Q16 A17 K108Q15-Q19 WeakPolarHBondContact O-CG 3.42Å; Q15-Q19 PolarHBondContact O-N 3.4Å; Q16-Q19 PolarHBondContact O-N 2.64Å; Q16-Q19 VanDerWaalsContact O-N 3.1Å; A17-Q19 PolarHBondContact O-N 3.2Å; Q19-K108 PolarHBondContact O-NZ 2.93Å
20A90.8Very high90.7Very high0 Ų040.9 Ų40.90%021%0.207CC..  trans-48.6140.2-176.200000113.4Q16 V23 M53 K54 N55 R106 K108Q16-A20 WeakPolarHBondContact O-CB 3.4Å; Q16-A20 PolarHBondContact O-N 2.82Å; A20-V23 HydrophobicContact CB-CG2 4.49Å; A20-M53 HydrophobicContact CB-CB 4.01Å; A20-K54 CarbonylContact C-O 3.49Å; A20-N55 VanDerWaalsContact CA-OD1 3.31Å; A20-N55 WeakPolarHBondContact CA-OD1 3.31Å; A20-R106 PolarHBondContact O-NH2 3.35Å; A20-K108 WeakPolarHBondContact O-CD 3.25Å; A20-K108 PolarHBondContact O-NZ 3.5Å
21E92.3Very high90.5Very high82 Ų8243.3 Ų43.338%0.38322%0.222SC..SBendtrans-71.5-36.5176.1-72.1-54.9130.900111.9K54 N55 L57 K108E21-K54 PolarHBondContact N-O 3.37Å; E21-N55 WeakPolarHBondContact CG-O 3.27Å; E21-L57 HydrophobicContact CB-CD1 4.28Å; E21-L57 HydrophobicContact CB-CD2 3.92Å; E21-L57 HydrophobicContact CB-CG 3.93Å; E21-K108 IonicContact OE1-NZ 2.69Å; E21-K108 PolarHBondContact OE1-NZ 3.45Å; E21-K108 IonicContact OE2-NZ 3.69Å
22A93.9Very high90.3Very high0 Ų039.8 Ų39.80%021%0.205CC..EExtended strand (participates in β ladder)trans-140.6150.1173.200000111.9K54 L57 L109 F199A22-K54 HydrophobicContact CB-CB 4.33Å; A22-K54 PolarHBondContact N-O 3.42Å; A22-K54 VanDerWaalsContact N-O 3.1Å; A22-K54 PolarHBondContact O-N 3.26Å; A22-L57 HydrophobicContact CB-CD2 3.72Å; A22-L109 CarbonylContact C-O 3.57Å; A22-L109 WeakPolarHBondContact CA-O 3.35Å; A22-L109 HydrophobicContact CB-CB 4.06Å; A22-L109 HydrophobicContact CB-CD2 4.02Å; A22-L109 HydrophobicContact CB-CG 4.12Å; A22-F199 HydrophobicContact CB-CD2 4.42Å; A22-F199 HydrophobicContact CB-CE2 3.85Å
23V95.4Very high90.3Very high0 Ų035.7 Ų35.70%019%0.189CC..EExtended strand (participates in β ladder)trans-117.1128.5170.2176.30000108.8A20 L25 V51 L52 V103 L109 V110 V111A20-V23 HydrophobicContact CB-CG2 4.49Å; V23-L25 HydrophobicContact CG1-CD2 4.45Å; V23-V51 HydrophobicContact CG1-CG1 3.49Å; V23-V51 VanDerWaalsContact CG1-CG1 3.49Å; V23-L52 CarbonylContact C-O 3.54Å; V23-L52 WeakPolarHBondContact CA-O 3.35Å; V23-V103 HydrophobicContact CG1-CG1 4.47Å; V23-V103 HydrophobicContact CG1-CG2 4.15Å; V23-L109 PolarHBondContact N-O 2.98Å; V23-V110 HydrophobicContact CB-CG1 4.49Å; V23-V110 HydrophobicContact CB-CG2 4.46Å; V23-V110 CarbonylContact O-C 3.16Å; V23-V110 VanDerWaalsContact O-CA 3.28Å; V23-V110 WeakPolarHBondContact O-CA 3.44Å; V23-V111 PolarHBondContact O-N 3.38Å
24V96Very high90.3Very high0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-120.7125.3178.7-169.50000108.1L52 K54 V111 L195 L198 F199V24-L52 HydrophobicContact CB-CB 4.28Å; V24-L52 HydrophobicContact CB-CD2 4.43Å; V24-L52 PolarHBondContact N-O 3.29Å; V24-L52 PolarHBondContact O-N 3.36Å; V24-K54 HydrophobicContact CG2-CD 4.22Å; V24-V111 WeakPolarHBondContact CA-O 3.18Å; V24-V111 HydrophobicContact CG1-CB 4.35Å; V24-L195 HydrophobicContact CG1-CB 4.44Å; V24-L195 HydrophobicContact CG1-CD2 4.03Å; V24-L195 WeakPolarHBondContact CG1-O 3.37Å; V24-L198 HydrophobicContact CG1-CB 4.22Å; V24-L198 HydrophobicContact CG1-CD2 3.75Å; V24-L198 HydrophobicContact CG1-CG 4.13Å; V24-F199 HydrophobicContact CG2-CB 3.91Å; V24-F199 HydrophobicContact CG2-CD2 3.94Å; V24-F199 HydrophobicContact CG2-CG 4.29Å
25L95.5Very high90.3Very high2 Ų232.8 Ų32.81%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-136.2149.8-172.668.392.7000113.7V23 L50 V51 V103 V110 V111 C112 F118V23-L25 HydrophobicContact CG1-CD2 4.45Å; L25-L50 WeakPolarHBondContact CA-O 3.44Å; L25-L50 WeakPolarHBondContact CB-O 3.36Å; L25-V51 HydrophobicContact CB-CG2 4.32Å; L25-V103 HydrophobicContact CD2-CG1 3.72Å; L25-V110 HydrophobicContact CD2-CG1 3.76Å; L25-V111 PolarHBondContact N-O 2.9Å; L25-C112 HydrophobicContact CD1-CB 3.69Å; L25-C112 WeakPolarHBondContact CD1-SG 3.48Å; L25-C112 HydrophobicContact CG-CB 3.96Å; L25-F118 HydrophobicContact CD1-CB 4.45Å; L25-F118 HydrophobicContact CD1-CD1 4.03Å; L25-F118 HydrophobicContact CD1-CD2 3.66Å; L25-F118 HydrophobicContact CD1-CE1 4.18Å; L25-F118 HydrophobicContact CD1-CE2 3.82Å; L25-F118 HydrophobicContact CD1-CG 3.76Å; L25-F118 HydrophobicContact CD1-CZ 4.08Å; L25-F118 HydrophobicContact CD2-CE1 4.22Å; L25-F118 HydrophobicContact CD2-CZ 4.09Å
26T95.1Very high90.5Very high0 Ų027.5 Ų27.50%015%0.15CC..EExtended strand (participates in β ladder)trans-141.3142.9174.1-168.80000110.2T34 Q35 L50 L195T26-T34 HydrophobicContact CG2-CG2 4.33Å; T26-Q35 PolarHBondContact OG1-N 2.99Å; T26-L50 HydrophobicContact CG2-CB 4.05Å; T26-L50 HydrophobicContact CG2-CD1 4.36Å; T26-L50 PolarHBondContact N-O 2.98Å; T26-L50 VanDerWaalsContact N-O 3.09Å; T26-L50 PolarHBondContact O-N 3.34Å; T26-L195 HydrophobicContact CG2-CD2 3.81Å; T26-L195 HydrophobicContact CG2-CG 4.44Å
27M93.9Very high90.3Very high4 Ų428.7 Ų28.72%0.0216%0.157CC..EExtended strand (participates in β ladder)trans-76.6143.4169.8-57.3-168.6-7500110.5T34 Q35 V46 L49 D117 F118 T121M27-T34 VanDerWaalsContact O-CA 3.29Å; M27-T34 WeakPolarHBondContact O-CA 3.25Å; M27-Q35 HydrophobicContact CB-CG 3.79Å; M27-Q35 VanDerWaalsContact CE-CD 3.49Å; M27-Q35 HydrophobicContact CE-CG 3.98Å; M27-Q35 HydrophobicContact CG-CG 4.3Å; M27-Q35 PolarHBondContact O-N 3.15Å; M27-V46 HydrophobicContact CB-CG1 4.19Å; M27-V46 HydrophobicContact SD-CG1 4.25Å; M27-V46 HydrophobicContact SD-CG2 3.98Å; M27-L49 HydrophobicContact CB-CD2 4.32Å; M27-L49 HydrophobicContact CG-CD2 3.68Å; M27-D117 HydrophobicContact CE-CB 3.64Å; M27-F118 HydrophobicContact CG-CB 4.43Å; M27-F118 HydrophobicContact CG-CD2 4.39Å; M27-F118 HydrophobicContact SD-CB 4.39Å; M27-T121 HydrophobicContact SD-CG2 4.21Å
28M91.4Very high89.9Confident22 Ų2233.9 Ų33.911%0.10818%0.181CC..EExtended strand (participates in β ladder)trans-111.6136.9173.8-171.7173.6-122.800109.8C47 G48 L50 Y74 F187 I191M28-C47 PolarHBondContact O-N 2.86Å; M28-C47 PolarHBondContact O-SG 2.94Å; M28-G48 PolarHBondContact N-O 2.73Å; M28-G48 PolarHBondContact O-N 2.85Å; M28-L50 HydrophobicContact CE-CD1 4.01Å; M28-L50 HydrophobicContact SD-CD1 4.22Å; M28-Y74 HydrophobicContact CB-CE2 4.46Å; M28-Y74 HydrophobicContact SD-CD2 4.41Å; M28-Y74 HydrophobicContact SD-CE2 3.81Å; M28-F187 HydrophobicContact CE-CE1 3.55Å; M28-F187 HydrophobicContact CE-CZ 3.56Å; M28-I191 HydrophobicContact CE-CD1 3.6Å
29F90.3Very high89.1Confident32 Ų3239 Ų3914%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-101.2162.5-179.5-57.5-74000111.3D31 G32 A33 Q35 P44 A45 V46 C47F29-D31 WeakPolarHBondContact CB-OD1 3.39Å; F29-D31 PolarHBondContact O-N 3.03Å; F29-G32 WeakPolarHBondContact O-CA 3.44Å; F29-G32 PolarHBondContact O-N 3.23Å; F29-A33 HydrophobicContact CD2-CB 4.32Å; F29-A33 WeakPolarHBondContact CD2-O 3.46Å; F29-A33 PolarHBondContact N-O 3.49Å; F29-Q35 HydrophobicContact CE2-CG 4.37Å; F29-Q35 HydrophobicContact CZ-CG 4.32Å; F29-P44 HydrophobicContact CB-CB 4.06Å; F29-P44 HydrophobicContact CB-CG 3.87Å; F29-P44 VanDerWaalsContact CD1-O 3.25Å; F29-P44 WeakPolarHBondContact CD1-O 3.35Å; F29-P44 HydrophobicContact CG-CG 4.5Å; F29-A45 WeakPolarHBondContact CA-O 3.33Å; F29-V46 HydrophobicContact CD1-CG2 3.96Å; F29-V46 HydrophobicContact CE1-CG2 3.74Å; F29-C47 PolarHBondContact O-SG 3.46Å
30Q86.9Confident87.6Confident118 Ų11838.8 Ų38.855%0.55120%0.195SC*.THydrogen-bonded Turntrans-60.3-24.4-176.7-78.1-177.7-2600115.1G32 P44 A45 C47 E78Q30-G32 PolarHBondContact O-N 3.49Å; Q30-P44 HydrophobicContact CB-CB 4.38Å; Q30-A45 HydrophobicContact CG-CB 4.41Å; Q30-A45 PolarHBondContact N-O 3.46Å; Q30-C47 HydrophobicContact CG-CB 3.93Å; Q30-E78 PolarHBondContact NE2-OE1 3.12Å
31D84.2Confident85.9Confident76 Ų7649.4 Ų49.441%0.40624%0.241SC..THydrogen-bonded Turntrans-81.9-0174.468.3-16.1000113.2F29 A33 Q40 P44F29-D31 WeakPolarHBondContact CB-OD1 3.39Å; F29-D31 PolarHBondContact O-N 3.03Å; D31-A33 VanDerWaalsContact C-N 3.32Å; D31-A33 VanDerWaalsContact OD1-CB 3.25Å; D31-A33 WeakPolarHBondContact OD1-CB 3.17Å; D31-A33 PolarHBondContact OD1-N 3.34Å; D31-Q40 PolarHBondContact OD2-NE2 2.99Å; D31-Q40 PolarHBondContact OD2-OE1 3.34Å; D31-P44 HydrophobicContact CB-CG 4.05Å; D31-P44 VanDerWaalsContact CG-CG 3.41Å; D31-P44 WeakPolarHBondContact OD1-CG 3.46Å; D31-P44 WeakPolarHBondContact OD2-CG 3.32Å
32G83.3Confident84.2Confident21 Ų2152.7 Ų52.722%0.21626%0.26CS..SBendtrans85.2-5.3-175.400000114.2F29 Q30 F187F29-G32 WeakPolarHBondContact O-CA 3.44Å; F29-G32 PolarHBondContact O-N 3.23Å; Q30-G32 PolarHBondContact O-N 3.49Å; G32-F187 WeakPolarHBondContact O-CZ 3.27Å
33A87.8Confident82.8Confident17 Ų1756.4 Ų56.414%0.1429%0.291CS..  trans-68.3160.1175.200000111.3F29 D31F29-A33 HydrophobicContact CD2-CB 4.32Å; F29-A33 WeakPolarHBondContact CD2-O 3.46Å; F29-A33 PolarHBondContact N-O 3.49Å; D31-A33 VanDerWaalsContact C-N 3.32Å; D31-A33 VanDerWaalsContact OD1-CB 3.25Å; D31-A33 WeakPolarHBondContact OD1-CB 3.17Å; D31-A33 PolarHBondContact OD1-N 3.34Å
34T90.4Very high82Confident8 Ų858.1 Ų58.15%0.04930%0.302CS..BIsolated β-bridgetrans-119.8171.6175.369.90000111.4T26 M27 L36 D37 I191T26-T34 HydrophobicContact CG2-CG2 4.33Å; M27-T34 VanDerWaalsContact O-CA 3.29Å; M27-T34 WeakPolarHBondContact O-CA 3.25Å; T34-L36 PolarHBondContact O-N 2.78Å; T34-L36 VanDerWaalsContact O-N 3.1Å; T34-L36 PolarHBondContact OG1-N 3.35Å; T34-D37 PolarHBondContact N-OD2 3.26Å; T34-D37 PolarHBondContact O-N 3.49Å; T34-D37 PolarHBondContact OG1-OD2 3.05Å; T34-I191 HydrophobicContact CG2-CD1 4.4Å; T34-I191 HydrophobicContact CG2-CG1 4.33Å
35Q90.3Very high81.5Confident7 Ų760.7 Ų60.73%0.03332%0.323CS..THydrogen-bonded Turntrans-60.9-17.5172.3-60.9177.6-82.200113.5T26 M27 F29 Y113 K114T26-Q35 PolarHBondContact OG1-N 2.99Å; M27-Q35 HydrophobicContact CB-CG 3.79Å; M27-Q35 VanDerWaalsContact CE-CD 3.49Å; M27-Q35 HydrophobicContact CE-CG 3.98Å; M27-Q35 HydrophobicContact CG-CG 4.3Å; M27-Q35 PolarHBondContact O-N 3.15Å; F29-Q35 HydrophobicContact CE2-CG 4.37Å; F29-Q35 HydrophobicContact CZ-CG 4.32Å; Q35-Y113 HydrophobicContact CB-CD1 4.29Å; Q35-Y113 PolarHBondContact NE2-O 2.89Å; Q35-Y113 VanDerWaalsContact O-CD1 3.22Å; Q35-Y113 WeakPolarHBondContact O-CD1 3.37Å; Q35-Y113 WeakPolarHBondContact O-CE1 3.34Å; Q35-K114 PolarHBondContact NE2-O 3.09Å
36L90.1Very high81.2Confident2 Ų262.2 Ų62.21%0.0133%0.333CS..THydrogen-bonded Turntrans-87.3-11.4-177-52.4-178.5000112.5T34 Y113 F159 L198T34-L36 PolarHBondContact O-N 2.78Å; T34-L36 VanDerWaalsContact O-N 3.1Å; T34-L36 PolarHBondContact OG1-N 3.35Å; L36-Y113 HydrophobicContact CD2-CD1 4.3Å; L36-Y113 HydrophobicContact CD2-CG 4.12Å; L36-F159 HydrophobicContact CB-CB 4.44Å; L36-F159 HydrophobicContact CB-CD1 3.68Å; L36-F159 HydrophobicContact CB-CE1 4.13Å; L36-F159 HydrophobicContact CB-CG 4.09Å; L36-F159 HydrophobicContact CD1-CE1 4.48Å; L36-F159 HydrophobicContact CD2-CB 4.34Å; L36-F159 HydrophobicContact CD2-CD1 4.21Å; L36-F159 HydrophobicContact CD2-CD2 3.96Å; L36-F159 HydrophobicContact CD2-CE2 4.32Å; L36-F159 HydrophobicContact CD2-CG 3.89Å; L36-F159 HydrophobicContact CG-CD1 4.41Å; L36-F159 WeakPolarHBondContact O-CD1 3.48Å; L36-L198 HydrophobicContact CD2-CD1 4.16Å; L36-L198 HydrophobicContact CD2-CD2 4.08Å
37D86.3Confident80.9Confident62 Ų6262.8 Ų62.833%0.33234%0.336SS..SBendtrans-81.8168.9175.3-64.6-62.9000111.8T34 E39T34-D37 PolarHBondContact N-OD2 3.26Å; T34-D37 PolarHBondContact O-N 3.49Å; T34-D37 PolarHBondContact OG1-OD2 3.05Å; D37-E39 PolarHBondContact O-N 2.93Å
38H78.4Confident80.8Confident109 Ų10962.6 Ų62.651%0.50534%0.335SS..PPolyproline II helixtrans-63.7138.7176.4-73-70.6000110.6Q40 C158H38-Q40 PolarHBondContact O-N 3.01Å; H38-C158 PolarHBondContact CE1-SG 2.89Å; H38-C158 PolarHBondContact ND1-SG 2.86Å
39E68.7Low80.9Confident144 Ų14461.6 Ų61.667%0.67333%0.331SS*.PPolyproline II helixtrans-59.9123.1179.6-74.5-171168.300111.5D37 K114D37-E39 PolarHBondContact O-N 2.93Å; E39-K114 WeakPolarHBondContact OE1-CE 3.06Å; E39-K114 IonicContact OE1-NZ 2.85Å; E39-K114 PolarHBondContact OE1-NZ 2.98Å
40Q58.1Low81.1Confident109 Ų10960.8 Ų60.851%0.50933%0.328SS..PPolyproline II helixtrans-84.8148168.3-60.6-176.318.400110.1D31 H38 L42D31-Q40 PolarHBondContact OD2-NE2 2.99Å; D31-Q40 PolarHBondContact OD2-OE1 3.34Å; H38-Q40 PolarHBondContact O-N 3.01Å; Q40-L42 PolarHBondContact O-N 3.35Å
41K55.5Low81.4Confident222 Ų22255.3 Ų55.397%0.96530%0.302SS*.SBendtrans-60.8-26.4-178.6-78.5-178.7177.9175.10113.9
42L57.3Low81.9Confident151 Ų15151.8 Ų51.879%0.79128%0.283SS*.SBendtrans-125.9112171.7-85.8134.8000106.7Q40 P44Q40-L42 PolarHBondContact O-N 3.35Å; L42-P44 WeakPolarHBondContact O-CD 3.36Å
43A63.7Low82.4Confident78 Ų7850.8 Ų50.865%0.64527%0.273SS*.PPolyproline II helixtrans-70.6122.7173.600000108.4
44P78.8Confident82.5Confident36 Ų3650 Ų5023%0.23427%0.267CS..PPolyproline II helixtrans-60.1165.1171-4.514.4000110.5F29 Q30 D31 L42F29-P44 HydrophobicContact CB-CB 4.06Å; F29-P44 HydrophobicContact CB-CG 3.87Å; F29-P44 VanDerWaalsContact CD1-O 3.25Å; F29-P44 WeakPolarHBondContact CD1-O 3.35Å; F29-P44 HydrophobicContact CG-CG 4.5Å; Q30-P44 HydrophobicContact CB-CB 4.38Å; D31-P44 HydrophobicContact CB-CG 4.05Å; D31-P44 VanDerWaalsContact CG-CG 3.41Å; D31-P44 WeakPolarHBondContact OD1-CG 3.46Å; D31-P44 WeakPolarHBondContact OD2-CG 3.32Å; L42-P44 WeakPolarHBondContact O-CD 3.36Å
45A85.2Confident82.3Confident55 Ų5552.7 Ų52.746%0.45528%0.281SS..PPolyproline II helixtrans-62.1146.6173.900000110.5F29 Q30 C47F29-A45 WeakPolarHBondContact CA-O 3.33Å; Q30-A45 HydrophobicContact CG-CB 4.41Å; Q30-A45 PolarHBondContact N-O 3.46Å; A45-C47 PolarHBondContact O-N 3.23Å
46V88.8Confident81.8Confident33 Ų3355.5 Ų55.520%0.230%0.296CS..EExtended strand (participates in β ladder)trans-71.6126.5174.6-179.90000108.4M27 F29 L77 T121M27-V46 HydrophobicContact CB-CG1 4.19Å; M27-V46 HydrophobicContact SD-CG1 4.25Å; M27-V46 HydrophobicContact SD-CG2 3.98Å; F29-V46 HydrophobicContact CD1-CG2 3.96Å; F29-V46 HydrophobicContact CE1-CG2 3.74Å; V46-L77 HydrophobicContact CG1-CD1 3.83Å; V46-T121 HydrophobicContact CB-CG2 4.15Å; V46-T121 HydrophobicContact CG1-CG2 4.18Å; V46-T121 HydrophobicContact CG2-CG2 4.15Å
47C89.4Confident81.1Confident12 Ų1259 Ų598%0.08131%0.314CS..EExtended strand (participates in β ladder)trans-102.1-25179.466.60000112.7M28 F29 Q30 A45 L77 E78M28-C47 PolarHBondContact O-N 2.86Å; M28-C47 PolarHBondContact O-SG 2.94Å; F29-C47 PolarHBondContact O-SG 3.46Å; Q30-C47 HydrophobicContact CG-CB 3.93Å; A45-C47 PolarHBondContact O-N 3.23Å; C47-L77 PolarHBondContact O-N 3.35Å; C47-E78 HydrophobicContact CB-CG 4.06Å; C47-E78 PolarHBondContact O-N 3.11Å
48G91.5Very high79.9Confident0 Ų061.7 Ų61.70%034%0.336CS..EExtended strand (participates in β ladder)trans-173.7-178.2-178.800000114.8M28 L75M28-G48 PolarHBondContact N-O 2.73Å; M28-G48 PolarHBondContact O-N 2.85Å; G48-L75 CarbonylContact C-O 3.56Å; G48-L75 WeakPolarHBondContact CA-O 3.39Å
49L93.9Very high78.9Confident2 Ų259 Ų591%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-123.3138.2177.3-56.2167.3000109.3M27 V51 Y74 L75 L77 I100 F118M27-L49 HydrophobicContact CB-CD2 4.32Å; M27-L49 HydrophobicContact CG-CD2 3.68Å; L49-V51 HydrophobicContact CB-CG2 4.39Å; L49-Y74 CarbonylContact O-C 3.27Å; L49-Y74 WeakPolarHBondContact O-CA 3.48Å; L49-L75 HydrophobicContact CB-CB 4.23Å; L49-L75 HydrophobicContact CD1-CD1 4.47Å; L49-L75 PolarHBondContact N-O 3.29Å; L49-L75 PolarHBondContact O-N 2.76Å; L49-L77 HydrophobicContact CD1-CD1 3.96Å; L49-L77 HydrophobicContact CD1-CD2 4.13Å; L49-L77 HydrophobicContact CD1-CG 4.25Å; L49-L77 HydrophobicContact CD2-CD1 3.84Å; L49-L77 HydrophobicContact CG-CD1 3.55Å; L49-L77 HydrophobicContact CG-CD2 4.44Å; L49-L77 HydrophobicContact CG-CG 4.02Å; L49-I100 HydrophobicContact CD1-CD1 3.85Å; L49-I100 HydrophobicContact CD1-CG1 3.97Å; L49-F118 HydrophobicContact CD1-CE2 3.75Å; L49-F118 HydrophobicContact CD2-CD2 3.73Å; L49-F118 HydrophobicContact CD2-CE2 3.78Å; L49-F118 HydrophobicContact CG-CE2 4.39Å
50L94.3Very high78.2Confident14 Ų1456.3 Ų56.37%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-105.4126.2168.3-71.5163.4000108.2L25 T26 M28 L72 Y74 I191 L195L25-L50 WeakPolarHBondContact CA-O 3.44Å; L25-L50 WeakPolarHBondContact CB-O 3.36Å; T26-L50 HydrophobicContact CG2-CB 4.05Å; T26-L50 HydrophobicContact CG2-CD1 4.36Å; T26-L50 PolarHBondContact N-O 2.98Å; T26-L50 VanDerWaalsContact N-O 3.09Å; T26-L50 PolarHBondContact O-N 3.34Å; M28-L50 HydrophobicContact CE-CD1 4.01Å; M28-L50 HydrophobicContact SD-CD1 4.22Å; L50-L72 HydrophobicContact CB-CD1 4.38Å; L50-L72 HydrophobicContact CD2-CD1 4.44Å; L50-Y74 HydrophobicContact CD2-CD2 3.67Å; L50-Y74 HydrophobicContact CD2-CG 4.2Å; L50-Y74 HydrophobicContact CG-CD2 3.99Å; L50-I191 HydrophobicContact CD1-CD1 4.03Å; L50-I191 HydrophobicContact CD1-CG2 3.56Å; L50-L195 HydrophobicContact CB-CD1 4.38Å
51V94.5Very high78.3Confident4 Ų453.2 Ų53.22%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-126.2107-173.9-175.20000108.9V23 L25 L49 L72 V73 L75 V103V23-V51 HydrophobicContact CG1-CG1 3.49Å; V23-V51 VanDerWaalsContact CG1-CG1 3.49Å; L25-V51 HydrophobicContact CB-CG2 4.32Å; L49-V51 HydrophobicContact CB-CG2 4.39Å; V51-L72 WeakPolarHBondContact O-CA 3.28Å; V51-L72 WeakPolarHBondContact O-CD1 3.45Å; V51-V73 HydrophobicContact CB-CG1 3.81Å; V51-V73 HydrophobicContact CG1-CG1 4.5Å; V51-V73 PolarHBondContact N-O 2.98Å; V51-V73 PolarHBondContact O-N 3.41Å; V51-L75 HydrophobicContact CG2-CD1 3.87Å; V51-L75 HydrophobicContact CG2-CG 4.39Å; V51-V103 HydrophobicContact CG1-CG2 4.45Å
52L94.1Very high78.4Confident1 Ų143.8 Ų43.81%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-89.5121.4172.4175.969.2000108.9V23 V24 K54 L66 D70 S71 L72 L195 Y196V23-L52 CarbonylContact C-O 3.54Å; V23-L52 WeakPolarHBondContact CA-O 3.35Å; V24-L52 HydrophobicContact CB-CB 4.28Å; V24-L52 HydrophobicContact CB-CD2 4.43Å; V24-L52 PolarHBondContact N-O 3.29Å; V24-L52 PolarHBondContact O-N 3.36Å; L52-K54 HydrophobicContact CD2-CD 4.28Å; L52-K54 HydrophobicContact CD2-CG 4.1Å; L52-K54 HydrophobicContact CG-CG 4.08Å; L52-L66 HydrophobicContact CD1-CD1 3.81Å; L52-D70 HydrophobicContact CD1-CB 4.31Å; L52-S71 CarbonylContact C-O 3.59Å; L52-S71 WeakPolarHBondContact CA-O 3.43Å; L52-L72 HydrophobicContact CB-CD1 4.23Å; L52-L72 HydrophobicContact CD1-CB 4.49Å; L52-L195 HydrophobicContact CB-CB 4.39Å; L52-L195 HydrophobicContact CB-CD1 4.08Å; L52-L195 HydrophobicContact CD2-CB 3.89Å; L52-Y196 HydrophobicContact CD2-CD1 4.15Å; L52-Y196 HydrophobicContact CD2-CD2 4.37Å; L52-Y196 HydrophobicContact CD2-CE1 4.03Å; L52-Y196 HydrophobicContact CD2-CE2 4.24Å; L52-Y196 HydrophobicContact CD2-CG 4.3Å
53M93.6Very high78.2Confident1 Ų139.8 Ų39.81%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-100.1114.8175.2-64.5168.4-79.400107.9M13 Q16 A17 A20 D70 S71 V73M13-M53 HydrophobicContact SD-CE 3.95Å; Q16-M53 HydrophobicContact CB-SD 4.32Å; A17-M53 WeakPolarHBondContact CA-SD 3.31Å; A17-M53 HydrophobicContact CB-CG 4.46Å; A17-M53 HydrophobicContact CB-SD 3.62Å; A17-M53 PolarHBondContact N-SD 3.41Å; A17-M53 VanDerWaalsContact N-SD 3.44Å; A20-M53 HydrophobicContact CB-CB 4.01Å; M53-D70 WeakPolarHBondContact O-CA 3.31Å; M53-D70 WeakPolarHBondContact O-CB 3.44Å; M53-S71 PolarHBondContact N-O 3.41Å; M53-S71 PolarHBondContact O-N 3.03Å; M53-V73 HydrophobicContact CE-CB 4.42Å; M53-V73 HydrophobicContact CE-CG1 4.14Å
54K89.9Confident77.9Confident1 Ų140.7 Ų40.70%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-101.8125.9179.4-66.8-168.951.855.10110.5A20 E21 A22 V24 L52 D56 D70 Y196 F199A20-K54 CarbonylContact C-O 3.49Å; E21-K54 PolarHBondContact N-O 3.37Å; A22-K54 HydrophobicContact CB-CB 4.33Å; A22-K54 PolarHBondContact N-O 3.42Å; A22-K54 VanDerWaalsContact N-O 3.1Å; A22-K54 PolarHBondContact O-N 3.26Å; V24-K54 HydrophobicContact CG2-CD 4.22Å; L52-K54 HydrophobicContact CD2-CD 4.28Å; L52-K54 HydrophobicContact CD2-CG 4.1Å; L52-K54 HydrophobicContact CG-CG 4.08Å; K54-D56 WeakPolarHBondContact CE-O 3.18Å; K54-D56 PolarHBondContact NZ-O 3.43Å; K54-D70 VanDerWaalsContact CA-OD1 3.31Å; K54-D70 WeakPolarHBondContact CA-OD1 3.38Å; K54-D70 IonicContact NZ-OD2 3.39Å; K54-D70 PolarHBondContact NZ-OD2 3.28Å; K54-Y196 HydrophobicContact CD-CD1 4.37Å; K54-Y196 HydrophobicContact CD-CE1 4.28Å; K54-F199 HydrophobicContact CD-CD1 4.16Å; K54-F199 HydrophobicContact CD-CD2 4.23Å; K54-F199 HydrophobicContact CD-CE1 4.44Å; K54-F199 HydrophobicContact CD-CG 4.04Å
55N85.6Confident77.4Confident64 Ų6442.4 Ų42.434%0.34227%0.265SS..SBendtrans-98.4-20.7175.8-73.4-37.6000112.5A20 E21 N69 D70A20-N55 VanDerWaalsContact CA-OD1 3.31Å; A20-N55 WeakPolarHBondContact CA-OD1 3.31Å; E21-N55 WeakPolarHBondContact CG-O 3.27Å; N55-N69 HydrophobicContact CB-CB 4.27Å; N55-N69 PolarHBondContact ND2-O 3.39Å; N55-D70 PolarHBondContact N-OD1 2.84Å
56D79.8Confident76.9Confident65 Ų6542.7 Ų42.735%0.34826%0.259SS..  trans-123.5122.8174.8-171.8-8.1000111K54 C58 C59K54-D56 WeakPolarHBondContact CE-O 3.18Å; K54-D56 PolarHBondContact NZ-O 3.43Å; D56-C58 WeakPolarHBondContact OD1-CB 3.47Å; D56-C58 PolarHBondContact OD1-N 3.17Å; D56-C59 HydrophobicContact CB-CB 4.19Å
57L76.3Confident76.2Confident76 Ų7641.4 Ų41.440%0.39825%0.253SS..SBendtrans-82.8-17.6179.4-58.1175.3000112.7E21 A22 F199E21-L57 HydrophobicContact CB-CD1 4.28Å; E21-L57 HydrophobicContact CB-CD2 3.92Å; E21-L57 HydrophobicContact CB-CG 3.93Å; A22-L57 HydrophobicContact CB-CD2 3.72Å; L57-F199 HydrophobicContact CB-CZ 4.37Å; L57-F199 HydrophobicContact CD2-CE2 3.99Å; L57-F199 HydrophobicContact CD2-CZ 3.62Å
58C61.3Low75.3Confident118 Ų11846.5 Ų46.580%0.79729%0.286SS*.SBendtrans-99.5-13.2-174.8-67.80000113.5D56 A60D56-C58 WeakPolarHBondContact OD1-CB 3.47Å; D56-C58 PolarHBondContact OD1-N 3.17Å; C58-A60 PolarHBondContact O-N 3.28Å
59C56.1Low74.8Confident53 Ų5351.8 Ų51.836%0.35831%0.314SS..SBendtrans-63.2124.4-178.4-1270000110.7D56 T61D56-C59 HydrophobicContact CB-CB 4.19Å; C59-T61 PolarHBondContact O-N 3.43Å
60A55.3Low74.5Confident88 Ų8852.1 Ų52.173%0.72732%0.316SS*.  trans-54.1139.1176.800000110.9C58 P62C58-A60 PolarHBondContact O-N 3.28Å; A60-P62 WeakPolarHBondContact O-CD 2.96Å
61T58.8Low74.3Confident43 Ų4352.6 Ų52.626%0.26432%0.32SS..  trans-44.4105.7177.5-27.80000109.5C59 C63 Y196 W197 D200C59-T61 PolarHBondContact O-N 3.43Å; T61-C63 PolarHBondContact O-N 3.07Å; T61-Y196 VanDerWaalsContact CG2-CB 3.49Å; T61-Y196 HydrophobicContact CG2-CG 4.4Å; T61-W197 HydrophobicContact CG2-CD2 4.35Å; T61-D200 WeakPolarHBondContact CG2-OD2 3.46Å; T61-D200 PolarHBondContact OG1-OD2 3.32Å
62P58.1Low74.1Confident25 Ų2554.9 Ų54.916%0.16233%0.332CS..  trans-67.2125.81768.20.3000106.9A60 W64 S65 Y196A60-P62 WeakPolarHBondContact O-CD 2.96Å; P62-W64 PolarHBondContact O-N 3.3Å; P62-S65 VanDerWaalsContact CB-O 3.28Å; P62-S65 WeakPolarHBondContact CB-O 3.44Å; P62-S65 WeakPolarHBondContact CG-O 3.35Å; P62-Y196 HydrophobicContact CG-CD1 4.45Å; P62-Y196 HydrophobicContact CG-CD2 4.18Å; P62-Y196 HydrophobicContact CG-CE1 4.01Å; P62-Y196 HydrophobicContact CG-CE2 3.73Å
63C53.6Low74Confident66 Ų6655 Ų5545%0.44633%0.333SS..SBendtrans-66.7-27.6-164-145.70000111.8T61 S193T61-C63 PolarHBondContact O-N 3.07Å; C63-S193 PolarHBondContact O-OG 3.03Å
64W57.7Low73.9Confident98 Ų9857.3 Ų57.337%0.37134%0.342SS..SBendtrans-154.15-170.5-54.6106.7000115.7P62 T173 S189 N190P62-W64 PolarHBondContact O-N 3.3Å; W64-T173 HydrophobicContact CH2-CG2 4.39Å; W64-S189 WeakPolarHBondContact CA-OG 3.35Å; W64-S189 WeakPolarHBondContact CB-OG 3.43Å; W64-S189 PolarHBondContact O-OG 3.05Å; W64-N190 WeakPolarHBondContact CZ3-OD1 3.45Å
65S67.1Low74Confident71 Ų7157.3 Ų57.350%0.49734%0.342SS..SBendtrans-137.1166.7-176.765.90000111.5P62P62-S65 VanDerWaalsContact CB-O 3.28Å; P62-S65 WeakPolarHBondContact CB-O 3.44Å; P62-S65 WeakPolarHBondContact CG-O 3.35Å
66L76.3Confident74.1Confident61 Ų6158 Ų5832%0.31934%0.341SS..  trans-68.4143.4170.1-143.370.6000109.5L52 D70 L72 I192L52-L66 HydrophobicContact CD1-CD1 3.81Å; L66-D70 WeakPolarHBondContact CD2-O 3.5Å; L66-D70 HydrophobicContact CG-CB 4.39Å; L66-L72 HydrophobicContact CD1-CB 3.75Å; L66-I192 HydrophobicContact CD1-CD1 4.4Å; L66-I192 HydrophobicContact CD1-CG1 4.43Å; L66-I192 HydrophobicContact CD1-CG2 4.22Å
67G72.6Confident74.3Confident7 Ų755.3 Ų55.37%0.07233%0.327CS..  trans-62.6153.7169.600000110.5N69 D70 Y196G67-N69 PolarHBondContact O-N 3.13Å; G67-D70 PolarHBondContact O-N 3.14Å; G67-D70 VanDerWaalsContact O-N 3.1Å; G67-Y196 PolarHBondContact N-OH 2.93Å
68P70.1Confident73.9Confident119 Ų11955.1 Ų55.177%0.77332%0.324SS*.THydrogen-bonded Turntrans-59.3-25.4-170.921.7-32.5000114.2
69N81.2Confident74Confident110 Ų11054.4 Ų54.459%0.58831%0.309SS*.THydrogen-bonded Turntrans-1173.6179.8-63.9-23.7000113.2N55 G67N55-N69 HydrophobicContact CB-CB 4.27Å; N55-N69 PolarHBondContact ND2-O 3.39Å; G67-N69 PolarHBondContact O-N 3.13Å
70D87.8Confident74Confident10 Ų1054.4 Ų54.45%0.05331%0.305CS..  trans-92.6152.5-178.2-71.2-5.5000109.2L52 M53 K54 N55 L66 G67 Y196L52-D70 HydrophobicContact CD1-CB 4.31Å; M53-D70 WeakPolarHBondContact O-CA 3.31Å; M53-D70 WeakPolarHBondContact O-CB 3.44Å; K54-D70 VanDerWaalsContact CA-OD1 3.31Å; K54-D70 WeakPolarHBondContact CA-OD1 3.38Å; K54-D70 IonicContact NZ-OD2 3.39Å; K54-D70 PolarHBondContact NZ-OD2 3.28Å; N55-D70 PolarHBondContact N-OD1 2.84Å; L66-D70 WeakPolarHBondContact CD2-O 3.5Å; L66-D70 HydrophobicContact CG-CB 4.39Å; G67-D70 PolarHBondContact O-N 3.14Å; G67-D70 VanDerWaalsContact O-N 3.1Å; D70-Y196 WeakPolarHBondContact CB-OH 3.35Å; D70-Y196 VanDerWaalsContact OD2-CE1 3.31Å; D70-Y196 WeakPolarHBondContact OD2-CE1 3.47Å; D70-Y196 PolarHBondContact OD2-OH 2.94Å; D70-Y196 VanDerWaalsContact OD2-OH 3.1Å
71S89.8Confident74Confident24 Ų2452.9 Ų52.917%0.16829%0.288CS..EExtended strand (participates in β ladder)trans-130.5139-177.4-750000110.9Q16 L52 M53Q16-S71 PolarHBondContact OE1-OG 3.2Å; Q16-S71 VanDerWaalsContact OE1-OG 3.12Å; L52-S71 CarbonylContact C-O 3.59Å; L52-S71 WeakPolarHBondContact CA-O 3.43Å; M53-S71 PolarHBondContact N-O 3.41Å; M53-S71 PolarHBondContact O-N 3.03Å
72L90.8Very high73.8Confident51 Ų5156.1 Ų56.127%0.26731%0.31SS..EExtended strand (participates in β ladder)trans-121.8124178.7176.166000110.3L50 V51 L52 L66 I192 L195L50-L72 HydrophobicContact CB-CD1 4.38Å; L50-L72 HydrophobicContact CD2-CD1 4.44Å; V51-L72 WeakPolarHBondContact O-CA 3.28Å; V51-L72 WeakPolarHBondContact O-CD1 3.45Å; L52-L72 HydrophobicContact CB-CD1 4.23Å; L52-L72 HydrophobicContact CD1-CB 4.49Å; L66-L72 HydrophobicContact CD1-CB 3.75Å; L72-I192 HydrophobicContact CD2-CD1 4.19Å; L72-I192 HydrophobicContact CD2-CG1 3.59Å; L72-L195 HydrophobicContact CD1-CD1 3.9Å
73V92.3Very high73.7Confident4 Ų465.8 Ų65.82%0.02434%0.343CS..EExtended strand (participates in β ladder)trans-117.9137.4175.267.50000111.2V51 M53 L75 F95V51-V73 HydrophobicContact CB-CG1 3.81Å; V51-V73 HydrophobicContact CG1-CG1 4.5Å; V51-V73 PolarHBondContact N-O 2.98Å; V51-V73 PolarHBondContact O-N 3.41Å; M53-V73 HydrophobicContact CE-CB 4.42Å; M53-V73 HydrophobicContact CE-CG1 4.14Å; V73-L75 HydrophobicContact CG1-CD2 4.19Å; V73-L75 HydrophobicContact CG1-CG 4.39Å; V73-L75 HydrophobicContact CG2-CD2 3.88Å; V73-F95 HydrophobicContact CG2-CE1 4.42Å
74Y92.3Very high73.8Confident50 Ų5063.9 Ų63.920%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-99.1120168.3175.2-110.1000109.3S2 M28 L49 L50 K76S2-Y74 VanDerWaalsContact CB-O 3.23Å; S2-Y74 WeakPolarHBondContact CB-O 3.47Å; S2-Y74 PolarHBondContact N-O 2.66Å; S2-Y74 PolarHBondContact OG-O 3.45Å; M28-Y74 HydrophobicContact CB-CE2 4.46Å; M28-Y74 HydrophobicContact SD-CD2 4.41Å; M28-Y74 HydrophobicContact SD-CE2 3.81Å; L49-Y74 CarbonylContact O-C 3.27Å; L49-Y74 WeakPolarHBondContact O-CA 3.48Å; L50-Y74 HydrophobicContact CD2-CD2 3.67Å; L50-Y74 HydrophobicContact CD2-CG 4.2Å; L50-Y74 HydrophobicContact CG-CD2 3.99Å; Y74-K76 HydrophobicContact CE1-CB 4.34Å
75L90.9Very high73.8Confident1 Ų163.6 Ų63.61%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-104.2118.1178.3-54.7177.9000109.2G48 L49 V51 V73 F95 T96 M99 I100G48-L75 CarbonylContact C-O 3.56Å; G48-L75 WeakPolarHBondContact CA-O 3.39Å; L49-L75 HydrophobicContact CB-CB 4.23Å; L49-L75 HydrophobicContact CD1-CD1 4.47Å; L49-L75 PolarHBondContact N-O 3.29Å; L49-L75 PolarHBondContact O-N 2.76Å; V51-L75 HydrophobicContact CG2-CD1 3.87Å; V51-L75 HydrophobicContact CG2-CG 4.39Å; V73-L75 HydrophobicContact CG1-CD2 4.19Å; V73-L75 HydrophobicContact CG1-CG 4.39Å; V73-L75 HydrophobicContact CG2-CD2 3.88Å; L75-F95 HydrophobicContact CD2-CD1 4.35Å; L75-F95 HydrophobicContact CD2-CE1 3.77Å; L75-T96 HydrophobicContact CB-CG2 3.88Å; L75-T96 HydrophobicContact CD1-CG2 4.44Å; L75-M99 HydrophobicContact CD1-CB 4.05Å; L75-M99 HydrophobicContact CD1-CG 3.66Å; L75-M99 HydrophobicContact CD2-CB 4.29Å; L75-M99 HydrophobicContact CD2-CG 4.11Å; L75-M99 HydrophobicContact CG-CG 4.48Å; L75-I100 HydrophobicContact CD1-CG1 4.34Å
76K88.4Confident73.3Confident77 Ų7767.1 Ų67.134%0.33534%0.344SS..EExtended strand (participates in β ladder)trans-78129.3177.6-170.4170.1178.9170.60110Y74 E78Y74-K76 HydrophobicContact CE1-CB 4.34Å; K76-E78 WeakPolarHBondContact CE-OE2 3.49Å; K76-E78 HydrophobicContact CG-CB 4.49Å; K76-E78 IonicContact NZ-OE2 3.01Å; K76-E78 PolarHBondContact NZ-OE2 2.9Å
77L83.8Confident72.2Confident9 Ų972.8 Ų72.85%0.04737%0.369CS..  trans-106.2-13.5178.8-72.2-179.7000113.7V46 C47 L49 H79 T96 I100 T121 V125 Y126V46-L77 HydrophobicContact CG1-CD1 3.83Å; C47-L77 PolarHBondContact O-N 3.35Å; L49-L77 HydrophobicContact CD1-CD1 3.96Å; L49-L77 HydrophobicContact CD1-CD2 4.13Å; L49-L77 HydrophobicContact CD1-CG 4.25Å; L49-L77 HydrophobicContact CD2-CD1 3.84Å; L49-L77 HydrophobicContact CG-CD1 3.55Å; L49-L77 HydrophobicContact CG-CD2 4.44Å; L49-L77 HydrophobicContact CG-CG 4.02Å; L77-H79 PolarHBondContact O-N 2.99Å; L77-T96 HydrophobicContact CD2-CG2 4.16Å; L77-I100 HydrophobicContact CD2-CD1 3.97Å; L77-T121 HydrophobicContact CD1-CG2 4.31Å; L77-V125 HydrophobicContact CD2-CG1 4.46Å; L77-Y126 HydrophobicContact CD2-CE2 4.17Å
78E68.4Low71.1Confident72 Ų7278.8 Ų78.834%0.33640%0.398SS..PPolyproline II helixtrans-63121.4179.2-64.2-177.6147.300111.6Q30 C47 K76 N80Q30-E78 PolarHBondContact NE2-OE1 3.12Å; C47-E78 HydrophobicContact CB-CG 4.06Å; C47-E78 PolarHBondContact O-N 3.11Å; K76-E78 WeakPolarHBondContact CE-OE2 3.49Å; K76-E78 HydrophobicContact CG-CB 4.49Å; K76-E78 IonicContact NZ-OE2 3.01Å; K76-E78 PolarHBondContact NZ-OE2 2.9Å; E78-N80 PolarHBondContact O-N 3.49Å
79H62.7Low70.6Confident103 Ų10375.1 Ų75.148%0.47737%0.371SS..PPolyproline II helixtrans-78.7116.3167.9-76.5-70000109.8L77 V125L77-H79 PolarHBondContact O-N 2.99Å; H79-V125 WeakPolarHBondContact NE2-CG1 3.27Å
80N55.9Low69.7Low53 Ų5375.9 Ų75.928%0.28337%0.371SS..PPolyproline II helixtrans-66.9147163.4-74.1-26.4000109.7E78 A84 Q85 Q89E78-N80 PolarHBondContact O-N 3.49Å; N80-A84 HydrophobicContact CB-CB 4.15Å; N80-Q85 PolarHBondContact O-NE2 2.87Å; N80-Q89 PolarHBondContact ND2-NE2 3.37Å; N80-Q89 PolarHBondContact ND2-OE1 3.49Å
81P56.3Low68.7Low56 Ų5678.6 Ų78.636%0.36439%0.388SS..PPolyproline II helixtrans-51.5151.8173.9-24.332.6000111.8W83 A84P81-W83 VanDerWaalsContact CB-CD1 3.5Å; P81-W83 HydrophobicContact CB-CD2 4.16Å; P81-W83 HydrophobicContact CB-CG 4.12Å; P81-W83 HydrophobicContact CB-CZ2 4.13Å; P81-W83 HydrophobicContact CG-CZ2 3.93Å; P81-W83 PolarHBondContact O-N 3.39Å; P81-A84 PolarHBondContact O-N 3.38Å
82P54.2Low67.9Low112 Ų11279.2 Ų79.273%0.72739%0.388SS*.G310 helixtrans-53-33.7-177.4-25.732.7000113.8A84P82-A84 VanDerWaalsContact C-N 3.27Å; P82-A84 PolarHBondContact O-N 2.86Å
83W56.9Low67.2Low227 Ų22779.2 Ų79.286%0.8639%0.387SS*.G310 helixtrans-73.7-11.7179.358.2-98000114.6P81P81-W83 VanDerWaalsContact CB-CD1 3.5Å; P81-W83 HydrophobicContact CB-CD2 4.16Å; P81-W83 HydrophobicContact CB-CG 4.12Å; P81-W83 HydrophobicContact CB-CZ2 4.13Å; P81-W83 HydrophobicContact CG-CZ2 3.93Å; P81-W83 PolarHBondContact O-N 3.39Å
84A55.2Low66.7Low27 Ų2781 Ų8122%0.22340%0.398CS..G310 helixtrans-106.81.9-179.700000113.3N80 P81 P82 Q86 Q89N80-A84 HydrophobicContact CB-CB 4.15Å; P81-A84 PolarHBondContact O-N 3.38Å; P82-A84 VanDerWaalsContact C-N 3.27Å; P82-A84 PolarHBondContact O-N 2.86Å; A84-Q86 PolarHBondContact O-N 3.5Å; A84-Q89 PolarHBondContact O-NE2 3.02Å; A84-Q89 VanDerWaalsContact O-NE2 3.07Å; A84-Q89 PolarHBondContact O-OE1 3.38Å
85Q56.4Low66.5Low92 Ų9279 Ų7943%0.4339%0.39SS..  trans-81.494.8-179.4-69.4-180-200111.2N80N80-Q85 PolarHBondContact O-NE2 2.87Å
86Q56.9Low66.3Low144 Ų14479 Ų7967%0.67339%0.39SS*.  trans-82.8162169.8-68.8179.3-10.200111.7A84 L88 Q89 H90A84-Q86 PolarHBondContact O-N 3.5Å; Q86-L88 PolarHBondContact O-N 3.07Å; Q86-L88 VanDerWaalsContact O-N 3.12Å; Q86-Q89 WeakPolarHBondContact O-CB 3.23Å; Q86-Q89 PolarHBondContact O-N 3.27Å; Q86-H90 PolarHBondContact O-N 2.66Å
87Q52.8Low66.3Low180 Ų18079.3 Ų79.384%0.84139%0.389SS*.Hα-helixtrans-53.7-34.2-177.5-148.6171.40.100113.9Q89 H90 T91Q87-Q89 VanDerWaalsContact C-N 3.33Å; Q87-Q89 PolarHBondContact O-N 3.08Å; Q87-H90 PolarHBondContact O-N 3.01Å; Q87-T91 PolarHBondContact O-OG1 2.9Å
88L51.3Low66.5Low133 Ų13381.4 Ų81.470%0.69640%0.401SS*.Hα-helixtrans-66.4-30.9175.4-136.385.4000113.3Q86 Q92Q86-L88 PolarHBondContact O-N 3.07Å; Q86-L88 VanDerWaalsContact O-N 3.12Å; L88-Q92 PolarHBondContact O-N 3.43Å
89Q58.2Low67.6Low42 Ų4278 Ų7820%0.19639%0.385CS..Hα-helixtrans-76.7-31.4179.7-63.2-178.612.700111.8N80 A84 Q86 Q87 Q92 Q93N80-Q89 PolarHBondContact ND2-NE2 3.37Å; N80-Q89 PolarHBondContact ND2-OE1 3.49Å; A84-Q89 PolarHBondContact O-NE2 3.02Å; A84-Q89 VanDerWaalsContact O-NE2 3.07Å; A84-Q89 PolarHBondContact O-OE1 3.38Å; Q86-Q89 WeakPolarHBondContact O-CB 3.23Å; Q86-Q89 PolarHBondContact O-N 3.27Å; Q87-Q89 VanDerWaalsContact C-N 3.33Å; Q87-Q89 PolarHBondContact O-N 3.08Å; Q89-Q92 PolarHBondContact O-N 3.47Å; Q89-Q93 WeakPolarHBondContact O-CG 3.47Å; Q89-Q93 PolarHBondContact O-N 2.84Å
90H63.5Low68.9Low126 Ų12673.4 Ų73.458%0.58336%0.363SS*.Hα-helixtrans-61.8-46.3174.6-170.8-76.6000110.8Q86 Q87 Q92 Q93 T94Q86-H90 PolarHBondContact O-N 2.66Å; Q87-H90 PolarHBondContact O-N 3.01Å; H90-Q92 VanDerWaalsContact C-N 3.31Å; H90-Q92 PolarHBondContact O-N 3.47Å; H90-Q93 PolarHBondContact O-N 2.86Å; H90-T94 PolarHBondContact O-N 2.83Å; H90-T94 PolarHBondContact O-OG1 2.8Å
91T66.9Low70.4Confident67 Ų6772.6 Ų72.641%0.41136%0.359SS..Hα-helixtrans-63.9-35.5177.8-40.60000112.5Q87 F95Q87-T91 PolarHBondContact O-OG1 2.9Å; T91-F95 PolarHBondContact O-N 2.75Å
92Q73Confident72Confident38 Ų3871.4 Ų71.418%0.17835%0.352CS..Hα-helixtrans-68.2-43.7175.3-175-179.22.400112G3 L88 Q89 H90 T94 F95 T96G3-Q92 VanDerWaalsContact CA-CD 3.49Å; L88-Q92 PolarHBondContact O-N 3.43Å; Q89-Q92 PolarHBondContact O-N 3.47Å; H90-Q92 VanDerWaalsContact C-N 3.31Å; H90-Q92 PolarHBondContact O-N 3.47Å; Q92-T94 VanDerWaalsContact C-N 3.32Å; Q92-T94 PolarHBondContact O-N 3.44Å; Q92-F95 PolarHBondContact O-N 2.71Å; Q92-T96 PolarHBondContact O-N 2.57Å; Q92-T96 PolarHBondContact O-OG1 3.1Å
93Q76.1Confident73.7Confident51 Ų5166.3 Ų66.324%0.23832%0.319CS..Hα-helixtrans-62.8-40.5176.9-74.4175.3-0.900111.6Q89 H90 T96 R97Q89-Q93 WeakPolarHBondContact O-CG 3.47Å; Q89-Q93 PolarHBondContact O-N 2.84Å; H90-Q93 PolarHBondContact O-N 2.86Å; Q93-T96 PolarHBondContact O-N 3.25Å; Q93-R97 WeakPolarHBondContact O-CB 3.38Å; Q93-R97 PolarHBondContact O-N 2.65Å
94T81.6Confident75.2Confident42 Ų4255.8 Ų55.826%0.25828%0.279SS..Hα-helixtrans-60.5-48.8173.2-54.50000111.3H90 Q92 T96 R97 D98H90-T94 PolarHBondContact O-N 2.83Å; H90-T94 PolarHBondContact O-OG1 2.8Å; Q92-T94 VanDerWaalsContact C-N 3.32Å; Q92-T94 PolarHBondContact O-N 3.44Å; T94-T96 PolarHBondContact O-N 2.8Å; T94-R97 WeakPolarHBondContact O-CB 3.28Å; T94-R97 PolarHBondContact O-N 3.12Å; T94-D98 WeakPolarHBondContact O-CB 3.43Å; T94-D98 PolarHBondContact O-N 3.2Å
95F86.9Confident76.7Confident7 Ų759 Ų593%0.03130%0.3CS..Hα-helixtrans-59.6-46.8177.2170.9-100.5000112.7L5 R10 M13 L14 V73 L75 T91 Q92 R97 D98 M99L5-F95 HydrophobicContact CD1-CE1 4.38Å; L5-F95 HydrophobicContact CD1-CZ 4.2Å; R10-F95 HydrophobicContact CB-CD2 3.51Å; R10-F95 HydrophobicContact CB-CE2 3.66Å; R10-F95 HydrophobicContact CB-CG 4.24Å; R10-F95 HydrophobicContact CG-CB 4.49Å; R10-F95 HydrophobicContact CG-CD1 4.37Å; R10-F95 HydrophobicContact CG-CD2 3.65Å; R10-F95 HydrophobicContact CG-CE2 3.86Å; R10-F95 HydrophobicContact CG-CG 3.9Å; R10-F95 HydrophobicContact CG-CZ 4.31Å; R10-F95 VanDerWaalsContact O-CE2 3.29Å; R10-F95 WeakPolarHBondContact O-CE2 3.49Å; M13-F95 HydrophobicContact CB-CE2 4.22Å; M13-F95 HydrophobicContact CB-CZ 4.04Å; L14-F95 HydrophobicContact CD1-CD2 4.08Å; L14-F95 HydrophobicContact CD1-CE2 4.29Å; L14-F95 HydrophobicContact CD2-CE2 4.38Å; L14-F95 HydrophobicContact CG-CD2 4.12Å; L14-F95 HydrophobicContact CG-CE2 3.86Å; V73-F95 HydrophobicContact CG2-CE1 4.42Å; L75-F95 HydrophobicContact CD2-CD1 4.35Å; L75-F95 HydrophobicContact CD2-CE1 3.77Å; T91-F95 PolarHBondContact O-N 2.75Å; Q92-F95 PolarHBondContact O-N 2.71Å; F95-R97 VanDerWaalsContact C-N 3.29Å; F95-R97 PolarHBondContact O-N 2.98Å; F95-D98 PolarHBondContact O-N 2.93Å; F95-M99 HydrophobicContact CE1-CE 4.44Å; F95-M99 HydrophobicContact CE2-CE 3.83Å; F95-M99 HydrophobicContact CZ-CE 3.54Å; F95-M99 WeakPolarHBondContact O-CB 3.35Å; F95-M99 PolarHBondContact O-N 3.37Å
96T87.9Confident78.2Confident1 Ų156.4 Ų56.41%0.00629%0.286CS..Hα-helixtrans-58.7-44.4177.2-64.40000111L75 L77 Q92 Q93 T94 M99 I100 Y126L75-T96 HydrophobicContact CB-CG2 3.88Å; L75-T96 HydrophobicContact CD1-CG2 4.44Å; L77-T96 HydrophobicContact CD2-CG2 4.16Å; Q92-T96 PolarHBondContact O-N 2.57Å; Q92-T96 PolarHBondContact O-OG1 3.1Å; Q93-T96 PolarHBondContact O-N 3.25Å; T94-T96 PolarHBondContact O-N 2.8Å; T96-M99 PolarHBondContact O-N 2.79Å; T96-I100 HydrophobicContact CG2-CD1 3.79Å; T96-I100 VanDerWaalsContact O-CG1 3.27Å; T96-I100 WeakPolarHBondContact O-CG1 3.39Å; T96-I100 PolarHBondContact O-N 2.94Å; T96-Y126 WeakPolarHBondContact CG2-OH 3.29Å
97R86.6Confident79.4Confident83 Ų8355.5 Ų55.531%0.31330%0.296SS..Hα-helixtrans-61.6-47.7177.5-173.8-167.169.6178.3-0.1111.4Q93 T94 F95 M99 I100 L101 Y126Q93-R97 WeakPolarHBondContact O-CB 3.38Å; Q93-R97 PolarHBondContact O-N 2.65Å; T94-R97 WeakPolarHBondContact O-CB 3.28Å; T94-R97 PolarHBondContact O-N 3.12Å; F95-R97 VanDerWaalsContact C-N 3.29Å; F95-R97 PolarHBondContact O-N 2.98Å; R97-M99 VanDerWaalsContact C-N 3.31Å; R97-M99 PolarHBondContact O-N 2.97Å; R97-I100 PolarHBondContact O-N 3.16Å; R97-L101 HydrophobicContact CG-CD1 4.21Å; R97-L101 WeakPolarHBondContact O-CB 3.47Å; R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 3.45Å; R97-Y126 HydrophobicContact CB-CD1 4.37Å; R97-Y126 HydrophobicContact CB-CE1 3.75Å; R97-Y126 HydrophobicContact CG-CD1 3.99Å; R97-Y126 HydrophobicContact CG-CE1 3.9Å
98D88.6Confident81.1Confident54 Ų5450.4 Ų50.429%0.28927%0.271SS..Hα-helixtrans-67.1-35.3-177.6-63.9-11000111.1L14 T94 F95 L101 C102L14-D98 HydrophobicContact CD1-CB 4.39Å; L14-D98 HydrophobicContact CD2-CB 4.23Å; T94-D98 WeakPolarHBondContact O-CB 3.43Å; T94-D98 PolarHBondContact O-N 3.2Å; F95-D98 PolarHBondContact O-N 2.93Å; D98-L101 PolarHBondContact O-N 2.8Å; D98-C102 WeakPolarHBondContact O-CB 3.39Å; D98-C102 PolarHBondContact O-N 3.49Å
99M90.7Very high83.2Confident0 Ų046.1 Ų46.10%025%0.248CC..Hα-helixtrans-64.4-44.9172-173.863.27300111.6M13 L14 A17 L75 F95 T96 R97 C102 V103M13-M99 HydrophobicContact CB-CE 4.02Å; L14-M99 HydrophobicContact CD2-CB 4.06Å; L14-M99 HydrophobicContact CD2-CE 3.86Å; L14-M99 HydrophobicContact CD2-SD 4.12Å; L14-M99 HydrophobicContact CG-CE 4.2Å; A17-M99 HydrophobicContact CB-CE 4.09Å; A17-M99 HydrophobicContact CB-SD 3.39Å; A17-M99 WeakPolarHBondContact CB-SD 3.37Å; L75-M99 HydrophobicContact CD1-CB 4.05Å; L75-M99 HydrophobicContact CD1-CG 3.66Å; L75-M99 HydrophobicContact CD2-CB 4.29Å; L75-M99 HydrophobicContact CD2-CG 4.11Å; L75-M99 HydrophobicContact CG-CG 4.48Å; F95-M99 HydrophobicContact CE1-CE 4.44Å; F95-M99 HydrophobicContact CE2-CE 3.83Å; F95-M99 HydrophobicContact CZ-CE 3.54Å; F95-M99 WeakPolarHBondContact O-CB 3.35Å; F95-M99 PolarHBondContact O-N 3.37Å; T96-M99 PolarHBondContact O-N 2.79Å; R97-M99 VanDerWaalsContact C-N 3.31Å; R97-M99 PolarHBondContact O-N 2.97Å; M99-C102 WeakPolarHBondContact O-CB 3.39Å; M99-C102 PolarHBondContact O-N 3.49Å; M99-V103 WeakPolarHBondContact O-CG2 3.25Å; M99-V103 PolarHBondContact O-N 3.22Å
100I90.9Very high85Confident6 Ų644.3 Ų44.33%0.03124%0.24CC..Hα-helixtrans-62.6-45.1175.7-71.5165.8000110.5L49 L75 L77 T96 R97 C102 V103 L104 V122 Y126L49-I100 HydrophobicContact CD1-CD1 3.85Å; L49-I100 HydrophobicContact CD1-CG1 3.97Å; L75-I100 HydrophobicContact CD1-CG1 4.34Å; L77-I100 HydrophobicContact CD2-CD1 3.97Å; T96-I100 HydrophobicContact CG2-CD1 3.79Å; T96-I100 VanDerWaalsContact O-CG1 3.27Å; T96-I100 WeakPolarHBondContact O-CG1 3.39Å; T96-I100 PolarHBondContact O-N 2.94Å; R97-I100 PolarHBondContact O-N 3.16Å; I100-C102 VanDerWaalsContact C-N 3.3Å; I100-C102 PolarHBondContact O-N 2.94Å; I100-V103 PolarHBondContact O-N 3.21Å; I100-V103 VanDerWaalsContact O-N 3.16Å; I100-L104 HydrophobicContact CG2-CD1 3.64Å; I100-L104 HydrophobicContact CG2-CG 4.14Å; I100-L104 WeakPolarHBondContact O-CB 3.39Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 2.92Å; I100-V122 HydrophobicContact CG2-CG1 3.58Å; I100-V122 HydrophobicContact CG2-CG2 4.1Å; I100-Y126 HydrophobicContact CD1-CD2 4.38Å; I100-Y126 HydrophobicContact CD1-CE2 3.54Å
101L88.2Confident86.5Confident36 Ų3638.3 Ų38.319%0.18821%0.212CC..Hα-helixtrans-60.8-40175.8-75.2173.3000111.9R97 D98 L104 S105 L130R97-L101 HydrophobicContact CG-CD1 4.21Å; R97-L101 WeakPolarHBondContact O-CB 3.47Å; R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 3.45Å; D98-L101 PolarHBondContact O-N 2.8Å; L101-L104 PolarHBondContact O-N 3.37Å; L101-S105 VanDerWaalsContact O-CB 3.27Å; L101-S105 WeakPolarHBondContact O-CB 3.3Å; L101-S105 PolarHBondContact O-N 3Å; L101-S105 PolarHBondContact O-OG 3.17Å; L101-L130 HydrophobicContact CD2-CD1 3.51Å
102C89.4Confident87.9Confident31 Ų3135.1 Ų35.121%0.20919%0.193CC..Hα-helixtrans-57-54.4171.5-175.60000109.4D98 M99 I100 L104 S105 R106D98-C102 WeakPolarHBondContact O-CB 3.39Å; D98-C102 PolarHBondContact O-N 3.49Å; M99-C102 WeakPolarHBondContact O-CB 3.39Å; M99-C102 PolarHBondContact O-N 3.49Å; I100-C102 VanDerWaalsContact C-N 3.3Å; I100-C102 PolarHBondContact O-N 2.94Å; C102-L104 VanDerWaalsContact C-N 3.33Å; C102-L104 PolarHBondContact O-N 3.24Å; C102-S105 PolarHBondContact O-N 3.03Å; C102-R106 VanDerWaalsContact O-CD 3.25Å; C102-R106 WeakPolarHBondContact O-CD 3.41Å; C102-R106 WeakPolarHBondContact O-CG 3.25Å; C102-R106 PolarHBondContact O-N 2.93Å
103V89.9Confident89Confident6 Ų633.5 Ų33.54%0.03619%0.185CC..Hα-helixtrans-55.9-44.6178.2174.50000112.7V23 L25 V51 M99 I100 V110V23-V103 HydrophobicContact CG1-CG1 4.47Å; V23-V103 HydrophobicContact CG1-CG2 4.15Å; L25-V103 HydrophobicContact CD2-CG1 3.72Å; V51-V103 HydrophobicContact CG1-CG2 4.45Å; M99-V103 WeakPolarHBondContact O-CG2 3.25Å; M99-V103 PolarHBondContact O-N 3.22Å; I100-V103 PolarHBondContact O-N 3.21Å; I100-V103 VanDerWaalsContact O-N 3.16Å; V103-V110 HydrophobicContact CG1-CG1 3.84Å; V103-V110 HydrophobicContact CG1-CG2 4.33Å
104L88.3Confident89.8Confident6 Ų632.4 Ų32.43%0.03118%0.179CC..Hα-helixtrans-72-29.6-175.6-67.7171.6000113.9I100 L101 C102 F118 L119 V122 L130 V135 C138 I140I100-L104 HydrophobicContact CG2-CD1 3.64Å; I100-L104 HydrophobicContact CG2-CG 4.14Å; I100-L104 WeakPolarHBondContact O-CB 3.39Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 2.92Å; L101-L104 PolarHBondContact O-N 3.37Å; C102-L104 VanDerWaalsContact C-N 3.33Å; C102-L104 PolarHBondContact O-N 3.24Å; L104-F118 HydrophobicContact CD2-CE1 4.22Å; L104-L119 HydrophobicContact CD2-CD2 3.47Å; L104-L119 VanDerWaalsContact CD2-CD2 3.47Å; L104-V122 HydrophobicContact CD1-CG1 4.12Å; L104-L130 HydrophobicContact CD1-CD2 4.15Å; L104-V135 HydrophobicContact CD1-CG1 3.98Å; L104-C138 HydrophobicContact CD2-CB 4.44Å; L104-C138 PolarHBondContact O-SG 3.41Å; L104-C138 VanDerWaalsContact O-SG 3.41Å; L104-I140 HydrophobicContact CD2-CD1 4.42Å
105S86Confident90.5Very high93 Ų9330.4 Ų30.465%0.6517%0.167SC*.THydrogen-bonded Turntrans-94.24.1-174.7-47.60000113.1L101 C102L101-S105 VanDerWaalsContact O-CB 3.27Å; L101-S105 WeakPolarHBondContact O-CB 3.3Å; L101-S105 PolarHBondContact O-N 3Å; L101-S105 PolarHBondContact O-OG 3.17Å; C102-S105 PolarHBondContact O-N 3.03Å
106R87.8Confident90.9Very high38 Ų3831.1 Ų31.114%0.14317%0.17CC..  trans-77.8144.3-175.7-82.8162.983.964.32.6113.1A17 G18 A20 C102A17-R106 PolarHBondContact O-NH1 3.13Å; A17-R106 PolarHBondContact O-NH2 3.5Å; G18-R106 PolarHBondContact O-NH1 3.15Å; A20-R106 PolarHBondContact O-NH2 3.35Å; C102-R106 VanDerWaalsContact O-CD 3.25Å; C102-R106 WeakPolarHBondContact O-CD 3.41Å; C102-R106 WeakPolarHBondContact O-CG 3.25Å; C102-R106 PolarHBondContact O-N 2.93Å
107S82Confident91.1Very high126 Ų12632.7 Ų32.788%0.88118%0.179SC*.SBendtrans-88-19.6167.955.40000113.4
108K90.2Very high91.5Very high72 Ų7228.9 Ų28.931%0.31316%0.164SC..SBendtrans-79.2167.9178.4-66.8-170.5176.3-1660111.8Q19 A20 E21 V110Q19-K108 PolarHBondContact O-NZ 2.93Å; A20-K108 WeakPolarHBondContact O-CD 3.25Å; A20-K108 PolarHBondContact O-NZ 3.5Å; E21-K108 IonicContact OE1-NZ 2.69Å; E21-K108 PolarHBondContact OE1-NZ 3.45Å; E21-K108 IonicContact OE2-NZ 3.69Å; K108-V110 PolarHBondContact O-N 2.67Å
109L93.9Very high91.8Very high44 Ų4426.4 Ų26.423%0.2315%0.151CC..EExtended strand (participates in β ladder)trans-60.4126.4-174.317758.1000112.5A22 V23 V111 Q141 F199A22-L109 CarbonylContact C-O 3.57Å; A22-L109 WeakPolarHBondContact CA-O 3.35Å; A22-L109 HydrophobicContact CB-CB 4.06Å; A22-L109 HydrophobicContact CB-CD2 4.02Å; A22-L109 HydrophobicContact CB-CG 4.12Å; V23-L109 PolarHBondContact N-O 2.98Å; L109-V111 HydrophobicContact CD1-CG2 3.85Å; L109-V111 HydrophobicContact CD2-CG2 4.24Å; L109-V111 HydrophobicContact CG-CG2 3.93Å; L109-Q141 HydrophobicContact CD1-CB 4.29Å; L109-Q141 HydrophobicContact CD1-CG 3.43Å; L109-Q141 VanDerWaalsContact CD1-CG 3.43Å; L109-F199 HydrophobicContact CD2-CD2 4.5Å; L109-F199 HydrophobicContact CD2-CE2 3.79Å
110V95.8Very high91.9Very high3 Ų329.2 Ų29.22%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-121.9127.6168.2-171.90000109V23 L25 V103 K108 I140 Q141V23-V110 HydrophobicContact CB-CG1 4.49Å; V23-V110 HydrophobicContact CB-CG2 4.46Å; V23-V110 CarbonylContact O-C 3.16Å; V23-V110 VanDerWaalsContact O-CA 3.28Å; V23-V110 WeakPolarHBondContact O-CA 3.44Å; L25-V110 HydrophobicContact CD2-CG1 3.76Å; V103-V110 HydrophobicContact CG1-CG1 3.84Å; V103-V110 HydrophobicContact CG1-CG2 4.33Å; K108-V110 PolarHBondContact O-N 2.67Å; V110-I140 HydrophobicContact CB-CG1 4.46Å; V110-I140 HydrophobicContact CG1-CG1 4.25Å; V110-I140 HydrophobicContact CG1-CG2 4.09Å; V110-Q141 WeakPolarHBondContact O-CB 3.01Å; V110-Q141 PolarHBondContact O-N 2.91Å
111V96.8Very high92Very high0 Ų029.7 Ų29.70%017%0.165CC..EExtended strand (participates in β ladder)trans-118.5127.5179.8-174.50000109.9V23 V24 L25 L109 Q141 P143 L198 H202V23-V111 PolarHBondContact O-N 3.38Å; V24-V111 WeakPolarHBondContact CA-O 3.18Å; V24-V111 HydrophobicContact CG1-CB 4.35Å; L25-V111 PolarHBondContact N-O 2.9Å; L109-V111 HydrophobicContact CD1-CG2 3.85Å; L109-V111 HydrophobicContact CD2-CG2 4.24Å; L109-V111 HydrophobicContact CG-CG2 3.93Å; V111-Q141 WeakPolarHBondContact CA-O 3.34Å; V111-Q141 HydrophobicContact CG2-CB 4.35Å; V111-P143 HydrophobicContact CG1-CG 4Å; V111-L198 HydrophobicContact CG1-CD2 4.36Å; V111-L198 HydrophobicContact CG1-CG 4Å; V111-H202 HydrophobicContact CG1-CB 3.84Å; V111-H202 HydrophobicContact CG2-CB 4.28Å
112C96.3Very high92.1Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-145.3128174.8-178.20000110.2L25 A115 I140 Q141 D142L25-C112 HydrophobicContact CD1-CB 3.69Å; L25-C112 WeakPolarHBondContact CD1-SG 3.48Å; L25-C112 HydrophobicContact CG-CB 3.96Å; C112-A115 HydrophobicContact CB-CB 4.1Å; C112-I140 HydrophobicContact CB-CG2 3.46Å; C112-I140 VanDerWaalsContact CB-CG2 3.46Å; C112-Q141 PolarHBondContact N-O 2.96Å; C112-D142 WeakPolarHBondContact O-CA 3.32Å
113Y94.8Very high92.2Very high5 Ų527 Ų272%0.0215%0.148CC..THydrogen-bonded Turntrans-72.8127.7169.7-174.5-105.8000109.6Q35 L36 Q144 S157 F159 L162Q35-Y113 HydrophobicContact CB-CD1 4.29Å; Q35-Y113 PolarHBondContact NE2-O 2.89Å; Q35-Y113 VanDerWaalsContact O-CD1 3.22Å; Q35-Y113 WeakPolarHBondContact O-CD1 3.37Å; Q35-Y113 WeakPolarHBondContact O-CE1 3.34Å; L36-Y113 HydrophobicContact CD2-CD1 4.3Å; L36-Y113 HydrophobicContact CD2-CG 4.12Å; Y113-Q144 HydrophobicContact CD2-CB 3.99Å; Y113-Q144 HydrophobicContact CE2-CB 3.56Å; Y113-Q144 HydrophobicContact CE2-CG 3.98Å; Y113-S157 PolarHBondContact OH-O 2.93Å; Y113-S157 VanDerWaalsContact OH-O 3.11Å; Y113-F159 HydrophobicContact CD1-CB 4.47Å; Y113-F159 HydrophobicContact CE1-CB 4.24Å; Y113-F159 HydrophobicContact CE2-CB 4.29Å; Y113-F159 PolarHBondContact OH-N 3.32Å; Y113-L162 HydrophobicContact CE2-CD1 3.92Å
114K93.5Very high92.1Very high27 Ų2731 Ų3112%0.11717%0.169CC..THydrogen-bonded Turntrans58.454.2-171.8-61.9170.1171.1178.40112.2Q35 E39 K116 D117 F118 D142Q35-K114 PolarHBondContact NE2-O 3.09Å; E39-K114 WeakPolarHBondContact OE1-CE 3.06Å; E39-K114 IonicContact OE1-NZ 2.85Å; E39-K114 PolarHBondContact OE1-NZ 2.98Å; K114-K116 PolarHBondContact O-N 3.13Å; K114-K116 VanDerWaalsContact O-N 3.15Å; K114-D117 HydrophobicContact CB-CB 4.4Å; K114-D117 PolarHBondContact O-N 2.81Å; K114-F118 PolarHBondContact O-N 3.28Å; K114-D142 WeakPolarHBondContact CA-OD2 3.26Å; K114-D142 PolarHBondContact N-OD1 2.93Å; K114-D142 VanDerWaalsContact N-OD1 3.17Å; K114-D142 PolarHBondContact N-OD2 3.27Å; K114-D142 VanDerWaalsContact N-OD2 3.15Å
115A95.3Very high92Very high0 Ų032.7 Ų32.70%018%0.18CC..Hα-helixtrans-57.4-31.1-17700000113.3C112 D117 F118 L119 I140 D142 I226C112-A115 HydrophobicContact CB-CB 4.1Å; A115-D117 VanDerWaalsContact C-N 3.34Å; A115-D117 PolarHBondContact O-N 3.37Å; A115-F118 WeakPolarHBondContact O-CB 3.4Å; A115-F118 PolarHBondContact O-N 3.43Å; A115-L119 WeakPolarHBondContact O-CG 3.19Å; A115-L119 PolarHBondContact O-N 3.41Å; A115-I140 HydrophobicContact CB-CB 3.95Å; A115-I140 HydrophobicContact CB-CG2 3.6Å; A115-D142 HydrophobicContact CB-CB 4.08Å; A115-D142 PolarHBondContact N-OD2 3.31Å; A115-I226 HydrophobicContact CB-CD1 4.32Å; A115-I226 HydrophobicContact CB-CG2 3.79Å
116K95.1Very high91.9Very high22 Ų2229 Ų2910%0.09615%0.152CC..Hα-helixtrans-59.5-43.5175-176-150.761.8164.90111.6K114 F118 L119 R120 I226 L229 A230 E233 W358K114-K116 PolarHBondContact O-N 3.13Å; K114-K116 VanDerWaalsContact O-N 3.15Å; K116-F118 VanDerWaalsContact C-N 3.33Å; K116-L119 PolarHBondContact O-N 3.34Å; K116-R120 VanDerWaalsContact O-CB 3.3Å; K116-R120 WeakPolarHBondContact O-CB 3.35Å; K116-R120 PolarHBondContact O-N 2.88Å; K116-I226 HydrophobicContact CB-CG2 4.01Å; K116-L229 HydrophobicContact CD-CB 3.93Å; K116-L229 HydrophobicContact CG-CB 4.09Å; K116-A230 HydrophobicContact CG-CB 4.05Å; K116-E233 WeakPolarHBondContact CE-OE1 3.45Å; K116-E233 IonicContact NZ-OE1 2.94Å; K116-E233 PolarHBondContact NZ-OE1 3.13Å; K116-E233 IonicContact NZ-OE2 3.9Å; K116-W358 PolarHBondContact NZ-O 3.48Å
117D93.6Very high91.6Very high34 Ų3434.2 Ų34.218%0.18218%0.175CC..Hα-helixtrans-68.4-36.6-178.8-67.6-22.1000111.1M27 K114 A115 R120 T121M27-D117 HydrophobicContact CE-CB 3.64Å; K114-D117 HydrophobicContact CB-CB 4.4Å; K114-D117 PolarHBondContact O-N 2.81Å; A115-D117 VanDerWaalsContact C-N 3.34Å; A115-D117 PolarHBondContact O-N 3.37Å; D117-R120 IonicContact OD1-CZ 2.84Å; D117-R120 IonicContact OD1-NH2 4Å; D117-T121 WeakPolarHBondContact O-CB 3.35Å; D117-T121 PolarHBondContact O-N 3.44Å; D117-T121 PolarHBondContact O-OG1 2.97Å
118F94.6Very high91.5Very high4 Ų437.2 Ų37.22%0.01818%0.175CC..Hα-helixtrans-60.3-55.1171.7163.9-107.4000111.3L25 M27 L49 L104 K114 A115 K116 R120 T121 V122 I140L25-F118 HydrophobicContact CD1-CB 4.45Å; L25-F118 HydrophobicContact CD1-CD1 4.03Å; L25-F118 HydrophobicContact CD1-CD2 3.66Å; L25-F118 HydrophobicContact CD1-CE1 4.18Å; L25-F118 HydrophobicContact CD1-CE2 3.82Å; L25-F118 HydrophobicContact CD1-CG 3.76Å; L25-F118 HydrophobicContact CD1-CZ 4.08Å; L25-F118 HydrophobicContact CD2-CE1 4.22Å; L25-F118 HydrophobicContact CD2-CZ 4.09Å; M27-F118 HydrophobicContact CG-CB 4.43Å; M27-F118 HydrophobicContact CG-CD2 4.39Å; M27-F118 HydrophobicContact SD-CB 4.39Å; L49-F118 HydrophobicContact CD1-CE2 3.75Å; L49-F118 HydrophobicContact CD2-CD2 3.73Å; L49-F118 HydrophobicContact CD2-CE2 3.78Å; L49-F118 HydrophobicContact CG-CE2 4.39Å; L104-F118 HydrophobicContact CD2-CE1 4.22Å; K114-F118 PolarHBondContact O-N 3.28Å; A115-F118 WeakPolarHBondContact O-CB 3.4Å; A115-F118 PolarHBondContact O-N 3.43Å; K116-F118 VanDerWaalsContact C-N 3.33Å; F118-R120 VanDerWaalsContact C-N 3.34Å; F118-R120 PolarHBondContact O-N 3.12Å; F118-T121 WeakPolarHBondContact O-CB 3.4Å; F118-T121 PolarHBondContact O-N 2.95Å; F118-T121 VanDerWaalsContact O-N 3.11Å; F118-V122 HydrophobicContact CD2-CG2 4.08Å; F118-V122 HydrophobicContact CE1-CG2 4.48Å; F118-V122 HydrophobicContact CE2-CG2 3.58Å; F118-V122 HydrophobicContact CZ-CG2 3.82Å; F118-V122 WeakPolarHBondContact O-CG2 3.21Å; F118-V122 PolarHBondContact O-N 3.21Å; F118-I140 HydrophobicContact CD1-CD1 3.6Å; F118-I140 HydrophobicContact CE1-CD1 3.51Å
119L94.8Very high90.9Very high1 Ų138.2 Ų38.21%0.00518%0.184CC..Hα-helixtrans-59.6-43.9-179.5-73.6177.5000112.3L104 A115 K116 T121 V122 L123 I140 I226 T227 A230L104-L119 HydrophobicContact CD2-CD2 3.47Å; L104-L119 VanDerWaalsContact CD2-CD2 3.47Å; A115-L119 WeakPolarHBondContact O-CG 3.19Å; A115-L119 PolarHBondContact O-N 3.41Å; K116-L119 PolarHBondContact O-N 3.34Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 2.94Å; L119-V122 PolarHBondContact O-N 3.45Å; L119-L123 WeakPolarHBondContact O-CB 3.21Å; L119-L123 VanDerWaalsContact O-CG 3.31Å; L119-L123 WeakPolarHBondContact O-CG 3.46Å; L119-L123 PolarHBondContact O-N 3.44Å; L119-I140 HydrophobicContact CD1-CD1 4.39Å; L119-I140 HydrophobicContact CD2-CD1 3.68Å; L119-I140 HydrophobicContact CG-CD1 3.96Å; L119-I226 HydrophobicContact CD1-CG2 4.06Å; L119-T227 HydrophobicContact CD1-CG2 3.7Å; L119-A230 HydrophobicContact CB-CB 3.55Å; L119-A230 HydrophobicContact CD1-CB 4.29Å
120R93.3Very high90.4Very high59 Ų5936.7 Ų36.722%0.22318%0.176CC..Hα-helixtrans-59.3-44.9175.4-179-169.370-178.5-3.7111.2K116 D117 F118 L123 L124 A230 E233K116-R120 VanDerWaalsContact O-CB 3.3Å; K116-R120 WeakPolarHBondContact O-CB 3.35Å; K116-R120 PolarHBondContact O-N 2.88Å; D117-R120 IonicContact OD1-CZ 2.84Å; D117-R120 IonicContact OD1-NH2 4Å; F118-R120 VanDerWaalsContact C-N 3.34Å; F118-R120 PolarHBondContact O-N 3.12Å; R120-L123 PolarHBondContact O-N 2.85Å; R120-L124 HydrophobicContact CG-CD1 3.94Å; R120-L124 HydrophobicContact CG-CG 4.41Å; R120-L124 WeakPolarHBondContact O-CB 3.35Å; R120-L124 VanDerWaalsContact O-CG 3.26Å; R120-L124 WeakPolarHBondContact O-CG 3.4Å; R120-L124 PolarHBondContact O-N 2.87Å; R120-A230 HydrophobicContact CB-CB 4.44Å; R120-E233 WeakPolarHBondContact CD-OE2 3.29Å; R120-E233 HydrophobicContact CG-CB 4.1Å; R120-E233 IonicContact CZ-OE2 2.68Å; R120-E233 IonicContact NE-OE2 3.86Å; R120-E233 IonicContact NH1-OE2 3.99Å; R120-E233 PolarHBondContact NH1-OE2 3.4Å
121T92Very high90Very high17 Ų1739.3 Ų39.310%0.10420%0.195CC..Hα-helixtrans-61.2-46.5178.9-58.50000110.6M27 V46 L77 D117 F118 L119 L123 L124 V125M27-T121 HydrophobicContact SD-CG2 4.21Å; V46-T121 HydrophobicContact CB-CG2 4.15Å; V46-T121 HydrophobicContact CG1-CG2 4.18Å; V46-T121 HydrophobicContact CG2-CG2 4.15Å; L77-T121 HydrophobicContact CD1-CG2 4.31Å; D117-T121 WeakPolarHBondContact O-CB 3.35Å; D117-T121 PolarHBondContact O-N 3.44Å; D117-T121 PolarHBondContact O-OG1 2.97Å; F118-T121 WeakPolarHBondContact O-CB 3.4Å; F118-T121 PolarHBondContact O-N 2.95Å; F118-T121 VanDerWaalsContact O-N 3.11Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 2.94Å; T121-L123 PolarHBondContact O-N 3.27Å; T121-L124 PolarHBondContact O-N 3.01Å; T121-V125 HydrophobicContact CG2-CG2 4.25Å; T121-V125 WeakPolarHBondContact O-CB 3.35Å; T121-V125 VanDerWaalsContact O-CG2 3.24Å; T121-V125 WeakPolarHBondContact O-CG2 3.5Å; T121-V125 PolarHBondContact O-N 3.27Å
122V91Very high89.6Confident1 Ų140.7 Ų40.71%0.00620%0.2CC..Hα-helixtrans-59.6-46.1176.3170.80000111.8I100 L104 F118 L119 L124 V125 Y126 L130I100-V122 HydrophobicContact CG2-CG1 3.58Å; I100-V122 HydrophobicContact CG2-CG2 4.1Å; L104-V122 HydrophobicContact CD1-CG1 4.12Å; F118-V122 HydrophobicContact CD2-CG2 4.08Å; F118-V122 HydrophobicContact CE1-CG2 4.48Å; F118-V122 HydrophobicContact CE2-CG2 3.58Å; F118-V122 HydrophobicContact CZ-CG2 3.82Å; F118-V122 WeakPolarHBondContact O-CG2 3.21Å; F118-V122 PolarHBondContact O-N 3.21Å; L119-V122 PolarHBondContact O-N 3.45Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 3.1Å; V122-V125 PolarHBondContact O-N 3.01Å; V122-Y126 HydrophobicContact CG1-CD2 4.27Å; V122-Y126 PolarHBondContact O-N 3.23Å; V122-L130 HydrophobicContact CG1-CD2 3.67Å
123L91.5Very high89.3Confident8 Ų843.4 Ų43.44%0.04221%0.212CC..Hα-helixtrans-62.7-35.1177.9-74.3170.8000113.1L119 R120 T121 K127 L130 W132 V135 V231L119-L123 WeakPolarHBondContact O-CB 3.21Å; L119-L123 VanDerWaalsContact O-CG 3.31Å; L119-L123 WeakPolarHBondContact O-CG 3.46Å; L119-L123 PolarHBondContact O-N 3.44Å; R120-L123 PolarHBondContact O-N 2.85Å; T121-L123 PolarHBondContact O-N 3.27Å; L123-K127 VanDerWaalsContact O-CA 3.25Å; L123-K127 WeakPolarHBondContact O-CA 3.39Å; L123-K127 WeakPolarHBondContact O-CB 3.27Å; L123-K127 PolarHBondContact O-N 3.46Å; L123-L130 HydrophobicContact CD2-CD2 4.27Å; L123-W132 HydrophobicContact CD2-CB 4.35Å; L123-V135 HydrophobicContact CD1-CG2 4.07Å; L123-V135 HydrophobicContact CD2-CG1 3.97Å; L123-V135 HydrophobicContact CD2-CG2 3.86Å; L123-V135 HydrophobicContact CG-CG2 4.28Å; L123-V231 HydrophobicContact CD1-CG2 3.89Å
124L88.2Confident88.8Confident91 Ų9150.7 Ų50.748%0.47624%0.239SC..Hα-helixtrans-75.9-41.7178.8-71.7173.8000112.1R120 T121 V122R120-L124 HydrophobicContact CG-CD1 3.94Å; R120-L124 HydrophobicContact CG-CG 4.41Å; R120-L124 WeakPolarHBondContact O-CB 3.35Å; R120-L124 VanDerWaalsContact O-CG 3.26Å; R120-L124 WeakPolarHBondContact O-CG 3.4Å; R120-L124 PolarHBondContact O-N 2.87Å; T121-L124 PolarHBondContact O-N 3.01Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 3.1Å
125V85.8Confident88.5Confident41 Ų4149.4 Ų49.425%0.24823%0.234CC..Hα-helixtrans-66.6-48178.51720000110.3L77 H79 T121 V122 K127L77-V125 HydrophobicContact CD2-CG1 4.46Å; H79-V125 WeakPolarHBondContact NE2-CG1 3.27Å; T121-V125 HydrophobicContact CG2-CG2 4.25Å; T121-V125 WeakPolarHBondContact O-CB 3.35Å; T121-V125 VanDerWaalsContact O-CG2 3.24Å; T121-V125 WeakPolarHBondContact O-CG2 3.5Å; T121-V125 PolarHBondContact O-N 3.27Å; V122-V125 PolarHBondContact O-N 3.01Å; V125-K127 PolarHBondContact O-N 2.84Å
126Y84.1Confident88Confident15 Ų1549.6 Ų49.66%0.05924%0.235CC..THydrogen-bonded Turntrans-99.827.9-176-65.6-77.4000113.8L77 T96 R97 I100 V122 Q128 D129 L130L77-Y126 HydrophobicContact CD2-CE2 4.17Å; T96-Y126 WeakPolarHBondContact CG2-OH 3.29Å; R97-Y126 HydrophobicContact CB-CD1 4.37Å; R97-Y126 HydrophobicContact CB-CE1 3.75Å; R97-Y126 HydrophobicContact CG-CD1 3.99Å; R97-Y126 HydrophobicContact CG-CE1 3.9Å; I100-Y126 HydrophobicContact CD1-CD2 4.38Å; I100-Y126 HydrophobicContact CD1-CE2 3.54Å; V122-Y126 HydrophobicContact CG1-CD2 4.27Å; V122-Y126 PolarHBondContact O-N 3.23Å; Y126-Q128 PolarHBondContact O-N 3.39Å; Y126-D129 PolarHBondContact O-N 2.98Å; Y126-L130 WeakPolarHBondContact O-CB 3.28Å; Y126-L130 PolarHBondContact O-N 3.46Å
127K81.7Confident87.5Confident148 Ų14851.3 Ų51.364%0.64326%0.26SS*.THydrogen-bonded Turntrans-54.2-30.5-173.3-173.7177.71781800114.7L123 V125L123-K127 VanDerWaalsContact O-CA 3.25Å; L123-K127 WeakPolarHBondContact O-CA 3.39Å; L123-K127 WeakPolarHBondContact O-CB 3.27Å; L123-K127 PolarHBondContact O-N 3.46Å; V125-K127 PolarHBondContact O-N 2.84Å
128Q79.4Confident87.2Confident189 Ų18950 Ų5088%0.88325%0.253SS*.THydrogen-bonded Turntrans-79.7-33179.9-65.3-176.1-4.600112.6Y126Y126-Q128 PolarHBondContact O-N 3.39Å
129D78.6Confident87Confident94 Ų9453.7 Ų53.750%0.50327%0.27SS..THydrogen-bonded Turntrans-101.8-23.4-172-59.6-43.5000113.3Y126Y126-D129 PolarHBondContact O-N 2.98Å
130L82.7Confident87Confident12 Ų1253.8 Ų53.86%0.06327%0.271CS..  trans-117104.3-172.9-170.272000110.7L101 L104 V122 L123 Y126 R134 V135L101-L130 HydrophobicContact CD2-CD1 3.51Å; L104-L130 HydrophobicContact CD1-CD2 4.15Å; V122-L130 HydrophobicContact CG1-CD2 3.67Å; L123-L130 HydrophobicContact CD2-CD2 4.27Å; Y126-L130 WeakPolarHBondContact O-CB 3.28Å; Y126-L130 PolarHBondContact O-N 3.46Å; L130-R134 HydrophobicContact CD1-CB 3.87Å; L130-R134 HydrophobicContact CD1-CG 4.48Å; L130-V135 HydrophobicContact CD2-CG1 3.84Å; L130-V135 HydrophobicContact CG-CG1 4.36Å
131S86.9Confident87.1Confident58 Ų5852 Ų5241%0.40627%0.265SS..  trans-66.8140.3167.8177.20000110.6K133 R134S131-K133 PolarHBondContact O-N 3.48Å; S131-K133 VanDerWaalsContact O-N 3.09Å; S131-K133 PolarHBondContact OG-N 2.93Å; S131-R134 WeakPolarHBondContact O-CB 3.4Å; S131-R134 PolarHBondContact O-N 3.34Å
132W89.1Confident87.3Confident29 Ų2951.4 Ų51.411%0.1126%0.261CS..Hα-helixtrans-56.4-27174.771.4-95.9000112.8L123 R134 V135 A136 V231 H235 F581 V584L123-W132 HydrophobicContact CD2-CB 4.35Å; W132-R134 PolarHBondContact O-N 2.91Å; W132-V135 WeakPolarHBondContact O-CG2 3.25Å; W132-V135 PolarHBondContact O-N 3.29Å; W132-V135 VanDerWaalsContact O-N 3.13Å; W132-A136 PolarHBondContact O-N 3.04Å; W132-V231 HydrophobicContact CB-CB 4.47Å; W132-V231 HydrophobicContact CB-CG1 3.77Å; W132-V231 HydrophobicContact CB-CG2 3.83Å; W132-V231 HydrophobicContact CD2-CG1 3.95Å; W132-V231 HydrophobicContact CE3-CG1 3.99Å; W132-V231 HydrophobicContact CE3-CG2 4.31Å; W132-V231 HydrophobicContact CG-CG1 3.89Å; W132-H235 AromaticContact CD1-NE2 3.94Å; W132-F581 HydrophobicContact CE3-CD2 4.4Å; W132-F581 AromaticContact CE3-CE2 3.52Å; W132-F581 HydrophobicContact CE3-CE2 3.52Å; W132-F581 AromaticContact CE3-CZ 3.73Å; W132-F581 HydrophobicContact CE3-CZ 3.73Å; W132-F581 HydrophobicContact CH2-CD2 4.4Å; W132-F581 HydrophobicContact CH2-CE2 4.28Å; W132-F581 AromaticContact CZ3-CD2 3.72Å; W132-F581 HydrophobicContact CZ3-CD2 3.72Å; W132-F581 HydrophobicContact CZ3-CE1 4.36Å; W132-F581 AromaticContact CZ3-CE2 3.26Å; W132-F581 HydrophobicContact CZ3-CE2 3.26Å; W132-F581 HydrophobicContact CZ3-CG 4.44Å; W132-F581 AromaticContact CZ3-CZ 3.63Å; W132-F581 HydrophobicContact CZ3-CZ 3.63Å; W132-V584 HydrophobicContact CH2-CB 4.26Å; W132-V584 HydrophobicContact CH2-CG1 3.77Å; W132-V584 HydrophobicContact CZ2-CG1 3.93Å
133K88.5Confident87.5Confident56 Ų5651.3 Ų51.324%0.24326%0.261CS..Hα-helixtrans-61.5-29.2175.8-63.4-170.4173.2-174.70112.2S131 V135 A136 V584 S587 L590S131-K133 PolarHBondContact O-N 3.48Å; S131-K133 VanDerWaalsContact O-N 3.09Å; S131-K133 PolarHBondContact OG-N 2.93Å; K133-V135 VanDerWaalsContact C-N 3.33Å; K133-V135 PolarHBondContact O-N 3.25Å; K133-A136 WeakPolarHBondContact O-CB 3.35Å; K133-A136 PolarHBondContact O-N 3.39Å; K133-V584 WeakPolarHBondContact CE-O 3.5Å; K133-V584 PolarHBondContact NZ-O 3.17Å; K133-S587 PolarHBondContact NZ-O 3.34Å; K133-L590 PolarHBondContact NZ-O 2.82Å
134R85.6Confident87.7Confident158 Ų15852.4 Ų52.460%0.59627%0.266SS*.Hα-helixtrans-71-26.6177.3-69.2-172.8173.1-161.22.5113.2L130 S131 W132L130-R134 HydrophobicContact CD1-CB 3.87Å; L130-R134 HydrophobicContact CD1-CG 4.48Å; S131-R134 WeakPolarHBondContact O-CB 3.4Å; S131-R134 PolarHBondContact O-N 3.34Å; W132-R134 PolarHBondContact O-N 2.91Å
135V85.9Confident88Confident0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-91.6-6.6176.6-51.40000112.8L104 L123 L130 W132 K133 G137 C138 T227 V231L104-V135 HydrophobicContact CD1-CG1 3.98Å; L123-V135 HydrophobicContact CD1-CG2 4.07Å; L123-V135 HydrophobicContact CD2-CG1 3.97Å; L123-V135 HydrophobicContact CD2-CG2 3.86Å; L123-V135 HydrophobicContact CG-CG2 4.28Å; L130-V135 HydrophobicContact CD2-CG1 3.84Å; L130-V135 HydrophobicContact CG-CG1 4.36Å; W132-V135 WeakPolarHBondContact O-CG2 3.25Å; W132-V135 PolarHBondContact O-N 3.29Å; W132-V135 VanDerWaalsContact O-N 3.13Å; K133-V135 VanDerWaalsContact C-N 3.33Å; K133-V135 PolarHBondContact O-N 3.25Å; V135-G137 VanDerWaalsContact C-N 3.32Å; V135-G137 PolarHBondContact O-N 2.85Å; V135-C138 WeakPolarHBondContact O-CB 3.31Å; V135-C138 PolarHBondContact O-N 3.18Å; V135-C138 VanDerWaalsContact O-N 3.1Å; V135-T227 WeakPolarHBondContact O-CG2 3.49Å; V135-V231 HydrophobicContact CG2-CG2 3.95Å
136A86.5Confident88.5Confident4 Ų446.3 Ų46.33%0.03323%0.232CC..THydrogen-bonded Turntrans-62.9-37.2-173.400000113.1W132 K133 C138 F581 S585W132-A136 PolarHBondContact O-N 3.04Å; K133-A136 WeakPolarHBondContact O-CB 3.35Å; K133-A136 PolarHBondContact O-N 3.39Å; A136-C138 VanDerWaalsContact C-N 3.32Å; A136-F581 HydrophobicContact CB-CD1 4.34Å; A136-F581 HydrophobicContact CB-CE1 3.44Å; A136-F581 VanDerWaalsContact CB-CE1 3.44Å; A136-F581 HydrophobicContact CB-CZ 3.81Å; A136-S585 VanDerWaalsContact CB-CB 3.44Å
137G82.9Confident88.9Confident59 Ų5945.8 Ų45.861%0.60823%0.231SC*.THydrogen-bonded Turntrans-83-3.3177.400000114.7V135V135-G137 VanDerWaalsContact C-N 3.32Å; V135-G137 PolarHBondContact O-N 2.85Å
138C88.1Confident89.6Confident6 Ų638.9 Ų38.94%0.04120%0.201CC..  trans-69.5134.7-174.3-167.30000111.2L104 V135 A136 I140 T227L104-C138 HydrophobicContact CD2-CB 4.44Å; L104-C138 PolarHBondContact O-SG 3.41Å; L104-C138 VanDerWaalsContact O-SG 3.41Å; V135-C138 WeakPolarHBondContact O-CB 3.31Å; V135-C138 PolarHBondContact O-N 3.18Å; V135-C138 VanDerWaalsContact O-N 3.1Å; A136-C138 VanDerWaalsContact C-N 3.32Å; C138-I140 VanDerWaalsContact SG-CG1 3.52Å; C138-T227 HydrophobicContact CB-CG2 4.22Å; C138-T227 WeakPolarHBondContact O-CG2 3.47Å
139Q90.1Very high90.2Very high81 Ų8130 Ų3038%0.37916%0.16SC..  trans-121.398.4177.8-65.9-176.614.700109.7L223 R224Q139-L223 HydrophobicContact CB-CD2 4.33Å; Q139-R224 VanDerWaalsContact NE2-NH2 3.12Å
140I95.2Very high90.9Very high4 Ų426.9 Ų26.92%0.02114%0.143CC..  trans-110.3115.3179.3-54.8179.9000108.5L104 V110 C112 A115 F118 L119 C138 D142 L223L104-I140 HydrophobicContact CD2-CD1 4.42Å; V110-I140 HydrophobicContact CB-CG1 4.46Å; V110-I140 HydrophobicContact CG1-CG1 4.25Å; V110-I140 HydrophobicContact CG1-CG2 4.09Å; C112-I140 HydrophobicContact CB-CG2 3.46Å; C112-I140 VanDerWaalsContact CB-CG2 3.46Å; A115-I140 HydrophobicContact CB-CB 3.95Å; A115-I140 HydrophobicContact CB-CG2 3.6Å; F118-I140 HydrophobicContact CD1-CD1 3.6Å; F118-I140 HydrophobicContact CE1-CD1 3.51Å; L119-I140 HydrophobicContact CD1-CD1 4.39Å; L119-I140 HydrophobicContact CD2-CD1 3.68Å; L119-I140 HydrophobicContact CG-CD1 3.96Å; C138-I140 VanDerWaalsContact SG-CG1 3.52Å; I140-D142 PolarHBondContact O-N 3.16Å; I140-L223 WeakPolarHBondContact O-CD1 3.49Å
141Q96.1Very high91.2Very high21 Ų2128.2 Ų28.210%0.09815%0.15CC..BIsolated β-bridgetrans-68.8127.9-179.5-56.9-61.7-32.100110.6L109 V110 V111 C112 H202 Y218 L223L109-Q141 HydrophobicContact CD1-CB 4.29Å; L109-Q141 HydrophobicContact CD1-CG 3.43Å; L109-Q141 VanDerWaalsContact CD1-CG 3.43Å; V110-Q141 WeakPolarHBondContact O-CB 3.01Å; V110-Q141 PolarHBondContact O-N 2.91Å; V111-Q141 WeakPolarHBondContact CA-O 3.34Å; V111-Q141 HydrophobicContact CG2-CB 4.35Å; C112-Q141 PolarHBondContact N-O 2.96Å; Q141-H202 WeakPolarHBondContact CB-CE1 3.32Å; Q141-H202 VanDerWaalsContact CG-CE1 3.49Å; Q141-H202 WeakPolarHBondContact CG-CE1 3.32Å; Q141-Y218 VanDerWaalsContact OE1-CZ 3.26Å; Q141-Y218 PolarHBondContact OE1-OH 3.46Å; Q141-L223 VanDerWaalsContact NE2-CD2 3.27Å
142D96.1Very high91.3Very high4 Ų425.8 Ų25.82%0.02113%0.133CC..  trans-118.4106.1-176.7-165.2-25.6000111.2C112 K114 A115 I140 Q144 V145 S146 Y218 I226C112-D142 WeakPolarHBondContact O-CA 3.32Å; K114-D142 WeakPolarHBondContact CA-OD2 3.26Å; K114-D142 PolarHBondContact N-OD1 2.93Å; K114-D142 VanDerWaalsContact N-OD1 3.17Å; K114-D142 PolarHBondContact N-OD2 3.27Å; K114-D142 VanDerWaalsContact N-OD2 3.15Å; A115-D142 HydrophobicContact CB-CB 4.08Å; A115-D142 PolarHBondContact N-OD2 3.31Å; I140-D142 PolarHBondContact O-N 3.16Å; D142-Q144 PolarHBondContact O-N 2.87Å; D142-Q144 WeakPolarHBondContact OD1-CA 2.98Å; D142-Q144 WeakPolarHBondContact OD1-CB 3.45Å; D142-Q144 PolarHBondContact OD1-N 3.14Å; D142-V145 HydrophobicContact CB-CB 4.18Å; D142-V145 HydrophobicContact CB-CG2 3.94Å; D142-V145 PolarHBondContact O-N 2.9Å; D142-V145 VanDerWaalsContact O-N 3.15Å; D142-S146 PolarHBondContact O-N 3.32Å; D142-S146 PolarHBondContact O-OG 2.85Å; D142-S146 VanDerWaalsContact O-OG 3.08Å; D142-Y218 PolarHBondContact N-OH 3.44Å; D142-I226 HydrophobicContact CB-CD1 3.69Å
143P95.1Very high91.1Very high0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-58.3-26.4174.9-31.942000114.2V111 G147 L198 L201 H202 L205V111-P143 HydrophobicContact CG1-CG 4Å; P143-G147 PolarHBondContact O-N 2.82Å; P143-L198 HydrophobicContact CB-CD1 4.31Å; P143-L198 HydrophobicContact CG-CD1 3.75Å; P143-L201 HydrophobicContact CB-CD2 4.16Å; P143-L201 HydrophobicContact CB-CG 4.35Å; P143-H202 HydrophobicContact CG-CB 3.93Å; P143-L205 HydrophobicContact CB-CD1 3.8Å; P143-L205 WeakPolarHBondContact O-CD1 3.34Å
144Q94.7Very high90.7Very high31 Ų3127.2 Ų27.215%0.14515%0.15CC..Hα-helixtrans-65.3-46.7175.3-165.8-173.738.200111Y113 D142 G147 W148Y113-Q144 HydrophobicContact CD2-CB 3.99Å; Y113-Q144 HydrophobicContact CE2-CB 3.56Å; Y113-Q144 HydrophobicContact CE2-CG 3.98Å; D142-Q144 PolarHBondContact O-N 2.87Å; D142-Q144 WeakPolarHBondContact OD1-CA 2.98Å; D142-Q144 WeakPolarHBondContact OD1-CB 3.45Å; D142-Q144 PolarHBondContact OD1-N 3.14Å; Q144-G147 PolarHBondContact O-N 3.34Å; Q144-W148 WeakPolarHBondContact O-CB 3.5Å; Q144-W148 PolarHBondContact O-N 3.27Å
145V95.6Very high89.7Confident4 Ų421.9 Ų21.92%0.02414%0.135CC..Hα-helixtrans-66.7-41.5178.7177.20000110.3D142 W148 L149 Y218 E222 I226 T361D142-V145 HydrophobicContact CB-CB 4.18Å; D142-V145 HydrophobicContact CB-CG2 3.94Å; D142-V145 PolarHBondContact O-N 2.9Å; D142-V145 VanDerWaalsContact O-N 3.15Å; V145-W148 PolarHBondContact O-N 3.39Å; V145-L149 WeakPolarHBondContact O-CB 3.37Å; V145-L149 PolarHBondContact O-N 3.4Å; V145-Y218 HydrophobicContact CB-CE2 4.42Å; V145-Y218 HydrophobicContact CG1-CD2 4.28Å; V145-Y218 HydrophobicContact CG1-CE2 4.12Å; V145-E222 HydrophobicContact CG1-CB 3.65Å; V145-E222 HydrophobicContact CG1-CG 4.46Å; V145-I226 HydrophobicContact CG2-CD1 4.28Å; V145-T361 HydrophobicContact CG2-CG2 4.09Å
146S95Very high88.5Confident0 Ų026.6 Ų26.60%017%0.168CC..Hα-helixtrans-61.5-46.6176.7-57.80000112.2D142 L149 L150 Y218D142-S146 PolarHBondContact O-N 3.32Å; D142-S146 PolarHBondContact O-OG 2.85Å; D142-S146 VanDerWaalsContact O-OG 3.08Å; S146-L149 PolarHBondContact O-N 2.82Å; S146-L150 PolarHBondContact O-N 3.32Å; S146-Y218 VanDerWaalsContact OG-CE2 3.3Å; S146-Y218 WeakPolarHBondContact OG-CE2 3.49Å
147G94.2Very high87.6Confident3 Ų326.8 Ų26.83%0.03117%0.169CC..Hα-helixtrans-62.5-44.5177.100000112.5P143 Q144 L149 L150 D151P143-G147 PolarHBondContact O-N 2.82Å; Q144-G147 PolarHBondContact O-N 3.34Å; G147-L149 VanDerWaalsContact C-N 3.35Å; G147-L149 PolarHBondContact O-N 2.98Å; G147-L150 PolarHBondContact O-N 3.1Å; G147-D151 PolarHBondContact O-N 3.1Å; G147-D151 VanDerWaalsContact O-N 3.07Å
148W94.6Very high87.6Confident3 Ų324.6 Ų24.61%0.01115%0.145CC..Hα-helixtrans-62-39.2174.9165.279.9000112.6Q144 V145 L150 D151 P152 E222 T361 A363Q144-W148 WeakPolarHBondContact O-CB 3.5Å; Q144-W148 PolarHBondContact O-N 3.27Å; V145-W148 PolarHBondContact O-N 3.39Å; W148-L150 VanDerWaalsContact C-N 3.27Å; W148-L150 PolarHBondContact O-N 2.97Å; W148-D151 CarbonylContact O-C 3.59Å; W148-D151 PolarHBondContact O-N 2.81Å; W148-P152 WeakPolarHBondContact O-CA 3.48Å; W148-P152 WeakPolarHBondContact O-CB 3.22Å; W148-P152 WeakPolarHBondContact O-CD 3.36Å; W148-E222 WeakPolarHBondContact CH2-OE1 3.21Å; W148-E222 HydrophobicContact CZ3-CG 4.19Å; W148-E222 VanDerWaalsContact CZ3-OE1 3.28Å; W148-E222 WeakPolarHBondContact CZ3-OE1 3.43Å; W148-T361 HydrophobicContact CB-CG2 3.72Å; W148-T361 HydrophobicContact CD2-CG2 4.06Å; W148-T361 HydrophobicContact CE3-CG2 4.28Å; W148-T361 HydrophobicContact CG-CG2 3.82Å; W148-T361 PolarHBondContact NE1-O 2.76Å; W148-T361 VanDerWaalsContact NE1-O 3.16Å; W148-A363 VanDerWaalsContact CZ2-O 3.31Å; W148-A363 WeakPolarHBondContact CZ2-O 3.48Å; W148-A363 PolarHBondContact NE1-O 3.49Å
149L93.6Very high87.7Confident4 Ų424.7 Ų24.72%0.02115%0.145CC..Hα-helixtrans-66.7-32.1-179.2-169.361.6000112.2V145 S146 G147 L209 L214 L217 E222 R536V145-L149 WeakPolarHBondContact O-CB 3.37Å; V145-L149 PolarHBondContact O-N 3.4Å; S146-L149 PolarHBondContact O-N 2.82Å; G147-L149 VanDerWaalsContact C-N 3.35Å; G147-L149 PolarHBondContact O-N 2.98Å; L149-L209 HydrophobicContact CB-CD2 4.21Å; L149-L209 HydrophobicContact CD2-CD2 3.99Å; L149-L209 HydrophobicContact CG-CD2 4.28Å; L149-L214 HydrophobicContact CD2-CB 4.17Å; L149-L214 HydrophobicContact CG-CD1 4.39Å; L149-L214 HydrophobicContact CG-CD2 4.49Å; L149-L217 HydrophobicContact CD1-CD2 3.8Å; L149-L217 HydrophobicContact CD1-CG 4.45Å; L149-L217 HydrophobicContact CD2-CD2 4.26Å; L149-L217 HydrophobicContact CD2-CG 4.31Å; L149-E222 HydrophobicContact CD2-CG 4.49Å; L149-R536 HydrophobicContact CD1-CG 4.48Å
150L92.5Very high87.6Confident28 Ų2824.9 Ų24.915%0.14714%0.144CC..Hα-helixtrans-71.7-40.6173.4-70169.9000112.3S146 G147 W148 L205 K208 L209 L214S146-L150 PolarHBondContact O-N 3.32Å; G147-L150 PolarHBondContact O-N 3.1Å; W148-L150 VanDerWaalsContact C-N 3.27Å; W148-L150 PolarHBondContact O-N 2.97Å; L150-L205 HydrophobicContact CD1-CD2 3.6Å; L150-K208 HydrophobicContact CD1-CB 3.79Å; L150-K208 HydrophobicContact CD1-CD 4.28Å; L150-K208 HydrophobicContact CD2-CB 4.05Å; L150-L209 HydrophobicContact CD2-CD2 3.89Å; L150-L209 HydrophobicContact CD2-CG 4.44Å; L150-L209 HydrophobicContact CG-CD2 3.84Å; L150-L209 HydrophobicContact CG-CG 4.41Å; L150-L214 HydrophobicContact CD2-CD1 4.11Å
151D89.3Confident87.3Confident40 Ų4028.2 Ų28.221%0.21416%0.162CC..  trans-136.683.7178.7-171.21.7000112.1G147 W148 S153 D154 K165G147-D151 PolarHBondContact O-N 3.1Å; G147-D151 VanDerWaalsContact O-N 3.07Å; W148-D151 CarbonylContact O-C 3.59Å; W148-D151 PolarHBondContact O-N 2.81Å; D151-S153 PolarHBondContact O-N 3.05Å; D151-S153 VanDerWaalsContact O-N 3.1Å; D151-S153 PolarHBondContact OD1-N 3.37Å; D151-D154 PolarHBondContact O-N 3.09Å; D151-K165 IonicContact OD2-NZ 3.17Å; D151-K165 PolarHBondContact OD2-NZ 3.03Å
152P88Confident87Confident7 Ų727.3 Ų27.35%0.04516%0.158CC..THydrogen-bonded Turntrans-72.7-8-173.329.1-36.6000112.9W148 D154 V364W148-P152 WeakPolarHBondContact O-CA 3.48Å; W148-P152 WeakPolarHBondContact O-CB 3.22Å; W148-P152 WeakPolarHBondContact O-CD 3.36Å; P152-D154 VanDerWaalsContact C-N 3.31Å; P152-V364 WeakPolarHBondContact O-CG1 3.32Å
153S84.9Confident86.7Confident59 Ų5927.8 Ų27.841%0.41316%0.16SC..THydrogen-bonded Turntrans-80.6-12.8176.9-53.40000113.1D151 P155 R538D151-S153 PolarHBondContact O-N 3.05Å; D151-S153 VanDerWaalsContact O-N 3.1Å; D151-S153 PolarHBondContact OD1-N 3.37Å; S153-P155 WeakPolarHBondContact O-CD 3.25Å; S153-R538 PolarHBondContact OG-NH1 3.1Å
154D81.8Confident86.4Confident56 Ų5632.6 Ų32.630%0.29919%0.186SC..  trans-114.469.7177.4-173.313.4000110.8D151 P152 S156 K165D151-D154 PolarHBondContact O-N 3.09Å; P152-D154 VanDerWaalsContact C-N 3.31Å; D154-S156 PolarHBondContact O-N 2.85Å; D154-K165 IonicContact OD2-NZ 2.65Å
155P63.7Low86.1Confident45 Ų4535.5 Ų35.529%0.29220%0.198SC..THydrogen-bonded Turntrans-74.2-10.2-171.731.7-38.2000114S153 T361S153-P155 WeakPolarHBondContact O-CD 3.25Å; P155-T361 WeakPolarHBondContact CB-O 2.97Å
156S59.7Low85.8Confident99 Ų9936.6 Ų36.669%0.69220%0.203SC*.THydrogen-bonded Turntrans-118.424.2-167.350.60000113.6D154 C158D154-S156 PolarHBondContact O-N 2.85Å; S156-C158 PolarHBondContact O-N 3.42Å
157S67.9Low85.3Confident8 Ų837.8 Ų37.86%0.05621%0.211CC..  trans-68.2122.4174.560.50000110Y113 L162Y113-S157 PolarHBondContact OH-O 2.93Å; Y113-S157 VanDerWaalsContact OH-O 3.11Å; S157-L162 VanDerWaalsContact OG-CD2 3.27Å; S157-L162 WeakPolarHBondContact OG-CD2 3.3Å; S157-L162 WeakPolarHBondContact OG-CG 3.28Å
158C84.6Confident84.2Confident14 Ų1447.1 Ų47.110%0.09525%0.251CS..  trans-73.2170.9168.775.70000110.4H38 S156 K160 D161 L162H38-C158 PolarHBondContact CE1-SG 2.89Å; H38-C158 PolarHBondContact ND1-SG 2.86Å; S156-C158 PolarHBondContact O-N 3.42Å; C158-K160 VanDerWaalsContact C-N 3.26Å; C158-K160 PolarHBondContact O-N 2.79Å; C158-D161 PolarHBondContact N-OD2 3.46Å; C158-D161 VanDerWaalsContact N-OD2 3.09Å; C158-D161 PolarHBondContact O-N 2.85Å; C158-D161 PolarHBondContact SG-OD2 3.41Å; C158-L162 PolarHBondContact O-N 3.01Å; C158-L162 VanDerWaalsContact O-N 3.09Å
159F89.5Confident82.4Confident7 Ų756.2 Ų56.23%0.03129%0.291CS..Hα-helixtrans-52.7-43.7179.3168.2-109.3000112.6L36 Y113 D161 L162 L163 W197 L198 L201L36-F159 HydrophobicContact CB-CB 4.44Å; L36-F159 HydrophobicContact CB-CD1 3.68Å; L36-F159 HydrophobicContact CB-CE1 4.13Å; L36-F159 HydrophobicContact CB-CG 4.09Å; L36-F159 HydrophobicContact CD1-CE1 4.48Å; L36-F159 HydrophobicContact CD2-CB 4.34Å; L36-F159 HydrophobicContact CD2-CD1 4.21Å; L36-F159 HydrophobicContact CD2-CD2 3.96Å; L36-F159 HydrophobicContact CD2-CE2 4.32Å; L36-F159 HydrophobicContact CD2-CG 3.89Å; L36-F159 HydrophobicContact CG-CD1 4.41Å; L36-F159 WeakPolarHBondContact O-CD1 3.48Å; Y113-F159 HydrophobicContact CD1-CB 4.47Å; Y113-F159 HydrophobicContact CE1-CB 4.24Å; Y113-F159 HydrophobicContact CE2-CB 4.29Å; Y113-F159 PolarHBondContact OH-N 3.32Å; F159-D161 VanDerWaalsContact C-N 3.34Å; F159-D161 PolarHBondContact O-N 3.02Å; F159-L162 PolarHBondContact O-N 2.84Å; F159-L163 HydrophobicContact CZ-CD2 4.49Å; F159-L163 WeakPolarHBondContact O-CB 3.35Å; F159-L163 PolarHBondContact O-N 2.78Å; F159-W197 HydrophobicContact CZ-CB 4.07Å; F159-L198 HydrophobicContact CD2-CD1 4.08Å; F159-L198 HydrophobicContact CE2-CB 4.03Å; F159-L198 HydrophobicContact CE2-CD1 3.83Å; F159-L198 HydrophobicContact CZ-CB 4.31Å; F159-L201 HydrophobicContact CD2-CD2 3.85Å; F159-L201 HydrophobicContact CE2-CD2 3.72Å
160K88Confident80.4Confident86 Ų8658.7 Ų58.737%0.37431%0.307SS..Hα-helixtrans-64.3-36.7179.3-65.2-179.2-175.61750112.6C158 L163 N164C158-K160 VanDerWaalsContact C-N 3.26Å; C158-K160 PolarHBondContact O-N 2.79Å; K160-L163 PolarHBondContact O-N 2.86Å; K160-N164 WeakPolarHBondContact O-CB 3.47Å; K160-N164 PolarHBondContact O-N 2.88Å; K160-N164 PolarHBondContact O-ND2 2.88Å; K160-N164 VanDerWaalsContact O-ND2 3.16Å
161D88.8Confident78.2Confident73 Ų7368 Ų6839%0.3934%0.34SS..Hα-helixtrans-67.7-43.7178-58-32.6000110.7C158 F159 L163 N164 K165C158-D161 PolarHBondContact N-OD2 3.46Å; C158-D161 VanDerWaalsContact N-OD2 3.09Å; C158-D161 PolarHBondContact O-N 2.85Å; C158-D161 PolarHBondContact SG-OD2 3.41Å; F159-D161 VanDerWaalsContact C-N 3.34Å; F159-D161 PolarHBondContact O-N 3.02Å; D161-L163 VanDerWaalsContact C-N 3.35Å; D161-L163 PolarHBondContact O-N 2.92Å; D161-N164 PolarHBondContact O-N 3.3Å; D161-K165 VanDerWaalsContact O-CB 3.26Å; D161-K165 WeakPolarHBondContact O-CB 3.36Å; D161-K165 PolarHBondContact O-N 3.39Å
162L89.9Confident76.1Confident2 Ų270.4 Ų70.41%0.0137%0.365CS..Hα-helixtrans-61.7-43.7174.5-71.3174.4000111.6Y113 S157 C158 F159 N164 K165 H166 L201Y113-L162 HydrophobicContact CE2-CD1 3.92Å; S157-L162 VanDerWaalsContact OG-CD2 3.27Å; S157-L162 WeakPolarHBondContact OG-CD2 3.3Å; S157-L162 WeakPolarHBondContact OG-CG 3.28Å; C158-L162 PolarHBondContact O-N 3.01Å; C158-L162 VanDerWaalsContact O-N 3.09Å; F159-L162 PolarHBondContact O-N 2.84Å; L162-N164 PolarHBondContact O-N 3.33Å; L162-K165 PolarHBondContact O-N 2.9Å; L162-H166 WeakPolarHBondContact O-CB 3.31Å; L162-H166 PolarHBondContact O-CD2 3.21Å; L162-H166 VanDerWaalsContact O-CD2 3.31Å; L162-H166 PolarHBondContact O-N 2.82Å; L162-L201 HydrophobicContact CB-CD1 4.36Å; L162-L201 HydrophobicContact CB-CD2 3.89Å
163L89.3Confident73.9Confident15 Ų1575.1 Ų75.18%0.07939%0.394CS..Hα-helixtrans-59.2-49.2177-171.469.5000111.1F159 K160 D161 K165 H166 C167 W197 L201F159-L163 HydrophobicContact CZ-CD2 4.49Å; F159-L163 WeakPolarHBondContact O-CB 3.35Å; F159-L163 PolarHBondContact O-N 2.78Å; K160-L163 PolarHBondContact O-N 2.86Å; D161-L163 VanDerWaalsContact C-N 3.35Å; D161-L163 PolarHBondContact O-N 2.92Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 2.98Å; L163-H166 PolarHBondContact O-N 2.88Å; L163-C167 HydrophobicContact CD1-CB 3.88Å; L163-C167 HydrophobicContact CG-CB 4.45Å; L163-C167 WeakPolarHBondContact O-CA 3.17Å; L163-C167 VanDerWaalsContact O-CB 3.31Å; L163-C167 WeakPolarHBondContact O-CB 3.47Å; L163-C167 PolarHBondContact O-N 2.9Å; L163-W197 HydrophobicContact CD1-CB 4.03Å; L163-W197 HydrophobicContact CD1-CD2 4.19Å; L163-W197 HydrophobicContact CD1-CE3 3.77Å; L163-W197 HydrophobicContact CD1-CG 4.34Å; L163-W197 HydrophobicContact CD2-CB 4.24Å; L163-W197 HydrophobicContact CD2-CD2 4.39Å; L163-W197 HydrophobicContact CD2-CG 4.21Å; L163-L201 HydrophobicContact CD1-CB 4.27Å
164N88.4Confident71.6Confident101 Ų10176.7 Ų76.754%0.5440%0.403SS..Hα-helixtrans-64.4-34.1179.4-71.7-28.3000113.1K160 D161 L162K160-N164 WeakPolarHBondContact O-CB 3.47Å; K160-N164 PolarHBondContact O-N 2.88Å; K160-N164 PolarHBondContact O-ND2 2.88Å; K160-N164 VanDerWaalsContact O-ND2 3.16Å; D161-N164 PolarHBondContact O-N 3.3Å; L162-N164 PolarHBondContact O-N 3.33Å
165K89.1Confident69.4Low92 Ų9279.8 Ų79.840%0.443%0.429SS..Hα-helixtrans-77.3-35.1-179.5-175.4177-175.7175.90112.4D151 D154 D161 L162 L163D151-K165 IonicContact OD2-NZ 3.17Å; D151-K165 PolarHBondContact OD2-NZ 3.03Å; D154-K165 IonicContact OD2-NZ 2.65Å; D161-K165 VanDerWaalsContact O-CB 3.26Å; D161-K165 WeakPolarHBondContact O-CB 3.36Å; D161-K165 PolarHBondContact O-N 3.39Å; L162-K165 PolarHBondContact O-N 2.9Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 2.98Å
166H89Confident68.4Low27 Ų2783.8 Ų83.813%0.12545%0.447CS..Hα-helixtrans-111.3-20.1-169.4-64.9-93000115.3L162 L163 L201 L205 K208L162-H166 WeakPolarHBondContact O-CB 3.31Å; L162-H166 PolarHBondContact O-CD2 3.21Å; L162-H166 VanDerWaalsContact O-CD2 3.31Å; L162-H166 PolarHBondContact O-N 2.82Å; L163-H166 PolarHBondContact O-N 2.88Å; H166-L201 HydrophobicContact CB-CD1 3.85Å; H166-L205 HydrophobicContact CB-CD2 4.17Å; H166-L205 WeakPolarHBondContact ND1-CD2 3.36Å; H166-K208 PolarHBondContact ND1-NZ 2.81Å; H166-K208 VanDerWaalsContact ND1-NZ 3.13Å; H166-K208 PolarHBondContact O-NZ 2.72Å
167C84.2Confident67.6Low25 Ų2582 Ų8217%0.16943%0.434CS..SBendtrans-114153.6179.2-60.80000111.4L163 W197L163-C167 HydrophobicContact CD1-CB 3.88Å; L163-C167 HydrophobicContact CG-CB 4.45Å; L163-C167 WeakPolarHBondContact O-CA 3.17Å; L163-C167 VanDerWaalsContact O-CB 3.31Å; L163-C167 WeakPolarHBondContact O-CB 3.47Å; L163-C167 PolarHBondContact O-N 2.9Å; C167-W197 HydrophobicContact CB-CZ3 4.48Å
168K72.2Confident66.5Low199 Ų19987.5 Ų87.587%0.86547%0.47SS*.  trans-71.6142.5175.8-66.5-179.2-178.5176.70109.6
169K55.2Low65.1Low194 Ų19492.2 Ų92.284%0.84349%0.494SS*.  trans-39.5133.5-167-83.5-174.6177.3-179.90114.5
170P52.2Low63.5Low55 Ų55100.3 Ų100.336%0.35753%0.529SS..PPolyproline II helixtrans-65.3140.1167.524.9-29.2000110.5W197P170-W197 HydrophobicContact CB-CZ2 4.39Å
171R46.3Very low62.1Low224 Ų224101.9 Ų101.985%0.84555%0.546SS*.PPolyproline II helixtrans-66.1139.8165.9-84178.7172.5169.6-2.6108.6
172A44.9Very low60.8Low90 Ų90100.1 Ų100.174%0.74454%0.542SS*.PPolyproline II helixtrans-53142.5-171.200000113.7
173T41.8Very low59.5Low106 Ų106103.2 Ų103.265%0.6556%0.558SS**PPolyproline II helixtrans-62.6130.5165.537.30000110.3W64W64-T173 HydrophobicContact CH2-CG2 4.39Å
174P37.6Very low58.4Low93 Ų93108 Ų10860%0.60458%0.583SS**PPolyproline II helixtrans-67.7149.3172.826.5-30.8000111.4L176P174-L176 PolarHBondContact O-N 3.42Å
175S35.2Very low57.6Low121 Ų121107.2 Ų107.285%0.84659%0.585SS**PPolyproline II helixtrans-60128.8175.451.70000111.4
176L42Very low56.8Low128 Ų128104.4 Ų104.467%0.6758%0.579SS**PPolyproline II helixtrans-66.2128.7179.2-73140.6000111.3P174 L183 A186P174-L176 PolarHBondContact O-N 3.42Å; L176-L183 HydrophobicContact CB-CD2 4.3Å; L176-L183 HydrophobicContact CD2-CD2 3.45Å; L176-L183 VanDerWaalsContact CD2-CD2 3.45Å; L176-L183 HydrophobicContact CG-CD2 4.44Å; L176-A186 HydrophobicContact CD2-CB 4.43Å
177S42.9Very low56.3Low61 Ų61106.8 Ų106.843%0.42759%0.589SS.*PPolyproline II helixtrans-82.3152.9165.758.90000110.7D179S177-D179 VanDerWaalsContact C-N 3.27Å; S177-D179 PolarHBondContact O-N 3.32Å
178P45.8Very low56Low124 Ų124109 Ų10981%0.80560%0.602SS**SBendtrans-76.44.6-171.526.8-32.5000116.4
179D55.8Low56.5Low113 Ų113100.4 Ų100.460%0.60457%0.567SS**  trans-84.1127.5-177.1-81.7-28.6000113.4S177 V181 A182 L183S177-D179 VanDerWaalsContact C-N 3.27Å; S177-D179 PolarHBondContact O-N 3.32Å; D179-V181 VanDerWaalsContact C-N 3.3Å; D179-V181 PolarHBondContact O-N 3.22Å; D179-A182 HydrophobicContact CB-CB 3.92Å; D179-A182 WeakPolarHBondContact O-CA 3.4Å; D179-A182 WeakPolarHBondContact O-CB 3.35Å; D179-A182 PolarHBondContact O-N 3.5Å; D179-L183 VanDerWaalsContact O-CG 3.3Å; D179-L183 WeakPolarHBondContact O-CG 3.38Å; D179-L183 PolarHBondContact O-N 3.31Å
180K53.9Low57.8Low177 Ų17794 Ų9477%0.7754%0.542SS*.Hα-helixtrans-56.5-35-178.2-73.3-176.2178.3178.90114.9L184K180-L184 PolarHBondContact O-N 3.01Å
181V60.1Low59.4Low119 Ų11992.1 Ų92.172%0.72153%0.529SS*.Hα-helixtrans-74.6-38.6177.3178.60000110.9D179 L183 L184 S185D179-V181 VanDerWaalsContact C-N 3.3Å; D179-V181 PolarHBondContact O-N 3.22Å; V181-L183 VanDerWaalsContact C-N 3.31Å; V181-L184 PolarHBondContact O-N 2.98Å; V181-S185 WeakPolarHBondContact O-CB 3.25Å; V181-S185 PolarHBondContact O-N 3.47Å
182A61.8Low61.3Low37 Ų3782.4 Ų82.431%0.30649%0.493SS..Hα-helixtrans-65.1-37.1173.500000111.3D179 S185 A186D179-A182 HydrophobicContact CB-CB 3.92Å; D179-A182 WeakPolarHBondContact O-CA 3.4Å; D179-A182 WeakPolarHBondContact O-CB 3.35Å; D179-A182 PolarHBondContact O-N 3.5Å; A182-S185 PolarHBondContact O-N 3.19Å; A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.04Å
183L61.7Low63.3Low67 Ų6778.4 Ų78.435%0.35146%0.46SS..Hα-helixtrans-63.4-44.6175.5-69.7172.5000112.6L176 D179 V181 F187L176-L183 HydrophobicContact CB-CD2 4.3Å; L176-L183 HydrophobicContact CD2-CD2 3.45Å; L176-L183 VanDerWaalsContact CD2-CD2 3.45Å; L176-L183 HydrophobicContact CG-CD2 4.44Å; D179-L183 VanDerWaalsContact O-CG 3.3Å; D179-L183 WeakPolarHBondContact O-CG 3.38Å; D179-L183 PolarHBondContact O-N 3.31Å; V181-L183 VanDerWaalsContact C-N 3.31Å; L183-F187 WeakPolarHBondContact O-CB 3.45Å; L183-F187 PolarHBondContact O-N 3.36Å
184L66Low65.6Low116 Ų11675.1 Ų75.161%0.60744%0.441SS*.Hα-helixtrans-66.3-42.8176.3-81.8163.4000112.3K180 V181 F187 V188K180-L184 PolarHBondContact O-N 3.01Å; V181-L184 PolarHBondContact O-N 2.98Å; L184-F187 PolarHBondContact O-N 3.38Å; L184-V188 WeakPolarHBondContact O-CG2 3.25Å; L184-V188 PolarHBondContact O-N 2.8Å
185S71Confident68.1Low83 Ų8370.7 Ų70.758%0.5841%0.413SS*.Hα-helixtrans-63.1-46.1176.3-175.90000111.6V181 A182 F187 V188 S189V181-S185 WeakPolarHBondContact O-CB 3.25Å; V181-S185 PolarHBondContact O-N 3.47Å; A182-S185 PolarHBondContact O-N 3.19Å; S185-F187 VanDerWaalsContact C-N 3.32Å; S185-F187 PolarHBondContact O-N 3.39Å; S185-V188 PolarHBondContact O-N 2.92Å; S185-S189 VanDerWaalsContact O-CB 3.31Å; S185-S189 WeakPolarHBondContact O-CB 3.29Å; S185-S189 PolarHBondContact O-N 3.32Å
186A74Confident70.8Confident33 Ų3365 Ų6527%0.27337%0.373SS..Hα-helixtrans-62.4-39175.300000112L176 A182 S189 N190L176-A186 HydrophobicContact CD2-CB 4.43Å; A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.04Å; A186-S189 PolarHBondContact O-N 2.65Å; A186-N190 WeakPolarHBondContact O-CB 3.31Å; A186-N190 PolarHBondContact O-N 3.35Å; A186-N190 PolarHBondContact O-ND2 2.97Å
187F77Confident73.1Confident77 Ų7762 Ų6234%0.33835%0.353SS..Hα-helixtrans-63.7-48.5176.7174.6-100.5000112.4M28 G32 L183 L184 S185 S189 N190 I191M28-F187 HydrophobicContact CE-CE1 3.55Å; M28-F187 HydrophobicContact CE-CZ 3.56Å; G32-F187 WeakPolarHBondContact O-CZ 3.27Å; L183-F187 WeakPolarHBondContact O-CB 3.45Å; L183-F187 PolarHBondContact O-N 3.36Å; L184-F187 PolarHBondContact O-N 3.38Å; S185-F187 VanDerWaalsContact C-N 3.32Å; S185-F187 PolarHBondContact O-N 3.39Å; F187-S189 VanDerWaalsContact C-N 3.33Å; F187-S189 PolarHBondContact O-N 3.19Å; F187-N190 WeakPolarHBondContact O-CB 3.48Å; F187-N190 PolarHBondContact O-N 3.18Å; F187-I191 HydrophobicContact CD1-CD1 3.92Å; F187-I191 HydrophobicContact CE1-CD1 3.36Å; F187-I191 HydrophobicContact CE2-CD1 4.08Å; F187-I191 HydrophobicContact CG-CD1 4.5Å; F187-I191 HydrophobicContact CZ-CD1 3.45Å; F187-I191 VanDerWaalsContact CZ-CD1 3.45Å; F187-I191 HydrophobicContact CZ-CG1 4.39Å; F187-I191 WeakPolarHBondContact O-CG1 3.44Å; F187-I191 PolarHBondContact O-N 2.76Å; F187-I191 VanDerWaalsContact O-N 3.09Å
188V79Confident75.5Confident72 Ų7259.1 Ų59.144%0.43633%0.332SS..Hα-helixtrans-62.5-42.5176.2172.80000110.9L184 S185 N190 I191 I192L184-V188 WeakPolarHBondContact O-CG2 3.25Å; L184-V188 PolarHBondContact O-N 2.8Å; S185-V188 PolarHBondContact O-N 2.92Å; V188-N190 PolarHBondContact O-N 3.45Å; V188-I191 PolarHBondContact O-N 2.93Å; V188-I192 HydrophobicContact CG1-CD1 3.87Å; V188-I192 HydrophobicContact CG1-CG1 4.44Å; V188-I192 WeakPolarHBondContact O-CG1 3.32Å; V188-I192 PolarHBondContact O-N 3.35Å
189S81.8Confident77.8Confident19 Ų1953.4 Ų53.413%0.13330%0.295CS..Hα-helixtrans-58.9-45.4175.7-173.50000111.7W64 S185 A186 F187 I191 I192 S193W64-S189 WeakPolarHBondContact CA-OG 3.35Å; W64-S189 WeakPolarHBondContact CB-OG 3.43Å; W64-S189 PolarHBondContact O-OG 3.05Å; S185-S189 VanDerWaalsContact O-CB 3.31Å; S185-S189 WeakPolarHBondContact O-CB 3.29Å; S185-S189 PolarHBondContact O-N 3.32Å; A186-S189 PolarHBondContact O-N 2.65Å; F187-S189 VanDerWaalsContact C-N 3.33Å; F187-S189 PolarHBondContact O-N 3.19Å; S189-I191 VanDerWaalsContact C-N 3.33Å; S189-I191 PolarHBondContact O-N 3.4Å; S189-I192 PolarHBondContact O-N 2.9Å; S189-S193 PolarHBondContact O-N 3.01Å; S189-S193 PolarHBondContact O-OG 3.33Å; S189-S193 VanDerWaalsContact O-OG 3.07Å
190N83.3Confident79.4Confident60 Ų6049.9 Ų49.932%0.32128%0.276SS..Hα-helixtrans-60-40.3176.1-74.1-26.2000112.8W64 A186 F187 V188 S194W64-N190 WeakPolarHBondContact CZ3-OD1 3.45Å; A186-N190 WeakPolarHBondContact O-CB 3.31Å; A186-N190 PolarHBondContact O-N 3.35Å; A186-N190 PolarHBondContact O-ND2 2.97Å; F187-N190 WeakPolarHBondContact O-CB 3.48Å; F187-N190 PolarHBondContact O-N 3.18Å; V188-N190 PolarHBondContact O-N 3.45Å; N190-S194 WeakPolarHBondContact O-CB 3.28Å; N190-S194 PolarHBondContact O-N 3.07Å; N190-S194 PolarHBondContact O-OG 3.31Å
191I85.1Confident81.3Confident15 Ų1541.4 Ų41.48%0.07724%0.239CC..Hα-helixtrans-68.3-44.4177.9-64.5165.5000110.9M28 T34 L50 F187 V188 S189 S193 S194 L195M28-I191 HydrophobicContact CE-CD1 3.6Å; T34-I191 HydrophobicContact CG2-CD1 4.4Å; T34-I191 HydrophobicContact CG2-CG1 4.33Å; L50-I191 HydrophobicContact CD1-CD1 4.03Å; L50-I191 HydrophobicContact CD1-CG2 3.56Å; F187-I191 HydrophobicContact CD1-CD1 3.92Å; F187-I191 HydrophobicContact CE1-CD1 3.36Å; F187-I191 HydrophobicContact CE2-CD1 4.08Å; F187-I191 HydrophobicContact CG-CD1 4.5Å; F187-I191 HydrophobicContact CZ-CD1 3.45Å; F187-I191 VanDerWaalsContact CZ-CD1 3.45Å; F187-I191 HydrophobicContact CZ-CG1 4.39Å; F187-I191 WeakPolarHBondContact O-CG1 3.44Å; F187-I191 PolarHBondContact O-N 2.76Å; F187-I191 VanDerWaalsContact O-N 3.09Å; V188-I191 PolarHBondContact O-N 2.93Å; S189-I191 VanDerWaalsContact C-N 3.33Å; S189-I191 PolarHBondContact O-N 3.4Å; I191-S193 VanDerWaalsContact C-N 3.32Å; I191-S193 PolarHBondContact O-N 3.24Å; I191-S194 WeakPolarHBondContact O-CB 3.37Å; I191-S194 PolarHBondContact O-N 2.96Å; I191-S194 VanDerWaalsContact O-N 3.13Å; I191-L195 HydrophobicContact CG2-CD1 4.13Å; I191-L195 HydrophobicContact CG2-CG 4.43Å; I191-L195 PolarHBondContact O-N 3.46Å
192I87.2Confident82.9Confident19 Ų1936.1 Ų36.110%0.09721%0.206CC..Hα-helixtrans-54.4-52.5175.2-70.9166.9000109.6L66 L72 V188 S189 S194 L195 Y196L66-I192 HydrophobicContact CD1-CD1 4.4Å; L66-I192 HydrophobicContact CD1-CG1 4.43Å; L66-I192 HydrophobicContact CD1-CG2 4.22Å; L72-I192 HydrophobicContact CD2-CD1 4.19Å; L72-I192 HydrophobicContact CD2-CG1 3.59Å; V188-I192 HydrophobicContact CG1-CD1 3.87Å; V188-I192 HydrophobicContact CG1-CG1 4.44Å; V188-I192 WeakPolarHBondContact O-CG1 3.32Å; V188-I192 PolarHBondContact O-N 3.35Å; S189-I192 PolarHBondContact O-N 2.9Å; I192-S194 VanDerWaalsContact C-N 3.29Å; I192-S194 PolarHBondContact O-N 3.43Å; I192-L195 PolarHBondContact O-N 3.23Å; I192-L195 VanDerWaalsContact O-N 3.16Å; I192-Y196 HydrophobicContact CG2-CD2 3.82Å; I192-Y196 HydrophobicContact CG2-CE2 3.48Å; I192-Y196 VanDerWaalsContact CG2-CE2 3.48Å; I192-Y196 WeakPolarHBondContact O-CD2 3.47Å; I192-Y196 PolarHBondContact O-N 3.33Å; I192-Y196 VanDerWaalsContact O-N 3.1Å
193S86.4Confident84.4Confident7 Ų737.9 Ų37.95%0.04921%0.21CC..Hα-helixtrans-59.5-40.2178.2-55.30000111.7C63 S189 I191 L195 Y196 W197C63-S193 PolarHBondContact O-OG 3.03Å; S189-S193 PolarHBondContact O-N 3.01Å; S189-S193 PolarHBondContact O-OG 3.33Å; S189-S193 VanDerWaalsContact O-OG 3.07Å; I191-S193 VanDerWaalsContact C-N 3.32Å; I191-S193 PolarHBondContact O-N 3.24Å; S193-L195 PolarHBondContact O-N 2.96Å; S193-Y196 PolarHBondContact O-N 3.47Å; S193-W197 WeakPolarHBondContact O-CB 3.38Å; S193-W197 PolarHBondContact O-N 3.25Å
194S89.4Confident85.9Confident36 Ų3636 Ų3625%0.25221%0.205SC..Hα-helixtrans-64.8-35.9178-59.50000113N190 I191 I192 W197 L198N190-S194 WeakPolarHBondContact O-CB 3.28Å; N190-S194 PolarHBondContact O-N 3.07Å; N190-S194 PolarHBondContact O-OG 3.31Å; I191-S194 WeakPolarHBondContact O-CB 3.37Å; I191-S194 PolarHBondContact O-N 2.96Å; I191-S194 VanDerWaalsContact O-N 3.13Å; I192-S194 VanDerWaalsContact C-N 3.29Å; I192-S194 PolarHBondContact O-N 3.43Å; S194-W197 PolarHBondContact O-N 2.95Å; S194-L198 WeakPolarHBondContact O-CB 3.43Å; S194-L198 PolarHBondContact O-N 3.33Å
195L91.6Very high87.3Confident0 Ų030.5 Ų30.50%018%0.176CC..Hα-helixtrans-68.4-40.9174.6-73.3169000111.8V24 T26 L50 L52 L72 I191 I192 S193 L198 F199V24-L195 HydrophobicContact CG1-CB 4.44Å; V24-L195 HydrophobicContact CG1-CD2 4.03Å; V24-L195 WeakPolarHBondContact CG1-O 3.37Å; T26-L195 HydrophobicContact CG2-CD2 3.81Å; T26-L195 HydrophobicContact CG2-CG 4.44Å; L50-L195 HydrophobicContact CB-CD1 4.38Å; L52-L195 HydrophobicContact CB-CB 4.39Å; L52-L195 HydrophobicContact CB-CD1 4.08Å; L52-L195 HydrophobicContact CD2-CB 3.89Å; L72-L195 HydrophobicContact CD1-CD1 3.9Å; I191-L195 HydrophobicContact CG2-CD1 4.13Å; I191-L195 HydrophobicContact CG2-CG 4.43Å; I191-L195 PolarHBondContact O-N 3.46Å; I192-L195 PolarHBondContact O-N 3.23Å; I192-L195 VanDerWaalsContact O-N 3.16Å; S193-L195 PolarHBondContact O-N 2.96Å; L195-L198 WeakPolarHBondContact O-CB 3.4Å; L195-L198 PolarHBondContact O-N 3.5Å; L195-F199 PolarHBondContact O-N 2.95Å; L195-F199 VanDerWaalsContact O-N 3.16Å
196Y90.8Very high88.4Confident3 Ų327.1 Ų27.11%0.01215%0.152CC..Hα-helixtrans-63.7-43.5172-74.2-74.9000111.8L52 K54 T61 P62 G67 D70 I192 S193 L198 F199 D200L52-Y196 HydrophobicContact CD2-CD1 4.15Å; L52-Y196 HydrophobicContact CD2-CD2 4.37Å; L52-Y196 HydrophobicContact CD2-CE1 4.03Å; L52-Y196 HydrophobicContact CD2-CE2 4.24Å; L52-Y196 HydrophobicContact CD2-CG 4.3Å; K54-Y196 HydrophobicContact CD-CD1 4.37Å; K54-Y196 HydrophobicContact CD-CE1 4.28Å; T61-Y196 VanDerWaalsContact CG2-CB 3.49Å; T61-Y196 HydrophobicContact CG2-CG 4.4Å; P62-Y196 HydrophobicContact CG-CD1 4.45Å; P62-Y196 HydrophobicContact CG-CD2 4.18Å; P62-Y196 HydrophobicContact CG-CE1 4.01Å; P62-Y196 HydrophobicContact CG-CE2 3.73Å; G67-Y196 PolarHBondContact N-OH 2.93Å; D70-Y196 WeakPolarHBondContact CB-OH 3.35Å; D70-Y196 VanDerWaalsContact OD2-CE1 3.31Å; D70-Y196 WeakPolarHBondContact OD2-CE1 3.47Å; D70-Y196 PolarHBondContact OD2-OH 2.94Å; D70-Y196 VanDerWaalsContact OD2-OH 3.1Å; I192-Y196 HydrophobicContact CG2-CD2 3.82Å; I192-Y196 HydrophobicContact CG2-CE2 3.48Å; I192-Y196 VanDerWaalsContact CG2-CE2 3.48Å; I192-Y196 WeakPolarHBondContact O-CD2 3.47Å; I192-Y196 PolarHBondContact O-N 3.33Å; I192-Y196 VanDerWaalsContact O-N 3.1Å; S193-Y196 PolarHBondContact O-N 3.47Å; Y196-L198 VanDerWaalsContact C-N 3.26Å; Y196-L198 PolarHBondContact O-N 3.19Å; Y196-F199 WeakPolarHBondContact O-CB 3.27Å; Y196-F199 PolarHBondContact O-N 3.46Å; Y196-F199 VanDerWaalsContact O-N 3.09Å; Y196-D200 PolarHBondContact O-N 3.32Å
197W90.4Very high89.4Confident65 Ų6529 Ų2925%0.24616%0.163CC..Hα-helixtrans-62.5-32.9175.3-79.4119.7000112.9T61 F159 L163 C167 P170 S193 S194 F199 D200 L201T61-W197 HydrophobicContact CG2-CD2 4.35Å; F159-W197 HydrophobicContact CZ-CB 4.07Å; L163-W197 HydrophobicContact CD1-CB 4.03Å; L163-W197 HydrophobicContact CD1-CD2 4.19Å; L163-W197 HydrophobicContact CD1-CE3 3.77Å; L163-W197 HydrophobicContact CD1-CG 4.34Å; L163-W197 HydrophobicContact CD2-CB 4.24Å; L163-W197 HydrophobicContact CD2-CD2 4.39Å; L163-W197 HydrophobicContact CD2-CG 4.21Å; C167-W197 HydrophobicContact CB-CZ3 4.48Å; P170-W197 HydrophobicContact CB-CZ2 4.39Å; S193-W197 WeakPolarHBondContact O-CB 3.38Å; S193-W197 PolarHBondContact O-N 3.25Å; S194-W197 PolarHBondContact O-N 2.95Å; W197-F199 VanDerWaalsContact C-N 3.33Å; W197-D200 HydrophobicContact CE3-CB 4.3Å; W197-D200 PolarHBondContact O-N 2.9Å; W197-L201 WeakPolarHBondContact O-CB 3.23Å; W197-L201 PolarHBondContact O-N 2.9Å
198L93.3Very high90.3Very high0 Ų028.5 Ų28.50%016%0.161CC..Hα-helixtrans-62.9-41.5173.2179.364.5000111.7V24 L36 V111 P143 F159 S194 L195 Y196 H202V24-L198 HydrophobicContact CG1-CB 4.22Å; V24-L198 HydrophobicContact CG1-CD2 3.75Å; V24-L198 HydrophobicContact CG1-CG 4.13Å; L36-L198 HydrophobicContact CD2-CD1 4.16Å; L36-L198 HydrophobicContact CD2-CD2 4.08Å; V111-L198 HydrophobicContact CG1-CD2 4.36Å; V111-L198 HydrophobicContact CG1-CG 4Å; P143-L198 HydrophobicContact CB-CD1 4.31Å; P143-L198 HydrophobicContact CG-CD1 3.75Å; F159-L198 HydrophobicContact CD2-CD1 4.08Å; F159-L198 HydrophobicContact CE2-CB 4.03Å; F159-L198 HydrophobicContact CE2-CD1 3.83Å; F159-L198 HydrophobicContact CZ-CB 4.31Å; S194-L198 WeakPolarHBondContact O-CB 3.43Å; S194-L198 PolarHBondContact O-N 3.33Å; L195-L198 WeakPolarHBondContact O-CB 3.4Å; L195-L198 PolarHBondContact O-N 3.5Å; Y196-L198 VanDerWaalsContact C-N 3.26Å; Y196-L198 PolarHBondContact O-N 3.19Å; L198-H202 WeakPolarHBondContact O-CB 3.39Å; L198-H202 PolarHBondContact O-N 2.89Å
199F93.4Very high91.2Very high3 Ų325 Ų251%0.01314%0.14CC..Hα-helixtrans-64.9-48.2174.7178.7-101000112.1A22 V24 K54 L57 L109 L195 Y196 W197 L201 H202 L203A22-F199 HydrophobicContact CB-CD2 4.42Å; A22-F199 HydrophobicContact CB-CE2 3.85Å; V24-F199 HydrophobicContact CG2-CB 3.91Å; V24-F199 HydrophobicContact CG2-CD2 3.94Å; V24-F199 HydrophobicContact CG2-CG 4.29Å; K54-F199 HydrophobicContact CD-CD1 4.16Å; K54-F199 HydrophobicContact CD-CD2 4.23Å; K54-F199 HydrophobicContact CD-CE1 4.44Å; K54-F199 HydrophobicContact CD-CG 4.04Å; L57-F199 HydrophobicContact CB-CZ 4.37Å; L57-F199 HydrophobicContact CD2-CE2 3.99Å; L57-F199 HydrophobicContact CD2-CZ 3.62Å; L109-F199 HydrophobicContact CD2-CD2 4.5Å; L109-F199 HydrophobicContact CD2-CE2 3.79Å; L195-F199 PolarHBondContact O-N 2.95Å; L195-F199 VanDerWaalsContact O-N 3.16Å; Y196-F199 WeakPolarHBondContact O-CB 3.27Å; Y196-F199 PolarHBondContact O-N 3.46Å; Y196-F199 VanDerWaalsContact O-N 3.09Å; W197-F199 VanDerWaalsContact C-N 3.33Å; F199-L201 VanDerWaalsContact C-N 3.33Å; F199-L201 PolarHBondContact O-N 2.84Å; F199-H202 WeakPolarHBondContact O-CB 3.48Å; F199-H202 PolarHBondContact O-N 3.4Å; F199-H202 VanDerWaalsContact O-N 3.14Å; F199-L203 HydrophobicContact CD1-CD1 4.1Å; F199-L203 HydrophobicContact CE1-CD1 3.47Å; F199-L203 VanDerWaalsContact CE1-CD1 3.47Å; F199-L203 HydrophobicContact CE1-CG 4.18Å; F199-L203 HydrophobicContact CZ-CD1 3.75Å; F199-L203 HydrophobicContact CZ-CD2 4.33Å; F199-L203 HydrophobicContact CZ-CG 4.18Å; F199-L203 PolarHBondContact O-N 3.02Å
200D91Very high91.9Very high39 Ų3929.5 Ų29.521%0.20916%0.159CC..Hα-helixtrans-63.3-40.3179-67.4-24.9000112.1T61 Y196 W197 H202 L203 A204T61-D200 WeakPolarHBondContact CG2-OD2 3.46Å; T61-D200 PolarHBondContact OG1-OD2 3.32Å; Y196-D200 PolarHBondContact O-N 3.32Å; W197-D200 HydrophobicContact CE3-CB 4.3Å; W197-D200 PolarHBondContact O-N 2.9Å; D200-H202 VanDerWaalsContact C-N 3.34Å; D200-L203 PolarHBondContact O-N 3.45Å; D200-A204 WeakPolarHBondContact O-CB 3.27Å; D200-A204 PolarHBondContact O-N 3.32Å
201L92.6Very high92.5Very high0 Ų030.9 Ų30.90%017%0.173CC..Hα-helixtrans-60-45.5173.5175.661.9000110.9P143 F159 L162 L163 H166 W197 F199 A204 L205P143-L201 HydrophobicContact CB-CD2 4.16Å; P143-L201 HydrophobicContact CB-CG 4.35Å; F159-L201 HydrophobicContact CD2-CD2 3.85Å; F159-L201 HydrophobicContact CE2-CD2 3.72Å; L162-L201 HydrophobicContact CB-CD1 4.36Å; L162-L201 HydrophobicContact CB-CD2 3.89Å; L163-L201 HydrophobicContact CD1-CB 4.27Å; H166-L201 HydrophobicContact CB-CD1 3.85Å; W197-L201 WeakPolarHBondContact O-CB 3.23Å; W197-L201 PolarHBondContact O-N 2.9Å; F199-L201 VanDerWaalsContact C-N 3.33Å; F199-L201 PolarHBondContact O-N 2.84Å; L201-A204 PolarHBondContact O-N 3.38Å; L201-L205 HydrophobicContact CD1-CD1 3.8Å; L201-L205 HydrophobicContact CD1-CG 4Å; L201-L205 HydrophobicContact CD2-CD1 4.49Å; L201-L205 HydrophobicContact CG-CD1 3.79Å; L201-L205 HydrophobicContact CG-CG 4.39Å; L201-L205 WeakPolarHBondContact O-CB 3.48Å; L201-L205 VanDerWaalsContact O-CG 3.24Å; L201-L205 WeakPolarHBondContact O-CG 3.5Å; L201-L205 PolarHBondContact O-N 2.95Å
202H94.5Very high92.9Very high7 Ų734 Ų343%0.03219%0.187CC..Hα-helixtrans-56.7-50.8176.2169.765.3000111.4V111 Q141 P143 L198 F199 D200 A204 L205 C206V111-H202 HydrophobicContact CG1-CB 3.84Å; V111-H202 HydrophobicContact CG2-CB 4.28Å; Q141-H202 WeakPolarHBondContact CB-CE1 3.32Å; Q141-H202 VanDerWaalsContact CG-CE1 3.49Å; Q141-H202 WeakPolarHBondContact CG-CE1 3.32Å; P143-H202 HydrophobicContact CG-CB 3.93Å; L198-H202 WeakPolarHBondContact O-CB 3.39Å; L198-H202 PolarHBondContact O-N 2.89Å; F199-H202 WeakPolarHBondContact O-CB 3.48Å; F199-H202 PolarHBondContact O-N 3.4Å; F199-H202 VanDerWaalsContact O-N 3.14Å; D200-H202 VanDerWaalsContact C-N 3.34Å; H202-A204 VanDerWaalsContact C-N 3.35Å; H202-A204 PolarHBondContact O-N 3.27Å; H202-L205 PolarHBondContact O-N 3.43Å; H202-C206 PolarHBondContact CE1-SG 3.38Å; H202-C206 PolarHBondContact NE2-SG 3.27Å; H202-C206 PolarHBondContact O-N 3.45Å; H202-C206 PolarHBondContact O-SG 3.46Å
203L93.3Very high93.2Very high74 Ų7435.1 Ų35.139%0.38720%0.203SC..Hα-helixtrans-59.5-44.4178.9-65.9-177.3000112.3F199 D200 L205 C206 S207F199-L203 HydrophobicContact CD1-CD1 4.1Å; F199-L203 HydrophobicContact CE1-CD1 3.47Å; F199-L203 VanDerWaalsContact CE1-CD1 3.47Å; F199-L203 HydrophobicContact CE1-CG 4.18Å; F199-L203 HydrophobicContact CZ-CD1 3.75Å; F199-L203 HydrophobicContact CZ-CD2 4.33Å; F199-L203 HydrophobicContact CZ-CG 4.18Å; F199-L203 PolarHBondContact O-N 3.02Å; D200-L203 PolarHBondContact O-N 3.45Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.13Å; L203-C206 PolarHBondContact O-N 3.25Å; L203-S207 PolarHBondContact O-N 2.94Å
204A93.1Very high93.6Very high29 Ų2934.9 Ų34.924%0.2420%0.201CC..Hα-helixtrans-62.2-39.4177.800000112.3D200 L201 H202 K208D200-A204 WeakPolarHBondContact O-CB 3.27Å; D200-A204 PolarHBondContact O-N 3.32Å; L201-A204 PolarHBondContact O-N 3.38Å; H202-A204 VanDerWaalsContact C-N 3.35Å; H202-A204 PolarHBondContact O-N 3.27Å; A204-K208 WeakPolarHBondContact O-CG 3.33Å; A204-K208 PolarHBondContact O-N 3.3Å
205L95Very high93.9Very high0 Ų036.5 Ų36.50%020%0.202CC..Hα-helixtrans-69.9-42.5176.7-70.6169.5000111.8P143 L150 H166 L201 H202 L203 S207 K208 L209P143-L205 HydrophobicContact CB-CD1 3.8Å; P143-L205 WeakPolarHBondContact O-CD1 3.34Å; L150-L205 HydrophobicContact CD1-CD2 3.6Å; H166-L205 HydrophobicContact CB-CD2 4.17Å; H166-L205 WeakPolarHBondContact ND1-CD2 3.36Å; L201-L205 HydrophobicContact CD1-CD1 3.8Å; L201-L205 HydrophobicContact CD1-CG 4Å; L201-L205 HydrophobicContact CD2-CD1 4.49Å; L201-L205 HydrophobicContact CG-CD1 3.79Å; L201-L205 HydrophobicContact CG-CG 4.39Å; L201-L205 WeakPolarHBondContact O-CB 3.48Å; L201-L205 VanDerWaalsContact O-CG 3.24Å; L201-L205 WeakPolarHBondContact O-CG 3.5Å; L201-L205 PolarHBondContact O-N 2.95Å; H202-L205 PolarHBondContact O-N 3.43Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.13Å; L205-S207 PolarHBondContact O-N 3.3Å; L205-K208 WeakPolarHBondContact O-CB 3.36Å; L205-K208 PolarHBondContact O-N 2.87Å; L205-K208 VanDerWaalsContact O-N 3.14Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 2.81Å
206C94.9Very high94.1Very high12 Ų1241.3 Ų41.38%0.08123%0.225CC..Hα-helixtrans-57.9-47.4175.8-71.30000112H202 L203 K208 L209 Q210 W215H202-C206 PolarHBondContact CE1-SG 3.38Å; H202-C206 PolarHBondContact NE2-SG 3.27Å; H202-C206 PolarHBondContact O-N 3.45Å; H202-C206 PolarHBondContact O-SG 3.46Å; L203-C206 PolarHBondContact O-N 3.25Å; C206-K208 VanDerWaalsContact C-N 3.28Å; C206-K208 PolarHBondContact O-N 3.4Å; C206-L209 PolarHBondContact O-N 3.05Å; C206-Q210 WeakPolarHBondContact O-CG 3.37Å; C206-Q210 PolarHBondContact O-N 3.03Å; C206-W215 HydrophobicContact CB-CH2 4.48Å; C206-W215 HydrophobicContact CB-CZ3 3.87Å; C206-W215 VanDerWaalsContact SG-CZ3 3.57Å
207S95.4Very high94.3Very high72 Ų7241.3 Ų41.350%0.50323%0.225SC..Hα-helixtrans-59.6-38.8176.1178.60000112.1L203 L205 S211L203-S207 PolarHBondContact O-N 2.94Å; L205-S207 PolarHBondContact O-N 3.3Å; S207-S211 PolarHBondContact O-N 2.77Å; S207-S211 PolarHBondContact O-OG 3.27Å
208K95.6Very high94.6Very high66 Ų6638.2 Ų38.229%0.28721%0.213SC..Hα-helixtrans-68.3-42.1174.9-73.7175.9-178-1800112.4L150 H166 A204 L205 C206 Q210 S211 H212L150-K208 HydrophobicContact CD1-CB 3.79Å; L150-K208 HydrophobicContact CD1-CD 4.28Å; L150-K208 HydrophobicContact CD2-CB 4.05Å; H166-K208 PolarHBondContact ND1-NZ 2.81Å; H166-K208 VanDerWaalsContact ND1-NZ 3.13Å; H166-K208 PolarHBondContact O-NZ 2.72Å; A204-K208 WeakPolarHBondContact O-CG 3.33Å; A204-K208 PolarHBondContact O-N 3.3Å; L205-K208 WeakPolarHBondContact O-CB 3.36Å; L205-K208 PolarHBondContact O-N 2.87Å; L205-K208 VanDerWaalsContact O-N 3.14Å; C206-K208 VanDerWaalsContact C-N 3.28Å; C206-K208 PolarHBondContact O-N 3.4Å; K208-Q210 VanDerWaalsContact C-N 3.33Å; K208-Q210 PolarHBondContact O-N 3.23Å; K208-S211 WeakPolarHBondContact CA-OG 3.47Å; K208-S211 PolarHBondContact O-N 3.48Å; K208-S211 PolarHBondContact O-OG 3.38Å; K208-H212 WeakPolarHBondContact O-CB 3.23Å; K208-H212 PolarHBondContact O-N 3.24Å; K208-H212 PolarHBondContact O-ND1 3.49Å
209L96.5Very high94.7Very high0 Ų039.2 Ų39.20%022%0.22CC..Hα-helixtrans-60.2-44.7176.6-73174.5000111.1L149 L150 L205 C206 H212 G213 L214 W215 Y218L149-L209 HydrophobicContact CB-CD2 4.21Å; L149-L209 HydrophobicContact CD2-CD2 3.99Å; L149-L209 HydrophobicContact CG-CD2 4.28Å; L150-L209 HydrophobicContact CD2-CD2 3.89Å; L150-L209 HydrophobicContact CD2-CG 4.44Å; L150-L209 HydrophobicContact CG-CD2 3.84Å; L150-L209 HydrophobicContact CG-CG 4.41Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 2.81Å; C206-L209 PolarHBondContact O-N 3.05Å; L209-H212 CarbonylContact O-C 3.55Å; L209-H212 PolarHBondContact O-N 2.79Å; L209-G213 PolarHBondContact O-N 3.35Å; L209-G213 VanDerWaalsContact O-N 3.09Å; L209-L214 HydrophobicContact CB-CB 4.45Å; L209-L214 HydrophobicContact CD2-CB 3.73Å; L209-L214 HydrophobicContact CD2-CD1 4.17Å; L209-L214 PolarHBondContact O-N 3.22Å; L209-W215 HydrophobicContact CB-CE3 4.28Å; L209-W215 HydrophobicContact CD1-CE3 4.47Å; L209-Y218 HydrophobicContact CD1-CD1 3.98Å; L209-Y218 HydrophobicContact CD1-CD2 4.15Å; L209-Y218 HydrophobicContact CD1-CE1 4.48Å; L209-Y218 HydrophobicContact CD1-CG 3.79Å
210Q96.4Very high94.7Very high112 Ų11242 Ų4252%0.52323%0.233SC..Hα-helixtrans-62.2-48.4176.1-70.8172.1-20.300111.9C206 K208 H212 G213 W215C206-Q210 WeakPolarHBondContact O-CG 3.37Å; C206-Q210 PolarHBondContact O-N 3.03Å; K208-Q210 VanDerWaalsContact C-N 3.33Å; K208-Q210 PolarHBondContact O-N 3.23Å; Q210-H212 PolarHBondContact O-N 3.16Å; Q210-G213 PolarHBondContact O-N 3.21Å; Q210-W215 HydrophobicContact CG-CB 3.88Å; Q210-W215 HydrophobicContact CG-CD2 3.99Å; Q210-W215 HydrophobicContact CG-CE3 4.12Å; Q210-W215 HydrophobicContact CG-CG 3.88Å
211S95.8Very high94.9Very high89 Ų8940.2 Ų40.262%0.62222%0.223SC*.Hα-helixtrans-64.3-24178.864.10000113.5S207 K208S207-S211 PolarHBondContact O-N 2.77Å; S207-S211 PolarHBondContact O-OG 3.27Å; K208-S211 WeakPolarHBondContact CA-OG 3.47Å; K208-S211 PolarHBondContact O-N 3.48Å; K208-S211 PolarHBondContact O-OG 3.38Å
212H93.9Very high95.1Very high82 Ų8240.2 Ų40.238%0.3822%0.223SC..THydrogen-bonded Turntrans-95.88.1174.8-66.665.9000112.9K208 L209 Q210 L214 R537K208-H212 WeakPolarHBondContact O-CB 3.23Å; K208-H212 PolarHBondContact O-N 3.24Å; K208-H212 PolarHBondContact O-ND1 3.49Å; L209-H212 CarbonylContact O-C 3.55Å; L209-H212 PolarHBondContact O-N 2.79Å; Q210-H212 PolarHBondContact O-N 3.16Å; H212-L214 HydrophobicContact CB-CD1 3.97Å; H212-L214 HydrophobicContact CB-CG 4.18Å; H212-L214 PolarHBondContact O-N 3.19Å; H212-R537 PolarHBondContact O-NE 3.49Å; H212-R537 PolarHBondContact O-NH1 3.35Å; H212-R537 PolarHBondContact O-NH2 3.41Å
213G93.8Very high95.1Very high42 Ų4240.1 Ų40.143%0.43322%0.223SC..THydrogen-bonded Turntrans55.934.4-179.500000113.5L209 Q210L209-G213 PolarHBondContact O-N 3.35Å; L209-G213 VanDerWaalsContact O-N 3.09Å; Q210-G213 PolarHBondContact O-N 3.21Å
214L95.8Very high95.3Very high2 Ų239.6 Ų39.61%0.0122%0.216CC..  trans-106.81.3178-69171.4000111.8L149 L150 L209 H212 L217 Y218 G535 R537L149-L214 HydrophobicContact CD2-CB 4.17Å; L149-L214 HydrophobicContact CG-CD1 4.39Å; L149-L214 HydrophobicContact CG-CD2 4.49Å; L150-L214 HydrophobicContact CD2-CD1 4.11Å; L209-L214 HydrophobicContact CB-CB 4.45Å; L209-L214 HydrophobicContact CD2-CB 3.73Å; L209-L214 HydrophobicContact CD2-CD1 4.17Å; L209-L214 PolarHBondContact O-N 3.22Å; H212-L214 HydrophobicContact CB-CD1 3.97Å; H212-L214 HydrophobicContact CB-CG 4.18Å; H212-L214 PolarHBondContact O-N 3.19Å; L214-L217 HydrophobicContact CD2-CD2 4.2Å; L214-Y218 WeakPolarHBondContact O-CB 3.2Å; L214-Y218 PolarHBondContact O-N 2.98Å; L214-G535 VanDerWaalsContact CD2-O 3.31Å; L214-G535 WeakPolarHBondContact CD2-O 3.23Å; L214-R537 HydrophobicContact CD2-CG 4.06Å
215W95.8Very high95.4Very high70 Ų7038.2 Ų38.227%0.26520%0.204SC..Hα-helixtrans-66.6-47.2-173.8-179.5-105.6000112C206 L209 Q210 L217 Y218 S219C206-W215 HydrophobicContact CB-CH2 4.48Å; C206-W215 HydrophobicContact CB-CZ3 3.87Å; C206-W215 VanDerWaalsContact SG-CZ3 3.57Å; L209-W215 HydrophobicContact CB-CE3 4.28Å; L209-W215 HydrophobicContact CD1-CE3 4.47Å; Q210-W215 HydrophobicContact CG-CB 3.88Å; Q210-W215 HydrophobicContact CG-CD2 3.99Å; Q210-W215 HydrophobicContact CG-CE3 4.12Å; Q210-W215 HydrophobicContact CG-CG 3.88Å; W215-L217 PolarHBondContact O-N 3.11Å; W215-Y218 HydrophobicContact CE3-CD1 4.06Å; W215-Y218 HydrophobicContact CH2-CD1 4.43Å; W215-Y218 HydrophobicContact CH2-CE1 4.37Å; W215-Y218 AromaticContact CZ3-CD1 3.85Å; W215-Y218 HydrophobicContact CZ3-CD1 3.85Å; W215-Y218 HydrophobicContact CZ3-CE1 4.01Å; W215-Y218 CarbonylContact O-C 3.54Å; W215-Y218 WeakPolarHBondContact O-CB 3.06Å; W215-Y218 PolarHBondContact O-N 2.97Å; W215-Y218 VanDerWaalsContact O-N 3.11Å; W215-S219 PolarHBondContact O-N 2.91Å; W215-S219 PolarHBondContact O-OG 2.95Å
216E94.9Very high95.5Very high101 Ų10138.4 Ų38.447%0.47221%0.205SC..Hα-helixtrans-63.5-43180-64.476.3-169.400111Y218 S219 E220 L631E216-Y218 VanDerWaalsContact C-N 3.29Å; E216-Y218 PolarHBondContact O-N 3.2Å; E216-S219 PolarHBondContact O-N 2.8Å; E216-S219 PolarHBondContact O-OG 2.79Å; E216-E220 VanDerWaalsContact O-CB 3.27Å; E216-E220 WeakPolarHBondContact O-CB 3.4Å; E216-E220 WeakPolarHBondContact O-CG 3.38Å; E216-E220 PolarHBondContact O-N 3.47Å; E216-L631 HydrophobicContact CB-CD2 4.1Å
217L94.8Very high95.5Very high3 Ų338 Ų382%0.01620%0.203CC..Hα-helixtrans-60-41.1173.4176.663.3000111.6L149 L214 W215 I221 E222 M534 R536L149-L217 HydrophobicContact CD1-CD2 3.8Å; L149-L217 HydrophobicContact CD1-CG 4.45Å; L149-L217 HydrophobicContact CD2-CD2 4.26Å; L149-L217 HydrophobicContact CD2-CG 4.31Å; L214-L217 HydrophobicContact CD2-CD2 4.2Å; W215-L217 PolarHBondContact O-N 3.11Å; L217-I221 HydrophobicContact CD1-CB 4.18Å; L217-I221 HydrophobicContact CD1-CD1 3.55Å; L217-I221 HydrophobicContact CD1-CG1 4.39Å; L217-I221 WeakPolarHBondContact O-CB 3.45Å; L217-I221 PolarHBondContact O-N 2.65Å; L217-E222 PolarHBondContact O-N 2.84Å; L217-M534 HydrophobicContact CD1-CB 4.37Å; L217-R536 HydrophobicContact CD2-CB 3.58Å; L217-R536 HydrophobicContact CD2-CG 4.12Å
218Y96.4Very high95.6Very high0 Ų034.7 Ų34.70%018%0.179CC..Iπ-helixtrans-67.1-49.4177.1171.8-104.5000111.8Q141 D142 V145 S146 L209 L214 W215 E216 E222 L223Q141-Y218 VanDerWaalsContact OE1-CZ 3.26Å; Q141-Y218 PolarHBondContact OE1-OH 3.46Å; D142-Y218 PolarHBondContact N-OH 3.44Å; V145-Y218 HydrophobicContact CB-CE2 4.42Å; V145-Y218 HydrophobicContact CG1-CD2 4.28Å; V145-Y218 HydrophobicContact CG1-CE2 4.12Å; S146-Y218 VanDerWaalsContact OG-CE2 3.3Å; S146-Y218 WeakPolarHBondContact OG-CE2 3.49Å; L209-Y218 HydrophobicContact CD1-CD1 3.98Å; L209-Y218 HydrophobicContact CD1-CD2 4.15Å; L209-Y218 HydrophobicContact CD1-CE1 4.48Å; L209-Y218 HydrophobicContact CD1-CG 3.79Å; L214-Y218 WeakPolarHBondContact O-CB 3.2Å; L214-Y218 PolarHBondContact O-N 2.98Å; W215-Y218 HydrophobicContact CE3-CD1 4.06Å; W215-Y218 HydrophobicContact CH2-CD1 4.43Å; W215-Y218 HydrophobicContact CH2-CE1 4.37Å; W215-Y218 AromaticContact CZ3-CD1 3.85Å; W215-Y218 HydrophobicContact CZ3-CD1 3.85Å; W215-Y218 HydrophobicContact CZ3-CE1 4.01Å; W215-Y218 CarbonylContact O-C 3.54Å; W215-Y218 WeakPolarHBondContact O-CB 3.06Å; W215-Y218 PolarHBondContact O-N 2.97Å; W215-Y218 VanDerWaalsContact O-N 3.11Å; E216-Y218 VanDerWaalsContact C-N 3.29Å; E216-Y218 PolarHBondContact O-N 3.2Å; Y218-E222 HydrophobicContact CD2-CB 4.3Å; Y218-E222 PolarHBondContact O-N 2.84Å; Y218-L223 WeakPolarHBondContact O-CB 3.3Å; Y218-L223 PolarHBondContact O-N 2.8Å
219S95.1Very high95.6Very high20 Ų2031.5 Ų31.514%0.1417%0.166CC..Iπ-helixtrans-71.5-41.1-174.466.70000113.2W215 E216 R224W215-S219 PolarHBondContact O-N 2.91Å; W215-S219 PolarHBondContact O-OG 2.95Å; E216-S219 PolarHBondContact O-N 2.8Å; E216-S219 PolarHBondContact O-OG 2.79Å; S219-R224 WeakPolarHBondContact O-CG 3.28Å
220E94.2Very high95.6Very high63 Ų6331.5 Ų31.529%0.29417%0.166SC..Iπ-helixtrans-85.7-31.9-174.1-61-47.5119.900112.5E216 R224 L631E216-E220 VanDerWaalsContact O-CB 3.27Å; E216-E220 WeakPolarHBondContact O-CB 3.4Å; E216-E220 WeakPolarHBondContact O-CG 3.38Å; E216-E220 PolarHBondContact O-N 3.47Å; E220-R224 VanDerWaalsContact O-CG 3.29Å; E220-R224 WeakPolarHBondContact O-CG 3.48Å; E220-L631 HydrophobicContact CB-CD1 4.45Å; E220-L631 HydrophobicContact CB-CD2 4.33Å; E220-L631 HydrophobicContact CG-CD2 4.15Å
221I95.3Very high95.5Very high0 Ų026.5 Ų26.50%014%0.142CC..Iπ-helixtrans-110.9-67-176-66.2163.6000111.2L217 L223 R224 M225 M534 D571 K574 M575 I578 L631L217-I221 HydrophobicContact CD1-CB 4.18Å; L217-I221 HydrophobicContact CD1-CD1 3.55Å; L217-I221 HydrophobicContact CD1-CG1 4.39Å; L217-I221 WeakPolarHBondContact O-CB 3.45Å; L217-I221 PolarHBondContact O-N 2.65Å; I221-L223 PolarHBondContact O-N 3.49Å; I221-R224 PolarHBondContact O-N 3.07Å; I221-M225 HydrophobicContact CG2-CG 4.5Å; I221-M225 WeakPolarHBondContact O-CG 3.47Å; I221-M225 PolarHBondContact O-N 2.95Å; I221-M534 HydrophobicContact CD1-CB 4.2Å; I221-M534 HydrophobicContact CD1-SD 3.5Å; I221-M534 VanDerWaalsContact CD1-SD 3.5Å; I221-D571 HydrophobicContact CD1-CB 4.42Å; I221-K574 HydrophobicContact CG2-CB 3.78Å; I221-K574 HydrophobicContact CG2-CD 3.6Å; I221-K574 HydrophobicContact CG2-CG 4.35Å; I221-M575 HydrophobicContact CD1-CG 3.96Å; I221-M575 HydrophobicContact CD1-SD 3.9Å; I221-M575 HydrophobicContact CG1-CG 3.95Å; I221-M575 HydrophobicContact CG1-SD 3.35Å; I221-M575 WeakPolarHBondContact CG1-SD 3.16Å; I221-I578 HydrophobicContact CB-CD1 4.46Å; I221-I578 HydrophobicContact CG2-CD1 4.39Å; I221-I578 WeakPolarHBondContact O-CD1 3.4Å; I221-L631 HydrophobicContact CD1-CD1 4.19Å
222E95.9Very high95.4Very high0 Ų022.4 Ų22.40%011%0.114CC..Iπ-helixtrans-70.2-40.8-164.1-60.4-65.6-174.200113V145 W148 L149 L217 Y218 R224 M225 Q360 R536 K574V145-E222 HydrophobicContact CG1-CB 3.65Å; V145-E222 HydrophobicContact CG1-CG 4.46Å; W148-E222 WeakPolarHBondContact CH2-OE1 3.21Å; W148-E222 HydrophobicContact CZ3-CG 4.19Å; W148-E222 VanDerWaalsContact CZ3-OE1 3.28Å; W148-E222 WeakPolarHBondContact CZ3-OE1 3.43Å; L149-E222 HydrophobicContact CD2-CG 4.49Å; L217-E222 PolarHBondContact O-N 2.84Å; Y218-E222 HydrophobicContact CD2-CB 4.3Å; Y218-E222 PolarHBondContact O-N 2.84Å; E222-R224 VanDerWaalsContact C-N 3.35Å; E222-R224 PolarHBondContact O-N 3.2Å; E222-M225 PolarHBondContact O-N 2.85Å; E222-Q360 PolarHBondContact O-NE2 2.81Å; E222-Q360 PolarHBondContact OE2-NE2 2.98Å; E222-R536 IonicContact OE1-CZ 3.16Å; E222-R536 IonicContact OE1-NH1 3.3Å; E222-R536 PolarHBondContact OE1-NH1 3.31Å; E222-R536 IonicContact OE1-NH2 2.77Å; E222-R536 PolarHBondContact OE1-NH2 3.03Å; E222-K574 IonicContact OE1-NZ 2.67Å; E222-K574 PolarHBondContact OE1-NZ 2.9Å; E222-K574 IonicContact OE2-NZ 2.86Å; E222-K574 PolarHBondContact OE2-NZ 3.17Å
223L96Very high95.4Very high5 Ų519 Ų193%0.02610%0.098CC..Hα-helixtrans-62.5-43.5175.6-176.867.3000111.3Q139 I140 Q141 Y218 I221 M225 I226Q139-L223 HydrophobicContact CB-CD2 4.33Å; I140-L223 WeakPolarHBondContact O-CD1 3.49Å; Q141-L223 VanDerWaalsContact NE2-CD2 3.27Å; Y218-L223 WeakPolarHBondContact O-CB 3.3Å; Y218-L223 PolarHBondContact O-N 2.8Å; I221-L223 PolarHBondContact O-N 3.49Å; L223-M225 VanDerWaalsContact C-N 3.34Å; L223-M225 PolarHBondContact O-N 2.97Å; L223-I226 HydrophobicContact CD1-CD1 4.2Å; L223-I226 WeakPolarHBondContact O-CB 3.42Å; L223-I226 WeakPolarHBondContact O-CG1 3.35Å; L223-I226 PolarHBondContact O-N 3.19Å
224R95.8Very high95.2Very high63 Ų6317.7 Ų17.724%0.2388%0.082CC..Hα-helixtrans-68.5-32.3180-58.3-58.4-174.41319.9112.4Q139 S219 E220 I221 E222 I226 T227 I578Q139-R224 VanDerWaalsContact NE2-NH2 3.12Å; S219-R224 WeakPolarHBondContact O-CG 3.28Å; E220-R224 VanDerWaalsContact O-CG 3.29Å; E220-R224 WeakPolarHBondContact O-CG 3.48Å; I221-R224 PolarHBondContact O-N 3.07Å; E222-R224 VanDerWaalsContact C-N 3.35Å; E222-R224 PolarHBondContact O-N 3.2Å; R224-I226 PolarHBondContact O-N 3.47Å; R224-T227 PolarHBondContact O-OG1 3.46Å; R224-I578 HydrophobicContact CB-CD1 3.86Å; R224-I578 HydrophobicContact CB-CG1 3.97Å; R224-I578 HydrophobicContact CB-CG2 3.95Å; R224-I578 HydrophobicContact CG-CG2 4.41Å
225M96.4Very high94.9Very high0 Ų018.9 Ų18.90%09%0.088CC..Hα-helixtrans-63.6-25.5176.5-80.6-46.6-61.400113.4I221 E222 L223 T227 V228 L229 I368 K574 M577 I578I221-M225 HydrophobicContact CG2-CG 4.5Å; I221-M225 WeakPolarHBondContact O-CG 3.47Å; I221-M225 PolarHBondContact O-N 2.95Å; E222-M225 PolarHBondContact O-N 2.85Å; L223-M225 VanDerWaalsContact C-N 3.34Å; L223-M225 PolarHBondContact O-N 2.97Å; M225-T227 VanDerWaalsContact C-N 3.33Å; M225-T227 PolarHBondContact O-N 3.09Å; M225-V228 HydrophobicContact CE-CB 4.07Å; M225-V228 HydrophobicContact CE-CG1 4.01Å; M225-V228 PolarHBondContact O-N 3.05Å; M225-V228 HydrophobicContact SD-CB 4.44Å; M225-V228 HydrophobicContact SD-CG2 4.45Å; M225-L229 HydrophobicContact CE-CD2 4.07Å; M225-L229 HydrophobicContact CE-CG 4.16Å; M225-L229 WeakPolarHBondContact O-CB 3.45Å; M225-L229 VanDerWaalsContact O-CG 3.27Å; M225-L229 WeakPolarHBondContact O-CG 3.48Å; M225-L229 PolarHBondContact O-N 3.18Å; M225-I368 HydrophobicContact CE-CD1 3.58Å; M225-K574 HydrophobicContact CE-CG 4.4Å; M225-K574 HydrophobicContact CG-CB 4.05Å; M225-K574 HydrophobicContact CG-CD 3.88Å; M225-K574 HydrophobicContact CG-CG 3.9Å; M225-K574 HydrophobicContact SD-CB 3.88Å; M225-K574 HydrophobicContact SD-CG 3.98Å; M225-M577 HydrophobicContact CE-CB 4.27Å; M225-M577 HydrophobicContact CE-CE 3.41Å; M225-M577 VanDerWaalsContact CE-CE 3.41Å; M225-M577 HydrophobicContact CE-SD 3.78Å; M225-M577 HydrophobicContact SD-CB 4.23Å; M225-I578 HydrophobicContact CG-CD1 4Å; M225-I578 HydrophobicContact CG-CG1 4.31Å; M225-I578 HydrophobicContact SD-CD1 3.79Å; M225-I578 HydrophobicContact SD-CG1 3.53Å; M225-I578 VanDerWaalsContact SD-CG1 3.53Å
226I96.6Very high94.6Very high4 Ų417.4 Ų17.42%0.0219%0.088CC..Hα-helixtrans-58-46.6-178.3-63.3175.7000111A115 K116 L119 D142 V145 L223 R224 A230A115-I226 HydrophobicContact CB-CD1 4.32Å; A115-I226 HydrophobicContact CB-CG2 3.79Å; K116-I226 HydrophobicContact CB-CG2 4.01Å; L119-I226 HydrophobicContact CD1-CG2 4.06Å; D142-I226 HydrophobicContact CB-CD1 3.69Å; V145-I226 HydrophobicContact CG2-CD1 4.28Å; L223-I226 HydrophobicContact CD1-CD1 4.2Å; L223-I226 WeakPolarHBondContact O-CB 3.42Å; L223-I226 WeakPolarHBondContact O-CG1 3.35Å; L223-I226 PolarHBondContact O-N 3.19Å; R224-I226 PolarHBondContact O-N 3.47Å; I226-A230 WeakPolarHBondContact O-CB 3.41Å; I226-A230 PolarHBondContact O-N 2.96Å
227T95.6Very high94.4Very high5 Ų512.8 Ų12.83%0.0317%0.066CC..Hα-helixtrans-68-43.9179.156.10000111.1L119 V135 C138 R224 M225 L229 A230 V231L119-T227 HydrophobicContact CD1-CG2 3.7Å; V135-T227 WeakPolarHBondContact O-CG2 3.49Å; C138-T227 HydrophobicContact CB-CG2 4.22Å; C138-T227 WeakPolarHBondContact O-CG2 3.47Å; R224-T227 PolarHBondContact O-OG1 3.46Å; M225-T227 VanDerWaalsContact C-N 3.33Å; M225-T227 PolarHBondContact O-N 3.09Å; T227-L229 VanDerWaalsContact C-N 3.34Å; T227-L229 PolarHBondContact O-N 3.37Å; T227-A230 PolarHBondContact O-N 3.3Å; T227-V231 WeakPolarHBondContact O-CG2 3.46Å; T227-V231 PolarHBondContact O-N 3.01Å
228V96.5Very high94.3Very high1 Ų116 Ų161%0.0068%0.078CC..Hα-helixtrans-55.4-50.2177-178.60000110.5M225 V231 M232 M577 I578 F581 L594M225-V228 HydrophobicContact CE-CB 4.07Å; M225-V228 HydrophobicContact CE-CG1 4.01Å; M225-V228 PolarHBondContact O-N 3.05Å; M225-V228 HydrophobicContact SD-CB 4.44Å; M225-V228 HydrophobicContact SD-CG2 4.45Å; V228-V231 PolarHBondContact O-N 3.26Å; V228-M232 HydrophobicContact CG1-SD 4.04Å; V228-M232 VanDerWaalsContact O-CG 3.29Å; V228-M232 WeakPolarHBondContact O-CG 3.39Å; V228-M232 PolarHBondContact O-N 3.34Å; V228-M577 HydrophobicContact CG1-CB 4.43Å; V228-M577 HydrophobicContact CG1-CE 4.15Å; V228-I578 HydrophobicContact CG2-CG1 4.45Å; V228-F581 HydrophobicContact CG1-CD2 4.43Å; V228-F581 HydrophobicContact CG2-CB 4.07Å; V228-F581 HydrophobicContact CG2-CD1 3.8Å; V228-F581 HydrophobicContact CG2-CD2 4.2Å; V228-F581 HydrophobicContact CG2-CE1 4.21Å; V228-F581 HydrophobicContact CG2-CG 3.79Å; V228-L594 HydrophobicContact CG1-CD2 3.85Å
229L96.4Very high94.1Very high0 Ų016 Ų160%08%0.078CC..Hα-helixtrans-66.4-40.2-179.5-66-177.7000112.5K116 M225 T227 V231 M232 E233 W358 Q360 I368K116-L229 HydrophobicContact CD-CB 3.93Å; K116-L229 HydrophobicContact CG-CB 4.09Å; M225-L229 HydrophobicContact CE-CD2 4.07Å; M225-L229 HydrophobicContact CE-CG 4.16Å; M225-L229 WeakPolarHBondContact O-CB 3.45Å; M225-L229 VanDerWaalsContact O-CG 3.27Å; M225-L229 WeakPolarHBondContact O-CG 3.48Å; M225-L229 PolarHBondContact O-N 3.18Å; T227-L229 VanDerWaalsContact C-N 3.34Å; T227-L229 PolarHBondContact O-N 3.37Å; L229-V231 VanDerWaalsContact C-N 3.31Å; L229-V231 PolarHBondContact O-N 3.1Å; L229-M232 HydrophobicContact CD2-SD 3.99Å; L229-M232 PolarHBondContact O-N 3.24Å; L229-E233 WeakPolarHBondContact O-CG 3.36Å; L229-E233 PolarHBondContact O-N 3.28Å; L229-W358 HydrophobicContact CD2-CB 3.86Å; L229-W358 HydrophobicContact CD2-CG 4.2Å; L229-Q360 HydrophobicContact CD1-CB 3.77Å; L229-Q360 HydrophobicContact CD1-CG 4.24Å; L229-I368 HydrophobicContact CD1-CG2 4.3Å; L229-I368 HydrophobicContact CD2-CD1 3.92Å; L229-I368 HydrophobicContact CD2-CG2 4.05Å
230A95.8Very high94Very high0 Ų017.2 Ų17.20%08%0.084CC..Hα-helixtrans-61.4-40.9176.100000111.7K116 L119 R120 I226 T227 E233 S234K116-A230 HydrophobicContact CG-CB 4.05Å; L119-A230 HydrophobicContact CB-CB 3.55Å; L119-A230 HydrophobicContact CD1-CB 4.29Å; R120-A230 HydrophobicContact CB-CB 4.44Å; I226-A230 WeakPolarHBondContact O-CB 3.41Å; I226-A230 PolarHBondContact O-N 2.96Å; T227-A230 PolarHBondContact O-N 3.3Å; A230-E233 PolarHBondContact O-N 3.49Å; A230-S234 PolarHBondContact O-N 2.67Å; A230-S234 VanDerWaalsContact O-N 3.09Å
231V94.9Very high93.9Very high6 Ų617.9 Ų17.94%0.0369%0.085CC..Hα-helixtrans-67.7-44.1175.8174.50000111.2L123 W132 V135 T227 V228 L229 E233 S234 H235 F581L123-V231 HydrophobicContact CD1-CG2 3.89Å; W132-V231 HydrophobicContact CB-CB 4.47Å; W132-V231 HydrophobicContact CB-CG1 3.77Å; W132-V231 HydrophobicContact CB-CG2 3.83Å; W132-V231 HydrophobicContact CD2-CG1 3.95Å; W132-V231 HydrophobicContact CE3-CG1 3.99Å; W132-V231 HydrophobicContact CE3-CG2 4.31Å; W132-V231 HydrophobicContact CG-CG1 3.89Å; V135-V231 HydrophobicContact CG2-CG2 3.95Å; T227-V231 WeakPolarHBondContact O-CG2 3.46Å; T227-V231 PolarHBondContact O-N 3.01Å; V228-V231 PolarHBondContact O-N 3.26Å; L229-V231 VanDerWaalsContact C-N 3.31Å; L229-V231 PolarHBondContact O-N 3.1Å; V231-E233 VanDerWaalsContact C-N 3.3Å; V231-E233 PolarHBondContact O-N 2.93Å; V231-S234 WeakPolarHBondContact O-CB 3.31Å; V231-S234 PolarHBondContact O-N 3.02Å; V231-S234 PolarHBondContact O-OG 2.77Å; V231-H235 PolarHBondContact O-CD2 2.86Å; V231-H235 VanDerWaalsContact O-CD2 3.32Å; V231-H235 PolarHBondContact O-N 3.3Å; V231-F581 HydrophobicContact CB-CE2 4.01Å; V231-F581 HydrophobicContact CB-CZ 4.41Å; V231-F581 HydrophobicContact CG1-CE2 4.09Å; V231-F581 HydrophobicContact CG2-CE2 4.05Å; V231-F581 HydrophobicContact CG2-CZ 3.95Å
232M94.4Very high93.8Very high4 Ų419.5 Ų19.52%0.0210%0.103CC..Hα-helixtrans-55.5-43.4173.9-71.5172.969.900111.9V228 L229 S234 H235 W358 M577 L594V228-M232 HydrophobicContact CG1-SD 4.04Å; V228-M232 VanDerWaalsContact O-CG 3.29Å; V228-M232 WeakPolarHBondContact O-CG 3.39Å; V228-M232 PolarHBondContact O-N 3.34Å; L229-M232 HydrophobicContact CD2-SD 3.99Å; L229-M232 PolarHBondContact O-N 3.24Å; M232-S234 VanDerWaalsContact C-N 3.3Å; M232-S234 PolarHBondContact O-N 2.86Å; M232-H235 PolarHBondContact O-N 2.83Å; M232-W358 HydrophobicContact CE-CD2 4.15Å; M232-W358 HydrophobicContact CE-CH2 4.23Å; M232-W358 HydrophobicContact CE-CZ2 3.69Å; M232-M577 HydrophobicContact CE-CE 4.23Å; M232-M577 HydrophobicContact SD-CE 3.62Å; M232-L594 HydrophobicContact CE-CD2 4.38Å; M232-L594 HydrophobicContact CE-CG 4.19Å; M232-L594 HydrophobicContact CG-CB 4.38Å; M232-L594 HydrophobicContact CG-CD2 4.16Å; M232-L594 HydrophobicContact CG-CG 4.06Å; M232-L594 HydrophobicContact SD-CD2 3.62Å; M232-L594 HydrophobicContact SD-CG 3.91Å
233E93.6Very high93.6Very high9 Ų920 Ų204%0.04211%0.107CC..Hα-helixtrans-71.1-22.6177.3-69.1-164.5-164.300113.9K116 R120 L229 A230 V231 H235 S355 T357 W358K116-E233 WeakPolarHBondContact CE-OE1 3.45Å; K116-E233 IonicContact NZ-OE1 2.94Å; K116-E233 PolarHBondContact NZ-OE1 3.13Å; K116-E233 IonicContact NZ-OE2 3.9Å; R120-E233 WeakPolarHBondContact CD-OE2 3.29Å; R120-E233 HydrophobicContact CG-CB 4.1Å; R120-E233 IonicContact CZ-OE2 2.68Å; R120-E233 IonicContact NE-OE2 3.86Å; R120-E233 IonicContact NH1-OE2 3.99Å; R120-E233 PolarHBondContact NH1-OE2 3.4Å; L229-E233 WeakPolarHBondContact O-CG 3.36Å; L229-E233 PolarHBondContact O-N 3.28Å; A230-E233 PolarHBondContact O-N 3.49Å; V231-E233 VanDerWaalsContact C-N 3.3Å; V231-E233 PolarHBondContact O-N 2.93Å; E233-H235 VanDerWaalsContact C-N 3.29Å; E233-S355 PolarHBondContact O-OG 2.95Å; E233-T357 WeakPolarHBondContact OE1-CA 3.35Å; E233-W358 PolarHBondContact OE1-N 3.3Å
234S89.8Confident93.4Very high16 Ų1619.9 Ų19.911%0.11211%0.106CC..Hα-helixtrans-77.1-19.2175.181.50000112.6A230 V231 M232A230-S234 PolarHBondContact O-N 2.67Å; A230-S234 VanDerWaalsContact O-N 3.09Å; V231-S234 WeakPolarHBondContact O-CB 3.31Å; V231-S234 PolarHBondContact O-N 3.02Å; V231-S234 PolarHBondContact O-OG 2.77Å; M232-S234 VanDerWaalsContact C-N 3.3Å; M232-S234 PolarHBondContact O-N 2.86Å
235H88.3Confident93.3Very high27 Ų2722.3 Ų22.313%0.12512%0.118CC..  trans-93.8148.8175.1-66.2-40000110.9W132 V231 M232 E233 S355 L595W132-H235 AromaticContact CD1-NE2 3.94Å; V231-H235 PolarHBondContact O-CD2 2.86Å; V231-H235 VanDerWaalsContact O-CD2 3.32Å; V231-H235 PolarHBondContact O-N 3.3Å; M232-H235 PolarHBondContact O-N 2.83Å; E233-H235 VanDerWaalsContact C-N 3.29Å; H235-S355 VanDerWaalsContact O-CB 3.27Å; H235-S355 WeakPolarHBondContact O-CB 3.08Å; H235-S355 PolarHBondContact O-OG 3.04Å; H235-L595 HydrophobicContact CB-CD2 4.41Å
236C89.4Confident93.2Very high39 Ų3930.3 Ų30.326%0.26415%0.148SC..  trans-125.3145.6176.6-54.80000109.5Y353 I354C236-Y353 HydrophobicContact CB-CD1 4.01Å; C236-Y353 HydrophobicContact CB-CG 4.28Å; C236-I354 CarbonylContact C-O 3.21Å; C236-I354 WeakPolarHBondContact CA-O 3.27Å; C236-I354 WeakPolarHBondContact CB-O 3.4Å
237I91.8Very high93.1Very high4 Ų430.8 Ų30.82%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-93.6136174.6-47.5-178.1000108Y353 I354 F375 F407 F415 L595I237-Y353 WeakPolarHBondContact O-CA 3.16Å; I237-I354 HydrophobicContact CB-CG2 4.26Å; I237-I354 PolarHBondContact N-O 3.15Å; I237-I354 PolarHBondContact O-N 3.3Å; I237-F375 HydrophobicContact CD1-CD2 4.28Å; I237-F375 HydrophobicContact CD1-CE2 3.72Å; I237-F375 HydrophobicContact CD1-CZ 4.02Å; I237-F407 HydrophobicContact CG2-CB 4.37Å; I237-F407 HydrophobicContact CG2-CD1 3.86Å; I237-F415 HydrophobicContact CG2-CZ 4.01Å; I237-L595 HydrophobicContact CD1-CB 4.05Å; I237-L595 HydrophobicContact CD1-CD1 4.32Å; I237-L595 HydrophobicContact CG1-CB 4.25Å; I237-L595 HydrophobicContact CG1-CD1 4.08Å; I237-L595 HydrophobicContact CG1-CD2 4.34Å; I237-L595 HydrophobicContact CG1-CG 4.47Å
238Y92.7Very high93.1Very high69 Ų6931.1 Ų31.127%0.27115%0.154SC..EExtended strand (participates in β ladder)trans-77.2140.8173.8179-86.2000110.5N352 Y353 I408Y238-N352 WeakPolarHBondContact CA-O 3.44Å; Y238-N352 HydrophobicContact CD2-CB 3.83Å; Y238-N352 HydrophobicContact CE2-CB 3.35Å; Y238-N352 PolarHBondContact OH-ND2 3.18Å; Y238-Y353 HydrophobicContact CD2-CD1 4.48Å; Y238-Y353 AromaticContact CD2-CE1 3.97Å; Y238-Y353 HydrophobicContact CD2-CE1 3.97Å; Y238-Y353 HydrophobicContact CD2-CE2 4.29Å; Y238-Y353 AromaticContact CD2-CZ 3.85Å; Y238-Y353 HydrophobicContact CG-CE1 4.38Å; Y238-I408 WeakPolarHBondContact CB-O 3.44Å; Y238-I408 HydrophobicContact CD1-CB 4.15Å; Y238-I408 PolarHBondContact O-N 2.89Å
239V92.6Very high93Very high0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-135.6131.5-178.2-172.60000110.1K241 L244 I344 N352 I354 M406 F407V239-K241 PolarHBondContact O-N 2.81Å; V239-L244 HydrophobicContact CG1-CD1 3.38Å; V239-L244 HydrophobicContact CG1-CG 4.08Å; V239-I344 HydrophobicContact CG1-CG2 4.47Å; V239-N352 PolarHBondContact N-O 3.21Å; V239-I354 HydrophobicContact CG2-CB 4.36Å; V239-I354 HydrophobicContact CG2-CG2 3.47Å; V239-I354 VanDerWaalsContact CG2-CG2 3.47Å; V239-M406 CarbonylContact C-O 3.49Å; V239-M406 VanDerWaalsContact CA-O 3.31Å; V239-M406 WeakPolarHBondContact CA-O 3.5Å; V239-M406 HydrophobicContact CG1-CB 4.26Å; V239-M406 WeakPolarHBondContact CG1-O 3.5Å; V239-F407 HydrophobicContact CG2-CD1 3.67Å; V239-F407 HydrophobicContact CG2-CE1 3.81Å
240D92.4Very high92.9Very high47 Ų4738.4 Ų38.425%0.25119%0.193SC..  trans-72.796.5174.3-174.8-14000110.7G242 A243 L244 M406 I408D240-G242 VanDerWaalsContact C-N 3.27Å; D240-G242 PolarHBondContact O-N 3.17Å; D240-G242 WeakPolarHBondContact OD1-CA 3.39Å; D240-G242 PolarHBondContact OD1-N 3.32Å; D240-A243 HydrophobicContact CB-CB 3.91Å; D240-A243 VanDerWaalsContact CG-CB 3.42Å; D240-A243 PolarHBondContact O-N 2.88Å; D240-A243 PolarHBondContact OD1-N 3.26Å; D240-A243 WeakPolarHBondContact OD2-CB 3.42Å; D240-L244 WeakPolarHBondContact O-CG 3.5Å; D240-L244 PolarHBondContact O-N 3.04Å; D240-M406 PolarHBondContact N-O 2.92Å; D240-I408 HydrophobicContact CB-CD1 4.14Å
241K92.3Very high92.8Very high76 Ų7638.4 Ų38.433%0.3319%0.193SC..Hα-helixtrans-60.8-34.8176-170.5171.5-176.7170.70113.1V239 K245 L345 M348 K351 N352V239-K241 PolarHBondContact O-N 2.81Å; K241-K245 WeakPolarHBondContact O-CG 3.38Å; K241-K245 PolarHBondContact O-N 3.43Å; K241-L345 HydrophobicContact CG-CD2 4.05Å; K241-M348 HydrophobicContact CB-CE 4.08Å; K241-M348 HydrophobicContact CD-CE 4.18Å; K241-M348 HydrophobicContact CD-SD 4.3Å; K241-M348 HydrophobicContact CG-CE 4.29Å; K241-M348 HydrophobicContact CG-SD 4.23Å; K241-K351 WeakPolarHBondContact CD-O 3.2Å; K241-N352 WeakPolarHBondContact CB-OD1 3.4Å
242G92.6Very high92.8Very high35 Ų3538.9 Ų38.936%0.36120%0.199SC..Hα-helixtrans-69-44.7-179.900000111.1D240 K245 R246D240-G242 VanDerWaalsContact C-N 3.27Å; D240-G242 PolarHBondContact O-N 3.17Å; D240-G242 WeakPolarHBondContact OD1-CA 3.39Å; D240-G242 PolarHBondContact OD1-N 3.32Å; G242-K245 PolarHBondContact O-N 2.84Å; G242-R246 WeakPolarHBondContact O-CG 3.27Å; G242-R246 PolarHBondContact O-N 2.88Å; G242-R246 VanDerWaalsContact O-N 3.11Å; G242-R246 PolarHBondContact O-NE 3.02Å
243A91.8Very high92.8Very high11 Ų1143.4 Ų43.49%0.09123%0.227CC..Hα-helixtrans-65.9-38.4174.100000112.5D240 K245 R246 T247 M406D240-A243 HydrophobicContact CB-CB 3.91Å; D240-A243 VanDerWaalsContact CG-CB 3.42Å; D240-A243 PolarHBondContact O-N 2.88Å; D240-A243 PolarHBondContact OD1-N 3.26Å; D240-A243 WeakPolarHBondContact OD2-CB 3.42Å; A243-K245 PolarHBondContact O-N 2.87Å; A243-R246 PolarHBondContact O-N 2.93Å; A243-T247 WeakPolarHBondContact O-CB 3.25Å; A243-T247 PolarHBondContact O-N 3.12Å; A243-T247 PolarHBondContact O-OG1 2.95Å; A243-M406 VanDerWaalsContact C-SD 3.58Å; A243-M406 HydrophobicContact CB-CE 4.17Å; A243-M406 HydrophobicContact CB-SD 3.25Å; A243-M406 WeakPolarHBondContact CB-SD 3.39Å
244L92.6Very high92.8Very high1 Ų143.8 Ų43.81%0.00523%0.228CC..Hα-helixtrans-59.2-46.5172.7-80.5175.9000112.7V239 D240 T247 S248 V341 I344 L345 M406V239-L244 HydrophobicContact CG1-CD1 3.38Å; V239-L244 HydrophobicContact CG1-CG 4.08Å; D240-L244 WeakPolarHBondContact O-CG 3.5Å; D240-L244 PolarHBondContact O-N 3.04Å; L244-T247 PolarHBondContact O-N 3.3Å; L244-S248 WeakPolarHBondContact O-CB 3.47Å; L244-S248 PolarHBondContact O-N 3.21Å; L244-V341 HydrophobicContact CB-CG1 4.4Å; L244-V341 HydrophobicContact CD2-CB 4.37Å; L244-V341 HydrophobicContact CD2-CG1 3.89Å; L244-V341 WeakPolarHBondContact O-CG1 3.46Å; L244-I344 HydrophobicContact CD1-CG2 4.03Å; L244-L345 HydrophobicContact CB-CD1 4.27Å; L244-L345 HydrophobicContact CB-CD2 3.74Å; L244-L345 HydrophobicContact CB-CG 4.01Å; L244-L345 HydrophobicContact CD1-CD2 3.73Å; L244-L345 HydrophobicContact CD1-CG 4Å; L244-L345 HydrophobicContact CG-CD2 4.41Å; L244-M406 HydrophobicContact CD2-CB 4.04Å; L244-M406 HydrophobicContact CD2-CG 3.82Å; L244-M406 HydrophobicContact CG-CB 4.15Å; L244-M406 HydrophobicContact CG-CG 4.19Å
245K93.9Very high93.1Very high114 Ų11444 Ų4450%0.49623%0.228SC..Hα-helixtrans-62-49.5178.4-76.6-178174.5-169.80111.9K241 G242 A243 T247 S248 D249K241-K245 WeakPolarHBondContact O-CG 3.38Å; K241-K245 PolarHBondContact O-N 3.43Å; G242-K245 PolarHBondContact O-N 2.84Å; A243-K245 PolarHBondContact O-N 2.87Å; K245-T247 VanDerWaalsContact C-N 3.27Å; K245-T247 PolarHBondContact O-N 2.99Å; K245-S248 WeakPolarHBondContact O-CB 3.43Å; K245-S248 PolarHBondContact O-N 2.66Å; K245-D249 PolarHBondContact O-N 2.97Å
246R93.9Very high93.4Very high168 Ų16849.6 Ų49.663%0.63425%0.252SS*.Hα-helixtrans-55.7-43.4176.3-72.2-177.9-70.5158.3-2.9111.8G242 A243 D249 L250G242-R246 WeakPolarHBondContact O-CG 3.27Å; G242-R246 PolarHBondContact O-N 2.88Å; G242-R246 VanDerWaalsContact O-N 3.11Å; G242-R246 PolarHBondContact O-NE 3.02Å; A243-R246 PolarHBondContact O-N 2.93Å; R246-D249 PolarHBondContact O-N 3.1Å; R246-L250 WeakPolarHBondContact O-CB 3.26Å; R246-L250 PolarHBondContact O-N 2.93Å
247T93.8Very high93.7Very high15 Ų1550 Ų509%0.09225%0.25CC..Hα-helixtrans-66.7-39177.3-54.40000111.8A243 L244 K245 L250 L251 V341 I401 M406A243-T247 WeakPolarHBondContact O-CB 3.25Å; A243-T247 PolarHBondContact O-N 3.12Å; A243-T247 PolarHBondContact O-OG1 2.95Å; L244-T247 PolarHBondContact O-N 3.3Å; K245-T247 VanDerWaalsContact C-N 3.27Å; K245-T247 PolarHBondContact O-N 2.99Å; T247-L250 PolarHBondContact O-N 3.22Å; T247-L251 HydrophobicContact CG2-CD1 3.84Å; T247-L251 HydrophobicContact CG2-CG 4.26Å; T247-L251 WeakPolarHBondContact O-CB 3.06Å; T247-L251 VanDerWaalsContact O-CG 3.24Å; T247-L251 WeakPolarHBondContact O-CG 3.41Å; T247-L251 PolarHBondContact O-N 3.44Å; T247-V341 HydrophobicContact CG2-CG2 4.09Å; T247-I401 HydrophobicContact CG2-CD1 4.5Å; T247-I401 HydrophobicContact CG2-CG2 3.6Å; T247-M406 VanDerWaalsContact OG1-CE 3.29Å; T247-M406 WeakPolarHBondContact OG1-CE 3.5Å
248S95.4Very high93.8Very high11 Ų1149.8 Ų49.88%0.07725%0.249CC..Hα-helixtrans-61.1-44.2176-171.10000111.8L244 K245 G252 K337 D342L244-S248 WeakPolarHBondContact O-CB 3.47Å; L244-S248 PolarHBondContact O-N 3.21Å; K245-S248 WeakPolarHBondContact O-CB 3.43Å; K245-S248 PolarHBondContact O-N 2.66Å; S248-G252 PolarHBondContact O-N 3.09Å; S248-K337 VanDerWaalsContact O-CE 3.26Å; S248-K337 WeakPolarHBondContact O-CE 3.45Å; S248-K337 PolarHBondContact OG-NZ 3.43Å; S248-D342 WeakPolarHBondContact CB-OD1 3.22Å; S248-D342 PolarHBondContact OG-OD1 2.79Å
249D95.1Very high94Very high110 Ų11049.3 Ų49.359%0.58825%0.249SC*.Hα-helixtrans-67.1-42.3178.9-64.4-29.4000111.8K245 R246 G252 T253K245-D249 PolarHBondContact O-N 2.97Å; R246-D249 PolarHBondContact O-N 3.1Å; D249-G252 PolarHBondContact O-N 3.34Å; D249-T253 PolarHBondContact O-N 3.29Å; D249-T253 PolarHBondContact O-OG1 2.88Å
250L93.4Very high94.2Very high44 Ų4455.8 Ų55.823%0.2328%0.28CS..Hα-helixtrans-59.5-52.9175.2177.263.4000111.5R246 T247 G252 T253 K254 I385 V399 I401R246-L250 WeakPolarHBondContact O-CB 3.26Å; R246-L250 PolarHBondContact O-N 2.93Å; T247-L250 PolarHBondContact O-N 3.22Å; L250-G252 VanDerWaalsContact C-N 3.28Å; L250-G252 PolarHBondContact O-N 3.25Å; L250-T253 PolarHBondContact O-N 3.45Å; L250-K254 PolarHBondContact O-N 2.88Å; L250-I385 HydrophobicContact CD1-CD1 4.3Å; L250-I385 HydrophobicContact CD2-CD1 4.1Å; L250-I385 HydrophobicContact CG-CD1 3.94Å; L250-V399 HydrophobicContact CD2-CG1 4.08Å; L250-I401 HydrophobicContact CD2-CD1 3.76Å; L250-I401 HydrophobicContact CD2-CG1 4.39Å; L250-I401 HydrophobicContact CG-CD1 4.46Å
251L94.6Very high94.3Very high0 Ų056.6 Ų56.60%028%0.282CS..Hα-helixtrans-64.6-34.6178.5-66.4170.9000111.5T247 K254 M255 V333 I336 K337 V341 L383 I385 I401T247-L251 HydrophobicContact CG2-CD1 3.84Å; T247-L251 HydrophobicContact CG2-CG 4.26Å; T247-L251 WeakPolarHBondContact O-CB 3.06Å; T247-L251 VanDerWaalsContact O-CG 3.24Å; T247-L251 WeakPolarHBondContact O-CG 3.41Å; T247-L251 PolarHBondContact O-N 3.44Å; L251-K254 PolarHBondContact O-N 3.29Å; L251-M255 WeakPolarHBondContact O-CB 3.45Å; L251-M255 VanDerWaalsContact O-CG 3.26Å; L251-M255 WeakPolarHBondContact O-CG 3.24Å; L251-M255 PolarHBondContact O-N 3.44Å; L251-V333 HydrophobicContact CB-CG1 4.18Å; L251-V333 HydrophobicContact CD2-CG1 3.78Å; L251-I336 HydrophobicContact CD1-CB 4.37Å; L251-I336 HydrophobicContact CD1-CG2 3.83Å; L251-K337 HydrophobicContact CB-CB 3.84Å; L251-K337 HydrophobicContact CB-CD 4.19Å; L251-K337 HydrophobicContact CB-CG 3.92Å; L251-K337 HydrophobicContact CD1-CB 3.82Å; L251-K337 HydrophobicContact CD1-CG 4.32Å; L251-K337 HydrophobicContact CG-CB 4.47Å; L251-V341 HydrophobicContact CD1-CG2 4.08Å; L251-L383 HydrophobicContact CD2-CD2 3.95Å; L251-I385 HydrophobicContact CD2-CD1 4.48Å; L251-I401 HydrophobicContact CD2-CD1 3.58Å; L251-I401 HydrophobicContact CG-CD1 4.12Å
252G95.3Very high94.5Very high17 Ų1753 Ų5318%0.17527%0.266CS..Hα-helixtrans-62.1-42.3174.400000112.6S248 D249 L250 M255 K256S248-G252 PolarHBondContact O-N 3.09Å; D249-G252 PolarHBondContact O-N 3.34Å; L250-G252 VanDerWaalsContact C-N 3.28Å; L250-G252 PolarHBondContact O-N 3.25Å; G252-M255 PolarHBondContact O-N 2.97Å; G252-K256 WeakPolarHBondContact O-CG 3.31Å; G252-K256 PolarHBondContact O-N 3.25Å; G252-K256 VanDerWaalsContact O-N 3.15Å
253T94.1Very high94.7Very high98 Ų9853 Ų5360%0.60126%0.257SS*.Hα-helixtrans-63.5-48.4175-57.80000111.2D249 L250 M255 K256 Q257D249-T253 PolarHBondContact O-N 3.29Å; D249-T253 PolarHBondContact O-OG1 2.88Å; L250-T253 PolarHBondContact O-N 3.45Å; T253-M255 VanDerWaalsContact C-N 3.32Å; T253-M255 PolarHBondContact O-N 3.12Å; T253-K256 PolarHBondContact O-N 2.93Å; T253-Q257 PolarHBondContact O-N 3.45Å; T253-Q257 VanDerWaalsContact O-N 3.12Å
254K93.8Very high94.9Very high17 Ų1761.2 Ų61.27%0.07429%0.29CS..Hα-helixtrans-61.5-38.8177.5-177.962.4177.2-173.80112.5L250 L251 Q257 L258 E329 V333 I385 S386L250-K254 PolarHBondContact O-N 2.88Å; L251-K254 PolarHBondContact O-N 3.29Å; K254-Q257 WeakPolarHBondContact O-CB 3.43Å; K254-Q257 PolarHBondContact O-N 3.29Å; K254-L258 HydrophobicContact CD-CD1 4.43Å; K254-L258 HydrophobicContact CD-CG 4.43Å; K254-L258 HydrophobicContact CG-CD1 4.09Å; K254-L258 WeakPolarHBondContact O-CG 3.36Å; K254-L258 PolarHBondContact O-N 2.99Å; K254-E329 WeakPolarHBondContact CE-OE1 3.46Å; K254-E329 IonicContact NZ-OE1 3.76Å; K254-E329 PolarHBondContact NZ-OE1 3.02Å; K254-V333 HydrophobicContact CB-CG1 4.47Å; K254-V333 HydrophobicContact CG-CG1 4.38Å; K254-V333 HydrophobicContact CG-CG2 4.36Å; K254-I385 HydrophobicContact CB-CD1 4.44Å; K254-I385 HydrophobicContact CG-CG2 4.46Å; K254-S386 PolarHBondContact NZ-O 3.25Å
255M95.1Very high94.9Very high22 Ų2262.3 Ų62.311%0.10830%0.3CS..Hα-helixtrans-61.4-43.7175.3-80-177.763.600112.6L251 G252 T253 Q257 L258 E259 Y330 V333 H334 K337L251-M255 WeakPolarHBondContact O-CB 3.45Å; L251-M255 VanDerWaalsContact O-CG 3.26Å; L251-M255 WeakPolarHBondContact O-CG 3.24Å; L251-M255 PolarHBondContact O-N 3.44Å; G252-M255 PolarHBondContact O-N 2.97Å; T253-M255 VanDerWaalsContact C-N 3.32Å; T253-M255 PolarHBondContact O-N 3.12Å; M255-Q257 VanDerWaalsContact C-N 3.31Å; M255-Q257 PolarHBondContact O-N 3.11Å; M255-L258 PolarHBondContact O-N 3.38Å; M255-E259 WeakPolarHBondContact O-CB 3.43Å; M255-E259 PolarHBondContact O-N 2.92Å; M255-Y330 HydrophobicContact CB-CE2 4.19Å; M255-Y330 HydrophobicContact CE-CE1 4.22Å; M255-Y330 HydrophobicContact CE-CE2 3.89Å; M255-Y330 WeakPolarHBondContact CE-OH 3.5Å; M255-Y330 HydrophobicContact CG-CE2 4.42Å; M255-V333 HydrophobicContact CG-CB 4.35Å; M255-V333 HydrophobicContact CG-CG1 3.6Å; M255-H334 HydrophobicContact CE-CB 3.8Å; M255-H334 WeakPolarHBondContact CE-CD2 3.34Å; M255-H334 HydrophobicContact SD-CB 4.03Å; M255-K337 HydrophobicContact SD-CB 4.36Å; M255-K337 HydrophobicContact SD-CD 3.63Å
256K95.4Very high94.9Very high144 Ų14457.5 Ų57.563%0.62628%0.281SS*.Hα-helixtrans-62.3-40.1176.7-72.1179.7-179.1179.70111.6G252 T253 E259 Q260G252-K256 WeakPolarHBondContact O-CG 3.31Å; G252-K256 PolarHBondContact O-N 3.25Å; G252-K256 VanDerWaalsContact O-N 3.15Å; T253-K256 PolarHBondContact O-N 2.93Å; K256-E259 PolarHBondContact O-N 3.42Å; K256-Q260 WeakPolarHBondContact O-CG 3.19Å; K256-Q260 PolarHBondContact O-N 3.43Å; K256-Q260 VanDerWaalsContact O-N 3.08Å
257Q94.4Very high94.9Very high46 Ų4652.9 Ų52.922%0.21529%0.286CS..Hα-helixtrans-60.9-51.2174.5-177.8-171.3-10.400111.3T253 K254 M255 E259 Q260 E261T253-Q257 PolarHBondContact O-N 3.45Å; T253-Q257 VanDerWaalsContact O-N 3.12Å; K254-Q257 WeakPolarHBondContact O-CB 3.43Å; K254-Q257 PolarHBondContact O-N 3.29Å; M255-Q257 VanDerWaalsContact C-N 3.31Å; M255-Q257 PolarHBondContact O-N 3.11Å; Q257-E259 VanDerWaalsContact C-N 3.26Å; Q257-E259 PolarHBondContact O-N 2.96Å; Q257-Q260 PolarHBondContact O-N 2.92Å; Q257-Q260 VanDerWaalsContact O-N 3.16Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.49Å; Q257-E261 PolarHBondContact NE2-OE1 2.63Å; Q257-E261 WeakPolarHBondContact O-CG 3.4Å; Q257-E261 PolarHBondContact O-N 3.25Å
258L95.1Very high94.8Very high0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-62.8-32.7179.7-72.2168.8000112.5K254 M255 A262 I326 E329 Y330 V333K254-L258 HydrophobicContact CD-CD1 4.43Å; K254-L258 HydrophobicContact CD-CG 4.43Å; K254-L258 HydrophobicContact CG-CD1 4.09Å; K254-L258 WeakPolarHBondContact O-CG 3.36Å; K254-L258 PolarHBondContact O-N 2.99Å; M255-L258 PolarHBondContact O-N 3.38Å; L258-A262 VanDerWaalsContact O-CB 3.25Å; L258-A262 WeakPolarHBondContact O-CB 3.3Å; L258-A262 PolarHBondContact O-N 2.83Å; L258-I326 HydrophobicContact CB-CG2 4.4Å; L258-I326 HydrophobicContact CD2-CG2 4.09Å; L258-I326 VanDerWaalsContact O-CG2 3.32Å; L258-I326 WeakPolarHBondContact O-CG2 3.47Å; L258-E329 HydrophobicContact CD1-CB 4.28Å; L258-E329 HydrophobicContact CD1-CG 3.88Å; L258-E329 HydrophobicContact CD2-CB 4.3Å; L258-E329 HydrophobicContact CD2-CG 4.19Å; L258-Y330 HydrophobicContact CB-CD2 3.97Å; L258-V333 HydrophobicContact CD1-CG2 4.08Å
259E96.4Very high94.8Very high60 Ų6061 Ų6128%0.2832%0.324SS..Hα-helixtrans-64.9-46.1173.3176.7166.5-155.400111.9M255 K256 Q257 E261 A262 H263 V272 Y330M255-E259 WeakPolarHBondContact O-CB 3.43Å; M255-E259 PolarHBondContact O-N 2.92Å; K256-E259 PolarHBondContact O-N 3.42Å; Q257-E259 VanDerWaalsContact C-N 3.26Å; Q257-E259 PolarHBondContact O-N 2.96Å; E259-E261 PolarHBondContact O-N 3.23Å; E259-A262 WeakPolarHBondContact O-CB 3.18Å; E259-A262 PolarHBondContact O-N 3.34Å; E259-H263 VanDerWaalsContact CG-CE1 3.47Å; E259-H263 WeakPolarHBondContact CG-CE1 3.25Å; E259-H263 VanDerWaalsContact O-CG 3.31Å; E259-H263 PolarHBondContact O-N 2.71Å; E259-H263 IonicContact OE1-CE1 2.84Å; E259-V272 HydrophobicContact CB-CG2 4.36Å; E259-V272 HydrophobicContact CG-CG2 3.92Å; E259-Y330 HydrophobicContact CB-CE2 4.25Å
260Q95.9Very high94.8Very high136 Ų13656.2 Ų56.264%0.63630%0.299SS*.Hα-helixtrans-62.8-42.4175.2-69.6173.10.700112.1K256 Q257 A262 H263 K264K256-Q260 WeakPolarHBondContact O-CG 3.19Å; K256-Q260 PolarHBondContact O-N 3.43Å; K256-Q260 VanDerWaalsContact O-N 3.08Å; Q257-Q260 PolarHBondContact O-N 2.92Å; Q257-Q260 VanDerWaalsContact O-N 3.16Å; Q260-A262 VanDerWaalsContact C-N 3.32Å; Q260-A262 PolarHBondContact O-N 2.93Å; Q260-H263 PolarHBondContact O-N 3.36Å; Q260-K264 WeakPolarHBondContact O-CB 3.43Å; Q260-K264 PolarHBondContact O-N 2.84Å
261E95.1Very high94.9Very high63 Ų6358.2 Ų58.229%0.29431%0.309SS..Hα-helixtrans-62.5-39.8175-71.2174.9-171.400111.4Q257 E259 K264 A265 I326Q257-E261 WeakPolarHBondContact CG-OE1 3.49Å; Q257-E261 PolarHBondContact NE2-OE1 2.63Å; Q257-E261 WeakPolarHBondContact O-CG 3.4Å; Q257-E261 PolarHBondContact O-N 3.25Å; E259-E261 PolarHBondContact O-N 3.23Å; E261-K264 PolarHBondContact O-N 3.17Å; E261-A265 VanDerWaalsContact O-CB 3.24Å; E261-A265 WeakPolarHBondContact O-CB 3.06Å; E261-A265 PolarHBondContact O-N 3.36Å; E261-I326 HydrophobicContact CB-CD1 4.13Å; E261-I326 HydrophobicContact CB-CG2 4.29Å
262A95.9Very high94.7Very high1 Ų158.3 Ų58.31%0.00831%0.31CS..Hα-helixtrans-65-43.7175.800000111.9L258 E259 Q260 A265 A266 V272 L323 I326 I327L258-A262 VanDerWaalsContact O-CB 3.25Å; L258-A262 WeakPolarHBondContact O-CB 3.3Å; L258-A262 PolarHBondContact O-N 2.83Å; E259-A262 WeakPolarHBondContact O-CB 3.18Å; E259-A262 PolarHBondContact O-N 3.34Å; Q260-A262 VanDerWaalsContact C-N 3.32Å; Q260-A262 PolarHBondContact O-N 2.93Å; A262-A265 PolarHBondContact O-N 3.03Å; A262-A266 WeakPolarHBondContact O-CB 3.36Å; A262-A266 PolarHBondContact O-N 2.71Å; A262-V272 HydrophobicContact CB-CG2 4.18Å; A262-L323 HydrophobicContact CB-CD1 3.79Å; A262-I326 HydrophobicContact CB-CG2 3.92Å; A262-I327 HydrophobicContact CB-CD1 4.34Å
263H97Very high94.5Very high34 Ų3461 Ų6116%0.15732%0.323CS..Hα-helixtrans-63.1-44.2176.2-64.1162.6000111.6E259 Q260 A266 G267 E268 F270E259-H263 VanDerWaalsContact CG-CE1 3.47Å; E259-H263 WeakPolarHBondContact CG-CE1 3.25Å; E259-H263 VanDerWaalsContact O-CG 3.31Å; E259-H263 PolarHBondContact O-N 2.71Å; E259-H263 IonicContact OE1-CE1 2.84Å; Q260-H263 PolarHBondContact O-N 3.36Å; H263-A266 PolarHBondContact O-N 3.02Å; H263-G267 PolarHBondContact O-N 3.02Å; H263-E268 WeakPolarHBondContact CA-O 3.29Å; H263-E268 PolarHBondContact O-N 3.49Å; H263-F270 AromaticContact CD2-CD1 3.99Å; H263-F270 PolarHBondContact NE2-O 2.99Å
264K96.1Very high94.4Very high184 Ų18457.8 Ų57.880%0.830%0.304SS*.Hα-helixtrans-62.5-44.6176.4-172.6179.2-179.1-179.30111.8Q260 E261 G267Q260-K264 WeakPolarHBondContact O-CB 3.43Å; Q260-K264 PolarHBondContact O-N 2.84Å; E261-K264 PolarHBondContact O-N 3.17Å; K264-G267 PolarHBondContact O-N 2.68Å
265A94.1Very high94.1Very high24 Ų2458.3 Ų58.320%0.19831%0.31CS..Hα-helixtrans-66.6-37.2177.900000112.1E261 A262 G267 H321 P322 L323 I326E261-A265 VanDerWaalsContact O-CB 3.24Å; E261-A265 WeakPolarHBondContact O-CB 3.06Å; E261-A265 PolarHBondContact O-N 3.36Å; A262-A265 PolarHBondContact O-N 3.03Å; A265-G267 VanDerWaalsContact C-N 3.33Å; A265-H321 PolarHBondContact O-CE1 3.24Å; A265-H321 PolarHBondContact O-NE2 2.87Å; A265-P322 HydrophobicContact CB-CG 4.21Å; A265-L323 HydrophobicContact CB-CB 4.23Å; A265-L323 HydrophobicContact CB-CD1 4.47Å; A265-I326 HydrophobicContact CB-CD1 3.95Å
266A93.7Very high93.7Very high13 Ų1359.8 Ų59.811%0.10733%0.326CS..Hα-helixtrans-74.7-22.5177.700000113.4A262 H263 E268 F270 V281 L323A262-A266 WeakPolarHBondContact O-CB 3.36Å; A262-A266 PolarHBondContact O-N 2.71Å; H263-A266 PolarHBondContact O-N 3.02Å; A266-E268 HydrophobicContact CB-CG 4.25Å; A266-E268 PolarHBondContact O-N 2.84Å; A266-F270 HydrophobicContact CB-CD1 4.14Å; A266-F270 HydrophobicContact CB-CE1 3.73Å; A266-V281 HydrophobicContact CB-CG1 3.76Å; A266-L323 HydrophobicContact CB-CD2 4.09Å
267G93.3Very high93.5Very high71 Ų7157 Ų5773%0.73232%0.315SS*.THydrogen-bonded Turntrans74.510.8-172.200000113.6H263 K264 A265H263-G267 PolarHBondContact O-N 3.02Å; K264-G267 PolarHBondContact O-N 2.68Å; A265-G267 VanDerWaalsContact C-N 3.33Å
268E92.5Very high93.4Very high53 Ų5354.9 Ų54.925%0.24831%0.305CS..SBendtrans-155161.618069.2172.8135.600112.1H263 A266 V281 K285H263-E268 WeakPolarHBondContact CA-O 3.29Å; H263-E268 PolarHBondContact O-N 3.49Å; A266-E268 HydrophobicContact CB-CG 4.25Å; A266-E268 PolarHBondContact O-N 2.84Å; E268-V281 WeakPolarHBondContact OE1-CG2 3.47Å; E268-K285 WeakPolarHBondContact OE1-CD 3.42Å; E268-K285 WeakPolarHBondContact OE1-CE 3.44Å; E268-K285 IonicContact OE1-NZ 2.57Å; E268-K285 PolarHBondContact OE1-NZ 2.82Å; E268-K285 IonicContact OE2-NZ 2.6Å; E268-K285 PolarHBondContact OE2-NZ 3.4Å
269I95.4Very high93Very high143 Ų14359 Ų5973%0.73332%0.321SS*.  trans-89126.2173.8-59.9175.2000108.9
270F94.9Very high92.6Very high10 Ų1058.5 Ų58.54%0.04432%0.322CS..  trans-145.9160.717473.5-79000110.3H263 A266 V272 Q277 L278 V281 L323 I327H263-F270 AromaticContact CD2-CD1 3.99Å; H263-F270 PolarHBondContact NE2-O 2.99Å; A266-F270 HydrophobicContact CB-CD1 4.14Å; A266-F270 HydrophobicContact CB-CE1 3.73Å; F270-V272 HydrophobicContact CE2-CG2 4.28Å; F270-V272 HydrophobicContact CZ-CG2 4.2Å; F270-V272 PolarHBondContact O-N 2.8Å; F270-V272 VanDerWaalsContact O-N 3.15Å; F270-Q277 HydrophobicContact CB-CB 4.37Å; F270-Q277 HydrophobicContact CD2-CB 4.29Å; F270-L278 HydrophobicContact CE2-CB 4.16Å; F270-L278 HydrophobicContact CE2-CD1 3.9Å; F270-L278 HydrophobicContact CZ-CD1 4.03Å; F270-V281 HydrophobicContact CB-CG2 4.28Å; F270-V281 HydrophobicContact CD1-CG2 3.98Å; F270-V281 HydrophobicContact CD2-CG2 4.2Å; F270-V281 HydrophobicContact CE1-CG2 4.4Å; F270-V281 HydrophobicContact CG-CG2 3.88Å; F270-L323 HydrophobicContact CZ-CD1 4.29Å; F270-I327 HydrophobicContact CZ-CD1 4.22Å
271L93.8Very high92.3Very high86 Ų8652.1 Ų52.145%0.4529%0.292SS..  trans-74.6104.5176.5-177.559.9000110.1T273 S274L271-T273 WeakPolarHBondContact CD1-OG1 3.46Å; L271-T273 WeakPolarHBondContact CG-OG1 3Å; L271-T273 PolarHBondContact O-N 2.66Å; L271-S274 VanDerWaalsContact O-CB 3.29Å; L271-S274 WeakPolarHBondContact O-CB 2.91Å; L271-S274 PolarHBondContact O-N 3.15Å
272V92.4Very high92Very high3 Ų349.1 Ų49.12%0.01828%0.278CS..THydrogen-bonded Turntrans-59.9-30.4-176.1-179.50000112.9E259 A262 F270 S274 I327 Y330E259-V272 HydrophobicContact CB-CG2 4.36Å; E259-V272 HydrophobicContact CG-CG2 3.92Å; A262-V272 HydrophobicContact CB-CG2 4.18Å; F270-V272 HydrophobicContact CE2-CG2 4.28Å; F270-V272 HydrophobicContact CZ-CG2 4.2Å; F270-V272 PolarHBondContact O-N 2.8Å; F270-V272 VanDerWaalsContact O-N 3.15Å; V272-S274 VanDerWaalsContact C-N 3.3Å; V272-S274 PolarHBondContact O-N 3.31Å; V272-I327 HydrophobicContact CG1-CD1 3.63Å; V272-Y330 HydrophobicContact CB-CE1 4.26Å; V272-Y330 HydrophobicContact CB-CE2 4.45Å; V272-Y330 HydrophobicContact CG1-CD1 3.54Å; V272-Y330 HydrophobicContact CG1-CD2 3.97Å; V272-Y330 HydrophobicContact CG1-CE1 3.66Å; V272-Y330 HydrophobicContact CG1-CE2 4.05Å; V272-Y330 HydrophobicContact CG1-CG 3.71Å
273T91.1Very high91.5Very high74 Ų7450.1 Ų50.145%0.45428%0.282SS..THydrogen-bonded Turntrans-74.7-17.9175.757.10000113.2L271 S275 Y330L271-T273 WeakPolarHBondContact CD1-OG1 3.46Å; L271-T273 WeakPolarHBondContact CG-OG1 3Å; L271-T273 PolarHBondContact O-N 2.66Å; T273-S275 PolarHBondContact O-N 3.41Å; T273-Y330 HydrophobicContact CG2-CE1 3.99Å
274S91.2Very high91Very high29 Ų2953.8 Ų53.820%0.20330%0.3CS..  trans-82.2111.1-179.6-177.50000111.6L271 V272 A276 Q277 L278L271-S274 VanDerWaalsContact O-CB 3.29Å; L271-S274 WeakPolarHBondContact O-CB 2.91Å; L271-S274 PolarHBondContact O-N 3.15Å; V272-S274 VanDerWaalsContact C-N 3.3Å; V272-S274 PolarHBondContact O-N 3.31Å; S274-A276 PolarHBondContact O-N 2.9Å; S274-Q277 PolarHBondContact O-N 3.44Å; S274-Q277 PolarHBondContact OG-N 3.39Å; S274-L278 WeakPolarHBondContact O-CB 3.28Å; S274-L278 PolarHBondContact O-N 3.01Å
275S87.3Confident90.6Very high28 Ų2850.6 Ų50.620%0.19629%0.286CS..Hα-helixtrans-64.7-27174.4-67.60000113T273 R279 H307T273-S275 PolarHBondContact O-N 3.41Å; S275-R279 WeakPolarHBondContact O-CB 3.07Å; S275-R279 PolarHBondContact O-N 2.82Å; S275-H307 WeakPolarHBondContact CB-O 3.47Å
276A87.2Confident90.2Very high54 Ų5451 Ų5145%0.44628%0.284SS..Hα-helixtrans-72.5-50178.400000111.1S274 L278 R279 T280S274-A276 PolarHBondContact O-N 2.9Å; A276-L278 PolarHBondContact O-N 3.38Å; A276-R279 WeakPolarHBondContact O-CB 3.5Å; A276-R279 PolarHBondContact O-N 2.63Å; A276-R279 VanDerWaalsContact O-N 3.13Å; A276-T280 PolarHBondContact O-N 2.83Å
277Q91.4Very high89.8Confident86 Ų8656.7 Ų56.740%0.40230%0.303SS..Hα-helixtrans-64.9-43.3178.8-66.1-175.811.100111.3F270 S274 R279 T280 V281F270-Q277 HydrophobicContact CB-CB 4.37Å; F270-Q277 HydrophobicContact CD2-CB 4.29Å; S274-Q277 PolarHBondContact O-N 3.44Å; S274-Q277 PolarHBondContact OG-N 3.39Å; Q277-R279 PolarHBondContact O-N 3.04Å; Q277-T280 WeakPolarHBondContact O-CB 3.19Å; Q277-T280 PolarHBondContact O-N 2.6Å; Q277-T280 VanDerWaalsContact O-N 3.11Å; Q277-V281 WeakPolarHBondContact O-CG2 3.17Å; Q277-V281 PolarHBondContact O-N 2.73Å
278L90.6Very high89.2Confident0 Ų053.3 Ų53.30%027%0.268CS..Hα-helixtrans-57.7-34.5174.5179.766.4000112.4F270 S274 A276 L282 I309 L323 I327F270-L278 HydrophobicContact CE2-CB 4.16Å; F270-L278 HydrophobicContact CE2-CD1 3.9Å; F270-L278 HydrophobicContact CZ-CD1 4.03Å; S274-L278 WeakPolarHBondContact O-CB 3.28Å; S274-L278 PolarHBondContact O-N 3.01Å; A276-L278 PolarHBondContact O-N 3.38Å; L278-L282 HydrophobicContact CD1-CD1 3.9Å; L278-L282 HydrophobicContact CD1-CG 3.99Å; L278-L282 HydrophobicContact CD2-CD1 4.33Å; L278-L282 HydrophobicContact CG-CD1 3.8Å; L278-L282 HydrophobicContact CG-CG 4.28Å; L278-L282 WeakPolarHBondContact O-CB 3.14Å; L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.49Å; L278-L282 PolarHBondContact O-N 2.94Å; L278-I309 HydrophobicContact CB-CD1 4.01Å; L278-I309 HydrophobicContact CD2-CD1 3.75Å; L278-I309 HydrophobicContact CG-CD1 3.62Å; L278-L323 HydrophobicContact CD1-CD2 4.4Å; L278-I327 HydrophobicContact CD1-CD1 3.87Å; L278-I327 HydrophobicContact CD1-CG1 3.82Å; L278-I327 HydrophobicContact CD2-CG1 4.41Å; L278-I327 HydrophobicContact CD2-CG2 3.69Å
279R87.3Confident88.2Confident88 Ų8853.7 Ų53.733%0.33227%0.27SS..Hα-helixtrans-65.1-46.8176.5-177.8-167.5172-153.8-1.8111.1S275 A276 Q277 L282 F283 I309S275-R279 WeakPolarHBondContact O-CB 3.07Å; S275-R279 PolarHBondContact O-N 2.82Å; A276-R279 WeakPolarHBondContact O-CB 3.5Å; A276-R279 PolarHBondContact O-N 2.63Å; A276-R279 VanDerWaalsContact O-N 3.13Å; Q277-R279 PolarHBondContact O-N 3.04Å; R279-L282 PolarHBondContact O-N 3.15Å; R279-F283 HydrophobicContact CB-CD2 4.49Å; R279-F283 HydrophobicContact CG-CD2 3.73Å; R279-F283 HydrophobicContact CG-CE2 4.28Å; R279-F283 WeakPolarHBondContact O-CD2 3.45Å; R279-F283 PolarHBondContact O-N 3.17Å; R279-I309 VanDerWaalsContact CA-CD1 3.46Å; R279-I309 HydrophobicContact CB-CD1 3.8Å; R279-I309 HydrophobicContact CB-CG1 4.25Å
280T88.1Confident87.2Confident48 Ų4853 Ų5329%0.29426%0.264SS..Iπ-helixtrans-59-47.2176.1-62.70000110.8A276 Q277 L282 E284 K285A276-T280 PolarHBondContact O-N 2.83Å; Q277-T280 WeakPolarHBondContact O-CB 3.19Å; Q277-T280 PolarHBondContact O-N 2.6Å; Q277-T280 VanDerWaalsContact O-N 3.11Å; T280-L282 PolarHBondContact O-N 2.85Å; T280-E284 HydrophobicContact CG2-CB 4.31Å; T280-E284 WeakPolarHBondContact CG2-OE2 3.36Å; T280-E284 WeakPolarHBondContact O-CA 3.23Å; T280-E284 VanDerWaalsContact O-CB 3.31Å; T280-E284 WeakPolarHBondContact O-CB 3.31Å; T280-E284 PolarHBondContact O-N 3.24Å; T280-K285 PolarHBondContact O-N 3.09Å; T280-K285 VanDerWaalsContact O-N 3.15Å
281V91.1Very high86Confident3 Ų360 Ų602%0.01829%0.289CS..Iπ-helixtrans-57.5-54176.8177.50000111.2A266 E268 F270 Q277 L286 L323A266-V281 HydrophobicContact CB-CG1 3.76Å; E268-V281 WeakPolarHBondContact OE1-CG2 3.47Å; F270-V281 HydrophobicContact CB-CG2 4.28Å; F270-V281 HydrophobicContact CD1-CG2 3.98Å; F270-V281 HydrophobicContact CD2-CG2 4.2Å; F270-V281 HydrophobicContact CE1-CG2 4.4Å; F270-V281 HydrophobicContact CG-CG2 3.88Å; Q277-V281 WeakPolarHBondContact O-CG2 3.17Å; Q277-V281 PolarHBondContact O-N 2.73Å; V281-L286 HydrophobicContact CG1-CD1 4Å; V281-L286 HydrophobicContact CG1-CG 4.34Å; V281-L286 WeakPolarHBondContact O-CB 3.42Å; V281-L286 WeakPolarHBondContact O-CG 3.4Å; V281-L286 PolarHBondContact O-N 3.43Å; V281-L323 HydrophobicContact CG1-CD2 3.65Å
282L87.9Confident84.6Confident0 Ų057.3 Ų57.30%028%0.278CS..Iπ-helixtrans-68.1-40.2-173.7-70.8172.7000113.6L278 R279 T280 R287 L288 I309 L314 L323 P324L278-L282 HydrophobicContact CD1-CD1 3.9Å; L278-L282 HydrophobicContact CD1-CG 3.99Å; L278-L282 HydrophobicContact CD2-CD1 4.33Å; L278-L282 HydrophobicContact CG-CD1 3.8Å; L278-L282 HydrophobicContact CG-CG 4.28Å; L278-L282 WeakPolarHBondContact O-CB 3.14Å; L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.49Å; L278-L282 PolarHBondContact O-N 2.94Å; R279-L282 PolarHBondContact O-N 3.15Å; T280-L282 PolarHBondContact O-N 2.85Å; L282-R287 PolarHBondContact O-N 3.27Å; L282-L288 HydrophobicContact CD2-CD1 3.67Å; L282-L288 PolarHBondContact O-N 3.02Å; L282-L288 VanDerWaalsContact O-N 3.14Å; L282-I309 HydrophobicContact CD1-CD1 3.78Å; L282-L314 HydrophobicContact CD1-CD2 3.71Å; L282-L323 HydrophobicContact CD2-CD2 3.82Å; L282-L323 HydrophobicContact CD2-CG 4.29Å; L282-P324 HydrophobicContact CD2-CG 4.12Å
283F85.8Confident82.8Confident21 Ų2166.5 Ų66.59%0.09232%0.321CS..Iπ-helixtrans-109.4-28.9-168.1-57.2-64.3000114.7R279 Q289 I309 K313 L317R279-F283 HydrophobicContact CB-CD2 4.49Å; R279-F283 HydrophobicContact CG-CD2 3.73Å; R279-F283 HydrophobicContact CG-CE2 4.28Å; R279-F283 WeakPolarHBondContact O-CD2 3.45Å; R279-F283 PolarHBondContact O-N 3.17Å; F283-Q289 HydrophobicContact CD1-CB 4.16Å; F283-Q289 PolarHBondContact O-NE2 2.72Å; F283-Q289 PolarHBondContact O-OE1 3.21Å; F283-I309 HydrophobicContact CE2-CD1 4.29Å; F283-I309 HydrophobicContact CE2-CG1 4.3Å; F283-K313 HydrophobicContact CE2-CD 4.42Å; F283-K313 HydrophobicContact CZ-CD 3.75Å; F283-K313 HydrophobicContact CZ-CG 4.44Å; F283-L317 HydrophobicContact CE1-CD1 3.97Å; F283-L317 HydrophobicContact CZ-CD1 4.07Å
284E86.1Confident80.8Confident112 Ų11267.6 Ų67.652%0.52332%0.323SS..Iπ-helixtrans-93.5-39.6-180-62.7168.9-145.700111.1T280 R287T280-E284 HydrophobicContact CG2-CB 4.31Å; T280-E284 WeakPolarHBondContact CG2-OE2 3.36Å; T280-E284 WeakPolarHBondContact O-CA 3.23Å; T280-E284 VanDerWaalsContact O-CB 3.31Å; T280-E284 WeakPolarHBondContact O-CB 3.31Å; T280-E284 PolarHBondContact O-N 3.24Å; E284-R287 VanDerWaalsContact O-CG 3.32Å; E284-R287 WeakPolarHBondContact O-CG 3.24Å; E284-R287 PolarHBondContact O-NE 2.94Å
285K87Confident78.8Confident117 Ų11776.1 Ų76.151%0.50936%0.357SS..Iπ-helixtrans-93.8-60.8-176.2-66.1179.1175.3-166.90113.4E268 T280 R287E268-K285 WeakPolarHBondContact OE1-CD 3.42Å; E268-K285 WeakPolarHBondContact OE1-CE 3.44Å; E268-K285 IonicContact OE1-NZ 2.57Å; E268-K285 PolarHBondContact OE1-NZ 2.82Å; E268-K285 IonicContact OE2-NZ 2.6Å; E268-K285 PolarHBondContact OE2-NZ 3.4Å; T280-K285 PolarHBondContact O-N 3.09Å; T280-K285 VanDerWaalsContact O-N 3.15Å; K285-R287 PolarHBondContact O-N 3.33Å
286L86.5Confident77Confident31 Ų3182.2 Ų82.216%0.16238%0.38CS..SBendtrans-72.5-19.7178.2-64.1177.4000112.5V281 L288 L323V281-L286 HydrophobicContact CG1-CD1 4Å; V281-L286 HydrophobicContact CG1-CG 4.34Å; V281-L286 WeakPolarHBondContact O-CB 3.42Å; V281-L286 WeakPolarHBondContact O-CG 3.4Å; V281-L286 PolarHBondContact O-N 3.43Å; L286-L288 HydrophobicContact CB-CD2 4.01Å; L286-L288 HydrophobicContact CB-CG 3.88Å; L286-L288 PolarHBondContact O-N 3.08Å; L286-L288 VanDerWaalsContact O-N 3.13Å; L286-L323 HydrophobicContact CD1-CD2 3.79Å
287R85.1Confident75.2Confident133 Ų13381.3 Ų81.350%0.50237%0.367SS..  trans47.840.2178.4-60.1-175179.1-171.21.6113.3L282 E284 K285 Q289 E290L282-R287 PolarHBondContact O-N 3.27Å; E284-R287 VanDerWaalsContact O-CG 3.32Å; E284-R287 WeakPolarHBondContact O-CG 3.24Å; E284-R287 PolarHBondContact O-NE 2.94Å; K285-R287 PolarHBondContact O-N 3.33Å; R287-Q289 PolarHBondContact O-N 3.22Å; R287-E290 HydrophobicContact CB-CG 4.34Å; R287-E290 WeakPolarHBondContact CD-OE2 3.43Å; R287-E290 IonicContact NH1-OE2 3.98Å; R287-E290 WeakPolarHBondContact O-CB 3.49Å; R287-E290 PolarHBondContact O-N 3.4Å
288L80.6Confident73.1Confident0 Ų080.8 Ų80.80%037%0.372CS..THydrogen-bonded Turntrans-60.7-25.2-173.8-61.4-178.4000113L282 L286 E290 R291 C292 L317 H321 P324L282-L288 HydrophobicContact CD2-CD1 3.67Å; L282-L288 PolarHBondContact O-N 3.02Å; L282-L288 VanDerWaalsContact O-N 3.14Å; L286-L288 HydrophobicContact CB-CD2 4.01Å; L286-L288 HydrophobicContact CB-CG 3.88Å; L286-L288 PolarHBondContact O-N 3.08Å; L286-L288 VanDerWaalsContact O-N 3.13Å; L288-E290 VanDerWaalsContact C-N 3.28Å; L288-E290 PolarHBondContact O-N 3.01Å; L288-R291 PolarHBondContact O-N 2.83Å; L288-C292 PolarHBondContact O-N 2.98Å; L288-L317 HydrophobicContact CB-CD2 4.15Å; L288-H321 HydrophobicContact CD1-CB 3.77Å; L288-H321 HydrophobicContact CD2-CB 3.72Å; L288-H321 HydrophobicContact CG-CB 4.42Å; L288-P324 HydrophobicContact CD1-CG 4.23Å
289Q72.5Confident70.8Confident62 Ų6290.2 Ų90.229%0.2941%0.412SS..THydrogen-bonded Turntrans-63.7-30.3174.873.2-74-4.300113.8F283 R287 R291 L297F283-Q289 HydrophobicContact CD1-CB 4.16Å; F283-Q289 PolarHBondContact O-NE2 2.72Å; F283-Q289 PolarHBondContact O-OE1 3.21Å; R287-Q289 PolarHBondContact O-N 3.22Å; Q289-R291 VanDerWaalsContact C-N 3.3Å; Q289-L297 HydrophobicContact CB-CD1 3.88Å
290E73.1Confident68.7Low128 Ų12890.5 Ų90.560%0.59842%0.424SS*.THydrogen-bonded Turntrans-76.4-25-179.8-65.2174-170.500111R287 L288R287-E290 HydrophobicContact CB-CG 4.34Å; R287-E290 WeakPolarHBondContact CD-OE2 3.43Å; R287-E290 IonicContact NH1-OE2 3.98Å; R287-E290 WeakPolarHBondContact O-CB 3.49Å; R287-E290 PolarHBondContact O-N 3.4Å; L288-E290 VanDerWaalsContact C-N 3.28Å; L288-E290 PolarHBondContact O-N 3.01Å
291R69.5Low66.5Low156 Ų15690.6 Ų90.659%0.58943%0.425SS*.SBendtrans-87.7-7.9178.7-57.5-176.7-175-174.30.5113.5L288 Q289 E293L288-R291 PolarHBondContact O-N 2.83Å; Q289-R291 VanDerWaalsContact C-N 3.3Å; R291-E293 PolarHBondContact O-N 2.81Å; R291-E293 VanDerWaalsContact O-N 3.09Å
292C64.9Low64.1Low30 Ų30100.8 Ų100.820%0.20346%0.464CS..  trans-72.797.8169.9-73.20000109.4L288 N294 L297 L320L288-C292 PolarHBondContact O-N 2.98Å; C292-N294 CarbonylContact O-C 3.46Å; C292-N294 PolarHBondContact O-N 3.35Å; C292-L297 HydrophobicContact CB-CD1 4.44Å; C292-L320 WeakPolarHBondContact SG-CD1 3.49Å
293E54.2Low61.8Low197 Ų197111.8 Ų111.892%0.92151%0.506SS*.SBendtrans-53.9-29.1176-66.5-178.7162.700112.7R291 K295R291-E293 PolarHBondContact O-N 2.81Å; R291-E293 VanDerWaalsContact O-N 3.09Å; E293-K295 PolarHBondContact O-N 3.37Å
294N50.6Low59.5Low96 Ų96114.1 Ų114.151%0.51352%0.522SS..SBendtrans-78.3112.9168.8-84.3-48.1000110.2C292 K296C292-N294 CarbonylContact O-C 3.46Å; C292-N294 PolarHBondContact O-N 3.35Å; N294-K296 HydrophobicContact CB-CB 4.03Å; N294-K296 HydrophobicContact CB-CD 3.75Å; N294-K296 HydrophobicContact CB-CG 3.77Å; N294-K296 PolarHBondContact O-N 2.89Å; N294-K296 WeakPolarHBondContact OD1-CE 3.34Å
295K48.4Very low57.2Low209 Ų209113.5 Ų113.591%0.90953%0.53SS*.THydrogen-bonded Turntrans-57.127.7164.2-66.3176.9178.2169.80114.2E293E293-K295 PolarHBondContact O-N 3.37Å
296K48.7Very low55.3Low155 Ų155112.5 Ų112.567%0.67453%0.529SS*.THydrogen-bonded Turntrans-92-4.7-171.7-71.2-179.2-173170.30114.3N294 P298N294-K296 HydrophobicContact CB-CB 4.03Å; N294-K296 HydrophobicContact CB-CD 3.75Å; N294-K296 HydrophobicContact CB-CG 3.77Å; N294-K296 PolarHBondContact O-N 2.89Å; N294-K296 WeakPolarHBondContact OD1-CE 3.34Å; K296-P298 WeakPolarHBondContact O-CD 3.43Å
297L50.1Low53.6Low35 Ų35117.8 Ų117.818%0.18355%0.553CS.*SBendtrans-73.9116.4160.5-86.5150.7000106.7Q289 C292 K299 V301 K313Q289-L297 HydrophobicContact CB-CD1 3.88Å; C292-L297 HydrophobicContact CB-CD1 4.44Å; L297-K299 PolarHBondContact O-N 3.14Å; L297-V301 HydrophobicContact CD2-CG2 4.46Å; L297-K313 HydrophobicContact CD2-CD 4.4Å; L297-K313 HydrophobicContact CD2-CG 4.36Å
298P46.3Very low52.2Low76 Ų76120.5 Ų120.549%0.49456%0.563SS.*  trans-51.7131.9-176.1-25.132.4000110.4K296 T300 V301K296-P298 WeakPolarHBondContact O-CD 3.43Å; P298-T300 VanDerWaalsContact CB-OG1 3.29Å; P298-T300 WeakPolarHBondContact CB-OG1 3.14Å; P298-T300 PolarHBondContact O-N 3.43Å; P298-V301 HydrophobicContact CB-CG2 4.4Å; P298-V301 VanDerWaalsContact O-CB 3.27Å; P298-V301 WeakPolarHBondContact O-CB 3.2Å; P298-V301 WeakPolarHBondContact O-CG2 3.34Å; P298-V301 PolarHBondContact O-N 3Å
299K42.9Very low51.7Low197 Ų197121 Ų12186%0.85757%0.565SS**G310 helixtrans-54.2-19.3176.8-72.4-179.4175.6179.40112.9L297 V301 Y302L297-K299 PolarHBondContact O-N 3.14Å; K299-V301 PolarHBondContact O-N 3.35Å; K299-Y302 PolarHBondContact O-N 3.42Å
300T42.6Very low51.8Low94 Ų94127.1 Ų127.158%0.57759%0.586SS**G310 helixtrans-64-18171.119.80000114.9P298 Y302 R303 T304P298-T300 VanDerWaalsContact CB-OG1 3.29Å; P298-T300 WeakPolarHBondContact CB-OG1 3.14Å; P298-T300 PolarHBondContact O-N 3.43Å; T300-Y302 PolarHBondContact O-N 3.19Å; T300-R303 PolarHBondContact O-N 2.93Å; T300-R303 VanDerWaalsContact O-N 3.12Å; T300-T304 PolarHBondContact O-N 3.4Å; T300-T304 PolarHBondContact O-OG1 3.14Å
301V42.8Very low51.8Low50 Ų50123.5 Ų123.530%0.30358%0.578SS.*G310 helixtrans-64.2-20.3176.1174.80000112.3L297 P298 K299L297-V301 HydrophobicContact CD2-CG2 4.46Å; P298-V301 HydrophobicContact CB-CG2 4.4Å; P298-V301 VanDerWaalsContact O-CB 3.27Å; P298-V301 WeakPolarHBondContact O-CB 3.2Å; P298-V301 WeakPolarHBondContact O-CG2 3.34Å; P298-V301 PolarHBondContact O-N 3Å; K299-V301 PolarHBondContact O-N 3.35Å
302Y40.3Very low51.8Low218 Ų218121 Ų12186%0.85557%0.571SS**G310 helixtrans-78.3-23.2176.7-143.2-91.6000113.1K299 T300K299-Y302 PolarHBondContact O-N 3.42Å; T300-Y302 PolarHBondContact O-N 3.19Å
303R40.3Very low52.3Low230 Ų230121.7 Ų121.787%0.86857%0.571SS**THydrogen-bonded Turntrans-121.6-3-162-91.6-177.8155.9164.4-5.1116.7T300T300-R303 PolarHBondContact O-N 2.93Å; T300-R303 VanDerWaalsContact O-N 3.12Å
304T36.2Very low53.4Low71 Ų71112.3 Ų112.344%0.43653%0.527SS..SBendtrans-128.3121.7174.826.60000112.1T300 I306T300-T304 PolarHBondContact O-N 3.4Å; T300-T304 PolarHBondContact O-OG1 3.14Å; T304-I306 PolarHBondContact O-N 2.87Å
305S39.8Very low54.7Low98 Ų98112 Ų11269%0.68553%0.525SS*.  trans-10.446.9143.635.90000119H307S305-H307 PolarHBondContact O-CD2 3.48Å; S305-H307 PolarHBondContact O-N 2.95Å
306I46.1Very low55.9Low97 Ų97107.2 Ų107.250%0.49751%0.506SS..  trans-86.592168.8-59.8177.5000107.9T304 R308T304-I306 PolarHBondContact O-N 2.87Å; I306-R308 WeakPolarHBondContact CG2-O 3.37Å; I306-R308 PolarHBondContact O-N 3.09Å
307H50.9Low57.4Low142 Ų14299.9 Ų99.966%0.65747%0.474SS*.  trans-67.6-5.8176.3-69.2-82.2000114.2S275 S305S275-H307 WeakPolarHBondContact CB-O 3.47Å; S305-H307 PolarHBondContact O-CD2 3.48Å; S305-H307 PolarHBondContact O-N 2.95Å
308R56.1Low58.8Low190 Ų190101.8 Ų101.872%0.71748%0.482SS*.  trans-130.1115.5-170.8-152.9174.5-173.1131.10.3113.3I306 R310I306-R308 WeakPolarHBondContact CG2-O 3.37Å; I306-R308 PolarHBondContact O-N 3.09Å; R308-R310 PolarHBondContact O-N 3.16Å
309I70.4Confident60.5Low9 Ų9104.9 Ų104.95%0.04649%0.494CS..  trans-75.9116.6172.2-60.9165.1000109.2L278 R279 L282 F283 L314 R331L278-I309 HydrophobicContact CB-CD1 4.01Å; L278-I309 HydrophobicContact CD2-CD1 3.75Å; L278-I309 HydrophobicContact CG-CD1 3.62Å; R279-I309 VanDerWaalsContact CA-CD1 3.46Å; R279-I309 HydrophobicContact CB-CD1 3.8Å; R279-I309 HydrophobicContact CB-CG1 4.25Å; L282-I309 HydrophobicContact CD1-CD1 3.78Å; F283-I309 HydrophobicContact CE2-CD1 4.29Å; F283-I309 HydrophobicContact CE2-CG1 4.3Å; I309-L314 HydrophobicContact CG2-CD1 4.29Å; I309-L314 HydrophobicContact CG2-CD2 3.75Å; I309-L314 HydrophobicContact CG2-CG 3.77Å; I309-R331 PolarHBondContact O-NH1 2.72Å; I309-R331 PolarHBondContact O-NH2 3.05Å
310R74.9Confident62.5Low192 Ų19298.6 Ų98.673%0.72547%0.47SS*.  trans-85.5154.6179.4-63.6-177.4-179.7162-0111.7R308 K312 K313 L314R308-R310 PolarHBondContact O-N 3.16Å; R310-K312 VanDerWaalsContact C-N 3.3Å; R310-K312 PolarHBondContact O-N 3.29Å; R310-K313 WeakPolarHBondContact O-CB 3.42Å; R310-K313 PolarHBondContact O-N 3.45Å; R310-L314 PolarHBondContact O-N 2.9Å
311A72.5Confident64.7Low51 Ų5195.6 Ų95.642%0.42145%0.449SS..Hα-helixtrans-54.3-42.3179.300000113.1K313 L314 L315 L328A311-K313 PolarHBondContact O-N 2.88Å; A311-L314 WeakPolarHBondContact O-CB 3.18Å; A311-L314 PolarHBondContact O-N 3.33Å; A311-L315 PolarHBondContact O-N 3.1Å; A311-L328 HydrophobicContact CB-CD2 3.8Å
312K69.9Low67.1Low104 Ų10496.9 Ų96.945%0.45246%0.458SS..Hα-helixtrans-52.6-39.2175.6-175.3177.5179-179.40113R310 Q316R310-K312 VanDerWaalsContact C-N 3.3Å; R310-K312 PolarHBondContact O-N 3.29Å; K312-Q316 WeakPolarHBondContact O-CG 3.2Å; K312-Q316 PolarHBondContact O-N 3.46Å
313K74.3Confident69.6Low44 Ų4486.5 Ų86.519%0.19142%0.418CS..Hα-helixtrans-73.4-33.2-179.7-156.4-179.7-172.2-1680111.5F283 L297 R310 A311 L317F283-K313 HydrophobicContact CE2-CD 4.42Å; F283-K313 HydrophobicContact CZ-CD 3.75Å; F283-K313 HydrophobicContact CZ-CG 4.44Å; L297-K313 HydrophobicContact CD2-CD 4.4Å; L297-K313 HydrophobicContact CD2-CG 4.36Å; R310-K313 WeakPolarHBondContact O-CB 3.42Å; R310-K313 PolarHBondContact O-N 3.45Å; A311-K313 PolarHBondContact O-N 2.88Å; K313-L317 WeakPolarHBondContact O-CD1 3.28Å; K313-L317 VanDerWaalsContact O-CG 3.24Å; K313-L317 WeakPolarHBondContact O-CG 3.33Å
314L78.2Confident72Confident0 Ų075.6 Ų75.60%038%0.376CS..Hα-helixtrans-71.9-41.6176.1-65.5171.5000111.6L282 I309 R310 A311 Q316 L317 Q318 P324 I327 L328L282-L314 HydrophobicContact CD1-CD2 3.71Å; I309-L314 HydrophobicContact CG2-CD1 4.29Å; I309-L314 HydrophobicContact CG2-CD2 3.75Å; I309-L314 HydrophobicContact CG2-CG 3.77Å; R310-L314 PolarHBondContact O-N 2.9Å; A311-L314 WeakPolarHBondContact O-CB 3.18Å; A311-L314 PolarHBondContact O-N 3.33Å; L314-Q316 VanDerWaalsContact C-N 3.26Å; L314-Q316 PolarHBondContact O-N 3.32Å; L314-L317 CarbonylContact O-C 3.58Å; L314-L317 PolarHBondContact O-N 3.16Å; L314-Q318 PolarHBondContact O-N 3.22Å; L314-Q318 VanDerWaalsContact O-N 3.1Å; L314-P324 HydrophobicContact CB-CB 4.19Å; L314-P324 HydrophobicContact CD2-CB 4.12Å; L314-P324 WeakPolarHBondContact O-CB 3.17Å; L314-I327 HydrophobicContact CD1-CB 4.36Å; L314-I327 HydrophobicContact CD1-CG2 3.68Å; L314-L328 HydrophobicContact CB-CD1 3.89Å; L314-L328 HydrophobicContact CB-CD2 3.89Å; L314-L328 HydrophobicContact CB-CG 3.76Å; L314-L328 HydrophobicContact CD1-CD2 3.88Å; L314-L328 HydrophobicContact CD1-CG 4.03Å
315L76.7Confident74.6Confident91 Ų9178.8 Ų78.848%0.47638%0.384SS..Hα-helixtrans-57.3-40.3175.6-72.8168.6000111.7A311 L317 Q318 L328A311-L315 PolarHBondContact O-N 3.1Å; L315-L317 PolarHBondContact O-N 3.33Å; L315-Q318 WeakPolarHBondContact O-CG 3.46Å; L315-Q318 PolarHBondContact O-N 2.98Å; L315-L328 HydrophobicContact CD2-CD1 3.61Å; L315-L328 HydrophobicContact CG-CD1 3.86Å
316Q74.1Confident77.2Confident108 Ų10875.2 Ų75.251%0.50536%0.357SS..THydrogen-bonded Turntrans-66.9-18.1176.1-72177.2-23.300114.4K312 L314K312-Q316 WeakPolarHBondContact O-CG 3.2Å; K312-Q316 PolarHBondContact O-N 3.46Å; L314-Q316 VanDerWaalsContact C-N 3.26Å; L314-Q316 PolarHBondContact O-N 3.32Å
317L80.2Confident79.4Confident1 Ų170.6 Ų70.61%0.00533%0.333CS..THydrogen-bonded Turntrans-105.9-5.4-176.5-62.9173.1000112.5F283 L288 K313 L314 L315 D319 L320 H321 P324F283-L317 HydrophobicContact CE1-CD1 3.97Å; F283-L317 HydrophobicContact CZ-CD1 4.07Å; L288-L317 HydrophobicContact CB-CD2 4.15Å; K313-L317 WeakPolarHBondContact O-CD1 3.28Å; K313-L317 VanDerWaalsContact O-CG 3.24Å; K313-L317 WeakPolarHBondContact O-CG 3.33Å; L314-L317 CarbonylContact O-C 3.58Å; L314-L317 PolarHBondContact O-N 3.16Å; L315-L317 PolarHBondContact O-N 3.33Å; L317-D319 PolarHBondContact O-N 2.6Å; L317-L320 HydrophobicContact CD2-CD1 3.95Å; L317-L320 PolarHBondContact O-N 3.19Å; L317-L320 VanDerWaalsContact O-N 3.1Å; L317-H321 PolarHBondContact O-N 3.2Å; L317-P324 HydrophobicContact CB-CB 4.14Å; L317-P324 HydrophobicContact CB-CG 3.63Å
318Q79.8Confident81.3Confident75 Ų7565.4 Ų65.435%0.3531%0.311SS..THydrogen-bonded Turntrans-64.7-29.4-172.378-171.48.400113L314 L315 L320 H321 P324L314-Q318 PolarHBondContact O-N 3.22Å; L314-Q318 VanDerWaalsContact O-N 3.1Å; L315-Q318 WeakPolarHBondContact O-CG 3.46Å; L315-Q318 PolarHBondContact O-N 2.98Å; Q318-L320 VanDerWaalsContact C-N 3.32Å; Q318-H321 VanDerWaalsContact O-O 3.11Å; Q318-P324 HydrophobicContact CB-CB 4.5Å
319D82.3Confident83Confident140 Ų14058.9 Ų58.975%0.74929%0.288SS*.THydrogen-bonded Turntrans-80.3-19.2179.3-53.2-34.6000111.8L317L317-D319 PolarHBondContact O-N 2.6Å
320L84.7Confident84.2Confident66 Ų6659.1 Ų59.135%0.34629%0.289SS..THydrogen-bonded Turntrans-89.1-25.7-178.7-61.2176.9000112.9C292 L317 Q318C292-L320 WeakPolarHBondContact SG-CD1 3.49Å; L317-L320 HydrophobicContact CD2-CD1 3.95Å; L317-L320 PolarHBondContact O-N 3.19Å; L317-L320 VanDerWaalsContact O-N 3.1Å; Q318-L320 VanDerWaalsContact C-N 3.32Å
321H89.2Confident85.1Confident31 Ų3153.2 Ų53.214%0.14427%0.266CS..  trans-159.7144.6-175.9-163-88.3000111A265 L288 L317 Q318 L323 P324A265-H321 PolarHBondContact O-CE1 3.24Å; A265-H321 PolarHBondContact O-NE2 2.87Å; L288-H321 HydrophobicContact CD1-CB 3.77Å; L288-H321 HydrophobicContact CD2-CB 3.72Å; L288-H321 HydrophobicContact CG-CB 4.42Å; L317-H321 PolarHBondContact O-N 3.2Å; Q318-H321 VanDerWaalsContact O-O 3.11Å; H321-L323 VanDerWaalsContact C-N 3.33Å; H321-L323 WeakPolarHBondContact ND1-CB 3.47Å; H321-L323 PolarHBondContact ND1-N 3.25Å; H321-L323 PolarHBondContact O-N 3.35Å; H321-P324 VanDerWaalsContact O-CD 3.28Å; H321-P324 WeakPolarHBondContact O-CD 3.31Å
322P92.5Very high86Confident77 Ų7755.7 Ų55.750%0.527%0.269SS..Hα-helixtrans-66-31.617923.6-34.5000113.8A265 K325 I326A265-P322 HydrophobicContact CB-CG 4.21Å; P322-K325 PolarHBondContact O-N 2.9Å; P322-K325 VanDerWaalsContact O-N 3.12Å; P322-I326 HydrophobicContact CB-CD1 4.37Å; P322-I326 PolarHBondContact O-N 3.41Å
323L92.6Very high87.2Confident0 Ų050.7 Ų50.70%025%0.248CC..Hα-helixtrans-52.1-50.1-175.7-179.165.8000114A262 A265 A266 F270 L278 V281 L282 L286 H321 K325 I326 I327A262-L323 HydrophobicContact CB-CD1 3.79Å; A265-L323 HydrophobicContact CB-CB 4.23Å; A265-L323 HydrophobicContact CB-CD1 4.47Å; A266-L323 HydrophobicContact CB-CD2 4.09Å; F270-L323 HydrophobicContact CZ-CD1 4.29Å; L278-L323 HydrophobicContact CD1-CD2 4.4Å; V281-L323 HydrophobicContact CG1-CD2 3.65Å; L282-L323 HydrophobicContact CD2-CD2 3.82Å; L282-L323 HydrophobicContact CD2-CG 4.29Å; L286-L323 HydrophobicContact CD1-CD2 3.79Å; H321-L323 VanDerWaalsContact C-N 3.33Å; H321-L323 WeakPolarHBondContact ND1-CB 3.47Å; H321-L323 PolarHBondContact ND1-N 3.25Å; H321-L323 PolarHBondContact O-N 3.35Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 3.32Å; L323-I326 PolarHBondContact O-N 3.23Å; L323-I327 HydrophobicContact CD1-CD1 4.12Å; L323-I327 HydrophobicContact CD1-CG1 3.88Å; L323-I327 HydrophobicContact CG-CG1 4.11Å; L323-I327 VanDerWaalsContact O-CG1 3.25Å; L323-I327 WeakPolarHBondContact O-CG1 3.47Å; L323-I327 PolarHBondContact O-N 3.17Å
324P90.7Very high88.2Confident0 Ų051.9 Ų51.90%025%0.254CS..Hα-helixtrans-51.1-41.8175.1-29.729.8000115.8L282 L288 L314 L317 Q318 H321 I327 L328L282-P324 HydrophobicContact CD2-CG 4.12Å; L288-P324 HydrophobicContact CD1-CG 4.23Å; L314-P324 HydrophobicContact CB-CB 4.19Å; L314-P324 HydrophobicContact CD2-CB 4.12Å; L314-P324 WeakPolarHBondContact O-CB 3.17Å; L317-P324 HydrophobicContact CB-CB 4.14Å; L317-P324 HydrophobicContact CB-CG 3.63Å; Q318-P324 HydrophobicContact CB-CB 4.5Å; H321-P324 VanDerWaalsContact O-CD 3.28Å; H321-P324 WeakPolarHBondContact O-CD 3.31Å; P324-I327 PolarHBondContact O-N 3.19Å; P324-L328 VanDerWaalsContact O-CG 3.32Å; P324-L328 WeakPolarHBondContact O-CG 3.49Å; P324-L328 PolarHBondContact O-N 3.29Å
325K90.8Very high88.9Confident139 Ų13956.8 Ų56.860%0.60428%0.275SS*.Hα-helixtrans-65.5-47.3177.8-174.5178.6177.9-179.30111P322 L323 I327 L328 E329P322-K325 PolarHBondContact O-N 2.9Å; P322-K325 VanDerWaalsContact O-N 3.12Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 3.32Å; K325-I327 VanDerWaalsContact C-N 3.29Å; K325-I327 PolarHBondContact O-N 3.08Å; K325-L328 WeakPolarHBondContact O-CB 3.48Å; K325-L328 PolarHBondContact O-N 3.47Å; K325-L328 VanDerWaalsContact O-N 3.17Å; K325-E329 PolarHBondContact O-N 2.87Å
326I93.6Very high89.7Confident22 Ų2253 Ų5311%0.11326%0.255CS..Hα-helixtrans-58.2-43.1177.2-62.2164.4000110.8L258 E261 A262 A265 P322 L323 E329 Y330L258-I326 HydrophobicContact CB-CG2 4.4Å; L258-I326 HydrophobicContact CD2-CG2 4.09Å; L258-I326 VanDerWaalsContact O-CG2 3.32Å; L258-I326 WeakPolarHBondContact O-CG2 3.47Å; E261-I326 HydrophobicContact CB-CD1 4.13Å; E261-I326 HydrophobicContact CB-CG2 4.29Å; A262-I326 HydrophobicContact CB-CG2 3.92Å; A265-I326 HydrophobicContact CB-CD1 3.95Å; P322-I326 HydrophobicContact CB-CD1 4.37Å; P322-I326 PolarHBondContact O-N 3.41Å; L323-I326 PolarHBondContact O-N 3.23Å; I326-E329 PolarHBondContact O-N 3.26Å; I326-Y330 WeakPolarHBondContact O-CB 3.42Å; I326-Y330 PolarHBondContact O-N 3.31Å
327I94Very high90.7Very high0 Ų049.6 Ų49.60%024%0.239CC..Hα-helixtrans-67.3-37.6179.2-65.2-66.1000112.2A262 F270 V272 L278 L314 L323 P324 K325 R331A262-I327 HydrophobicContact CB-CD1 4.34Å; F270-I327 HydrophobicContact CZ-CD1 4.22Å; V272-I327 HydrophobicContact CG1-CD1 3.63Å; L278-I327 HydrophobicContact CD1-CD1 3.87Å; L278-I327 HydrophobicContact CD1-CG1 3.82Å; L278-I327 HydrophobicContact CD2-CG1 4.41Å; L278-I327 HydrophobicContact CD2-CG2 3.69Å; L314-I327 HydrophobicContact CD1-CB 4.36Å; L314-I327 HydrophobicContact CD1-CG2 3.68Å; L323-I327 HydrophobicContact CD1-CD1 4.12Å; L323-I327 HydrophobicContact CD1-CG1 3.88Å; L323-I327 HydrophobicContact CG-CG1 4.11Å; L323-I327 VanDerWaalsContact O-CG1 3.25Å; L323-I327 WeakPolarHBondContact O-CG1 3.47Å; L323-I327 PolarHBondContact O-N 3.17Å; P324-I327 PolarHBondContact O-N 3.19Å; K325-I327 VanDerWaalsContact C-N 3.29Å; K325-I327 PolarHBondContact O-N 3.08Å; I327-R331 HydrophobicContact CG2-CG 4.36Å; I327-R331 WeakPolarHBondContact O-CB 3.03Å; I327-R331 VanDerWaalsContact O-CG 3.22Å; I327-R331 WeakPolarHBondContact O-CG 3.12Å; I327-R331 PolarHBondContact O-N 2.67Å
328L90Very high91.4Very high34 Ų3452 Ų5218%0.17826%0.255CS..Hα-helixtrans-62.3-47.5175.4-76.1168.2000110.6A311 L314 L315 P324 K325 R331 Q332A311-L328 HydrophobicContact CB-CD2 3.8Å; L314-L328 HydrophobicContact CB-CD1 3.89Å; L314-L328 HydrophobicContact CB-CD2 3.89Å; L314-L328 HydrophobicContact CB-CG 3.76Å; L314-L328 HydrophobicContact CD1-CD2 3.88Å; L314-L328 HydrophobicContact CD1-CG 4.03Å; L315-L328 HydrophobicContact CD2-CD1 3.61Å; L315-L328 HydrophobicContact CG-CD1 3.86Å; P324-L328 VanDerWaalsContact O-CG 3.32Å; P324-L328 WeakPolarHBondContact O-CG 3.49Å; P324-L328 PolarHBondContact O-N 3.29Å; K325-L328 WeakPolarHBondContact O-CB 3.48Å; K325-L328 PolarHBondContact O-N 3.47Å; K325-L328 VanDerWaalsContact O-N 3.17Å; L328-R331 PolarHBondContact O-N 3.19Å; L328-Q332 PolarHBondContact O-N 3.26Å
329E92.5Very high92Very high53 Ų5350.9 Ų50.925%0.24825%0.254CS..Hα-helixtrans-61.4-48.6175.9-167-179.9156.200111.1K254 L258 K325 I326 R331 Q332 V333K254-E329 WeakPolarHBondContact CE-OE1 3.46Å; K254-E329 IonicContact NZ-OE1 3.76Å; K254-E329 PolarHBondContact NZ-OE1 3.02Å; L258-E329 HydrophobicContact CD1-CB 4.28Å; L258-E329 HydrophobicContact CD1-CG 3.88Å; L258-E329 HydrophobicContact CD2-CB 4.3Å; L258-E329 HydrophobicContact CD2-CG 4.19Å; K325-E329 PolarHBondContact O-N 2.87Å; I326-E329 PolarHBondContact O-N 3.26Å; E329-R331 VanDerWaalsContact C-N 3.31Å; E329-R331 PolarHBondContact O-N 2.83Å; E329-Q332 WeakPolarHBondContact O-CB 2.95Å; E329-Q332 PolarHBondContact O-N 3.1Å; E329-Q332 VanDerWaalsContact O-N 3.08Å; E329-V333 HydrophobicContact CG-CG2 4.38Å; E329-V333 WeakPolarHBondContact O-CG2 3.18Å; E329-V333 PolarHBondContact O-N 3.14Å
330Y94.7Very high92.5Very high14 Ų1445 Ų456%0.05522%0.221CC..Hα-helixtrans-55.8-45.3177-179.4-83.4000111.6M255 L258 E259 V272 T273 I326 Q332 V333 H334M255-Y330 HydrophobicContact CB-CE2 4.19Å; M255-Y330 HydrophobicContact CE-CE1 4.22Å; M255-Y330 HydrophobicContact CE-CE2 3.89Å; M255-Y330 WeakPolarHBondContact CE-OH 3.5Å; M255-Y330 HydrophobicContact CG-CE2 4.42Å; L258-Y330 HydrophobicContact CB-CD2 3.97Å; E259-Y330 HydrophobicContact CB-CE2 4.25Å; V272-Y330 HydrophobicContact CB-CE1 4.26Å; V272-Y330 HydrophobicContact CB-CE2 4.45Å; V272-Y330 HydrophobicContact CG1-CD1 3.54Å; V272-Y330 HydrophobicContact CG1-CD2 3.97Å; V272-Y330 HydrophobicContact CG1-CE1 3.66Å; V272-Y330 HydrophobicContact CG1-CE2 4.05Å; V272-Y330 HydrophobicContact CG1-CG 3.71Å; T273-Y330 HydrophobicContact CG2-CE1 3.99Å; I326-Y330 WeakPolarHBondContact O-CB 3.42Å; I326-Y330 PolarHBondContact O-N 3.31Å; Y330-Q332 VanDerWaalsContact C-N 3.32Å; Y330-Q332 PolarHBondContact O-N 3.33Å; Y330-V333 PolarHBondContact O-N 3.34Å; Y330-H334 HydrophobicContact CD1-CB 4.35Å; Y330-H334 HydrophobicContact CE1-CB 4.16Å; Y330-H334 WeakPolarHBondContact O-CB 3.32Å; Y330-H334 PolarHBondContact O-N 2.87Å
331R94Very high92.9Very high67 Ų6741.9 Ų41.925%0.25321%0.205SC..Hα-helixtrans-64.9-36.7179-76.2171.8174.3-164.5-3.6112.2I309 I327 L328 E329 K335I309-R331 PolarHBondContact O-NH1 2.72Å; I309-R331 PolarHBondContact O-NH2 3.05Å; I327-R331 HydrophobicContact CG2-CG 4.36Å; I327-R331 WeakPolarHBondContact O-CB 3.03Å; I327-R331 VanDerWaalsContact O-CG 3.22Å; I327-R331 WeakPolarHBondContact O-CG 3.12Å; I327-R331 PolarHBondContact O-N 2.67Å; L328-R331 PolarHBondContact O-N 3.19Å; E329-R331 VanDerWaalsContact C-N 3.31Å; E329-R331 PolarHBondContact O-N 2.83Å; R331-K335 VanDerWaalsContact O-CB 3.23Å; R331-K335 WeakPolarHBondContact O-CB 3.49Å; R331-K335 PolarHBondContact O-N 3.42Å
332Q91.6Very high93.2Very high103 Ų10342.9 Ų42.948%0.48121%0.212SC..Hα-helixtrans-66.4-54.6176.3-169.3179.4-100110.4L328 E329 Y330 H334 K335 I336 L383L328-Q332 PolarHBondContact O-N 3.26Å; E329-Q332 WeakPolarHBondContact O-CB 2.95Å; E329-Q332 PolarHBondContact O-N 3.1Å; E329-Q332 VanDerWaalsContact O-N 3.08Å; Y330-Q332 VanDerWaalsContact C-N 3.32Å; Y330-Q332 PolarHBondContact O-N 3.33Å; Q332-H334 PolarHBondContact O-N 2.81Å; Q332-K335 PolarHBondContact O-N 2.62Å; Q332-K335 VanDerWaalsContact O-N 3.14Å; Q332-I336 WeakPolarHBondContact O-CG1 3.04Å; Q332-I336 PolarHBondContact O-N 3.35Å; Q332-L383 VanDerWaalsContact CD-CD1 3.49Å; Q332-L383 HydrophobicContact CG-CD1 3.82Å
333V94.4Very high93.1Very high0 Ų040.2 Ų40.20%020%0.198CC..Hα-helixtrans-57-48.3177.8177.90000110.9L251 K254 M255 L258 E329 Y330 K335 I336 K337 L383 I385L251-V333 HydrophobicContact CB-CG1 4.18Å; L251-V333 HydrophobicContact CD2-CG1 3.78Å; K254-V333 HydrophobicContact CB-CG1 4.47Å; K254-V333 HydrophobicContact CG-CG1 4.38Å; K254-V333 HydrophobicContact CG-CG2 4.36Å; M255-V333 HydrophobicContact CG-CB 4.35Å; M255-V333 HydrophobicContact CG-CG1 3.6Å; L258-V333 HydrophobicContact CD1-CG2 4.08Å; E329-V333 HydrophobicContact CG-CG2 4.38Å; E329-V333 WeakPolarHBondContact O-CG2 3.18Å; E329-V333 PolarHBondContact O-N 3.14Å; Y330-V333 PolarHBondContact O-N 3.34Å; V333-K335 VanDerWaalsContact C-N 3.33Å; V333-K335 PolarHBondContact O-N 3.15Å; V333-I336 PolarHBondContact O-N 3.23Å; V333-K337 WeakPolarHBondContact O-CB 3.22Å; V333-K337 PolarHBondContact O-N 2.96Å; V333-L383 HydrophobicContact CG2-CD2 4.16Å; V333-I385 HydrophobicContact CG2-CG2 4.14Å
334H95.1Very high93.1Very high69 Ų6940.4 Ų40.432%0.31920%0.199SC..Hα-helixtrans-60-41.3177.5177-116.1000112.2M255 Y330 Q332 K337 S338M255-H334 HydrophobicContact CE-CB 3.8Å; M255-H334 WeakPolarHBondContact CE-CD2 3.34Å; M255-H334 HydrophobicContact SD-CB 4.03Å; Y330-H334 HydrophobicContact CD1-CB 4.35Å; Y330-H334 HydrophobicContact CE1-CB 4.16Å; Y330-H334 WeakPolarHBondContact O-CB 3.32Å; Y330-H334 PolarHBondContact O-N 2.87Å; Q332-H334 PolarHBondContact O-N 2.81Å; H334-K337 PolarHBondContact O-N 2.8Å; H334-S338 WeakPolarHBondContact O-CB 3.12Å; H334-S338 PolarHBondContact O-N 2.74Å
335K93.4Very high93.1Very high102 Ų10242.3 Ų42.344%0.44321%0.209SC..Hα-helixtrans-64-44.8178.2-178.161.5-178168.60111.2R331 Q332 V333 T339 F340R331-K335 VanDerWaalsContact O-CB 3.23Å; R331-K335 WeakPolarHBondContact O-CB 3.49Å; R331-K335 PolarHBondContact O-N 3.42Å; Q332-K335 PolarHBondContact O-N 2.62Å; Q332-K335 VanDerWaalsContact O-N 3.14Å; V333-K335 VanDerWaalsContact C-N 3.33Å; V333-K335 PolarHBondContact O-N 3.15Å; K335-T339 WeakPolarHBondContact CD-OG1 3.43Å; K335-T339 WeakPolarHBondContact CE-OG1 2.98Å; K335-T339 PolarHBondContact NZ-OG1 2.75Å; K335-T339 VanDerWaalsContact O-CB 3.29Å; K335-T339 WeakPolarHBondContact O-CB 3.32Å; K335-T339 PolarHBondContact O-N 2.84Å; K335-T339 PolarHBondContact O-OG1 3.18Å; K335-F340 HydrophobicContact CG-CE2 4.11Å
336I94.1Very high93.1Very high13 Ų1340.2 Ų40.27%0.06721%0.212CC..Iπ-helixtrans-60-54176.2-60-51.1000110.5L251 Q332 V333 F340 V341 P379 L383 P403L251-I336 HydrophobicContact CD1-CB 4.37Å; L251-I336 HydrophobicContact CD1-CG2 3.83Å; Q332-I336 WeakPolarHBondContact O-CG1 3.04Å; Q332-I336 PolarHBondContact O-N 3.35Å; V333-I336 PolarHBondContact O-N 3.23Å; I336-F340 HydrophobicContact CD1-CD2 3.64Å; I336-F340 HydrophobicContact CD1-CE2 4.02Å; I336-F340 CarbonylContact O-C 3.58Å; I336-F340 WeakPolarHBondContact O-CA 3.17Å; I336-F340 WeakPolarHBondContact O-CB 3.39Å; I336-F340 PolarHBondContact O-N 3.37Å; I336-V341 HydrophobicContact CG2-CG2 4.36Å; I336-V341 PolarHBondContact O-N 3.2Å; I336-V341 VanDerWaalsContact O-N 3.13Å; I336-P379 HydrophobicContact CD1-CG 3.9Å; I336-L383 HydrophobicContact CB-CD2 4.26Å; I336-L383 HydrophobicContact CG1-CB 4.35Å; I336-L383 HydrophobicContact CG1-CD2 3.85Å; I336-P403 HydrophobicContact CD1-CG 4.25Å; I336-P403 HydrophobicContact CG2-CG 3.71Å
337K94.6Very high93Very high36 Ų3640.3 Ų40.316%0.15721%0.214CC..Iπ-helixtrans-59.7-58.9-179.1-169.3-164-177.1-40.90111.9S248 L251 M255 V333 H334 V341 D342S248-K337 VanDerWaalsContact O-CE 3.26Å; S248-K337 WeakPolarHBondContact O-CE 3.45Å; S248-K337 PolarHBondContact OG-NZ 3.43Å; L251-K337 HydrophobicContact CB-CB 3.84Å; L251-K337 HydrophobicContact CB-CD 4.19Å; L251-K337 HydrophobicContact CB-CG 3.92Å; L251-K337 HydrophobicContact CD1-CB 3.82Å; L251-K337 HydrophobicContact CD1-CG 4.32Å; L251-K337 HydrophobicContact CG-CB 4.47Å; M255-K337 HydrophobicContact SD-CB 4.36Å; M255-K337 HydrophobicContact SD-CD 3.63Å; V333-K337 WeakPolarHBondContact O-CB 3.22Å; V333-K337 PolarHBondContact O-N 2.96Å; H334-K337 PolarHBondContact O-N 2.8Å; K337-V341 WeakPolarHBondContact O-CB 3.24Å; K337-V341 PolarHBondContact O-N 2.88Å; K337-D342 IonicContact NZ-OD1 3.07Å; K337-D342 PolarHBondContact NZ-OD1 2.74Å; K337-D342 IonicContact NZ-OD2 3.31Å; K337-D342 PolarHBondContact NZ-OD2 2.68Å; K337-D342 WeakPolarHBondContact O-CB 3.48Å; K337-D342 PolarHBondContact O-N 3.32Å
338S94.6Very high92.6Very high50 Ų5041.8 Ų41.835%0.3522%0.222SC..Iπ-helixtrans-66.6-44.7-171.2173.50000112.3H334 G343H334-S338 WeakPolarHBondContact O-CB 3.12Å; H334-S338 PolarHBondContact O-N 2.74Å; S338-G343 PolarHBondContact O-N 3.47Å
339T92.4Very high91.5Very high52 Ų5247 Ų4732%0.31924%0.243SC..Iπ-helixtrans-90.6-46.1-174.2-54.30000112.6K335K335-T339 WeakPolarHBondContact CD-OG1 3.43Å; K335-T339 WeakPolarHBondContact CE-OG1 2.98Å; K335-T339 PolarHBondContact NZ-OG1 2.75Å; K335-T339 VanDerWaalsContact O-CB 3.29Å; K335-T339 WeakPolarHBondContact O-CB 3.32Å; K335-T339 PolarHBondContact O-N 2.84Å; K335-T339 PolarHBondContact O-OG1 3.18Å
340F93.4Very high90.2Very high17 Ų1747.6 Ų47.68%0.07525%0.253CS..Iπ-helixtrans-102.8-1-167.7-50.6-50.9000113.8K335 I336 I344 A377 L378 P379 P403K335-F340 HydrophobicContact CG-CE2 4.11Å; I336-F340 HydrophobicContact CD1-CD2 3.64Å; I336-F340 HydrophobicContact CD1-CE2 4.02Å; I336-F340 CarbonylContact O-C 3.58Å; I336-F340 WeakPolarHBondContact O-CA 3.17Å; I336-F340 WeakPolarHBondContact O-CB 3.39Å; I336-F340 PolarHBondContact O-N 3.37Å; F340-I344 WeakPolarHBondContact O-CD1 3.5Å; F340-I344 WeakPolarHBondContact O-CG1 3.48Å; F340-A377 HydrophobicContact CE1-CB 4.25Å; F340-A377 VanDerWaalsContact CE1-O 3.24Å; F340-A377 WeakPolarHBondContact CE1-O 3.29Å; F340-A377 WeakPolarHBondContact CZ-O 3.23Å; F340-L378 HydrophobicContact CB-CD2 4.21Å; F340-L378 HydrophobicContact CD1-CD2 3.82Å; F340-L378 HydrophobicContact CG-CD2 4.22Å; F340-P379 HydrophobicContact CD2-CG 3.96Å; F340-P379 HydrophobicContact CE2-CG 4.06Å; F340-P403 HydrophobicContact CB-CB 3.94Å; F340-P403 HydrophobicContact CB-CG 4.2Å
341V93.4Very high89.1Confident1 Ų155.7 Ų55.71%0.00629%0.288CS..Iπ-helixtrans-120.9-67.5172-177.70000109.5L244 T247 L251 I336 K337 G343 I344 L345L244-V341 HydrophobicContact CB-CG1 4.4Å; L244-V341 HydrophobicContact CD2-CB 4.37Å; L244-V341 HydrophobicContact CD2-CG1 3.89Å; L244-V341 WeakPolarHBondContact O-CG1 3.46Å; T247-V341 HydrophobicContact CG2-CG2 4.09Å; L251-V341 HydrophobicContact CD1-CG2 4.08Å; I336-V341 HydrophobicContact CG2-CG2 4.36Å; I336-V341 PolarHBondContact O-N 3.2Å; I336-V341 VanDerWaalsContact O-N 3.13Å; K337-V341 WeakPolarHBondContact O-CB 3.24Å; K337-V341 PolarHBondContact O-N 2.88Å; V341-G343 PolarHBondContact O-N 3.26Å; V341-I344 PolarHBondContact O-N 3.21Å; V341-I344 VanDerWaalsContact O-N 3.16Å; V341-L345 HydrophobicContact CG1-CD1 4.48Å; V341-L345 WeakPolarHBondContact O-CG 3.43Å; V341-L345 PolarHBondContact O-N 2.92Å
342D93.8Very high88.8Confident52 Ų5254.8 Ų54.828%0.27829%0.289SS..Iπ-helixtrans-65.5-42.2-178.2-63.1-17.3000112.1S248 K337 I344 L345 S346S248-D342 WeakPolarHBondContact CB-OD1 3.22Å; S248-D342 PolarHBondContact OG-OD1 2.79Å; K337-D342 IonicContact NZ-OD1 3.07Å; K337-D342 PolarHBondContact NZ-OD1 2.74Å; K337-D342 IonicContact NZ-OD2 3.31Å; K337-D342 PolarHBondContact NZ-OD2 2.68Å; K337-D342 WeakPolarHBondContact O-CB 3.48Å; K337-D342 PolarHBondContact O-N 3.32Å; D342-I344 VanDerWaalsContact C-N 3.25Å; D342-I344 PolarHBondContact O-N 3.01Å; D342-L345 WeakPolarHBondContact O-CB 3.49Å; D342-L345 PolarHBondContact O-N 3.03Å; D342-S346 PolarHBondContact O-N 3.35Å
343G92.3Very high88.8Confident21 Ų2153.7 Ų53.722%0.21628%0.28CS..Hα-helixtrans-64.4-28.9175.300000113.4S338 V341 S346 C347S338-G343 PolarHBondContact O-N 3.47Å; V341-G343 PolarHBondContact O-N 3.26Å; G343-S346 PolarHBondContact O-OG 3.44Å; G343-C347 PolarHBondContact O-N 3.44Å; G343-C347 PolarHBondContact O-SG 2.9Å
344I91.8Very high88.6Confident3 Ų353.7 Ų53.72%0.01528%0.281CS..Hα-helixtrans-75.1-45.5173.3-62-170.6000109.8V239 L244 F340 V341 D342 S346 C347 M348 I354 L378 F407V239-I344 HydrophobicContact CG1-CG2 4.47Å; L244-I344 HydrophobicContact CD1-CG2 4.03Å; F340-I344 WeakPolarHBondContact O-CD1 3.5Å; F340-I344 WeakPolarHBondContact O-CG1 3.48Å; V341-I344 PolarHBondContact O-N 3.21Å; V341-I344 VanDerWaalsContact O-N 3.16Å; D342-I344 VanDerWaalsContact C-N 3.25Å; D342-I344 PolarHBondContact O-N 3.01Å; I344-S346 PolarHBondContact O-N 3.45Å; I344-C347 PolarHBondContact O-N 3.05Å; I344-M348 WeakPolarHBondContact O-CG 3.38Å; I344-M348 PolarHBondContact O-N 3.29Å; I344-I354 HydrophobicContact CG2-CD1 3.72Å; I344-L378 HydrophobicContact CD1-CD2 4.06Å; I344-F407 HydrophobicContact CD1-CE2 4.16Å; I344-F407 HydrophobicContact CD1-CZ 3.74Å
345L91.1Very high88.4Confident40 Ų4050.7 Ų50.721%0.20927%0.267CS..Hα-helixtrans-54.2-39.7175.7-76.3170.6000112.1K241 L244 V341 D342 C347 M348K241-L345 HydrophobicContact CG-CD2 4.05Å; L244-L345 HydrophobicContact CB-CD1 4.27Å; L244-L345 HydrophobicContact CB-CD2 3.74Å; L244-L345 HydrophobicContact CB-CG 4.01Å; L244-L345 HydrophobicContact CD1-CD2 3.73Å; L244-L345 HydrophobicContact CD1-CG 4Å; L244-L345 HydrophobicContact CG-CD2 4.41Å; V341-L345 HydrophobicContact CG1-CD1 4.48Å; V341-L345 WeakPolarHBondContact O-CG 3.43Å; V341-L345 PolarHBondContact O-N 2.92Å; D342-L345 WeakPolarHBondContact O-CB 3.49Å; D342-L345 PolarHBondContact O-N 3.03Å; L345-C347 VanDerWaalsContact C-N 3.33Å; L345-C347 PolarHBondContact O-N 3.47Å; L345-M348 HydrophobicContact CD2-SD 3.86Å; L345-M348 WeakPolarHBondContact O-CG 3.37Å; L345-M348 PolarHBondContact O-N 2.82Å
346S91.1Very high88.4Confident96 Ų9645.9 Ų45.967%0.67125%0.246SC*.Hα-helixtrans-73.4-21.4178.669.40000114.2D342 G343 I344D342-S346 PolarHBondContact O-N 3.35Å; G343-S346 PolarHBondContact O-OG 3.44Å; I344-S346 PolarHBondContact O-N 3.45Å
347C89.6Confident88.3Confident24 Ų2446.7 Ų46.716%0.16225%0.252CS..THydrogen-bonded Turntrans-89.2-1.1178.6-670000113.4G343 I344 L345 K349 I354 P373G343-C347 PolarHBondContact O-N 3.44Å; G343-C347 PolarHBondContact O-SG 2.9Å; I344-C347 PolarHBondContact O-N 3.05Å; L345-C347 VanDerWaalsContact C-N 3.33Å; L345-C347 PolarHBondContact O-N 3.47Å; C347-K349 PolarHBondContact O-N 2.82Å; C347-I354 HydrophobicContact CB-CD1 3.68Å; C347-I354 HydrophobicContact CB-CG1 4.27Å; C347-P373 HydrophobicContact CB-CB 4.49Å
348M86.3Confident88.3Confident31 Ų3145 Ų4515%0.15325%0.245CC..  trans-70.8114.7-179.3-61.8-177.874.700111K241 I344 L345 K351 N352K241-M348 HydrophobicContact CB-CE 4.08Å; K241-M348 HydrophobicContact CD-CE 4.18Å; K241-M348 HydrophobicContact CD-SD 4.3Å; K241-M348 HydrophobicContact CG-CE 4.29Å; K241-M348 HydrophobicContact CG-SD 4.23Å; I344-M348 WeakPolarHBondContact O-CG 3.38Å; I344-M348 PolarHBondContact O-N 3.29Å; L345-M348 HydrophobicContact CD2-SD 3.86Å; L345-M348 WeakPolarHBondContact O-CG 3.37Å; L345-M348 PolarHBondContact O-N 2.82Å; M348-K351 VanDerWaalsContact CE-O 3.27Å; M348-K351 WeakPolarHBondContact CE-O 3.47Å; M348-N352 VanDerWaalsContact CE-CA 3.44Å
349K66.8Low88.2Confident143 Ų14345.4 Ų45.462%0.62224%0.241SC*.SBendtrans-81-28.6-177.9-64.8179.6-177.6171.20113.2C347 Y353C347-K349 PolarHBondContact O-N 2.82Å; K349-Y353 PolarHBondContact N-O 3.34Å
350S66.6Low88.2Confident65 Ų6543.6 Ų43.646%0.45523%0.229SC..BIsolated β-bridgetrans-141.2169.6176.8680000109.6N352 Y353S350-N352 PolarHBondContact O-N 3.35Å; S350-Y353 PolarHBondContact O-N 3.3Å
351K71.4Confident88.1Confident185 Ų18543.4 Ų43.480%0.80423%0.229SC*.THydrogen-bonded Turntrans-42.8-39.6-161.9-78-176179.5177.50114.8K241 M348K241-K351 WeakPolarHBondContact CD-O 3.2Å; M348-K351 VanDerWaalsContact CE-O 3.27Å; M348-K351 WeakPolarHBondContact CE-O 3.47Å
352N87.8Confident87.8Confident48 Ų4845.3 Ų45.326%0.25724%0.243SC..THydrogen-bonded Turntrans-138.320.6-179.5-65.7-25000115.5Y238 V239 K241 M348 S350Y238-N352 WeakPolarHBondContact CA-O 3.44Å; Y238-N352 HydrophobicContact CD2-CB 3.83Å; Y238-N352 HydrophobicContact CE2-CB 3.35Å; Y238-N352 PolarHBondContact OH-ND2 3.18Å; V239-N352 PolarHBondContact N-O 3.21Å; K241-N352 WeakPolarHBondContact CB-OD1 3.4Å; M348-N352 VanDerWaalsContact CE-CA 3.44Å; S350-N352 PolarHBondContact O-N 3.35Å
353Y90.2Very high87.5Confident79 Ų7943.9 Ų43.931%0.3124%0.238SC..EExtended strand (participates in β ladder)trans-125.9145.6-175.6-68.1-83.6000113.7C236 I237 Y238 K349 S350C236-Y353 HydrophobicContact CB-CD1 4.01Å; C236-Y353 HydrophobicContact CB-CG 4.28Å; I237-Y353 WeakPolarHBondContact O-CA 3.16Å; Y238-Y353 HydrophobicContact CD2-CD1 4.48Å; Y238-Y353 AromaticContact CD2-CE1 3.97Å; Y238-Y353 HydrophobicContact CD2-CE1 3.97Å; Y238-Y353 HydrophobicContact CD2-CE2 4.29Å; Y238-Y353 AromaticContact CD2-CZ 3.85Å; Y238-Y353 HydrophobicContact CG-CE1 4.38Å; K349-Y353 PolarHBondContact N-O 3.34Å; S350-Y353 PolarHBondContact O-N 3.3Å
354I91.4Very high87.3Confident1 Ų145 Ų451%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-135.4150.3-179.7-165.3160000111.2C236 I237 V239 I344 C347 P373 F375 F407C236-I354 CarbonylContact C-O 3.21Å; C236-I354 WeakPolarHBondContact CA-O 3.27Å; C236-I354 WeakPolarHBondContact CB-O 3.4Å; I237-I354 HydrophobicContact CB-CG2 4.26Å; I237-I354 PolarHBondContact N-O 3.15Å; I237-I354 PolarHBondContact O-N 3.3Å; V239-I354 HydrophobicContact CG2-CB 4.36Å; V239-I354 HydrophobicContact CG2-CG2 3.47Å; V239-I354 VanDerWaalsContact CG2-CG2 3.47Å; I344-I354 HydrophobicContact CG2-CD1 3.72Å; C347-I354 HydrophobicContact CB-CD1 3.68Å; C347-I354 HydrophobicContact CB-CG1 4.27Å; I354-P373 HydrophobicContact CD1-CB 4.31Å; I354-P373 HydrophobicContact CD1-CG 3.5Å; I354-P373 HydrophobicContact CG1-CG 3.98Å; I354-F375 HydrophobicContact CG1-CZ 4.34Å; I354-F375 HydrophobicContact CG2-CE1 4.37Å; I354-F375 HydrophobicContact CG2-CZ 3.77Å; I354-F407 HydrophobicContact CG2-CE1 4.28Å
355S91.1Very high87Confident5 Ų545.8 Ų45.84%0.03525%0.245CC..  trans-149.9127.5174.8179.80000108.8E233 H235E233-S355 PolarHBondContact O-OG 2.95Å; H235-S355 VanDerWaalsContact O-CB 3.27Å; H235-S355 WeakPolarHBondContact O-CB 3.08Å; H235-S355 PolarHBondContact O-OG 3.04Å
356S92.5Very high86.8Confident1 Ų143.9 Ų43.91%0.00724%0.235CC..PPolyproline II helixtrans-75.7148.7176.5-69.40000111.2P373 F375S356-P373 WeakPolarHBondContact CB-O 3.36Å; S356-P373 WeakPolarHBondContact OG-CD 2.91Å; S356-P373 PolarHBondContact OG-O 2.85Å; S356-F375 WeakPolarHBondContact OG-CD2 3.42Å; S356-F375 WeakPolarHBondContact OG-CE2 3.38Å
357T92.3Very high86.8Confident30 Ų3041.6 Ų41.618%0.18421%0.212CC..EExtended strand (participates in β ladder)trans-87.2128163.3-54.20000109E233 A370 K371E233-T357 WeakPolarHBondContact OE1-CA 3.35Å; T357-A370 CarbonylContact O-C 3.43Å; T357-A370 WeakPolarHBondContact O-CA 3.49Å; T357-K371 PolarHBondContact N-O 3.29Å; T357-K371 PolarHBondContact O-N 2.99Å
358W94.7Very high86.9Confident2 Ų240.7 Ų40.71%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-102.9131.5-179-60.896.7000111.1K116 L229 M232 E233 I368 S369 A370 F375 Q376 A596 Q597K116-W358 PolarHBondContact NZ-O 3.48Å; L229-W358 HydrophobicContact CD2-CB 3.86Å; L229-W358 HydrophobicContact CD2-CG 4.2Å; M232-W358 HydrophobicContact CE-CD2 4.15Å; M232-W358 HydrophobicContact CE-CH2 4.23Å; M232-W358 HydrophobicContact CE-CZ2 3.69Å; E233-W358 PolarHBondContact OE1-N 3.3Å; W358-I368 HydrophobicContact CB-CG2 3.98Å; W358-I368 HydrophobicContact CD2-CG2 4.45Å; W358-I368 HydrophobicContact CE3-CG2 3.74Å; W358-S369 CarbonylContact C-O 3.54Å; W358-S369 WeakPolarHBondContact CA-O 3.46Å; W358-A370 HydrophobicContact CD2-CB 4.39Å; W358-A370 HydrophobicContact CE3-CB 3.85Å; W358-A370 HydrophobicContact CH2-CB 4.1Å; W358-A370 HydrophobicContact CZ3-CB 3.73Å; W358-F375 HydrophobicContact CZ2-CD2 4.46Å; W358-Q376 HydrophobicContact CZ3-CG 4.23Å; W358-A596 HydrophobicContact CH2-CB 4Å; W358-A596 HydrophobicContact CZ2-CB 3.94Å; W358-Q597 WeakPolarHBondContact CH2-O 3.48Å
359H92.6Very high87.2Confident58 Ų5840.6 Ų40.627%0.26921%0.208SC..EExtended strand (participates in β ladder)trans-116.3115.8179-60.8-79.1000110.1S362 I368 S369H359-S362 PolarHBondContact O-OG 2.97Å; H359-I368 WeakPolarHBondContact O-CA 3.34Å; H359-S369 PolarHBondContact N-O 3.34Å; H359-S369 PolarHBondContact O-N 3.46Å
360Q92.5Very high88.4Confident13 Ų1333.9 Ų33.96%0.06118%0.179CC..SBendtrans-81.4-30.8179.3-169.6174.6-10.300112.7E222 L229E222-Q360 PolarHBondContact O-NE2 2.81Å; E222-Q360 PolarHBondContact OE2-NE2 2.98Å; L229-Q360 HydrophobicContact CD1-CB 3.77Å; L229-Q360 HydrophobicContact CD1-CG 4.24Å
361T90.9Very high89.6Confident14 Ų1435.9 Ų35.99%0.08618%0.179CC..SBendtrans-978.4-173.255.10000113.9V145 W148 P155V145-T361 HydrophobicContact CG2-CG2 4.09Å; W148-T361 HydrophobicContact CB-CG2 3.72Å; W148-T361 HydrophobicContact CD2-CG2 4.06Å; W148-T361 HydrophobicContact CE3-CG2 4.28Å; W148-T361 HydrophobicContact CG-CG2 3.82Å; W148-T361 PolarHBondContact NE1-O 2.76Å; W148-T361 VanDerWaalsContact NE1-O 3.16Å; P155-T361 WeakPolarHBondContact CB-O 2.97Å
362S86.7Confident90.3Very high41 Ų4133.2 Ų33.229%0.28717%0.17SC..SBendtrans-84.8-30.5-171.556.90000115.2H359 S369H359-S362 PolarHBondContact O-OG 2.97Å; S362-S369 WeakPolarHBondContact CB-OG 3.27Å; S362-S369 VanDerWaalsContact OG-CB 3.29Å; S362-S369 WeakPolarHBondContact OG-CB 3.33Å; S362-S369 PolarHBondContact OG-OG 2.95Å
363A88.3Confident90.4Very high22 Ų2231.6 Ų31.618%0.18216%0.162CC..  trans-103139-173.300000109.5W148 T365 R367W148-A363 VanDerWaalsContact CZ2-O 3.31Å; W148-A363 WeakPolarHBondContact CZ2-O 3.48Å; W148-A363 PolarHBondContact NE1-O 3.49Å; A363-T365 WeakPolarHBondContact CB-OG1 3.43Å; A363-T365 PolarHBondContact O-N 3.08Å; A363-R367 HydrophobicContact CB-CB 4.15Å; A363-R367 VanDerWaalsContact CB-O 3.32Å; A363-R367 WeakPolarHBondContact CB-O 3.44Å
364V87.1Confident90.5Very high44 Ų4431.4 Ų31.427%0.26717%0.166SC..THydrogen-bonded Turntrans-70.915.7-175.6-51.40000115.4P152 R538P152-V364 WeakPolarHBondContact O-CG1 3.32Å; V364-R538 VanDerWaalsContact CB-NH1 3.29Å; V364-R538 VanDerWaalsContact O-CD 3.29Å; V364-R538 WeakPolarHBondContact O-CD 3.46Å
365T86Confident90.3Very high19 Ų1931.5 Ų31.512%0.11717%0.167CC..THydrogen-bonded Turn-150.8-15-129.4105.20000108.5A363 P566 G567A363-T365 WeakPolarHBondContact CB-OG1 3.43Å; A363-T365 PolarHBondContact O-N 3.08Å; T365-P566 HydrophobicContact CG2-CG 3.96Å; T365-P566 CarbonylContact O-C 3.59Å; T365-P566 WeakPolarHBondContact O-CB 3.49Å; T365-P566 WeakPolarHBondContact O-CD 3.29Å; T365-P566 WeakPolarHBondContact OG1-CD 3.46Å; T365-P566 WeakPolarHBondContact OG1-CG 3.23Å; T365-G567 PolarHBondContact O-N 3.49Å
366G88.1Confident90.3Very high0 Ų032.5 Ų32.50%017%0.171CC..SBendtrans95.2-18.517800000113.7K574G366-K574 WeakPolarHBondContact O-CE 3.43Å; G366-K574 PolarHBondContact O-NZ 3.01Å
367R89.8Confident90.1Very high49 Ų4934.8 Ų34.819%0.18519%0.189CC..  trans-64.2140.9177-92.6175.2-163.7158.512.2112.1A363 E424 D565 P566 A570A363-R367 HydrophobicContact CB-CB 4.15Å; A363-R367 VanDerWaalsContact CB-O 3.32Å; A363-R367 WeakPolarHBondContact CB-O 3.44Å; R367-E424 IonicContact NH2-OE1 3.49Å; R367-D565 IonicContact CZ-OD1 2.68Å; R367-D565 IonicContact NE-OD1 2.71Å; R367-D565 IonicContact NH1-OD1 2.72Å; R367-D565 PolarHBondContact NH1-OD1 2.88Å; R367-D565 IonicContact NH2-OD1 3.03Å; R367-D565 PolarHBondContact NH2-OD1 3.34Å; R367-P566 HydrophobicContact CB-CB 4.26Å; R367-P566 HydrophobicContact CB-CG 4.08Å; R367-P566 HydrophobicContact CG-CB 3.45Å; R367-P566 VanDerWaalsContact CG-CB 3.45Å; R367-P566 HydrophobicContact CG-CG 3.53Å; R367-P566 VanDerWaalsContact NE-CG 3.27Å; R367-A570 HydrophobicContact CG-CB 4.08Å
368I92.1Very high90Very high5 Ų533.7 Ų33.73%0.02618%0.183CC..  trans-76.8142.2164.7-56.3155.4000107.2M225 L229 W358 H359 Q376 K574 M577M225-I368 HydrophobicContact CE-CD1 3.58Å; L229-I368 HydrophobicContact CD1-CG2 4.3Å; L229-I368 HydrophobicContact CD2-CD1 3.92Å; L229-I368 HydrophobicContact CD2-CG2 4.05Å; W358-I368 HydrophobicContact CB-CG2 3.98Å; W358-I368 HydrophobicContact CD2-CG2 4.45Å; W358-I368 HydrophobicContact CE3-CG2 3.74Å; H359-I368 WeakPolarHBondContact O-CA 3.34Å; I368-Q376 PolarHBondContact O-NE2 3.11Å; I368-Q376 PolarHBondContact O-OE1 3.34Å; I368-K574 HydrophobicContact CD1-CG 4.28Å; I368-M577 HydrophobicContact CD1-CE 4.16Å; I368-M577 HydrophobicContact CD1-SD 4.25Å
369S91.9Very high89.6Confident28 Ų2835 Ų3520%0.19619%0.191CC..EExtended strand (participates in β ladder)trans-112.8150.3170.474.20000112.1W358 H359 S362W358-S369 CarbonylContact C-O 3.54Å; W358-S369 WeakPolarHBondContact CA-O 3.46Å; H359-S369 PolarHBondContact N-O 3.34Å; H359-S369 PolarHBondContact O-N 3.46Å; S362-S369 WeakPolarHBondContact CB-OG 3.27Å; S362-S369 VanDerWaalsContact OG-CB 3.29Å; S362-S369 WeakPolarHBondContact OG-CB 3.33Å; S362-S369 PolarHBondContact OG-OG 2.95Å
370A92.6Very high89.2Confident3 Ų338.2 Ų38.23%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-109.2143.1176.100000112.2T357 W358 N374 Q376T357-A370 CarbonylContact O-C 3.43Å; T357-A370 WeakPolarHBondContact O-CA 3.49Å; W358-A370 HydrophobicContact CD2-CB 4.39Å; W358-A370 HydrophobicContact CE3-CB 3.85Å; W358-A370 HydrophobicContact CH2-CB 4.1Å; W358-A370 HydrophobicContact CZ3-CB 3.73Å; A370-N374 WeakPolarHBondContact O-CB 3.36Å; A370-Q376 HydrophobicContact CB-CG 4.32Å
371K91Very high88.8Confident106 Ų10645 Ų4546%0.46123%0.233SC..EExtended strand (participates in β ladder)trans-135.6153.5171.7-66.3-173.1-175170.30111.4T357 P373T357-K371 PolarHBondContact N-O 3.29Å; T357-K371 PolarHBondContact O-N 2.99Å; K371-P373 VanDerWaalsContact C-C 3.48Å; K371-P373 CarbonylContact C-O 3.51Å
372H87.5Confident88.7Confident130 Ų13047 Ų4760%0.60225%0.246SC*.SBendtrans50.159.7173.6-53.9106.7000115.4
373P90.2Very high88.8Confident14 Ų1445.3 Ų45.39%0.09123%0.234CC..SBendcis-97.7172.23.739.6-37.9000111.8C347 I354 S356 K371 F375C347-P373 HydrophobicContact CB-CB 4.49Å; I354-P373 HydrophobicContact CD1-CB 4.31Å; I354-P373 HydrophobicContact CD1-CG 3.5Å; I354-P373 HydrophobicContact CG1-CG 3.98Å; S356-P373 WeakPolarHBondContact CB-O 3.36Å; S356-P373 WeakPolarHBondContact OG-CD 2.91Å; S356-P373 PolarHBondContact OG-O 2.85Å; K371-P373 VanDerWaalsContact C-C 3.48Å; K371-P373 CarbonylContact C-O 3.51Å; P373-F375 HydrophobicContact CB-CE1 4.47Å; P373-F375 HydrophobicContact CG-CD1 3.76Å; P373-F375 HydrophobicContact CG-CE1 3.25Å; P373-F375 HydrophobicContact CG-CE2 4.32Å; P373-F375 HydrophobicContact CG-CG 4.45Å; P373-F375 HydrophobicContact CG-CZ 3.56Å; P373-F375 PolarHBondContact O-N 3.33Å
374N91.4Very high88.8Confident75 Ų7550.6 Ų50.640%0.40126%0.255SS..  trans-89.390.8171.6-177.2-2.3000110.3A370 Q376 A377A370-N374 WeakPolarHBondContact O-CB 3.36Å; N374-Q376 PolarHBondContact O-N 3.14Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.22Å; N374-Q376 PolarHBondContact OD1-N 2.89Å; N374-Q376 VanDerWaalsContact OD1-N 3.14Å; N374-A377 HydrophobicContact CB-CB 4.4Å; N374-A377 PolarHBondContact O-N 3.3Å; N374-A377 PolarHBondContact OD1-N 3.45Å
375F87.6Confident88.8Confident3 Ų348.7 Ų48.71%0.01324%0.243CC..G310 helixtrans-63.2-28.7178.1-70-38.7000113.7I237 I354 S356 W358 P373 A377 L378 F407 A596 L598 W649I237-F375 HydrophobicContact CD1-CD2 4.28Å; I237-F375 HydrophobicContact CD1-CE2 3.72Å; I237-F375 HydrophobicContact CD1-CZ 4.02Å; I354-F375 HydrophobicContact CG1-CZ 4.34Å; I354-F375 HydrophobicContact CG2-CE1 4.37Å; I354-F375 HydrophobicContact CG2-CZ 3.77Å; S356-F375 WeakPolarHBondContact OG-CD2 3.42Å; S356-F375 WeakPolarHBondContact OG-CE2 3.38Å; W358-F375 HydrophobicContact CZ2-CD2 4.46Å; P373-F375 HydrophobicContact CB-CE1 4.47Å; P373-F375 HydrophobicContact CG-CD1 3.76Å; P373-F375 HydrophobicContact CG-CE1 3.25Å; P373-F375 HydrophobicContact CG-CE2 4.32Å; P373-F375 HydrophobicContact CG-CG 4.45Å; P373-F375 HydrophobicContact CG-CZ 3.56Å; P373-F375 PolarHBondContact O-N 3.33Å; F375-A377 PolarHBondContact O-N 3.41Å; F375-L378 HydrophobicContact CB-CD1 4.41Å; F375-L378 HydrophobicContact CD1-CD1 3.74Å; F375-L378 WeakPolarHBondContact O-CB 3.36Å; F375-L378 PolarHBondContact O-N 3.16Å; F375-L378 VanDerWaalsContact O-N 3.1Å; F375-F407 HydrophobicContact CD1-CE1 4.26Å; F375-F407 HydrophobicContact CD1-CZ 4.18Å; F375-F407 AromaticContact CE1-CE1 3.49Å; F375-F407 HydrophobicContact CE1-CE1 3.49Å; F375-F407 VanDerWaalsContact CE1-CE1 3.49Å; F375-F407 AromaticContact CE1-CZ 3.74Å; F375-F407 HydrophobicContact CE1-CZ 3.74Å; F375-F407 HydrophobicContact CZ-CE1 4.14Å; F375-A596 HydrophobicContact CD2-CB 4.37Å; F375-L598 VanDerWaalsContact O-CD2 3.32Å; F375-L598 WeakPolarHBondContact O-CD2 3.33Å; F375-W649 HydrophobicContact CB-CH2 4.26Å; F375-W649 HydrophobicContact CD1-CZ3 4.36Å
376Q90.3Very high88.7Confident26 Ų2649.8 Ų49.812%0.12125%0.252CS..G310 helixtrans-64.7-23.3179.2-59.2173.2-46.800112.2W358 I368 A370 N374 Q597W358-Q376 HydrophobicContact CZ3-CG 4.23Å; I368-Q376 PolarHBondContact O-NE2 3.11Å; I368-Q376 PolarHBondContact O-OE1 3.34Å; A370-Q376 HydrophobicContact CB-CG 4.32Å; N374-Q376 PolarHBondContact O-N 3.14Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.22Å; N374-Q376 PolarHBondContact OD1-N 2.89Å; N374-Q376 VanDerWaalsContact OD1-N 3.14Å; Q376-Q597 WeakPolarHBondContact CG-O 3.37Å
377A89.3Confident87.8Confident48 Ų4853.4 Ų53.440%0.39727%0.269SS..G310 helixtrans-89.6-1.6178.900000113.8F340 N374 F375F340-A377 HydrophobicContact CE1-CB 4.25Å; F340-A377 VanDerWaalsContact CE1-O 3.24Å; F340-A377 WeakPolarHBondContact CE1-O 3.29Å; F340-A377 WeakPolarHBondContact CZ-O 3.23Å; N374-A377 HydrophobicContact CB-CB 4.4Å; N374-A377 PolarHBondContact O-N 3.3Å; N374-A377 PolarHBondContact OD1-N 3.45Å; F375-A377 PolarHBondContact O-N 3.41Å
378L88.6Confident86.5Confident8 Ų856.6 Ų56.64%0.04228%0.284CS..SBendtrans-64.2128.2-179.8-77.2172.2000110.6F340 I344 F375 R380 P403 R404 F407 W649F340-L378 HydrophobicContact CB-CD2 4.21Å; F340-L378 HydrophobicContact CD1-CD2 3.82Å; F340-L378 HydrophobicContact CG-CD2 4.22Å; I344-L378 HydrophobicContact CD1-CD2 4.06Å; F375-L378 HydrophobicContact CB-CD1 4.41Å; F375-L378 HydrophobicContact CD1-CD1 3.74Å; F375-L378 WeakPolarHBondContact O-CB 3.36Å; F375-L378 PolarHBondContact O-N 3.16Å; F375-L378 VanDerWaalsContact O-N 3.1Å; L378-R380 PolarHBondContact O-N 3.15Å; L378-P403 HydrophobicContact CD2-CB 4.48Å; L378-R404 HydrophobicContact CB-CG 4.44Å; L378-R404 PolarHBondContact O-NH2 3.07Å; L378-R404 VanDerWaalsContact O-NH2 3.1Å; L378-F407 HydrophobicContact CD1-CE2 3.77Å; L378-F407 HydrophobicContact CD1-CZ 3.79Å; L378-F407 HydrophobicContact CD2-CE2 4.4Å; L378-W649 HydrophobicContact CD1-CE3 4.22Å; L378-W649 HydrophobicContact CD1-CH2 3.73Å; L378-W649 HydrophobicContact CD1-CZ3 3.45Å; L378-W649 VanDerWaalsContact CD1-CZ3 3.45Å
379P86.8Confident84.9Confident30 Ų3059.4 Ų59.420%0.19530%0.297CS..  trans-62.5138.9-176.827.1-33.4000110I336 F340 H402 P403 R404I336-P379 HydrophobicContact CD1-CG 3.9Å; F340-P379 HydrophobicContact CD2-CG 3.96Å; F340-P379 HydrophobicContact CE2-CG 4.06Å; P379-H402 PolarHBondContact O-CE1 2.86Å; P379-P403 HydrophobicContact CG-CB 4.36Å; P379-P403 HydrophobicContact CG-CG 3.79Å; P379-R404 PolarHBondContact O-NE 3.27Å; P379-R404 VanDerWaalsContact O-NE 3.14Å
380R84.3Confident83.1Confident124 Ų12466.3 Ų66.347%0.46833%0.331SS..SBendtrans-79.7-30.6172.3-78.2-175167.2169.1-2.5112.2L378 H402 D419 D600 E601L378-R380 PolarHBondContact O-N 3.15Å; R380-H402 PolarHBondContact O-NE2 3Å; R380-D419 IonicContact NH2-OD1 3.81Å; R380-D419 PolarHBondContact NH2-OD1 3.09Å; R380-D600 IonicContact NH2-OD1 3.3Å; R380-E601 IonicContact CZ-OE2 3.83Å; R380-E601 IonicContact NE-OE2 3.21Å; R380-E601 PolarHBondContact NE-OE2 3.48Å; R380-E601 IonicContact NH2-OE2 3.01Å; R380-E601 PolarHBondContact NH2-OE2 3.12Å
381Q84.3Confident81.2Confident155 Ų15571 Ų7172%0.72436%0.355SS*.SBendtrans-94.8141.4-179.4-70.1-179.6-27.400111.1
382P88.1Confident79Confident58 Ų5875.6 Ų75.638%0.37738%0.378SS..PPolyproline II helixtrans-70.6155.3173.531.1-35.2000111.2T400 H402P382-T400 HydrophobicContact CB-CG2 3.55Å; P382-T400 HydrophobicContact CG-CG2 4Å; P382-H402 HydrophobicContact CB-CB 4.06Å
383L89.5Confident77.4Confident5 Ų573.6 Ų73.63%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-93.3127.3169.9170.666000108.7L251 Q332 V333 I336 I385 I401L251-L383 HydrophobicContact CD2-CD2 3.95Å; Q332-L383 VanDerWaalsContact CD-CD1 3.49Å; Q332-L383 HydrophobicContact CG-CD1 3.82Å; V333-L383 HydrophobicContact CG2-CD2 4.16Å; I336-L383 HydrophobicContact CB-CD2 4.26Å; I336-L383 HydrophobicContact CG1-CB 4.35Å; I336-L383 HydrophobicContact CG1-CD2 3.85Å; L383-I385 HydrophobicContact CD1-CG2 4.27Å; L383-I385 HydrophobicContact CD2-CG2 3.87Å; L383-I385 HydrophobicContact CG-CG2 3.85Å; L383-I401 PolarHBondContact N-O 3.39Å; L383-I401 PolarHBondContact O-N 3.49Å
384Q88.6Confident75.6Confident132 Ų13279.5 Ų79.562%0.61742%0.417SS*.EExtended strand (participates in β ladder)trans-97.7132.1168-69.5178-17.200109.5V398 V399 T400Q384-V398 HydrophobicContact CB-CG1 4.03Å; Q384-V398 HydrophobicContact CG-CG1 4.27Å; Q384-V399 WeakPolarHBondContact CA-O 3.39Å; Q384-T400 HydrophobicContact CG-CG2 4.49Å
385I87.3Confident73.9Confident4 Ų484.6 Ų84.62%0.02144%0.438CS..EExtended strand (participates in β ladder)trans-126.1137173.261.5172.2000109.9L250 L251 K254 V333 L383 V399 I401L250-I385 HydrophobicContact CD1-CD1 4.3Å; L250-I385 HydrophobicContact CD2-CD1 4.1Å; L250-I385 HydrophobicContact CG-CD1 3.94Å; L251-I385 HydrophobicContact CD2-CD1 4.48Å; K254-I385 HydrophobicContact CB-CD1 4.44Å; K254-I385 HydrophobicContact CG-CG2 4.46Å; V333-I385 HydrophobicContact CG2-CG2 4.14Å; L383-I385 HydrophobicContact CD1-CG2 4.27Å; L383-I385 HydrophobicContact CD2-CG2 3.87Å; L383-I385 HydrophobicContact CG-CG2 3.85Å; I385-V399 HydrophobicContact CG1-CB 4.03Å; I385-V399 PolarHBondContact N-O 3.41Å; I385-V399 PolarHBondContact O-N 2.93Å; I385-I401 HydrophobicContact CD1-CD1 3.58Å; I385-I401 HydrophobicContact CG1-CD1 4.03Å
386S82.7Confident72.9Confident43 Ų4389.6 Ų89.630%0.30146%0.462SS..EExtended strand (participates in β ladder)trans-81.1128.5169-49.20000109.9K254K254-S386 PolarHBondContact NZ-O 3.25Å
387Q69.9Low72.3Confident76 Ų7693 Ų9336%0.35548%0.477SS..EExtended strand (participates in β ladder)trans-110.4123.9175.5-174.7171.9-8.700109.8E397 V399Q387-E397 PolarHBondContact N-O 3.49Å; Q387-E397 PolarHBondContact O-N 2.98Å; Q387-E397 VanDerWaalsContact O-N 3.08Å; Q387-V399 HydrophobicContact CB-CG2 4.24Å
388K63.5Low72Confident116 Ų11694.7 Ų94.750%0.50448%0.483SS..  trans-82.5118.6171.5-69.5-176.1176177.60108.9E396K388-E396 WeakPolarHBondContact CE-OE1 3.46Å; K388-E396 HydrophobicContact CG-CG 4.36Å
389Q58.3Low71.9Confident63 Ų6395.9 Ų95.929%0.29449%0.49SS..  trans-76133.8169.7-63.8-1692.100108.8I391 E397Q389-I391 PolarHBondContact O-N 3.23Å; Q389-E397 PolarHBondContact NE2-OE2 3.1Å
390N52.5Low72.1Confident173 Ų17398.1 Ų98.193%0.92550%0.503SS*.SBendtrans-75.534.9176.9-74-20.6000112.6
391I53.3Low72.4Confident102 Ų10292.6 Ų92.652%0.52348%0.483SS..SBendtrans-120.2121.8-179.1-55.5174.1000107.3Q389 G393Q389-I391 PolarHBondContact O-N 3.23Å; I391-G393 PolarHBondContact O-N 3.48Å
392Q44.3Very low72.8Confident203 Ų20386.1 Ų86.195%0.94945%0.453SS*.THydrogen-bonded Turntrans-57.1121.8176.5-81.4178-12.500110.2
393G54Low72.8Confident87 Ų8783.5 Ų83.590%0.89744%0.436SS*.THydrogen-bonded Turntrans985171.500000117.4I391I391-G393 PolarHBondContact O-N 3.48Å
394K52.5Low73Confident139 Ų13983.9 Ų83.960%0.60444%0.437SS*.  trans-104.6135.7171.5-77.9-172.2174.2-175.70112.2
395E56.9Low73.1Confident181 Ų18180.1 Ų80.185%0.84642%0.421SS*.PPolyproline II helixtrans-61.6160.6179.4-66.9-176.2154.800112.8E397E395-E397 PolarHBondContact O-N 2.84Å
396E65.4Low73.4Confident109 Ų10981 Ų8151%0.50943%0.425SS..PPolyproline II helixtrans-61.7122.7174.2-65.7-169.4160.600110.3K388K388-E396 WeakPolarHBondContact CE-OE1 3.46Å; K388-E396 HydrophobicContact CG-CG 4.36Å
397E78.1Confident73.9Confident97 Ų9779 Ų7945%0.45341%0.411SS..EExtended strand (participates in β ladder)trans-86.4127.5176.4-171.6177.2177.100109.4Q387 Q389 E395Q387-E397 PolarHBondContact N-O 3.49Å; Q387-E397 PolarHBondContact O-N 2.98Å; Q387-E397 VanDerWaalsContact O-N 3.08Å; Q389-E397 PolarHBondContact NE2-OE2 3.1Å; E395-E397 PolarHBondContact O-N 2.84Å
398V83.6Confident75.1Confident84 Ų8478.1 Ų78.151%0.50941%0.408SS..EExtended strand (participates in β ladder)trans-88.6112.3176-179.70000109.1Q384Q384-V398 HydrophobicContact CB-CG1 4.03Å; Q384-V398 HydrophobicContact CG-CG1 4.27Å
399V87.3Confident76.5Confident33 Ų3373 Ų7320%0.239%0.387CS..EExtended strand (participates in β ladder)trans-96.6125.9176.3-173.30000109.4L250 Q384 I385 Q387 I401L250-V399 HydrophobicContact CD2-CG1 4.08Å; Q384-V399 WeakPolarHBondContact CA-O 3.39Å; I385-V399 HydrophobicContact CG1-CB 4.03Å; I385-V399 PolarHBondContact N-O 3.41Å; I385-V399 PolarHBondContact O-N 2.93Å; Q387-V399 HydrophobicContact CB-CG2 4.24Å; V399-I401 HydrophobicContact CG1-CG1 4.21Å
400T90.1Very high78Confident76 Ų7674.3 Ų74.347%0.46639%0.389SS..EExtended strand (participates in β ladder)trans-95.8124.9175.2-59.90000109.5P382 Q384P382-T400 HydrophobicContact CB-CG2 3.55Å; P382-T400 HydrophobicContact CG-CG2 4Å; Q384-T400 HydrophobicContact CG-CG2 4.49Å
401I90.8Very high79.9Confident8 Ų875.4 Ų75.44%0.04139%0.389CS..EExtended strand (participates in β ladder)trans-120.8111.9-178.2-59.1171.1000108.4T247 L250 L251 L383 I385 V399T247-I401 HydrophobicContact CG2-CD1 4.5Å; T247-I401 HydrophobicContact CG2-CG2 3.6Å; L250-I401 HydrophobicContact CD2-CD1 3.76Å; L250-I401 HydrophobicContact CD2-CG1 4.39Å; L250-I401 HydrophobicContact CG-CD1 4.46Å; L251-I401 HydrophobicContact CD2-CD1 3.58Å; L251-I401 HydrophobicContact CG-CD1 4.12Å; L383-I401 PolarHBondContact N-O 3.39Å; L383-I401 PolarHBondContact O-N 3.49Å; I385-I401 HydrophobicContact CD1-CD1 3.58Å; I385-I401 HydrophobicContact CG1-CD1 4.03Å; V399-I401 HydrophobicContact CG1-CG1 4.21Å
402H92Very high81.8Confident19 Ų1972.3 Ų72.39%0.08838%0.382CS..  trans-107.1117.2169.6-161.8-15.2000110.4P379 R380 P382 R404 D405 G650P379-H402 PolarHBondContact O-CE1 2.86Å; R380-H402 PolarHBondContact O-NE2 3Å; P382-H402 HydrophobicContact CB-CB 4.06Å; H402-R404 VanDerWaalsContact CE1-CB 3.46Å; H402-R404 WeakPolarHBondContact CE1-CB 3.27Å; H402-R404 VanDerWaalsContact CE1-CG 3.44Å; H402-R404 WeakPolarHBondContact CE1-CG 3.4Å; H402-R404 PolarHBondContact ND1-N 3.34Å; H402-R404 PolarHBondContact O-N 3.08Å; H402-R404 VanDerWaalsContact O-N 3.11Å; H402-D405 HydrophobicContact CB-CB 4.44Å; H402-D405 VanDerWaalsContact CB-OD2 3.25Å; H402-D405 WeakPolarHBondContact CB-OD2 3.47Å; H402-D405 WeakPolarHBondContact O-CB 3.43Å; H402-D405 PolarHBondContact O-N 3.38Å; H402-G650 PolarHBondContact CD2-O 3.2Å
403P89.3Confident84.3Confident3 Ų364.6 Ų64.62%0.01934%0.344CS..G310 helixtrans-60.9-23.5178.3-28.938000114.5I336 F340 L378 P379 D405 F407I336-P403 HydrophobicContact CD1-CG 4.25Å; I336-P403 HydrophobicContact CG2-CG 3.71Å; F340-P403 HydrophobicContact CB-CB 3.94Å; F340-P403 HydrophobicContact CB-CG 4.2Å; L378-P403 HydrophobicContact CD2-CB 4.48Å; P379-P403 HydrophobicContact CG-CB 4.36Å; P379-P403 HydrophobicContact CG-CG 3.79Å; P403-D405 VanDerWaalsContact C-N 3.3Å; P403-F407 WeakPolarHBondContact O-CE2 3.45Å
404R92.9Very high86.4Confident14 Ų1460.8 Ų60.85%0.05330%0.304CS..G310 helixtrans-74.3-19.4176.2-63.8-175.1-174.6-151.5-6.4112.4L378 P379 H402 M406 F407 E601 W649 G650L378-R404 HydrophobicContact CB-CG 4.44Å; L378-R404 PolarHBondContact O-NH2 3.07Å; L378-R404 VanDerWaalsContact O-NH2 3.1Å; P379-R404 PolarHBondContact O-NE 3.27Å; P379-R404 VanDerWaalsContact O-NE 3.14Å; H402-R404 VanDerWaalsContact CE1-CB 3.46Å; H402-R404 WeakPolarHBondContact CE1-CB 3.27Å; H402-R404 VanDerWaalsContact CE1-CG 3.44Å; H402-R404 WeakPolarHBondContact CE1-CG 3.4Å; H402-R404 PolarHBondContact ND1-N 3.34Å; H402-R404 PolarHBondContact O-N 3.08Å; H402-R404 VanDerWaalsContact O-N 3.11Å; R404-M406 PolarHBondContact O-N 2.88Å; R404-F407 WeakPolarHBondContact O-CD2 3.18Å; R404-F407 PolarHBondContact O-N 3.46Å; R404-E601 IonicContact NH1-OE1 3.42Å; R404-E601 PolarHBondContact NH1-OE1 3.32Å; R404-E601 IonicContact NH1-OE2 3.36Å; R404-W649 HydrophobicContact CB-CB 4.16Å; R404-W649 HydrophobicContact CB-CD2 4.37Å; R404-W649 HydrophobicContact CB-CG 4.14Å; R404-W649 HydrophobicContact CG-CD2 4.24Å; R404-W649 HydrophobicContact CG-CG 4.41Å; R404-G650 PolarHBondContact O-N 3.18Å
405D91.8Very high88.6Confident53 Ų5354.2 Ų54.228%0.28328%0.275SS..G310 helixtrans-62.9-27-179.8-73.7-22.7000112.8H402 P403 F407 S648 G650 S651H402-D405 HydrophobicContact CB-CB 4.44Å; H402-D405 VanDerWaalsContact CB-OD2 3.25Å; H402-D405 WeakPolarHBondContact CB-OD2 3.47Å; H402-D405 WeakPolarHBondContact O-CB 3.43Å; H402-D405 PolarHBondContact O-N 3.38Å; P403-D405 VanDerWaalsContact C-N 3.3Å; D405-F407 PolarHBondContact O-N 3.32Å; D405-S648 WeakPolarHBondContact CA-OG 3.47Å; D405-S648 PolarHBondContact O-OG 3.49Å; D405-G650 VanDerWaalsContact OD1-C 3.3Å; D405-G650 WeakPolarHBondContact OD1-CA 3.43Å; D405-S651 PolarHBondContact OD1-OG 3.5Å
406M91.6Very high90.5Very high22 Ų2245.6 Ų45.611%0.10824%0.235CC..G310 helixtrans-72.9-13.3-176.8-52.9-64150.100112.8V239 D240 A243 L244 T247 R404V239-M406 CarbonylContact C-O 3.49Å; V239-M406 VanDerWaalsContact CA-O 3.31Å; V239-M406 WeakPolarHBondContact CA-O 3.5Å; V239-M406 HydrophobicContact CG1-CB 4.26Å; V239-M406 WeakPolarHBondContact CG1-O 3.5Å; D240-M406 PolarHBondContact N-O 2.92Å; A243-M406 VanDerWaalsContact C-SD 3.58Å; A243-M406 HydrophobicContact CB-CE 4.17Å; A243-M406 HydrophobicContact CB-SD 3.25Å; A243-M406 WeakPolarHBondContact CB-SD 3.39Å; L244-M406 HydrophobicContact CD2-CB 4.04Å; L244-M406 HydrophobicContact CD2-CG 3.82Å; L244-M406 HydrophobicContact CG-CB 4.15Å; L244-M406 HydrophobicContact CG-CG 4.19Å; T247-M406 VanDerWaalsContact OG1-CE 3.29Å; T247-M406 WeakPolarHBondContact OG1-CE 3.5Å; R404-M406 PolarHBondContact O-N 2.88Å
407F94Very high92Very high0 Ų040.7 Ų40.70%021%0.214CC..EExtended strand (participates in β ladder)trans-94.7122.5176.7-59.6-93.7000108.9I237 V239 I344 I354 F375 L378 P403 R404 D405 F415 S648 W649I237-F407 HydrophobicContact CG2-CB 4.37Å; I237-F407 HydrophobicContact CG2-CD1 3.86Å; V239-F407 HydrophobicContact CG2-CD1 3.67Å; V239-F407 HydrophobicContact CG2-CE1 3.81Å; I344-F407 HydrophobicContact CD1-CE2 4.16Å; I344-F407 HydrophobicContact CD1-CZ 3.74Å; I354-F407 HydrophobicContact CG2-CE1 4.28Å; F375-F407 HydrophobicContact CD1-CE1 4.26Å; F375-F407 HydrophobicContact CD1-CZ 4.18Å; F375-F407 AromaticContact CE1-CE1 3.49Å; F375-F407 HydrophobicContact CE1-CE1 3.49Å; F375-F407 VanDerWaalsContact CE1-CE1 3.49Å; F375-F407 AromaticContact CE1-CZ 3.74Å; F375-F407 HydrophobicContact CE1-CZ 3.74Å; F375-F407 HydrophobicContact CZ-CE1 4.14Å; L378-F407 HydrophobicContact CD1-CE2 3.77Å; L378-F407 HydrophobicContact CD1-CZ 3.79Å; L378-F407 HydrophobicContact CD2-CE2 4.4Å; P403-F407 WeakPolarHBondContact O-CE2 3.45Å; R404-F407 WeakPolarHBondContact O-CD2 3.18Å; R404-F407 PolarHBondContact O-N 3.46Å; D405-F407 PolarHBondContact O-N 3.32Å; F407-F415 HydrophobicContact CB-CE2 4.33Å; F407-F415 WeakPolarHBondContact O-CE2 3.48Å; F407-S648 WeakPolarHBondContact O-CA 2.86Å; F407-S648 PolarHBondContact O-OG 2.96Å; F407-W649 HydrophobicContact CB-CB 4.06Å; F407-W649 HydrophobicContact CB-CE3 4.12Å; F407-W649 HydrophobicContact CD1-CE3 4.34Å; F407-W649 AromaticContact CD2-CE3 3.92Å; F407-W649 HydrophobicContact CD2-CE3 3.92Å; F407-W649 HydrophobicContact CD2-CZ3 4.5Å; F407-W649 HydrophobicContact CE2-CE3 4.34Å; F407-W649 AromaticContact CG-CE3 3.88Å; F407-W649 HydrophobicContact CG-CE3 3.88Å; F407-W649 HydrophobicContact CG-CZ3 4.5Å; F407-W649 PolarHBondContact O-N 3.11Å; F407-W649 VanDerWaalsContact O-N 3.17Å
408I94.7Very high92.9Very high58 Ų5836.1 Ų36.130%0.29719%0.192SC..EExtended strand (participates in β ladder)trans-130.5135.8-173.1-54.2176.5000106.9Y238 D240Y238-I408 WeakPolarHBondContact CB-O 3.44Å; Y238-I408 HydrophobicContact CD1-CB 4.15Å; Y238-I408 PolarHBondContact O-N 2.89Å; D240-I408 HydrophobicContact CB-CD1 4.14Å
409P94.3Very high93.5Very high9 Ų933.6 Ų33.66%0.05818%0.176CC..PPolyproline II helixtrans-69.316817431.6-33.1000110.2W413 F415 E605 K647P409-W413 HydrophobicContact CB-CB 4.22Å; P409-W413 WeakPolarHBondContact CG-O 3.35Å; P409-F415 HydrophobicContact CB-CD1 4.04Å; P409-F415 HydrophobicContact CB-CD2 4.47Å; P409-F415 HydrophobicContact CB-CE1 3.82Å; P409-F415 HydrophobicContact CB-CE2 4.32Å; P409-F415 HydrophobicContact CB-CG 4.34Å; P409-F415 HydrophobicContact CB-CZ 3.99Å; P409-F415 HydrophobicContact CG-CD2 4.37Å; P409-F415 HydrophobicContact CG-CE2 4.39Å; P409-F415 VanDerWaalsContact N-CZ 3.35Å; P409-E605 WeakPolarHBondContact CA-OE1 3.45Å; P409-E605 HydrophobicContact CB-CG 4.21Å; P409-K647 WeakPolarHBondContact CD-O 3.33Å
410R90Very high93.7Very high90 Ų9032.1 Ų32.134%0.3417%0.167SC..PPolyproline II helixtrans-60.9157.1171.1-62.9165-166.1-129.6-5.9111.4G412 W413 E605R410-G412 PolarHBondContact O-N 3.13Å; R410-W413 HydrophobicContact CB-CB 4.32Å; R410-W413 HydrophobicContact CB-CG 4.15Å; R410-W413 WeakPolarHBondContact O-CA 3.43Å; R410-W413 WeakPolarHBondContact O-CB 3.5Å; R410-W413 PolarHBondContact O-N 3.4Å; R410-E605 WeakPolarHBondContact CG-OE1 3.24Å; R410-E605 PolarHBondContact N-OE1 3.27Å; R410-E605 IonicContact NE-OE1 3.89Å; R410-E605 IonicContact NE-OE2 3.65Å; R410-E605 PolarHBondContact NE-OE2 3.43Å
411E90.9Very high93.8Very high197 Ų19729 Ų2992%0.92115%0.148SC*.THydrogen-bonded Turntrans-58.5133.9171.6-171174.9-175.700110.9W413E411-W413 VanDerWaalsContact C-N 3.28Å
412G94.6Very high93.7Very high37 Ų3731.2 Ų31.238%0.38116%0.158SC..THydrogen-bonded Turntrans77.46.7-171.900000115.2R410 D608R410-G412 PolarHBondContact O-N 3.13Å; G412-D608 VanDerWaalsContact C-CG 3.44Å; G412-D608 VanDerWaalsContact C-OD2 3.26Å; G412-D608 WeakPolarHBondContact CA-OD2 3.48Å; G412-D608 VanDerWaalsContact O-CG 3.26Å; G412-D608 PolarHBondContact O-N 2.91Å
413W96.6Very high93.5Very high40 Ų4030.5 Ų30.515%0.15216%0.155CC..EExtended strand (participates in β ladder)trans-122.9159.5177.4-63.361.5000111P409 R410 E411 S591 E605 V606 E607 D608 K647P409-W413 HydrophobicContact CB-CB 4.22Å; P409-W413 WeakPolarHBondContact CG-O 3.35Å; R410-W413 HydrophobicContact CB-CB 4.32Å; R410-W413 HydrophobicContact CB-CG 4.15Å; R410-W413 WeakPolarHBondContact O-CA 3.43Å; R410-W413 WeakPolarHBondContact O-CB 3.5Å; R410-W413 PolarHBondContact O-N 3.4Å; E411-W413 VanDerWaalsContact C-N 3.28Å; W413-S591 WeakPolarHBondContact CH2-O 3.4Å; W413-E605 HydrophobicContact CB-CG 4.16Å; W413-E605 HydrophobicContact CD2-CG 4.38Å; W413-E605 HydrophobicContact CE3-CB 4.24Å; W413-E605 HydrophobicContact CE3-CG 3.8Å; W413-V606 CarbonylContact C-O 3.59Å; W413-V606 VanDerWaalsContact CA-O 3.28Å; W413-V606 WeakPolarHBondContact CA-O 3.48Å; W413-V606 WeakPolarHBondContact CB-O 3.38Å; W413-E607 HydrophobicContact CD2-CB 4.34Å; W413-E607 HydrophobicContact CE3-CB 4.47Å; W413-E607 VanDerWaalsContact CE3-N 3.32Å; W413-E607 HydrophobicContact CZ2-CB 4.41Å; W413-D608 WeakPolarHBondContact CA-OD1 3.24Å; W413-K647 PolarHBondContact O-NZ 2.95Å
414S97.2Very high93.5Very high8 Ų832.1 Ų32.16%0.05616%0.162CC..EExtended strand (participates in β ladder)trans-131.9151.9176.3-67.80000110V606 D608 K647S414-V606 PolarHBondContact N-O 2.93Å; S414-V606 PolarHBondContact O-N 2.97Å; S414-D608 WeakPolarHBondContact CB-OD1 3.44Å; S414-D608 PolarHBondContact N-OD1 2.96Å; S414-D608 PolarHBondContact OG-OD1 3.33Å; S414-K647 VanDerWaalsContact OG-CE 3.26Å; S414-K647 WeakPolarHBondContact OG-CE 3.36Å; S414-K647 PolarHBondContact OG-NZ 3.42Å; S414-K647 VanDerWaalsContact OG-NZ 3.09Å
415F97.8Very high93.3Very high0 Ų031.5 Ų31.50%016%0.16CC..EExtended strand (participates in β ladder)trans-80.4140.2165.8-67.9-42.1000110.3I237 F407 P409 L595 L603 Y604 E605 V645 G646 W649 M652I237-F415 HydrophobicContact CG2-CZ 4.01Å; F407-F415 HydrophobicContact CB-CE2 4.33Å; F407-F415 WeakPolarHBondContact O-CE2 3.48Å; P409-F415 HydrophobicContact CB-CD1 4.04Å; P409-F415 HydrophobicContact CB-CD2 4.47Å; P409-F415 HydrophobicContact CB-CE1 3.82Å; P409-F415 HydrophobicContact CB-CE2 4.32Å; P409-F415 HydrophobicContact CB-CG 4.34Å; P409-F415 HydrophobicContact CB-CZ 3.99Å; P409-F415 HydrophobicContact CG-CD2 4.37Å; P409-F415 HydrophobicContact CG-CE2 4.39Å; P409-F415 VanDerWaalsContact N-CZ 3.35Å; F415-L595 HydrophobicContact CD1-CD1 3.89Å; F415-L595 HydrophobicContact CE1-CD1 3.4Å; F415-L595 VanDerWaalsContact CE1-CD1 3.4Å; F415-L595 HydrophobicContact CZ-CD1 4.39Å; F415-L603 HydrophobicContact CB-CD1 4.07Å; F415-L603 HydrophobicContact CG-CD1 4.35Å; F415-Y604 CarbonylContact C-O 3.44Å; F415-Y604 VanDerWaalsContact CA-O 3.28Å; F415-Y604 WeakPolarHBondContact CA-O 3.31Å; F415-E605 HydrophobicContact CD1-CB 4.49Å; F415-E605 HydrophobicContact CD1-CG 4.37Å; F415-E605 HydrophobicContact CE1-CG 4.21Å; F415-V645 CarbonylContact O-C 3.6Å; F415-V645 VanDerWaalsContact O-CA 3.25Å; F415-V645 WeakPolarHBondContact O-CA 3.4Å; F415-G646 PolarHBondContact N-O 3.14Å; F415-G646 PolarHBondContact O-N 3.07Å; F415-W649 HydrophobicContact CD2-CB 3.99Å; F415-W649 HydrophobicContact CE2-CB 4.09Å; F415-M652 HydrophobicContact CB-CE 4.01Å
416L97.9Very high93.2Very high0 Ų029.8 Ų29.80%015%0.15CC..EExtended strand (participates in β ladder)trans-123.9121.4169.8-174.8151.1000108.6A418 Y604 V606 F614 A615 V643 S644 V645L416-A418 HydrophobicContact CD2-CB 4.45Å; L416-Y604 HydrophobicContact CD2-CD2 4.27Å; L416-Y604 PolarHBondContact N-O 3.17Å; L416-Y604 PolarHBondContact O-N 3.28Å; L416-V606 HydrophobicContact CB-CG2 3.87Å; L416-F614 HydrophobicContact CD1-CD1 4.04Å; L416-F614 HydrophobicContact CD2-CE1 4.42Å; L416-A615 HydrophobicContact CD1-CB 3.67Å; L416-V643 HydrophobicContact CD1-CG1 3.94Å; L416-V643 HydrophobicContact CD2-CG1 3.81Å; L416-V643 HydrophobicContact CG-CG1 3.8Å; L416-S644 CarbonylContact C-O 3.58Å; L416-S644 WeakPolarHBondContact CA-O 3.39Å; L416-V645 HydrophobicContact CB-CG2 4.49Å; L416-V645 HydrophobicContact CD1-CG2 4.18Å; L416-V645 HydrophobicContact CG-CG2 4.22Å
417A97.1Very high93.2Very high7 Ų728.7 Ų28.76%0.05814%0.144CC..EExtended strand (participates in β ladder)trans-108.5133.2175.900000109.2E601 L602 L603 V643 S644 M652A417-E601 HydrophobicContact CB-CG 4.23Å; A417-L602 CarbonylContact C-O 3.58Å; A417-L602 VanDerWaalsContact CA-O 3.31Å; A417-L602 WeakPolarHBondContact CA-O 3.31Å; A417-L603 HydrophobicContact CB-CD1 4.22Å; A417-V643 CarbonylContact O-C 3.46Å; A417-V643 VanDerWaalsContact O-CA 3.3Å; A417-V643 WeakPolarHBondContact O-CA 3.34Å; A417-S644 PolarHBondContact N-O 2.96Å; A417-S644 PolarHBondContact O-N 3.41Å; A417-M652 HydrophobicContact CB-CE 3.52Å; A417-M652 HydrophobicContact CB-SD 3.91Å
418A97.2Very high93.1Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-124.4119.7174.700000110L416 E601 L602 V618 M622 V641 A642 V643L416-A418 HydrophobicContact CD2-CB 4.45Å; A418-E601 CarbonylContact O-C 3.58Å; A418-E601 WeakPolarHBondContact O-CA 3.44Å; A418-L602 PolarHBondContact N-O 3.22Å; A418-L602 PolarHBondContact O-N 3.47Å; A418-V618 HydrophobicContact CB-CG1 3.43Å; A418-V618 VanDerWaalsContact CB-CG1 3.43Å; A418-M622 HydrophobicContact CB-CE 4.21Å; A418-M622 HydrophobicContact CB-SD 3.56Å; A418-M622 VanDerWaalsContact CB-SD 3.56Å; A418-V641 HydrophobicContact CB-CG1 4.13Å; A418-A642 CarbonylContact C-O 3.51Å; A418-A642 WeakPolarHBondContact CA-O 3.42Å; A418-V643 HydrophobicContact CB-CG2 4.33Å
419D94.8Very high92.9Very high32 Ų3226 Ų2617%0.17113%0.131CC..EExtended strand (participates in β ladder)trans-120.4129.8-172.7-174.881.2000110.5R380 C421 E601 V641 A642R380-D419 IonicContact NH2-OD1 3.81Å; R380-D419 PolarHBondContact NH2-OD1 3.09Å; D419-C421 PolarHBondContact O-N 3.35Å; D419-E601 HydrophobicContact CB-CB 4.3Å; D419-E601 HydrophobicContact CB-CG 4.42Å; D419-E601 WeakPolarHBondContact OD1-CB 3.42Å; D419-V641 WeakPolarHBondContact O-CA 3.39Å; D419-A642 PolarHBondContact N-O 3.28Å; D419-A642 PolarHBondContact O-N 3.37Å
420F93.4Very high92.8Very high1 Ų126.9 Ų26.90%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-71.8112.4172.6-72.9-71.7000110.7Q422 V423 A576 D600 M622 L625 L639 V641F420-Q422 PolarHBondContact O-N 3.18Å; F420-V423 HydrophobicContact CB-CB 3.73Å; F420-V423 HydrophobicContact CB-CG1 4.29Å; F420-V423 HydrophobicContact CB-CG2 4.19Å; F420-V423 HydrophobicContact CG-CG2 4.46Å; F420-A576 HydrophobicContact CE2-CB 4.19Å; F420-A576 HydrophobicContact CZ-CB 4.08Å; F420-D600 HydrophobicContact CB-CB 4.3Å; F420-D600 PolarHBondContact N-O 3.35Å; F420-M622 HydrophobicContact CD1-CE 4.03Å; F420-M622 HydrophobicContact CD2-CE 3.71Å; F420-M622 HydrophobicContact CE1-CB 3.86Å; F420-M622 HydrophobicContact CE1-CE 3.85Å; F420-M622 HydrophobicContact CE1-CG 4.48Å; F420-M622 HydrophobicContact CE2-CE 3.52Å; F420-M622 HydrophobicContact CG-CE 3.96Å; F420-M622 HydrophobicContact CZ-CB 4Å; F420-M622 HydrophobicContact CZ-CE 3.59Å; F420-M622 HydrophobicContact CZ-CG 4.17Å; F420-L625 HydrophobicContact CZ-CD1 4.25Å; F420-L639 HydrophobicContact CE1-CB 4.45Å; F420-L639 HydrophobicContact CE1-CD1 4.12Å; F420-V641 HydrophobicContact CD1-CG2 3.87Å; F420-V641 HydrophobicContact CE1-CG2 4.01Å
421C90.8Very high92.9Very high12 Ų1224.7 Ų24.78%0.08113%0.127CC..THydrogen-bonded Turntrans-64.4108.1-178.8-71.40000111.6D419 V423 R426 K640D419-C421 PolarHBondContact O-N 3.35Å; C421-V423 VanDerWaalsContact C-N 3.29Å; C421-V423 PolarHBondContact O-N 2.94Å; C421-R426 WeakPolarHBondContact O-CD 3.29Å; C421-R426 PolarHBondContact O-NE 3.23Å; C421-K640 HydrophobicContact CB-CB 4Å; C421-K640 HydrophobicContact CB-CD 4.33Å; C421-K640 HydrophobicContact CB-CG 4.09Å; C421-K640 WeakPolarHBondContact CB-O 3.39Å; C421-K640 PolarHBondContact N-O 3.42Å
422Q88.4Confident93Very high54 Ų5415.9 Ų15.925%0.2529%0.087SC..THydrogen-bonded Turntrans56.238.7174-51.479.251.400113.5F420 E424 L425 R426 V448 F449F420-Q422 PolarHBondContact O-N 3.18Å; Q422-E424 PolarHBondContact O-N 3.4Å; Q422-E424 VanDerWaalsContact O-N 3.12Å; Q422-L425 PolarHBondContact O-N 3.13Å; Q422-R426 PolarHBondContact O-N 3.31Å; Q422-R426 VanDerWaalsContact O-N 3.1Å; Q422-V448 HydrophobicContact CG-CG1 4.24Å; Q422-F449 HydrophobicContact CG-CE2 3.76Å; Q422-F449 HydrophobicContact CG-CZ 4.02Å
423V89.4Confident92.9Very high3 Ų316.2 Ų16.22%0.0188%0.083CC..Hα-helixtrans-52.1-38.6-175.168.80000113.5F420 C421 L425 R426 L427 A569 L572 D600F420-V423 HydrophobicContact CB-CB 3.73Å; F420-V423 HydrophobicContact CB-CG1 4.29Å; F420-V423 HydrophobicContact CB-CG2 4.19Å; F420-V423 HydrophobicContact CG-CG2 4.46Å; C421-V423 VanDerWaalsContact C-N 3.29Å; C421-V423 PolarHBondContact O-N 2.94Å; V423-L425 PolarHBondContact O-N 2.91Å; V423-R426 PolarHBondContact O-N 3.27Å; V423-L427 HydrophobicContact CG2-CD1 4.13Å; V423-L427 HydrophobicContact CG2-CG 4.43Å; V423-L427 WeakPolarHBondContact O-CB 3.38Å; V423-L427 VanDerWaalsContact O-CG 3.31Å; V423-L427 WeakPolarHBondContact O-CG 3.34Å; V423-L427 PolarHBondContact O-N 3.07Å; V423-A569 HydrophobicContact CG1-CB 4.19Å; V423-L572 HydrophobicContact CG2-CD1 4.22Å; V423-D600 HydrophobicContact CG1-CB 4.09Å
424E88.2Confident92.7Very high38 Ų3814.5 Ų14.518%0.1788%0.077CC..Hα-helixtrans-64.5-38.3-179.7-62.1-178.9-175.500112.5R367 Q422 L428 Y481 Q564R367-E424 IonicContact NH2-OE1 3.49Å; Q422-E424 PolarHBondContact O-N 3.4Å; Q422-E424 VanDerWaalsContact O-N 3.12Å; E424-L428 PolarHBondContact O-N 2.73Å; E424-Y481 WeakPolarHBondContact CB-OH 3.47Å; E424-Y481 PolarHBondContact OE2-OH 3.45Å; E424-Q564 VanDerWaalsContact CD-O 3.3Å; E424-Q564 VanDerWaalsContact OE1-O 3.04Å
425L88.2Confident92.4Very high0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-75.9-33.6176.5-72.1-178.7000112Q422 V423 L427 L428 A429 F441 V448 F449 V476 Y477Q422-L425 PolarHBondContact O-N 3.13Å; V423-L425 PolarHBondContact O-N 2.91Å; L425-L427 VanDerWaalsContact C-N 3.35Å; L425-L428 HydrophobicContact CD2-CD2 4.24Å; L425-L428 WeakPolarHBondContact O-CB 3.32Å; L425-L428 PolarHBondContact O-N 2.95Å; L425-A429 PolarHBondContact O-N 2.88Å; L425-F441 HydrophobicContact CB-CE2 3.97Å; L425-F441 HydrophobicContact CB-CZ 3.53Å; L425-F441 WeakPolarHBondContact O-CE2 3.39Å; L425-V448 HydrophobicContact CD1-CG1 4.03Å; L425-V448 HydrophobicContact CD1-CG2 4.08Å; L425-F449 HydrophobicContact CD1-CD1 4.13Å; L425-F449 HydrophobicContact CD1-CE1 3.41Å; L425-F449 VanDerWaalsContact CD1-CE1 3.41Å; L425-F449 HydrophobicContact CD1-CZ 3.73Å; L425-V476 HydrophobicContact CD1-CG1 4.25Å; L425-V476 HydrophobicContact CD2-CG1 3.93Å; L425-Y477 HydrophobicContact CD1-CE1 4.22Å; L425-Y477 HydrophobicContact CD2-CD1 4.17Å; L425-Y477 HydrophobicContact CD2-CE1 3.92Å; L425-Y477 HydrophobicContact CG-CD1 4.41Å; L425-Y477 HydrophobicContact CG-CE1 3.69Å
426R91.2Very high91.8Very high17 Ų1722.5 Ų22.56%0.06412%0.122CC..Hα-helixtrans-63.1-43.5172.7-69.4179-173.6-75.7-13.3111C421 Q422 V423 A429 H430 F441 V637 P638C421-R426 WeakPolarHBondContact O-CD 3.29Å; C421-R426 PolarHBondContact O-NE 3.23Å; Q422-R426 PolarHBondContact O-N 3.31Å; Q422-R426 VanDerWaalsContact O-N 3.1Å; V423-R426 PolarHBondContact O-N 3.27Å; R426-A429 WeakPolarHBondContact O-CB 3.25Å; R426-A429 PolarHBondContact O-N 2.97Å; R426-H430 PolarHBondContact O-N 3.37Å; R426-F441 HydrophobicContact CG-CD1 3.77Å; R426-F441 HydrophobicContact CG-CD2 4.4Å; R426-F441 HydrophobicContact CG-CE1 3.63Å; R426-F441 HydrophobicContact CG-CE2 4.29Å; R426-F441 HydrophobicContact CG-CG 4.16Å; R426-F441 HydrophobicContact CG-CZ 3.9Å; R426-V637 HydrophobicContact CB-CG2 3.72Å; R426-V637 HydrophobicContact CG-CG2 4.32Å; R426-V637 VanDerWaalsContact O-CG2 3.28Å; R426-V637 WeakPolarHBondContact O-CG2 3.27Å; R426-P638 WeakPolarHBondContact CD-O 3.29Å; R426-P638 PolarHBondContact NH1-O 2.91Å
427L91.3Very high91.3Very high0 Ų022.7 Ų22.70%012%0.123CC..Hα-helixtrans-63-41.9173.2-73.7169.8000111.8V423 L425 A429 H430 F431 L533 A569 L572 L635V423-L427 HydrophobicContact CG2-CD1 4.13Å; V423-L427 HydrophobicContact CG2-CG 4.43Å; V423-L427 WeakPolarHBondContact O-CB 3.38Å; V423-L427 VanDerWaalsContact O-CG 3.31Å; V423-L427 WeakPolarHBondContact O-CG 3.34Å; V423-L427 PolarHBondContact O-N 3.07Å; L425-L427 VanDerWaalsContact C-N 3.35Å; L427-A429 VanDerWaalsContact C-N 3.34Å; L427-A429 PolarHBondContact O-N 3.45Å; L427-H430 WeakPolarHBondContact O-CB 3.25Å; L427-H430 PolarHBondContact O-N 3.48Å; L427-F431 HydrophobicContact CB-CD2 4.4Å; L427-F431 HydrophobicContact CB-CE2 4.22Å; L427-F431 HydrophobicContact CD2-CE2 4.29Å; L427-F431 WeakPolarHBondContact O-CD2 3.49Å; L427-F431 PolarHBondContact O-N 2.72Å; L427-L533 HydrophobicContact CD2-CD2 4.07Å; L427-A569 HydrophobicContact CD1-CB 3.77Å; L427-L572 HydrophobicContact CD1-CD1 4.39Å; L427-L572 HydrophobicContact CD2-CD1 3.97Å; L427-L572 HydrophobicContact CG-CD1 4.45Å; L427-L635 HydrophobicContact CD2-CD2 4.19Å
428L90.4Very high91.1Very high2 Ų224.1 Ų24.11%0.0113%0.129CC..Hα-helixtrans-56.9-48.2172.2-178.771.9000111.3E424 L425 H430 F431 S432 L437 V480 V513 F516 V563E424-L428 PolarHBondContact O-N 2.73Å; L425-L428 HydrophobicContact CD2-CD2 4.24Å; L425-L428 WeakPolarHBondContact O-CB 3.32Å; L425-L428 PolarHBondContact O-N 2.95Å; L428-H430 VanDerWaalsContact C-N 3.29Å; L428-H430 PolarHBondContact O-N 3.06Å; L428-F431 PolarHBondContact O-N 3.47Å; L428-S432 WeakPolarHBondContact O-CB 3.37Å; L428-S432 PolarHBondContact O-N 2.74Å; L428-S432 PolarHBondContact O-OG 3.4Å; L428-L437 HydrophobicContact CD2-CD1 3.87Å; L428-L437 HydrophobicContact CG-CD1 4.22Å; L428-V480 HydrophobicContact CD1-CG1 3.82Å; L428-V480 HydrophobicContact CD2-CB 4.2Å; L428-V480 HydrophobicContact CD2-CG1 3.35Å; L428-V480 HydrophobicContact CD2-CG2 3.69Å; L428-V480 HydrophobicContact CG-CG1 4.13Å; L428-V513 HydrophobicContact CD1-CG1 4.19Å; L428-V513 HydrophobicContact CD1-CG2 4.4Å; L428-V513 HydrophobicContact CD2-CG1 4.46Å; L428-V513 HydrophobicContact CD2-CG2 4.01Å; L428-V513 HydrophobicContact CG-CG2 4.21Å; L428-F516 HydrophobicContact CD1-CD1 4.33Å; L428-F516 HydrophobicContact CD1-CE1 4.43Å; L428-V563 HydrophobicContact CB-CG1 3.71Å; L428-V563 HydrophobicContact CD1-CG1 3.93Å; L428-V563 HydrophobicContact CD1-CG2 4.08Å; L428-V563 HydrophobicContact CG-CG1 4.4Å
429A91.3Very high90.6Very high0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-59.5-41.6178.900000111.4L425 R426 L427 S432 S433 L437 L438 F441 V637L425-A429 PolarHBondContact O-N 2.88Å; R426-A429 WeakPolarHBondContact O-CB 3.25Å; R426-A429 PolarHBondContact O-N 2.97Å; L427-A429 VanDerWaalsContact C-N 3.34Å; L427-A429 PolarHBondContact O-N 3.45Å; A429-S432 PolarHBondContact O-OG 2.93Å; A429-S433 VanDerWaalsContact O-CA 3.27Å; A429-S433 WeakPolarHBondContact O-CA 3.4Å; A429-S433 PolarHBondContact O-N 3.43Å; A429-L437 HydrophobicContact CB-CB 3.8Å; A429-L438 HydrophobicContact CB-CD2 4.3Å; A429-F441 HydrophobicContact CB-CD2 3.73Å; A429-F441 HydrophobicContact CB-CE2 4.03Å; A429-V637 HydrophobicContact CB-CG1 3.94Å
430H92.6Very high90.3Very high27 Ų2728.6 Ų28.613%0.12514%0.144CC..Hα-helixtrans-60.6-54.2174.517169.3000112.5R426 L427 L428 S433 H634 L635 K636R426-H430 PolarHBondContact O-N 3.37Å; L427-H430 WeakPolarHBondContact O-CB 3.25Å; L427-H430 PolarHBondContact O-N 3.48Å; L428-H430 VanDerWaalsContact C-N 3.29Å; L428-H430 PolarHBondContact O-N 3.06Å; H430-S433 PolarHBondContact O-N 3.44Å; H430-S433 PolarHBondContact O-OG 2.86Å; H430-S433 VanDerWaalsContact O-OG 3.13Å; H430-H634 PolarHBondContact CE1-O 3.46Å; H430-L635 HydrophobicContact CB-CD2 4.25Å; H430-K636 PolarHBondContact ND1-N 2.82Å
431F91.8Very high90Very high44 Ų4429 Ų2919%0.19315%0.146CC..Hα-helixtrans-70.3-39.1-175.8-70.4-58.5000113.5L427 L428 F516 L533 V562 V563 S568L427-F431 HydrophobicContact CB-CD2 4.4Å; L427-F431 HydrophobicContact CB-CE2 4.22Å; L427-F431 HydrophobicContact CD2-CE2 4.29Å; L427-F431 WeakPolarHBondContact O-CD2 3.49Å; L427-F431 PolarHBondContact O-N 2.72Å; L428-F431 PolarHBondContact O-N 3.47Å; F431-F516 HydrophobicContact CB-CD2 3.77Å; F431-F516 HydrophobicContact CB-CE2 3.52Å; F431-F516 HydrophobicContact CB-CG 4.45Å; F431-F516 HydrophobicContact CB-CZ 4.01Å; F431-F516 HydrophobicContact CG-CE2 4.11Å; F431-F516 HydrophobicContact CG-CZ 4.46Å; F431-L533 HydrophobicContact CE1-CD1 4.21Å; F431-L533 HydrophobicContact CZ-CB 4.04Å; F431-L533 HydrophobicContact CZ-CD1 4.1Å; F431-V562 HydrophobicContact CD1-CG1 4.32Å; F431-V562 HydrophobicContact CD2-CG1 3.92Å; F431-V562 HydrophobicContact CE1-CG1 4.22Å; F431-V562 HydrophobicContact CE2-CG1 3.82Å; F431-V562 WeakPolarHBondContact CE2-O 3.35Å; F431-V562 HydrophobicContact CG-CG1 4.19Å; F431-V562 HydrophobicContact CZ-CG1 3.96Å; F431-V563 HydrophobicContact CD2-CG2 4.41Å; F431-S568 WeakPolarHBondContact CZ-OG 3.46Å
432S92Very high89.7Confident12 Ų1233.2 Ų33.28%0.08417%0.172CC..Hα-helixtrans-73.5-30176.763.80000112.5L428 A429 D434L428-S432 WeakPolarHBondContact O-CB 3.37Å; L428-S432 PolarHBondContact O-N 2.74Å; L428-S432 PolarHBondContact O-OG 3.4Å; A429-S432 PolarHBondContact O-OG 2.93Å; S432-D434 PolarHBondContact O-N 2.89Å; S432-D434 PolarHBondContact OG-N 2.97Å
433S93.4Very high89.4Confident43 Ų4334 Ų3430%0.30118%0.177SC..  trans50.133.2-169.6-56.10000112.2A429 H430 K636A429-S433 VanDerWaalsContact O-CA 3.27Å; A429-S433 WeakPolarHBondContact O-CA 3.4Å; A429-S433 PolarHBondContact O-N 3.43Å; H430-S433 PolarHBondContact O-N 3.44Å; H430-S433 PolarHBondContact O-OG 2.86Å; H430-S433 VanDerWaalsContact O-OG 3.13Å; S433-K636 PolarHBondContact OG-NZ 3.09Å
434D92Very high88.5Confident4 Ų438.8 Ų38.82%0.02121%0.209CC..  trans-70.8124-179.3-173.8-86.6000110S432 E436 L437 L438 Y510 R511 G512 V513S432-D434 PolarHBondContact O-N 2.89Å; S432-D434 PolarHBondContact OG-N 2.97Å; D434-E436 VanDerWaalsContact C-N 3.32Å; D434-E436 PolarHBondContact O-N 2.82Å; D434-E436 PolarHBondContact OD1-N 3.01Å; D434-L437 HydrophobicContact CB-CB 4.16Å; D434-L437 HydrophobicContact CB-CD1 4.04Å; D434-L437 HydrophobicContact CB-CG 4.31Å; D434-L437 PolarHBondContact O-N 2.66Å; D434-L437 PolarHBondContact OD1-N 3.48Å; D434-L438 VanDerWaalsContact O-CG 3.32Å; D434-L438 WeakPolarHBondContact O-CG 3.46Å; D434-L438 PolarHBondContact O-N 3.09Å; D434-Y510 VanDerWaalsContact OD2-CA 3.25Å; D434-Y510 WeakPolarHBondContact OD2-CA 3.44Å; D434-R511 PolarHBondContact OD2-N 3.37Å; D434-G512 WeakPolarHBondContact OD2-CA 3.42Å; D434-G512 PolarHBondContact OD2-N 3.48Å; D434-V513 HydrophobicContact CB-CG2 4.36Å
435P90.6Very high87.7Confident94 Ų9445.1 Ų45.161%0.6124%0.238SC*.Hα-helixtrans-58.1-39-172.8-27.135000114.3R439P435-R439 VanDerWaalsContact O-CB 3.32Å; P435-R439 WeakPolarHBondContact O-CB 3.27Å; P435-R439 PolarHBondContact O-N 3.21Å
436E86.6Confident87Confident82 Ų8246.5 Ų46.538%0.38325%0.25SC..Hα-helixtrans-70.9-43.1180-73.3-55.8136.700111.1D434 L438 R439 V440 Y510D434-E436 VanDerWaalsContact C-N 3.32Å; D434-E436 PolarHBondContact O-N 2.82Å; D434-E436 PolarHBondContact OD1-N 3.01Å; E436-L438 VanDerWaalsContact C-N 3.35Å; E436-L438 PolarHBondContact O-N 3.38Å; E436-R439 PolarHBondContact O-N 3.02Å; E436-R439 IonicContact OE2-CZ 3.84Å; E436-R439 IonicContact OE2-NE 3.9Å; E436-R439 PolarHBondContact OE2-NE 3.33Å; E436-R439 IonicContact OE2-NH2 3.43Å; E436-R439 PolarHBondContact OE2-NH2 3.32Å; E436-V440 VanDerWaalsContact O-CG2 3.25Å; E436-V440 WeakPolarHBondContact O-CG2 3.43Å; E436-V440 PolarHBondContact O-N 2.97Å; E436-Y510 HydrophobicContact CB-CD1 4.18Å; E436-Y510 HydrophobicContact CB-CE1 3.93Å
437L87.4Confident86.4Confident4 Ų447.8 Ų47.82%0.02126%0.258CS..Hα-helixtrans-62.8-41.7175.4-75.2173.8000112.2L428 A429 D434 V440 F441 L452 Y510 V513L428-L437 HydrophobicContact CD2-CD1 3.87Å; L428-L437 HydrophobicContact CG-CD1 4.22Å; A429-L437 HydrophobicContact CB-CB 3.8Å; D434-L437 HydrophobicContact CB-CB 4.16Å; D434-L437 HydrophobicContact CB-CD1 4.04Å; D434-L437 HydrophobicContact CB-CG 4.31Å; D434-L437 PolarHBondContact O-N 2.66Å; D434-L437 PolarHBondContact OD1-N 3.48Å; L437-V440 PolarHBondContact O-N 3.11Å; L437-F441 VanDerWaalsContact O-CD2 3.22Å; L437-F441 WeakPolarHBondContact O-CD2 3.41Å; L437-F441 PolarHBondContact O-N 3.29Å; L437-L452 HydrophobicContact CD2-CD1 3.85Å; L437-L452 HydrophobicContact CD2-CD2 3.61Å; L437-L452 HydrophobicContact CD2-CG 4.3Å; L437-Y510 HydrophobicContact CG-CD1 4.31Å; L437-V513 HydrophobicContact CD1-CG2 3.43Å; L437-V513 VanDerWaalsContact CD1-CG2 3.43Å
438L91.1Very high85.8Confident38 Ų3848 Ų4820%0.19926%0.259CS..Hα-helixtrans-60.7-48.9175.9-69.4176.9000110.6A429 D434 E436 V440 F441 T442 K636 V637A429-L438 HydrophobicContact CB-CD2 4.3Å; D434-L438 VanDerWaalsContact O-CG 3.32Å; D434-L438 WeakPolarHBondContact O-CG 3.46Å; D434-L438 PolarHBondContact O-N 3.09Å; E436-L438 VanDerWaalsContact C-N 3.35Å; E436-L438 PolarHBondContact O-N 3.38Å; L438-V440 VanDerWaalsContact C-N 3.34Å; L438-V440 PolarHBondContact O-N 2.7Å; L438-F441 PolarHBondContact O-N 2.9Å; L438-T442 PolarHBondContact O-N 3.44Å; L438-T442 PolarHBondContact O-OG1 3.06Å; L438-K636 HydrophobicContact CD2-CB 3.9Å; L438-V637 HydrophobicContact CD2-CG1 3.5Å
439R88.8Confident85.4Confident121 Ų12148 Ų4846%0.45726%0.259SS..Hα-helixtrans-55.7-47.1178.4-173.2-173.767.174.80.1111.9P435 E436 F441 T442 D443P435-R439 VanDerWaalsContact O-CB 3.32Å; P435-R439 WeakPolarHBondContact O-CB 3.27Å; P435-R439 PolarHBondContact O-N 3.21Å; E436-R439 PolarHBondContact O-N 3.02Å; E436-R439 IonicContact OE2-CZ 3.84Å; E436-R439 IonicContact OE2-NE 3.9Å; E436-R439 PolarHBondContact OE2-NE 3.33Å; E436-R439 IonicContact OE2-NH2 3.43Å; E436-R439 PolarHBondContact OE2-NH2 3.32Å; R439-F441 VanDerWaalsContact C-N 3.3Å; R439-F441 PolarHBondContact O-N 3.15Å; R439-T442 PolarHBondContact O-N 3.38Å; R439-D443 PolarHBondContact O-N 3.33Å; R439-D443 VanDerWaalsContact O-N 3.17Å
440V87.6Confident84.8Confident4 Ų449.1 Ų49.12%0.02427%0.265CS..Hα-helixtrans-62.8-35.7-179.4171.60000112.4E436 L437 L438 A446 V448 V451E436-V440 VanDerWaalsContact O-CG2 3.25Å; E436-V440 WeakPolarHBondContact O-CG2 3.43Å; E436-V440 PolarHBondContact O-N 2.97Å; L437-V440 PolarHBondContact O-N 3.11Å; L438-V440 VanDerWaalsContact C-N 3.34Å; L438-V440 PolarHBondContact O-N 2.7Å; V440-A446 HydrophobicContact CG1-CB 4.28Å; V440-V448 HydrophobicContact CG1-CB 3.82Å; V440-V448 HydrophobicContact CG1-CG2 3.8Å; V440-V451 HydrophobicContact CG1-CB 4.4Å; V440-V451 HydrophobicContact CG2-CB 4.13Å; V440-V451 HydrophobicContact CG2-CG1 3.49Å; V440-V451 VanDerWaalsContact CG2-CG1 3.49Å
441F87.3Confident84Confident11 Ų1149.5 Ų49.55%0.04827%0.269CS..Hα-helixtrans-83.9-13.4177.6-76-59.2000114.6L425 R426 A429 L437 L438 R439 V448 V637 P638L425-F441 HydrophobicContact CB-CE2 3.97Å; L425-F441 HydrophobicContact CB-CZ 3.53Å; L425-F441 WeakPolarHBondContact O-CE2 3.39Å; R426-F441 HydrophobicContact CG-CD1 3.77Å; R426-F441 HydrophobicContact CG-CD2 4.4Å; R426-F441 HydrophobicContact CG-CE1 3.63Å; R426-F441 HydrophobicContact CG-CE2 4.29Å; R426-F441 HydrophobicContact CG-CG 4.16Å; R426-F441 HydrophobicContact CG-CZ 3.9Å; A429-F441 HydrophobicContact CB-CD2 3.73Å; A429-F441 HydrophobicContact CB-CE2 4.03Å; L437-F441 VanDerWaalsContact O-CD2 3.22Å; L437-F441 WeakPolarHBondContact O-CD2 3.41Å; L437-F441 PolarHBondContact O-N 3.29Å; L438-F441 PolarHBondContact O-N 2.9Å; R439-F441 VanDerWaalsContact C-N 3.3Å; R439-F441 PolarHBondContact O-N 3.15Å; F441-V448 HydrophobicContact CE1-CB 4.07Å; F441-V448 HydrophobicContact CE1-CG1 4.22Å; F441-V448 HydrophobicContact CE1-CG2 4.07Å; F441-V448 HydrophobicContact CE2-CG2 4.08Å; F441-V448 HydrophobicContact CZ-CB 4.11Å; F441-V448 HydrophobicContact CZ-CG1 4.27Å; F441-V448 HydrophobicContact CZ-CG2 3.61Å; F441-V637 HydrophobicContact CB-CB 4.11Å; F441-V637 HydrophobicContact CB-CG1 3.89Å; F441-V637 HydrophobicContact CD2-CG1 4.48Å; F441-P638 WeakPolarHBondContact O-CG 3.21Å
442T84.6Confident83.1Confident100 Ų10047.6 Ų47.661%0.61326%0.261SS*.Hα-helixtrans-81.9-26.1170.1-51.20000111.8L438 R439 P444L438-T442 PolarHBondContact O-N 3.44Å; L438-T442 PolarHBondContact O-OG1 3.06Å; R439-T442 PolarHBondContact O-N 3.38Å; T442-P444 WeakPolarHBondContact O-CD 3.47Å
443D82.5Confident82Confident70 Ų7049.2 Ų49.237%0.37427%0.265SS..  trans-80114.6173.8-173.1-17000110.8R439 Q445 A446R439-D443 PolarHBondContact O-N 3.33Å; R439-D443 VanDerWaalsContact O-N 3.17Å; D443-Q445 VanDerWaalsContact C-N 3.25Å; D443-Q445 PolarHBondContact O-N 3.46Å; D443-Q445 PolarHBondContact OD1-N 3.43Å; D443-A446 HydrophobicContact CB-CB 3.81Å; D443-A446 PolarHBondContact OD1-N 2.82Å
444P70.3Confident80.7Confident104 Ų10448.8 Ų48.868%0.67526%0.262SS*.SBendtrans-70.2-18.4-17828.1-33.7000114.1T442T442-P444 WeakPolarHBondContact O-CD 3.47Å
445Q70.4Confident79Confident171 Ų17153 Ų5380%0.79929%0.29SS*.SBendtrans-98.1-14.8-177.2-60-61-23.800113D443 D447D443-Q445 VanDerWaalsContact C-N 3.25Å; D443-Q445 PolarHBondContact O-N 3.46Å; D443-Q445 PolarHBondContact OD1-N 3.43Å; Q445-D447 PolarHBondContact O-N 3.5Å
446A72.9Confident77.3Confident29 Ų2952.3 Ų52.324%0.2428%0.275CS..  trans-72.5123.9-177.600000112.1V440 D443 V448 V451V440-A446 HydrophobicContact CG1-CB 4.28Å; D443-A446 HydrophobicContact CB-CB 3.81Å; D443-A446 PolarHBondContact OD1-N 2.82Å; A446-V448 PolarHBondContact O-N 3.43Å; A446-V451 HydrophobicContact CB-CG2 4.16Å
447D78.9Confident75.6Confident43 Ų4352.1 Ų52.123%0.2327%0.273CS..  trans-78.3110.6164.1-170.4-67.9000109.8Q445 F449 I450 V451 R469Q445-D447 PolarHBondContact O-N 3.5Å; D447-F449 PolarHBondContact O-N 3.25Å; D447-F449 WeakPolarHBondContact OD1-CB 3.43Å; D447-F449 PolarHBondContact OD1-N 2.88Å; D447-I450 HydrophobicContact CB-CB 4.04Å; D447-I450 HydrophobicContact CB-CD1 3.86Å; D447-I450 HydrophobicContact CB-CG1 3.91Å; D447-I450 PolarHBondContact O-N 3.38Å; D447-I450 VanDerWaalsContact O-N 3.15Å; D447-I450 PolarHBondContact OD1-N 3.31Å; D447-I450 VanDerWaalsContact OD1-N 3.15Å; D447-V451 WeakPolarHBondContact O-CG2 3.41Å; D447-V451 PolarHBondContact O-N 2.91Å; D447-R469 IonicContact OD1-NE 3.04Å; D447-R469 IonicContact OD1-NH2 2.93Å; D447-R469 IonicContact OD2-CZ 3.49Å; D447-R469 IonicContact OD2-NE 3.96Å; D447-R469 PolarHBondContact OD2-NE 3.4Å; D447-R469 IonicContact OD2-NH2 2.81Å; D447-R469 PolarHBondContact OD2-NH2 3.1Å
448V78.9Confident73.8Confident5 Ų559.5 Ų59.53%0.0332%0.318CS..Hα-helixtrans-55.4-37.6-177.264.70000113.3Q422 L425 V440 F441 A446 L452Q422-V448 HydrophobicContact CG-CG1 4.24Å; L425-V448 HydrophobicContact CD1-CG1 4.03Å; L425-V448 HydrophobicContact CD1-CG2 4.08Å; V440-V448 HydrophobicContact CG1-CB 3.82Å; V440-V448 HydrophobicContact CG1-CG2 3.8Å; F441-V448 HydrophobicContact CE1-CB 4.07Å; F441-V448 HydrophobicContact CE1-CG1 4.22Å; F441-V448 HydrophobicContact CE1-CG2 4.07Å; F441-V448 HydrophobicContact CE2-CG2 4.08Å; F441-V448 HydrophobicContact CZ-CB 4.11Å; F441-V448 HydrophobicContact CZ-CG1 4.27Å; F441-V448 HydrophobicContact CZ-CG2 3.61Å; A446-V448 PolarHBondContact O-N 3.43Å; V448-L452 HydrophobicContact CG2-CD1 3.59Å; V448-L452 HydrophobicContact CG2-CG 4.03Å; V448-L452 WeakPolarHBondContact O-CB 3.44Å; V448-L452 WeakPolarHBondContact O-CD1 3.46Å; V448-L452 WeakPolarHBondContact O-CG 3.36Å; V448-L452 PolarHBondContact O-N 2.94Å
449F82.8Confident72Confident2 Ų260.2 Ų60.21%0.00932%0.324CS..Hα-helixtrans-74.4-37-177.2-60.9-70.1000111.3Q422 L425 D447 Y453 A472 K473 V476 Y477Q422-F449 HydrophobicContact CG-CE2 3.76Å; Q422-F449 HydrophobicContact CG-CZ 4.02Å; L425-F449 HydrophobicContact CD1-CD1 4.13Å; L425-F449 HydrophobicContact CD1-CE1 3.41Å; L425-F449 VanDerWaalsContact CD1-CE1 3.41Å; L425-F449 HydrophobicContact CD1-CZ 3.73Å; D447-F449 PolarHBondContact O-N 3.25Å; D447-F449 WeakPolarHBondContact OD1-CB 3.43Å; D447-F449 PolarHBondContact OD1-N 2.88Å; F449-Y453 WeakPolarHBondContact O-CB 3.46Å; F449-Y453 PolarHBondContact O-N 3.38Å; F449-A472 HydrophobicContact CB-CB 4.42Å; F449-K473 VanDerWaalsContact CD1-CA 3.47Å; F449-K473 HydrophobicContact CD1-CB 3.74Å; F449-K473 HydrophobicContact CD1-CG 4Å; F449-K473 HydrophobicContact CD2-CB 4.38Å; F449-K473 HydrophobicContact CE1-CB 3.91Å; F449-K473 HydrophobicContact CE1-CD 4.4Å; F449-K473 HydrophobicContact CE1-CG 3.61Å; F449-K473 HydrophobicContact CE2-CD 4.18Å; F449-K473 HydrophobicContact CE2-CG 4.23Å; F449-K473 HydrophobicContact CG-CB 3.96Å; F449-K473 HydrophobicContact CG-CG 4.43Å; F449-K473 HydrophobicContact CZ-CB 4.33Å; F449-K473 HydrophobicContact CZ-CD 4.04Å; F449-K473 HydrophobicContact CZ-CG 3.75Å; F449-V476 HydrophobicContact CD1-CB 4.3Å; F449-V476 HydrophobicContact CD1-CG2 4.41Å; F449-Y477 HydrophobicContact CE1-CD2 4.35Å; F449-Y477 AromaticContact CE1-CE2 3.84Å; F449-Y477 HydrophobicContact CE1-CE2 3.84Å; F449-Y477 AromaticContact CE1-CZ 4Å; F449-Y477 AromaticContact CZ-CE2 3.88Å; F449-Y477 HydrophobicContact CZ-CE2 3.88Å; F449-Y477 AromaticContact CZ-CZ 3.91Å
450I77.4Confident70.7Confident23 Ų2359.4 Ų59.412%0.11833%0.329CS..Hα-helixtrans-68.4-49.4175.8-58.1180000109.7D447 L452 Y453 S454 V461 V464 R469D447-I450 HydrophobicContact CB-CB 4.04Å; D447-I450 HydrophobicContact CB-CD1 3.86Å; D447-I450 HydrophobicContact CB-CG1 3.91Å; D447-I450 PolarHBondContact O-N 3.38Å; D447-I450 VanDerWaalsContact O-N 3.15Å; D447-I450 PolarHBondContact OD1-N 3.31Å; D447-I450 VanDerWaalsContact OD1-N 3.15Å; I450-L452 VanDerWaalsContact C-N 3.3Å; I450-L452 PolarHBondContact O-N 3.12Å; I450-Y453 CarbonylContact O-C 3.59Å; I450-Y453 PolarHBondContact O-N 3.16Å; I450-S454 WeakPolarHBondContact O-CA 3.45Å; I450-S454 WeakPolarHBondContact O-CB 3.48Å; I450-S454 PolarHBondContact O-N 3.19Å; I450-V461 HydrophobicContact CG2-CG1 4.07Å; I450-V461 HydrophobicContact CG2-CG2 4.45Å; I450-V464 HydrophobicContact CD1-CB 4.05Å; I450-V464 HydrophobicContact CD1-CG1 3.84Å; I450-V464 HydrophobicContact CD1-CG2 4.47Å; I450-V464 HydrophobicContact CG1-CG1 4.03Å; I450-V464 HydrophobicContact CG2-CG2 3.92Å; I450-R469 HydrophobicContact CG1-CG 4.34Å
451V76.3Confident69.4Low35 Ų3562.7 Ų62.721%0.21235%0.349CS..Hα-helixtrans-63.8-35.8-179.7179.30000111.9V440 A446 D447 Y453 P455V440-V451 HydrophobicContact CG1-CB 4.4Å; V440-V451 HydrophobicContact CG2-CB 4.13Å; V440-V451 HydrophobicContact CG2-CG1 3.49Å; V440-V451 VanDerWaalsContact CG2-CG1 3.49Å; A446-V451 HydrophobicContact CB-CG2 4.16Å; D447-V451 WeakPolarHBondContact O-CG2 3.41Å; D447-V451 PolarHBondContact O-N 2.91Å; V451-Y453 PolarHBondContact O-N 3.1Å; V451-P455 WeakPolarHBondContact O-CD 3.22Å
452L73.8Confident68.4Low5 Ų569.2 Ų69.23%0.02638%0.384CS..Hα-helixtrans-71.5-20.8176.8-68.8176.6000113.5L437 V448 I450 V476 Y510L437-L452 HydrophobicContact CD2-CD1 3.85Å; L437-L452 HydrophobicContact CD2-CD2 3.61Å; L437-L452 HydrophobicContact CD2-CG 4.3Å; V448-L452 HydrophobicContact CG2-CD1 3.59Å; V448-L452 HydrophobicContact CG2-CG 4.03Å; V448-L452 WeakPolarHBondContact O-CB 3.44Å; V448-L452 WeakPolarHBondContact O-CD1 3.46Å; V448-L452 WeakPolarHBondContact O-CG 3.36Å; V448-L452 PolarHBondContact O-N 2.94Å; I450-L452 VanDerWaalsContact C-N 3.3Å; I450-L452 PolarHBondContact O-N 3.12Å; L452-V476 HydrophobicContact CB-CG2 3.91Å; L452-V476 HydrophobicContact CD1-CG1 3.78Å; L452-V476 HydrophobicContact CD1-CG2 4.18Å; L452-Y510 WeakPolarHBondContact CA-OH 3.17Å; L452-Y510 HydrophobicContact CD2-CD1 4.24Å; L452-Y510 HydrophobicContact CD2-CE1 3.34Å; L452-Y510 HydrophobicContact CD2-CE2 4.07Å; L452-Y510 WeakPolarHBondContact CD2-OH 3.43Å; L452-Y510 PolarHBondContact O-OH 3.49Å
453Y69Low67.6Low45 Ų4571.2 Ų71.218%0.17639%0.386CS..Hα-helixtrans-101.7-34.1-176.9-175.1-108.3000113.6F449 I450 V451 P455 R456 K457 A472 I475F449-Y453 WeakPolarHBondContact O-CB 3.46Å; F449-Y453 PolarHBondContact O-N 3.38Å; I450-Y453 CarbonylContact O-C 3.59Å; I450-Y453 PolarHBondContact O-N 3.16Å; V451-Y453 PolarHBondContact O-N 3.1Å; Y453-P455 VanDerWaalsContact C-CD 3.5Å; Y453-R456 PolarHBondContact O-N 3.45Å; Y453-K457 HydrophobicContact CE1-CB 4.36Å; Y453-K457 HydrophobicContact CE1-CD 3.73Å; Y453-K457 HydrophobicContact CE1-CG 4.01Å; Y453-K457 WeakPolarHBondContact OH-CE 3.14Å; Y453-A472 HydrophobicContact CD1-CB 4.04Å; Y453-A472 HydrophobicContact CD2-CB 4.15Å; Y453-A472 HydrophobicContact CG-CB 3.72Å; Y453-I475 HydrophobicContact CD2-CD1 4.21Å; Y453-I475 HydrophobicContact CE2-CD1 3.62Å
454S65.2Low67.1Low34 Ų3470 Ų7024%0.23838%0.381CS..G310 helixtrans-60.7-35.1-173.5171.20000115.4I450 R456 K457I450-S454 WeakPolarHBondContact O-CA 3.45Å; I450-S454 WeakPolarHBondContact O-CB 3.48Å; I450-S454 PolarHBondContact O-N 3.19Å; S454-R456 PolarHBondContact O-N 3.25Å; S454-K457 PolarHBondContact O-N 3.35Å
455P56.6Low67.5Low94 Ų9468 Ų6861%0.6137%0.367SS*.G310 helixtrans-58.31.6176.2-26.133.3000115.4V451 Y453V451-P455 WeakPolarHBondContact O-CD 3.22Å; Y453-P455 VanDerWaalsContact C-CD 3.5Å
456R55.9Low67.9Low78 Ų7865.2 Ų65.229%0.29436%0.364SS..G310 helixtrans-132.2-25-173.3-60-173.2178.7168.21115.2Y453 S454 S505 F506 T509Y453-R456 PolarHBondContact O-N 3.45Å; S454-R456 PolarHBondContact O-N 3.25Å; R456-S505 PolarHBondContact NH2-O 3.22Å; R456-S505 PolarHBondContact NH2-OG 3.04Å; R456-F506 VanDerWaalsContact NH1-CA 3.28Å; R456-F506 VanDerWaalsContact NH2-N 3.19Å; R456-T509 PolarHBondContact NH2-OG1 2.95Å
457K50.5Low68Low79 Ų7971.6 Ų71.634%0.34339%0.389SS..SBendtrans-96.1115.1163.3-102.4-161.6-173.4179.90104.7Y453 S454 V459 D468Y453-K457 HydrophobicContact CE1-CB 4.36Å; Y453-K457 HydrophobicContact CE1-CD 3.73Å; Y453-K457 HydrophobicContact CE1-CG 4.01Å; Y453-K457 WeakPolarHBondContact OH-CE 3.14Å; S454-K457 PolarHBondContact O-N 3.35Å; K457-V459 HydrophobicContact CB-CB 4.2Å; K457-V459 HydrophobicContact CB-CG2 3.9Å; K457-V459 HydrophobicContact CD-CG2 3.92Å; K457-V459 HydrophobicContact CG-CG2 4.25Å; K457-V459 PolarHBondContact O-N 3.14Å; K457-D468 IonicContact NZ-OD1 2.81Å; K457-D468 PolarHBondContact NZ-OD1 2.88Å
458V50.1Low67.8Low159 Ų15971.8 Ų71.896%0.96439%0.39SS*.  trans-6769.5167.8-175.10000107.5
459V53.4Low67.9Low53 Ų5375.3 Ų75.332%0.32140%0.403SS..  trans-136.6129.5-178.1179.30000105.4K457 E463K457-V459 HydrophobicContact CB-CB 4.2Å; K457-V459 HydrophobicContact CB-CG2 3.9Å; K457-V459 HydrophobicContact CD-CG2 3.92Å; K457-V459 HydrophobicContact CG-CG2 4.25Å; K457-V459 PolarHBondContact O-N 3.14Å; V459-E463 HydrophobicContact CG1-CB 3.95Å
460D59.4Low67.7Low104 Ų10478.3 Ų78.356%0.55642%0.417SS*.  trans-62.1145.9179.6-149.6-22000109.9D462 E463D460-D462 PolarHBondContact O-N 3.36Å; D460-D462 VanDerWaalsContact O-N 3.13Å; D460-E463 HydrophobicContact CB-CG 4.44Å; D460-E463 PolarHBondContact O-N 3.35Å; D460-E463 VanDerWaalsContact O-N 3.08Å
461V62.1Low67.6Low73 Ų7380.1 Ų80.144%0.44243%0.425SS..G310 helixtrans-59.5-28.6-177.3174.20000110.8I450 E463 V464I450-V461 HydrophobicContact CG2-CG1 4.07Å; I450-V461 HydrophobicContact CG2-CG2 4.45Å; V461-E463 VanDerWaalsContact C-N 3.34Å; V461-E463 PolarHBondContact O-N 3.13Å; V461-V464 WeakPolarHBondContact O-CG2 3.36Å
462D65.2Low67.8Low148 Ų14878.5 Ų78.579%0.79142%0.415SS*.G310 helixtrans-75.9-15.1-178.7-64.4-26.3000114.2D460D460-D462 PolarHBondContact O-N 3.36Å; D460-D462 VanDerWaalsContact O-N 3.13Å
463E68.2Low68.3Low141 Ų14181.4 Ų81.466%0.65943%0.427SS*.G310 helixtrans-96.44.7-179.6-65.6-171.7160.300113.5V459 D460 V461 T465V459-E463 HydrophobicContact CG1-CB 3.95Å; D460-E463 HydrophobicContact CB-CG 4.44Å; D460-E463 PolarHBondContact O-N 3.35Å; D460-E463 VanDerWaalsContact O-N 3.08Å; V461-E463 VanDerWaalsContact C-N 3.34Å; V461-E463 PolarHBondContact O-N 3.13Å; E463-T465 PolarHBondContact O-N 3.5Å
464V72.3Confident68.8Low45 Ų4585.7 Ų85.727%0.27344%0.443SS..  trans-78.7118.1-173.2-178.80000111.7I450 V461 D468 R469I450-V464 HydrophobicContact CD1-CB 4.05Å; I450-V464 HydrophobicContact CD1-CG1 3.84Å; I450-V464 HydrophobicContact CD1-CG2 4.47Å; I450-V464 HydrophobicContact CG1-CG1 4.03Å; I450-V464 HydrophobicContact CG2-CG2 3.92Å; V461-V464 WeakPolarHBondContact O-CG2 3.36Å; V464-D468 HydrophobicContact CG1-CB 3.82Å; V464-R469 HydrophobicContact CG1-CB 4.46Å
465T77.9Confident69.4Low62 Ų6284.1 Ų84.138%0.3843%0.432SS..  trans-74.8158.3176.471.40000112.4E463 E467 D468 R469E463-T465 PolarHBondContact O-N 3.5Å; T465-E467 PolarHBondContact O-N 3.42Å; T465-D468 PolarHBondContact N-OD2 3.45Å; T465-D468 WeakPolarHBondContact O-CB 3.36Å; T465-D468 PolarHBondContact O-N 2.89Å; T465-D468 VanDerWaalsContact O-N 3.15Å; T465-D468 VanDerWaalsContact OG1-CG 3.31Å; T465-D468 PolarHBondContact OG1-N 3.41Å; T465-D468 VanDerWaalsContact OG1-N 3.09Å; T465-D468 PolarHBondContact OG1-OD2 3.2Å; T465-R469 PolarHBondContact O-N 2.99Å
466P78.4Confident70.5Confident112 Ų11279.8 Ų79.873%0.72740%0.404SS*.Hα-helixtrans-56.6-32.2172.3-26.535.2000113.7E470P466-E470 PolarHBondContact O-N 2.84Å
467E76Confident71.7Confident164 Ų16478.5 Ų78.577%0.76640%0.399SS*.Hα-helixtrans-69.8-43.7176.4-64.3-176174.200111.6T465 R469 E470 H471T465-E467 PolarHBondContact O-N 3.42Å; E467-R469 VanDerWaalsContact C-N 3.29Å; E467-R469 PolarHBondContact O-N 3.23Å; E467-E470 PolarHBondContact O-N 3.32Å; E467-H471 WeakPolarHBondContact O-CB 2.81Å; E467-H471 PolarHBondContact O-N 3.37Å
468D74.3Confident73Confident46 Ų4675.2 Ų75.225%0.24639%0.386CS..Hα-helixtrans-59.1-42.5173.7-76.4-63.9000111.2K457 V464 T465 H471 A472K457-D468 IonicContact NZ-OD1 2.81Å; K457-D468 PolarHBondContact NZ-OD1 2.88Å; V464-D468 HydrophobicContact CG1-CB 3.82Å; T465-D468 PolarHBondContact N-OD2 3.45Å; T465-D468 WeakPolarHBondContact O-CB 3.36Å; T465-D468 PolarHBondContact O-N 2.89Å; T465-D468 VanDerWaalsContact O-N 3.15Å; T465-D468 VanDerWaalsContact OG1-CG 3.31Å; T465-D468 PolarHBondContact OG1-N 3.41Å; T465-D468 VanDerWaalsContact OG1-N 3.09Å; T465-D468 PolarHBondContact OG1-OD2 3.2Å; D468-H471 WeakPolarHBondContact O-CB 3.41Å; D468-H471 PolarHBondContact O-N 3.01Å; D468-A472 WeakPolarHBondContact O-CB 3.42Å; D468-A472 PolarHBondContact O-N 2.86Å
469R81.3Confident74.2Confident80 Ų8067.7 Ų67.730%0.30234%0.341SS..Hα-helixtrans-63-46.3177.5-174.9-174.8-179.4-92.30.4112.4D447 I450 V464 T465 E467 H471 A472 K473D447-R469 IonicContact OD1-NE 3.04Å; D447-R469 IonicContact OD1-NH2 2.93Å; D447-R469 IonicContact OD2-CZ 3.49Å; D447-R469 IonicContact OD2-NE 3.96Å; D447-R469 PolarHBondContact OD2-NE 3.4Å; D447-R469 IonicContact OD2-NH2 2.81Å; D447-R469 PolarHBondContact OD2-NH2 3.1Å; I450-R469 HydrophobicContact CG1-CG 4.34Å; V464-R469 HydrophobicContact CG1-CB 4.46Å; T465-R469 PolarHBondContact O-N 2.99Å; E467-R469 VanDerWaalsContact C-N 3.29Å; E467-R469 PolarHBondContact O-N 3.23Å; R469-H471 VanDerWaalsContact C-N 3.28Å; R469-H471 PolarHBondContact O-N 3.19Å; R469-A472 PolarHBondContact O-N 3.38Å; R469-K473 WeakPolarHBondContact O-CB 3.39Å; R469-K473 PolarHBondContact O-N 2.97Å
470E77.6Confident75Confident65 Ų6565.4 Ų65.430%0.30433%0.327SS..Hα-helixtrans-64.5-35.4176.6175.357.5-157.100111.3P466 E467 R474P466-E470 PolarHBondContact O-N 2.84Å; E467-E470 PolarHBondContact O-N 3.32Å; E470-R474 WeakPolarHBondContact O-CG 3.39Å; E470-R474 PolarHBondContact O-N 2.64Å; E470-R474 VanDerWaalsContact O-N 3.12Å; E470-R474 IonicContact OE1-CZ 2.57Å; E470-R474 IonicContact OE1-NE 2.61Å; E470-R474 PolarHBondContact OE1-NE 3.05Å; E470-R474 IonicContact OE1-NH2 3.07Å; E470-R474 PolarHBondContact OE1-NH2 3.45Å
471H76.9Confident75.5Confident61 Ų6161.1 Ų61.128%0.28230%0.303SS..Hα-helixtrans-64.3-48172.8-16881.5000111.9E467 D468 R469 K473 R474 I475 I491E467-H471 WeakPolarHBondContact O-CB 2.81Å; E467-H471 PolarHBondContact O-N 3.37Å; D468-H471 WeakPolarHBondContact O-CB 3.41Å; D468-H471 PolarHBondContact O-N 3.01Å; R469-H471 VanDerWaalsContact C-N 3.28Å; R469-H471 PolarHBondContact O-N 3.19Å; H471-K473 VanDerWaalsContact C-N 3.32Å; H471-K473 PolarHBondContact O-N 3.19Å; H471-R474 PolarHBondContact O-N 2.93Å; H471-R474 VanDerWaalsContact O-N 3.16Å; H471-I475 VanDerWaalsContact CD2-CD1 3.44Å; H471-I475 WeakPolarHBondContact CD2-CD1 3.26Å; H471-I475 WeakPolarHBondContact O-CG1 3.28Å; H471-I475 PolarHBondContact O-N 2.92Å; H471-I491 PolarHBondContact CE1-O 3.25Å
472A79.8Confident75.8Confident1 Ų158.9 Ų58.91%0.00829%0.294CS..Hα-helixtrans-56.6-45.3175.200000111.5F449 Y453 D468 R469 R474 I475 V476F449-A472 HydrophobicContact CB-CB 4.42Å; Y453-A472 HydrophobicContact CD1-CB 4.04Å; Y453-A472 HydrophobicContact CD2-CB 4.15Å; Y453-A472 HydrophobicContact CG-CB 3.72Å; D468-A472 WeakPolarHBondContact O-CB 3.42Å; D468-A472 PolarHBondContact O-N 2.86Å; R469-A472 PolarHBondContact O-N 3.38Å; A472-R474 PolarHBondContact O-N 3.13Å; A472-I475 WeakPolarHBondContact O-CB 3.44Å; A472-I475 PolarHBondContact O-N 3.26Å; A472-I475 VanDerWaalsContact O-N 3.1Å; A472-V476 WeakPolarHBondContact O-CG2 3.29Å; A472-V476 PolarHBondContact O-N 3.43Å
473K83.8Confident76Confident65 Ų6552.6 Ų52.628%0.28326%0.263SS..Hα-helixtrans-55-47.1174.7177.2175.8-179-171.60112.7F449 R469 H471 I475 V476 Y477F449-K473 VanDerWaalsContact CD1-CA 3.47Å; F449-K473 HydrophobicContact CD1-CB 3.74Å; F449-K473 HydrophobicContact CD1-CG 4Å; F449-K473 HydrophobicContact CD2-CB 4.38Å; F449-K473 HydrophobicContact CE1-CB 3.91Å; F449-K473 HydrophobicContact CE1-CD 4.4Å; F449-K473 HydrophobicContact CE1-CG 3.61Å; F449-K473 HydrophobicContact CE2-CD 4.18Å; F449-K473 HydrophobicContact CE2-CG 4.23Å; F449-K473 HydrophobicContact CG-CB 3.96Å; F449-K473 HydrophobicContact CG-CG 4.43Å; F449-K473 HydrophobicContact CZ-CB 4.33Å; F449-K473 HydrophobicContact CZ-CD 4.04Å; F449-K473 HydrophobicContact CZ-CG 3.75Å; R469-K473 WeakPolarHBondContact O-CB 3.39Å; R469-K473 PolarHBondContact O-N 2.97Å; H471-K473 VanDerWaalsContact C-N 3.32Å; H471-K473 PolarHBondContact O-N 3.19Å; K473-I475 VanDerWaalsContact C-N 3.3Å; K473-I475 PolarHBondContact O-N 2.57Å; K473-V476 PolarHBondContact O-N 3.25Å; K473-Y477 HydrophobicContact CD-CE2 4.2Å; K473-Y477 HydrophobicContact CG-CD2 3.69Å; K473-Y477 HydrophobicContact CG-CE2 3.56Å; K473-Y477 VanDerWaalsContact O-CD2 3.22Å; K473-Y477 WeakPolarHBondContact O-CD2 3.45Å; K473-Y477 PolarHBondContact O-N 2.89Å; K473-Y477 VanDerWaalsContact O-N 3.13Å
474R80Confident76.1Confident136 Ų13647 Ų4751%0.51324%0.243SC..Hα-helixtrans-62.8-37.5177.4-69.9171.3-172.1-177.14.5112.2E470 H471 A472 S478 I491E470-R474 WeakPolarHBondContact O-CG 3.39Å; E470-R474 PolarHBondContact O-N 2.64Å; E470-R474 VanDerWaalsContact O-N 3.12Å; E470-R474 IonicContact OE1-CZ 2.57Å; E470-R474 IonicContact OE1-NE 2.61Å; E470-R474 PolarHBondContact OE1-NE 3.05Å; E470-R474 IonicContact OE1-NH2 3.07Å; E470-R474 PolarHBondContact OE1-NH2 3.45Å; H471-R474 PolarHBondContact O-N 2.93Å; H471-R474 VanDerWaalsContact O-N 3.16Å; A472-R474 PolarHBondContact O-N 3.13Å; R474-S478 VanDerWaalsContact O-CB 3.23Å; R474-S478 WeakPolarHBondContact O-CB 3.25Å; R474-S478 PolarHBondContact O-N 3.35Å; R474-S478 PolarHBondContact O-OG 2.97Å; R474-I491 HydrophobicContact CB-CG2 3.99Å
475I77.8Confident76.2Confident1 Ų151 Ų511%0.00525%0.254CS..Hα-helixtrans-67.5-54.3177.7-66.9165.7000110.6Y453 H471 A472 K473 Y477 S478 V479 I491 L492 F502Y453-I475 HydrophobicContact CD2-CD1 4.21Å; Y453-I475 HydrophobicContact CE2-CD1 3.62Å; H471-I475 VanDerWaalsContact CD2-CD1 3.44Å; H471-I475 WeakPolarHBondContact CD2-CD1 3.26Å; H471-I475 WeakPolarHBondContact O-CG1 3.28Å; H471-I475 PolarHBondContact O-N 2.92Å; A472-I475 WeakPolarHBondContact O-CB 3.44Å; A472-I475 PolarHBondContact O-N 3.26Å; A472-I475 VanDerWaalsContact O-N 3.1Å; K473-I475 VanDerWaalsContact C-N 3.3Å; K473-I475 PolarHBondContact O-N 2.57Å; I475-Y477 VanDerWaalsContact C-N 3.32Å; I475-Y477 PolarHBondContact O-N 2.9Å; I475-S478 WeakPolarHBondContact O-CA 3.25Å; I475-S478 WeakPolarHBondContact O-CB 3.43Å; I475-S478 PolarHBondContact O-N 3.23Å; I475-V479 HydrophobicContact CG2-CG2 4.27Å; I475-V479 WeakPolarHBondContact O-CG2 3.45Å; I475-V479 PolarHBondContact O-N 3.41Å; I475-I491 HydrophobicContact CG1-CG2 4.03Å; I475-L492 HydrophobicContact CD1-CD2 3.44Å; I475-L492 VanDerWaalsContact CD1-CD2 3.44Å; I475-L492 HydrophobicContact CG1-CD2 3.7Å; I475-L492 HydrophobicContact CG1-CG 4.46Å; I475-L492 HydrophobicContact CG2-CD2 4.24Å; I475-F502 HydrophobicContact CG2-CD1 4.49Å; I475-F502 HydrophobicContact CG2-CE1 3.36Å; I475-F502 HydrophobicContact CG2-CZ 3.56Å
476V80Confident76.1Confident2 Ų255.4 Ų55.41%0.01227%0.27CS..Hα-helixtrans-53.4-52.2-178.1169.30000110L425 F449 L452 A472 K473 S478 V479 V480L425-V476 HydrophobicContact CD1-CG1 4.25Å; L425-V476 HydrophobicContact CD2-CG1 3.93Å; F449-V476 HydrophobicContact CD1-CB 4.3Å; F449-V476 HydrophobicContact CD1-CG2 4.41Å; L452-V476 HydrophobicContact CB-CG2 3.91Å; L452-V476 HydrophobicContact CD1-CG1 3.78Å; L452-V476 HydrophobicContact CD1-CG2 4.18Å; A472-V476 WeakPolarHBondContact O-CG2 3.29Å; A472-V476 PolarHBondContact O-N 3.43Å; K473-V476 PolarHBondContact O-N 3.25Å; V476-S478 VanDerWaalsContact C-N 3.33Å; V476-S478 PolarHBondContact O-N 2.79Å; V476-V479 PolarHBondContact O-N 2.61Å; V476-V480 HydrophobicContact CG1-CG2 4.22Å; V476-V480 WeakPolarHBondContact O-CB 3.49Å; V476-V480 VanDerWaalsContact O-CG2 3.24Å; V476-V480 WeakPolarHBondContact O-CG2 3.46Å; V476-V480 PolarHBondContact O-N 3.24Å
477Y80.1Confident75.9Confident51 Ų5158 Ų5820%0.227%0.265CS..Hα-helixtrans-63.3-37.5177.5-72-44.4000112.8L425 F449 K473 I475 V479 Y481L425-Y477 HydrophobicContact CD1-CE1 4.22Å; L425-Y477 HydrophobicContact CD2-CD1 4.17Å; L425-Y477 HydrophobicContact CD2-CE1 3.92Å; L425-Y477 HydrophobicContact CG-CD1 4.41Å; L425-Y477 HydrophobicContact CG-CE1 3.69Å; F449-Y477 HydrophobicContact CE1-CD2 4.35Å; F449-Y477 AromaticContact CE1-CE2 3.84Å; F449-Y477 HydrophobicContact CE1-CE2 3.84Å; F449-Y477 AromaticContact CE1-CZ 4Å; F449-Y477 AromaticContact CZ-CE2 3.88Å; F449-Y477 HydrophobicContact CZ-CE2 3.88Å; F449-Y477 AromaticContact CZ-CZ 3.91Å; K473-Y477 HydrophobicContact CD-CE2 4.2Å; K473-Y477 HydrophobicContact CG-CD2 3.69Å; K473-Y477 HydrophobicContact CG-CE2 3.56Å; K473-Y477 VanDerWaalsContact O-CD2 3.22Å; K473-Y477 WeakPolarHBondContact O-CD2 3.45Å; K473-Y477 PolarHBondContact O-N 2.89Å; K473-Y477 VanDerWaalsContact O-N 3.13Å; I475-Y477 VanDerWaalsContact C-N 3.32Å; I475-Y477 PolarHBondContact O-N 2.9Å; Y477-V479 VanDerWaalsContact C-N 3.34Å; Y477-V479 PolarHBondContact O-N 3.17Å; Y477-Y481 HydrophobicContact CD1-CD2 4.16Å; Y477-Y481 AromaticContact CD1-CE2 3.09Å; Y477-Y481 HydrophobicContact CD1-CE2 3.09Å; Y477-Y481 AromaticContact CD1-CZ 3.46Å; Y477-Y481 VanDerWaalsContact CD1-CZ 3.46Å; Y477-Y481 WeakPolarHBondContact CD1-OH 3.19Å; Y477-Y481 AromaticContact CE1-CE2 3.88Å; Y477-Y481 HydrophobicContact CE1-CE2 3.88Å; Y477-Y481 AromaticContact CE1-CZ 3.91Å; Y477-Y481 WeakPolarHBondContact CE1-OH 3.31Å; Y477-Y481 HydrophobicContact CG-CD2 4.41Å; Y477-Y481 AromaticContact CG-CE2 3.66Å; Y477-Y481 HydrophobicContact CG-CE2 3.66Å; Y477-Y481 VanDerWaalsContact O-CB 3.28Å; Y477-Y481 WeakPolarHBondContact O-CB 3.37Å; Y477-Y481 WeakPolarHBondContact O-CD2 3.25Å; Y477-Y481 PolarHBondContact O-N 2.87Å; Y477-Y481 VanDerWaalsContact O-N 3.13Å
478S78.5Confident76.1Confident11 Ų1150.2 Ų50.28%0.07723%0.229CC..Hα-helixtrans-64.5-39.5177-64.20000112.7R474 I475 V476 A483 I491R474-S478 VanDerWaalsContact O-CB 3.23Å; R474-S478 WeakPolarHBondContact O-CB 3.25Å; R474-S478 PolarHBondContact O-N 3.35Å; R474-S478 PolarHBondContact O-OG 2.97Å; I475-S478 WeakPolarHBondContact O-CA 3.25Å; I475-S478 WeakPolarHBondContact O-CB 3.43Å; I475-S478 PolarHBondContact O-N 3.23Å; V476-S478 VanDerWaalsContact C-N 3.33Å; V476-S478 PolarHBondContact O-N 2.79Å; S478-A483 WeakPolarHBondContact O-CB 3.37Å; S478-A483 PolarHBondContact O-N 3.48Å; S478-I491 WeakPolarHBondContact OG-CD1 3.32Å
479V75.6Confident76.2Confident1 Ų148.9 Ų48.91%0.00622%0.223CC..Hα-helixtrans-74.1-50-179.2176.60000111.6I475 V476 Y477 Y481 G482 L488 F502 Q503 F506I475-V479 HydrophobicContact CG2-CG2 4.27Å; I475-V479 WeakPolarHBondContact O-CG2 3.45Å; I475-V479 PolarHBondContact O-N 3.41Å; V476-V479 PolarHBondContact O-N 2.61Å; Y477-V479 VanDerWaalsContact C-N 3.34Å; Y477-V479 PolarHBondContact O-N 3.17Å; V479-Y481 PolarHBondContact O-N 2.96Å; V479-G482 PolarHBondContact O-N 3.24Å; V479-L488 HydrophobicContact CG2-CD1 3.87Å; V479-L488 HydrophobicContact CG2-CD2 3.96Å; V479-F502 HydrophobicContact CG2-CD1 4.18Å; V479-F502 HydrophobicContact CG2-CE1 3.87Å; V479-Q503 HydrophobicContact CG1-CG 4.21Å; V479-F506 HydrophobicContact CB-CD1 4.07Å; V479-F506 HydrophobicContact CB-CE1 4.31Å; V479-F506 HydrophobicContact CB-CG 4.28Å; V479-F506 HydrophobicContact CG1-CB 3.79Å; V479-F506 HydrophobicContact CG1-CD1 3.17Å; V479-F506 HydrophobicContact CG1-CD2 4.41Å; V479-F506 HydrophobicContact CG1-CE1 3.78Å; V479-F506 HydrophobicContact CG1-CG 3.54Å
480V70.9Confident75.7Confident4 Ų447 Ų472%0.02423%0.228CC..Hα-helixtrans-57.3-39-179.7170.40000111.1L428 V476 G482 F506L428-V480 HydrophobicContact CD1-CG1 3.82Å; L428-V480 HydrophobicContact CD2-CB 4.2Å; L428-V480 HydrophobicContact CD2-CG1 3.35Å; L428-V480 HydrophobicContact CD2-CG2 3.69Å; L428-V480 HydrophobicContact CG-CG1 4.13Å; V476-V480 HydrophobicContact CG1-CG2 4.22Å; V476-V480 WeakPolarHBondContact O-CB 3.49Å; V476-V480 VanDerWaalsContact O-CG2 3.24Å; V476-V480 WeakPolarHBondContact O-CG2 3.46Å; V476-V480 PolarHBondContact O-N 3.24Å; V480-G482 VanDerWaalsContact C-N 3.33Å; V480-G482 PolarHBondContact O-N 3.36Å; V480-F506 HydrophobicContact CG2-CE1 4.11Å; V480-F506 HydrophobicContact CG2-CZ 4.35Å
481Y69.4Low75.5Confident14 Ų1445.8 Ų45.86%0.05522%0.224CC..THydrogen-bonded Turntrans-94.916.7-173.8-51.8-43.1000114.2E424 Y477 V479 A483 V563 Q564E424-Y481 WeakPolarHBondContact CB-OH 3.47Å; E424-Y481 PolarHBondContact OE2-OH 3.45Å; Y477-Y481 HydrophobicContact CD1-CD2 4.16Å; Y477-Y481 AromaticContact CD1-CE2 3.09Å; Y477-Y481 HydrophobicContact CD1-CE2 3.09Å; Y477-Y481 AromaticContact CD1-CZ 3.46Å; Y477-Y481 VanDerWaalsContact CD1-CZ 3.46Å; Y477-Y481 WeakPolarHBondContact CD1-OH 3.19Å; Y477-Y481 AromaticContact CE1-CE2 3.88Å; Y477-Y481 HydrophobicContact CE1-CE2 3.88Å; Y477-Y481 AromaticContact CE1-CZ 3.91Å; Y477-Y481 WeakPolarHBondContact CE1-OH 3.31Å; Y477-Y481 HydrophobicContact CG-CD2 4.41Å; Y477-Y481 AromaticContact CG-CE2 3.66Å; Y477-Y481 HydrophobicContact CG-CE2 3.66Å; Y477-Y481 VanDerWaalsContact O-CB 3.28Å; Y477-Y481 WeakPolarHBondContact O-CB 3.37Å; Y477-Y481 WeakPolarHBondContact O-CD2 3.25Å; Y477-Y481 PolarHBondContact O-N 2.87Å; Y477-Y481 VanDerWaalsContact O-N 3.13Å; V479-Y481 PolarHBondContact O-N 2.96Å; Y481-A483 PolarHBondContact O-N 2.87Å; Y481-V563 HydrophobicContact CE1-CB 4.46Å; Y481-V563 HydrophobicContact CE1-CG1 3.85Å; Y481-Q564 HydrophobicContact CD1-CB 3.59Å; Y481-Q564 HydrophobicContact CD1-CG 3.85Å; Y481-Q564 HydrophobicContact CD2-CB 4.35Å; Y481-Q564 HydrophobicContact CD2-CG 3.67Å; Y481-Q564 HydrophobicContact CE1-CB 3.66Å; Y481-Q564 HydrophobicContact CE1-CG 3.95Å; Y481-Q564 HydrophobicContact CE2-CB 4.38Å; Y481-Q564 HydrophobicContact CE2-CG 3.74Å; Y481-Q564 HydrophobicContact CG-CB 3.99Å; Y481-Q564 HydrophobicContact CG-CG 3.75Å
482G68.6Low75.3Confident26 Ų2644.5 Ų44.527%0.26822%0.218SC..THydrogen-bonded Turntrans5935.717400000113.1V479 V480 G484V479-G482 PolarHBondContact O-N 3.24Å; V480-G482 VanDerWaalsContact C-N 3.33Å; V480-G482 PolarHBondContact O-N 3.36Å; G482-G484 PolarHBondContact O-N 3.41Å
483A68.6Low74.9Confident16 Ų1647.8 Ų47.813%0.13225%0.253CS..  trans-53.2131.3170.200000108.4S478 Y481 R485 R487S478-A483 WeakPolarHBondContact O-CB 3.37Å; S478-A483 PolarHBondContact O-N 3.48Å; Y481-A483 PolarHBondContact O-N 2.87Å; A483-R485 PolarHBondContact O-N 3.26Å; A483-R487 HydrophobicContact CB-CB 4.3Å; A483-R487 HydrophobicContact CB-CG 4.29Å
484G69.9Low74.5Confident24 Ų2447.1 Ų47.125%0.24725%0.254CS..  trans-53.4145.5179.300000111G482 E486 R487 L488G482-G484 PolarHBondContact O-N 3.41Å; G484-E486 PolarHBondContact O-N 2.89Å; G484-R487 WeakPolarHBondContact O-CA 3.32Å; G484-R487 WeakPolarHBondContact O-CB 3.22Å; G484-R487 PolarHBondContact O-N 3.11Å; G484-L488 PolarHBondContact O-N 3.5Å; G484-L488 VanDerWaalsContact O-N 3.16Å
485R75.9Confident74.3Confident130 Ų13044.3 Ų44.349%0.49125%0.249SC..Hα-helixtrans-49.2-33.3-175.7-63.7174.7176.5169.9-4.7113.2A483 L488 S489 V496 S500A483-R485 PolarHBondContact O-N 3.26Å; R485-L488 PolarHBondContact O-N 3.19Å; R485-S489 VanDerWaalsContact O-CB 3.26Å; R485-S489 WeakPolarHBondContact O-CB 3.29Å; R485-S489 PolarHBondContact O-N 2.93Å; R485-V496 HydrophobicContact CB-CG1 3.86Å; R485-S500 VanDerWaalsContact CZ-OG 3.23Å; R485-S500 PolarHBondContact NE-OG 3.44Å; R485-S500 VanDerWaalsContact NE-OG 3.12Å; R485-S500 PolarHBondContact NH2-OG 2.72Å
486E73.9Confident74.3Confident153 Ų15347.6 Ų47.672%0.71527%0.269SS*.Hα-helixtrans-66.2-37.1175.5-59.7167.816600113.9G484 G490G484-E486 PolarHBondContact O-N 2.89Å; E486-G490 PolarHBondContact O-N 3.39Å
487R76Confident74.4Confident167 Ų16753.8 Ų53.863%0.6330%0.298SS*.Hα-helixtrans-71.7-45.5175.8-178.5172178.31750.4109.8A483 G484 G490 I491A483-R487 HydrophobicContact CB-CB 4.3Å; A483-R487 HydrophobicContact CB-CG 4.29Å; G484-R487 WeakPolarHBondContact O-CA 3.32Å; G484-R487 WeakPolarHBondContact O-CB 3.22Å; G484-R487 PolarHBondContact O-N 3.11Å; R487-G490 PolarHBondContact O-N 3.36Å; R487-I491 HydrophobicContact CG-CD1 4.16Å; R487-I491 WeakPolarHBondContact O-CG1 3.32Å; R487-I491 PolarHBondContact O-N 3.02Å; R487-I491 VanDerWaalsContact O-N 3.13Å
488L79.1Confident74.3Confident0 Ų056.1 Ų56.10%031%0.31CS..Hα-helixtrans-62.1-45.7177.9-177.460.8000111.9V479 G484 R485 G490 I491 L492 A499 F502 Q503V479-L488 HydrophobicContact CG2-CD1 3.87Å; V479-L488 HydrophobicContact CG2-CD2 3.96Å; G484-L488 PolarHBondContact O-N 3.5Å; G484-L488 VanDerWaalsContact O-N 3.16Å; R485-L488 PolarHBondContact O-N 3.19Å; L488-G490 VanDerWaalsContact C-N 3.26Å; L488-G490 PolarHBondContact O-N 2.8Å; L488-I491 PolarHBondContact O-N 2.65Å; L488-L492 HydrophobicContact CD1-CD1 3.88Å; L488-L492 HydrophobicContact CD1-CG 4.09Å; L488-L492 HydrophobicContact CD2-CD1 4.39Å; L488-L492 HydrophobicContact CG-CD1 3.74Å; L488-L492 HydrophobicContact CG-CG 4.37Å; L488-L492 WeakPolarHBondContact O-CB 2.96Å; L488-L492 PolarHBondContact O-N 3.21Å; L488-A499 HydrophobicContact CB-CB 4.46Å; L488-A499 HydrophobicContact CD2-CB 4.44Å; L488-A499 WeakPolarHBondContact CD2-O 3.49Å; L488-A499 HydrophobicContact CG-CB 4.25Å; L488-F502 HydrophobicContact CD2-CD1 4.39Å; L488-Q503 HydrophobicContact CD2-CB 3.85Å
489S77.1Confident74.4Confident19 Ų1955.6 Ų55.613%0.13331%0.307CS..Hα-helixtrans-53.3-42.9172.31560000112.2R485 I491 G493 V494R485-S489 VanDerWaalsContact O-CB 3.26Å; R485-S489 WeakPolarHBondContact O-CB 3.29Å; R485-S489 PolarHBondContact O-N 2.93Å; S489-I491 VanDerWaalsContact C-N 3.32Å; S489-I491 PolarHBondContact O-N 2.92Å; S489-G493 WeakPolarHBondContact O-CA 3.11Å; S489-G493 PolarHBondContact O-N 3.1Å; S489-V494 WeakPolarHBondContact CB-O 3.21Å; S489-V494 PolarHBondContact O-N 3.06Å; S489-V494 PolarHBondContact OG-O 3.23Å
490G70.9Confident74.7Confident39 Ų3956.2 Ų56.240%0.40231%0.311SS..Hα-helixtrans-70-25.5177.700000114.9E486 R487 L488E486-G490 PolarHBondContact O-N 3.39Å; R487-G490 PolarHBondContact O-N 3.36Å; L488-G490 VanDerWaalsContact C-N 3.26Å; L488-G490 PolarHBondContact O-N 2.8Å
491I73.8Confident75.4Confident41 Ų4164.3 Ų64.321%0.2134%0.341CS..Hα-helixtrans-80.7-44.2176.9-68.4168.6000109.6H471 R474 I475 S478 R487 L488 S489 G493H471-I491 PolarHBondContact CE1-O 3.25Å; R474-I491 HydrophobicContact CB-CG2 3.99Å; I475-I491 HydrophobicContact CG1-CG2 4.03Å; S478-I491 WeakPolarHBondContact OG-CD1 3.32Å; R487-I491 HydrophobicContact CG-CD1 4.16Å; R487-I491 WeakPolarHBondContact O-CG1 3.32Å; R487-I491 PolarHBondContact O-N 3.02Å; R487-I491 VanDerWaalsContact O-N 3.13Å; L488-I491 PolarHBondContact O-N 2.65Å; S489-I491 VanDerWaalsContact C-N 3.32Å; S489-I491 PolarHBondContact O-N 2.92Å; I491-G493 VanDerWaalsContact C-N 3.3Å; I491-G493 PolarHBondContact O-N 3.09Å
492L72.3Confident76Confident33 Ų3365.6 Ų65.617%0.17335%0.347CS..Hα-helixtrans-72.9-18.8178.5-71.9171.9000113.6I475 L488 V494 A499 F502I475-L492 HydrophobicContact CD1-CD2 3.44Å; I475-L492 VanDerWaalsContact CD1-CD2 3.44Å; I475-L492 HydrophobicContact CG1-CD2 3.7Å; I475-L492 HydrophobicContact CG1-CG 4.46Å; I475-L492 HydrophobicContact CG2-CD2 4.24Å; L488-L492 HydrophobicContact CD1-CD1 3.88Å; L488-L492 HydrophobicContact CD1-CG 4.09Å; L488-L492 HydrophobicContact CD2-CD1 4.39Å; L488-L492 HydrophobicContact CG-CD1 3.74Å; L488-L492 HydrophobicContact CG-CG 4.37Å; L488-L492 WeakPolarHBondContact O-CB 2.96Å; L488-L492 PolarHBondContact O-N 3.21Å; L492-V494 HydrophobicContact CB-CB 4.42Å; L492-V494 HydrophobicContact CB-CG1 4.25Å; L492-V494 HydrophobicContact CB-CG2 3.61Å; L492-V494 HydrophobicContact CD1-CG2 3.97Å; L492-V494 HydrophobicContact CG-CG2 4.46Å; L492-V494 PolarHBondContact O-N 3.36Å; L492-A499 HydrophobicContact CD1-CB 4.25Å; L492-F502 HydrophobicContact CD1-CB 4.13Å; L492-F502 HydrophobicContact CD1-CD1 3.83Å; L492-F502 HydrophobicContact CD1-CE1 4.43Å; L492-F502 HydrophobicContact CD1-CG 3.89Å; L492-F502 HydrophobicContact CD2-CE1 4.41Å; L492-F502 HydrophobicContact CD2-CZ 4.42Å
493G70.8Confident76.7Confident71 Ų7165.8 Ų65.873%0.73234%0.341SS*.THydrogen-bonded Turntrans73.110.7-173.400000114.5S489 I491S489-G493 WeakPolarHBondContact O-CA 3.11Å; S489-G493 PolarHBondContact O-N 3.1Å; I491-G493 VanDerWaalsContact C-N 3.3Å; I491-G493 PolarHBondContact O-N 3.09Å
494V74.8Confident77.4Confident51 Ų5168.3 Ų68.331%0.30935%0.353SS..SBendtrans-105171.1-175.5-57.70000112.1S489 L492 Q498 A499S489-V494 WeakPolarHBondContact CB-O 3.21Å; S489-V494 PolarHBondContact O-N 3.06Å; S489-V494 PolarHBondContact OG-O 3.23Å; L492-V494 HydrophobicContact CB-CB 4.42Å; L492-V494 HydrophobicContact CB-CG1 4.25Å; L492-V494 HydrophobicContact CB-CG2 3.61Å; L492-V494 HydrophobicContact CD1-CG2 3.97Å; L492-V494 HydrophobicContact CG-CG2 4.46Å; L492-V494 PolarHBondContact O-N 3.36Å; V494-Q498 HydrophobicContact CB-CB 3.95Å; V494-Q498 HydrophobicContact CG2-CB 3.88Å; V494-A499 HydrophobicContact CG2-CB 4.05Å
495N76.8Confident78Confident76 Ų7669.4 Ų69.441%0.40636%0.356SS..  trans-71.5165.3175.373.835.4000112.1E497 Q498 A499N495-E497 VanDerWaalsContact C-N 3.29Å; N495-E497 PolarHBondContact O-N 3.09Å; N495-E497 PolarHBondContact OD1-N 3.43Å; N495-Q498 VanDerWaalsContact CG-OE1 3.31Å; N495-Q498 PolarHBondContact ND2-OE1 3.03Å; N495-Q498 PolarHBondContact O-N 3.18Å; N495-Q498 VanDerWaalsContact OD1-CB 3.3Å; N495-Q498 WeakPolarHBondContact OD1-CB 3.48Å; N495-Q498 VanDerWaalsContact OD1-CG 3.25Å; N495-Q498 WeakPolarHBondContact OD1-CG 3.33Å; N495-Q498 PolarHBondContact OD1-N 3.01Å; N495-A499 WeakPolarHBondContact O-CB 3.41Å; N495-A499 PolarHBondContact O-N 3.09Å
496V77.9Confident78.4Confident70 Ų7063.5 Ų63.542%0.42433%0.334SS..Hα-helixtrans-63.4-34.3-175.1179.70000112.4R485 A499 S500R485-V496 HydrophobicContact CB-CG1 3.86Å; V496-A499 PolarHBondContact O-N 3.26Å; V496-S500 PolarHBondContact O-N 2.87Å
497E82.1Confident78.8Confident133 Ų13357.2 Ų57.262%0.62131%0.305SS*.Hα-helixtrans-68.4-45.4178.4-65.9175.8-172.200111.6N495 A499 S500 R501N495-E497 VanDerWaalsContact C-N 3.29Å; N495-E497 PolarHBondContact O-N 3.09Å; N495-E497 PolarHBondContact OD1-N 3.43Å; E497-A499 VanDerWaalsContact C-N 3.32Å; E497-A499 PolarHBondContact O-N 3.17Å; E497-S500 WeakPolarHBondContact O-CB 3.28Å; E497-S500 PolarHBondContact O-N 2.88Å; E497-R501 WeakPolarHBondContact O-CG 3.35Å; E497-R501 PolarHBondContact O-N 3.5Å
498Q78.2Confident79.3Confident99 Ų9955.3 Ų55.346%0.46330%0.304SS..Hα-helixtrans-61.6-41.1174.2-74.3170.4-31.800111V494 N495 S500 R501 F502V494-Q498 HydrophobicContact CB-CB 3.95Å; V494-Q498 HydrophobicContact CG2-CB 3.88Å; N495-Q498 VanDerWaalsContact CG-OE1 3.31Å; N495-Q498 PolarHBondContact ND2-OE1 3.03Å; N495-Q498 PolarHBondContact O-N 3.18Å; N495-Q498 VanDerWaalsContact OD1-CB 3.3Å; N495-Q498 WeakPolarHBondContact OD1-CB 3.48Å; N495-Q498 VanDerWaalsContact OD1-CG 3.25Å; N495-Q498 WeakPolarHBondContact OD1-CG 3.33Å; N495-Q498 PolarHBondContact OD1-N 3.01Å; Q498-S500 VanDerWaalsContact C-N 3.34Å; Q498-S500 PolarHBondContact O-N 3.38Å; Q498-R501 PolarHBondContact O-N 3.37Å; Q498-F502 WeakPolarHBondContact O-CB 3.16Å; Q498-F502 PolarHBondContact O-N 3.5Å
499A79.9Confident79.5Confident0 Ų058.4 Ų58.40%032%0.323CS..Hα-helixtrans-63.9-37.8174.600000112.4L488 L492 V494 N495 V496 E497 F502 Q503L488-A499 HydrophobicContact CB-CB 4.46Å; L488-A499 HydrophobicContact CD2-CB 4.44Å; L488-A499 WeakPolarHBondContact CD2-O 3.49Å; L488-A499 HydrophobicContact CG-CB 4.25Å; L492-A499 HydrophobicContact CD1-CB 4.25Å; V494-A499 HydrophobicContact CG2-CB 4.05Å; N495-A499 WeakPolarHBondContact O-CB 3.41Å; N495-A499 PolarHBondContact O-N 3.09Å; V496-A499 PolarHBondContact O-N 3.26Å; E497-A499 VanDerWaalsContact C-N 3.32Å; E497-A499 PolarHBondContact O-N 3.17Å; A499-F502 PolarHBondContact O-N 3.43Å; A499-Q503 WeakPolarHBondContact O-CB 3.19Å; A499-Q503 PolarHBondContact O-N 3.3Å
500S82.4Confident79.9Confident14 Ų1457.9 Ų57.910%0.09832%0.318CS..Hα-helixtrans-64.1-50.3173.4-166.10000111R485 V496 E497 Q498 F502 Q503 D504R485-S500 VanDerWaalsContact CZ-OG 3.23Å; R485-S500 PolarHBondContact NE-OG 3.44Å; R485-S500 VanDerWaalsContact NE-OG 3.12Å; R485-S500 PolarHBondContact NH2-OG 2.72Å; V496-S500 PolarHBondContact O-N 2.87Å; E497-S500 WeakPolarHBondContact O-CB 3.28Å; E497-S500 PolarHBondContact O-N 2.88Å; Q498-S500 VanDerWaalsContact C-N 3.34Å; Q498-S500 PolarHBondContact O-N 3.38Å; S500-F502 PolarHBondContact O-N 2.91Å; S500-Q503 WeakPolarHBondContact O-CB 3.24Å; S500-Q503 PolarHBondContact O-N 3.33Å; S500-D504 PolarHBondContact O-N 2.94Å; S500-D504 VanDerWaalsContact O-OD2 3.1Å; S500-D504 PolarHBondContact OG-OD2 3.16Å
501R84.4Confident80.7Confident174 Ų17465 Ų6566%0.65733%0.333SS*.Hα-helixtrans-57.7-38.3177.4-68.9179.4-170172.65.2111.6E497 Q498 S505E497-R501 WeakPolarHBondContact O-CG 3.35Å; E497-R501 PolarHBondContact O-N 3.5Å; Q498-R501 PolarHBondContact O-N 3.37Å; R501-S505 VanDerWaalsContact O-CB 3.23Å; R501-S505 WeakPolarHBondContact O-CB 3.48Å; R501-S505 PolarHBondContact O-N 2.95Å
502F82.4Confident81.6Confident42 Ų4263.8 Ų63.818%0.18433%0.33CS..Hα-helixtrans-63.2-47.4174.9-178.8-88.1000112.1I475 V479 L488 L492 Q498 A499 S500 S505 F506I475-F502 HydrophobicContact CG2-CD1 4.49Å; I475-F502 HydrophobicContact CG2-CE1 3.36Å; I475-F502 HydrophobicContact CG2-CZ 3.56Å; V479-F502 HydrophobicContact CG2-CD1 4.18Å; V479-F502 HydrophobicContact CG2-CE1 3.87Å; L488-F502 HydrophobicContact CD2-CD1 4.39Å; L492-F502 HydrophobicContact CD1-CB 4.13Å; L492-F502 HydrophobicContact CD1-CD1 3.83Å; L492-F502 HydrophobicContact CD1-CE1 4.43Å; L492-F502 HydrophobicContact CD1-CG 3.89Å; L492-F502 HydrophobicContact CD2-CE1 4.41Å; L492-F502 HydrophobicContact CD2-CZ 4.42Å; Q498-F502 WeakPolarHBondContact O-CB 3.16Å; Q498-F502 PolarHBondContact O-N 3.5Å; A499-F502 PolarHBondContact O-N 3.43Å; S500-F502 PolarHBondContact O-N 2.91Å; F502-S505 PolarHBondContact O-N 2.91Å; F502-F506 WeakPolarHBondContact O-CB 3.25Å; F502-F506 PolarHBondContact O-N 3.43Å
503Q83.2Confident82.4Confident29 Ų2962.3 Ų62.314%0.13632%0.323CS..Hα-helixtrans-60.8-46.7176.7-179.9173.310.600111.4V479 L488 A499 S500 F506 L507V479-Q503 HydrophobicContact CG1-CG 4.21Å; L488-Q503 HydrophobicContact CD2-CB 3.85Å; A499-Q503 WeakPolarHBondContact O-CB 3.19Å; A499-Q503 PolarHBondContact O-N 3.3Å; S500-Q503 WeakPolarHBondContact O-CB 3.24Å; S500-Q503 PolarHBondContact O-N 3.33Å; Q503-F506 WeakPolarHBondContact O-CB 3.48Å; Q503-F506 PolarHBondContact O-N 3.38Å; Q503-L507 HydrophobicContact CG-CD1 4.18Å; Q503-L507 WeakPolarHBondContact O-CG 3.26Å; Q503-L507 PolarHBondContact O-N 2.76Å
504D83.7Confident83.2Confident70 Ų7062.2 Ų62.237%0.37430%0.303SS..Hα-helixtrans-63.3-45.7-179.2-62.4-31.2000110.3S500 F506 L507 Q508S500-D504 PolarHBondContact O-N 2.94Å; S500-D504 VanDerWaalsContact O-OD2 3.1Å; S500-D504 PolarHBondContact OG-OD2 3.16Å; D504-F506 PolarHBondContact O-N 2.9Å; D504-L507 PolarHBondContact O-N 3.43Å; D504-Q508 WeakPolarHBondContact O-CB 3.43Å; D504-Q508 VanDerWaalsContact O-CG 3.25Å; D504-Q508 WeakPolarHBondContact O-CG 3.42Å; D504-Q508 PolarHBondContact O-N 2.77Å
505S83.3Confident84Confident46 Ų4661.9 Ų61.932%0.32231%0.306SS..Hα-helixtrans-60.6-41.9173.6177.10000112R456 R501 F502 Q508 T509R456-S505 PolarHBondContact NH2-O 3.22Å; R456-S505 PolarHBondContact NH2-OG 3.04Å; R501-S505 VanDerWaalsContact O-CB 3.23Å; R501-S505 WeakPolarHBondContact O-CB 3.48Å; R501-S505 PolarHBondContact O-N 2.95Å; F502-S505 PolarHBondContact O-N 2.91Å; S505-Q508 PolarHBondContact O-N 2.85Å; S505-T509 PolarHBondContact O-N 2.86Å; S505-T509 PolarHBondContact O-OG1 3.31Å
506F82.6Confident84.8Confident6 Ų658.9 Ų58.93%0.02629%0.289CS..Hα-helixtrans-58.1-50.7175.7-171.4-85.6000111.9R456 V479 V480 F502 Q503 D504 Q508 T509 Y510R456-F506 VanDerWaalsContact NH1-CA 3.28Å; R456-F506 VanDerWaalsContact NH2-N 3.19Å; V479-F506 HydrophobicContact CB-CD1 4.07Å; V479-F506 HydrophobicContact CB-CE1 4.31Å; V479-F506 HydrophobicContact CB-CG 4.28Å; V479-F506 HydrophobicContact CG1-CB 3.79Å; V479-F506 HydrophobicContact CG1-CD1 3.17Å; V479-F506 HydrophobicContact CG1-CD2 4.41Å; V479-F506 HydrophobicContact CG1-CE1 3.78Å; V479-F506 HydrophobicContact CG1-CG 3.54Å; V480-F506 HydrophobicContact CG2-CE1 4.11Å; V480-F506 HydrophobicContact CG2-CZ 4.35Å; F502-F506 WeakPolarHBondContact O-CB 3.25Å; F502-F506 PolarHBondContact O-N 3.43Å; Q503-F506 WeakPolarHBondContact O-CB 3.48Å; Q503-F506 PolarHBondContact O-N 3.38Å; D504-F506 PolarHBondContact O-N 2.9Å; F506-Q508 VanDerWaalsContact C-N 3.27Å; F506-Q508 PolarHBondContact O-N 3.42Å; F506-T509 PolarHBondContact O-N 3.11Å; F506-Y510 AromaticContact CD1-CD2 3.76Å; F506-Y510 HydrophobicContact CD1-CD2 3.76Å; F506-Y510 HydrophobicContact CD1-CE2 4.36Å; F506-Y510 HydrophobicContact CD2-CD2 4.05Å; F506-Y510 AromaticContact CD2-CE2 3.81Å; F506-Y510 HydrophobicContact CD2-CE2 3.81Å; F506-Y510 AromaticContact CE1-CD2 3.53Å; F506-Y510 HydrophobicContact CE1-CD2 3.53Å; F506-Y510 HydrophobicContact CE1-CE2 4.07Å; F506-Y510 HydrophobicContact CE1-CG 4.4Å; F506-Y510 AromaticContact CE2-CD2 3.81Å; F506-Y510 HydrophobicContact CE2-CD2 3.81Å; F506-Y510 AromaticContact CE2-CE2 3.45Å; F506-Y510 HydrophobicContact CE2-CE2 3.45Å; F506-Y510 VanDerWaalsContact CE2-CE2 3.45Å; F506-Y510 HydrophobicContact CG-CD2 4.03Å; F506-Y510 HydrophobicContact CG-CE2 4.26Å; F506-Y510 AromaticContact CZ-CD2 3.55Å; F506-Y510 HydrophobicContact CZ-CD2 3.55Å; F506-Y510 AromaticContact CZ-CE2 3.6Å; F506-Y510 HydrophobicContact CZ-CE2 3.6Å; F506-Y510 VanDerWaalsContact O-CD2 3.23Å; F506-Y510 WeakPolarHBondContact O-CD2 3.41Å; F506-Y510 PolarHBondContact O-N 3.43Å
507L83.4Confident85.3Confident21 Ų2157.1 Ų57.111%0.1128%0.277CS..Hα-helixtrans-67.9-28180-66.4175.5000112.6Q503 D504 Y510 R511 V513 Q514 I517Q503-L507 HydrophobicContact CG-CD1 4.18Å; Q503-L507 WeakPolarHBondContact O-CG 3.26Å; Q503-L507 PolarHBondContact O-N 2.76Å; D504-L507 PolarHBondContact O-N 3.43Å; L507-Y510 CarbonylContact O-C 3.58Å; L507-Y510 VanDerWaalsContact O-C 3.27Å; L507-R511 PolarHBondContact O-N 3.06Å; L507-V513 HydrophobicContact CD2-CG1 4.18Å; L507-Q514 HydrophobicContact CB-CB 4.18Å; L507-Q514 HydrophobicContact CB-CG 4.34Å; L507-Q514 HydrophobicContact CD2-CB 4.49Å; L507-Q514 PolarHBondContact O-OE1 2.83Å; L507-I517 HydrophobicContact CD2-CD1 4.26Å
508Q85.4Confident85.7Confident127 Ų12755.7 Ų55.759%0.59327%0.27SS*.Hα-helixtrans-69.9-34.1172.3-77.3175.5-0.900113.6D504 S505 F506 R511D504-Q508 WeakPolarHBondContact O-CB 3.43Å; D504-Q508 VanDerWaalsContact O-CG 3.25Å; D504-Q508 WeakPolarHBondContact O-CG 3.42Å; D504-Q508 PolarHBondContact O-N 2.77Å; S505-Q508 PolarHBondContact O-N 2.85Å; F506-Q508 VanDerWaalsContact C-N 3.27Å; F506-Q508 PolarHBondContact O-N 3.42Å; Q508-R511 WeakPolarHBondContact O-CG 3.5Å; Q508-R511 PolarHBondContact O-NE 3.36Å
509T83.2Confident86.5Confident66 Ų6658.6 Ų58.641%0.40528%0.277SS..Hα-helixtrans-69.3-49.1172.3-590000110.1R456 S505 F506 R511R456-T509 PolarHBondContact NH2-OG1 2.95Å; S505-T509 PolarHBondContact O-N 2.86Å; S505-T509 PolarHBondContact O-OG1 3.31Å; F506-T509 PolarHBondContact O-N 3.11Å; T509-R511 PolarHBondContact O-N 2.87Å
510Y85.8Confident87Confident8 Ų858.9 Ų58.93%0.03128%0.279CS..SBendtrans-98.967.9-178.8-53.7-72.6000111.2D434 E436 L437 L452 F506 L507 G512 V513 Q514D434-Y510 VanDerWaalsContact OD2-CA 3.25Å; D434-Y510 WeakPolarHBondContact OD2-CA 3.44Å; E436-Y510 HydrophobicContact CB-CD1 4.18Å; E436-Y510 HydrophobicContact CB-CE1 3.93Å; L437-Y510 HydrophobicContact CG-CD1 4.31Å; L452-Y510 WeakPolarHBondContact CA-OH 3.17Å; L452-Y510 HydrophobicContact CD2-CD1 4.24Å; L452-Y510 HydrophobicContact CD2-CE1 3.34Å; L452-Y510 HydrophobicContact CD2-CE2 4.07Å; L452-Y510 WeakPolarHBondContact CD2-OH 3.43Å; L452-Y510 PolarHBondContact O-OH 3.49Å; F506-Y510 AromaticContact CD1-CD2 3.76Å; F506-Y510 HydrophobicContact CD1-CD2 3.76Å; F506-Y510 HydrophobicContact CD1-CE2 4.36Å; F506-Y510 HydrophobicContact CD2-CD2 4.05Å; F506-Y510 AromaticContact CD2-CE2 3.81Å; F506-Y510 HydrophobicContact CD2-CE2 3.81Å; F506-Y510 AromaticContact CE1-CD2 3.53Å; F506-Y510 HydrophobicContact CE1-CD2 3.53Å; F506-Y510 HydrophobicContact CE1-CE2 4.07Å; F506-Y510 HydrophobicContact CE1-CG 4.4Å; F506-Y510 AromaticContact CE2-CD2 3.81Å; F506-Y510 HydrophobicContact CE2-CD2 3.81Å; F506-Y510 AromaticContact CE2-CE2 3.45Å; F506-Y510 HydrophobicContact CE2-CE2 3.45Å; F506-Y510 VanDerWaalsContact CE2-CE2 3.45Å; F506-Y510 HydrophobicContact CG-CD2 4.03Å; F506-Y510 HydrophobicContact CG-CE2 4.26Å; F506-Y510 AromaticContact CZ-CD2 3.55Å; F506-Y510 HydrophobicContact CZ-CD2 3.55Å; F506-Y510 AromaticContact CZ-CE2 3.6Å; F506-Y510 HydrophobicContact CZ-CE2 3.6Å; F506-Y510 VanDerWaalsContact O-CD2 3.23Å; F506-Y510 WeakPolarHBondContact O-CD2 3.41Å; F506-Y510 PolarHBondContact O-N 3.43Å; L507-Y510 CarbonylContact O-C 3.58Å; L507-Y510 VanDerWaalsContact O-C 3.27Å; Y510-G512 PolarHBondContact O-N 3.16Å; Y510-V513 WeakPolarHBondContact O-CB 3.42Å; Y510-V513 PolarHBondContact O-N 3.26Å; Y510-Q514 PolarHBondContact O-N 3.46Å
511R89.4Confident87.5Confident188 Ų18860 Ų6071%0.70928%0.283SS*.Hα-helixtrans-60.9-31.5-173.8-62.5-172.7-177.6175.1-0.3113.1D434 L507 Q508 T509 V513 Q514 A515D434-R511 PolarHBondContact OD2-N 3.37Å; L507-R511 PolarHBondContact O-N 3.06Å; Q508-R511 WeakPolarHBondContact O-CG 3.5Å; Q508-R511 PolarHBondContact O-NE 3.36Å; T509-R511 PolarHBondContact O-N 2.87Å; R511-V513 VanDerWaalsContact C-N 3.29Å; R511-V513 PolarHBondContact O-N 3.13Å; R511-Q514 PolarHBondContact O-N 2.85Å; R511-A515 WeakPolarHBondContact O-CB 3.46Å; R511-A515 PolarHBondContact O-N 3.02Å
512G91.1Very high87.9Confident16 Ų1658 Ų5817%0.16528%0.281CS..Hα-helixtrans-63.1-38.4176.100000111.5D434 Y510 A515 F516D434-G512 WeakPolarHBondContact OD2-CA 3.42Å; D434-G512 PolarHBondContact OD2-N 3.48Å; Y510-G512 PolarHBondContact O-N 3.16Å; G512-A515 PolarHBondContact O-N 3.5Å; G512-F516 WeakPolarHBondContact O-CB 3.43Å; G512-F516 PolarHBondContact O-N 2.93Å
513V88.8Confident88.4Confident1 Ų159.3 Ų59.31%0.00629%0.288CS..Hα-helixtrans-64.7-46176.1175.80000110.7L428 D434 L437 L507 Y510 R511 A515 F516 I517L428-V513 HydrophobicContact CD1-CG1 4.19Å; L428-V513 HydrophobicContact CD1-CG2 4.4Å; L428-V513 HydrophobicContact CD2-CG1 4.46Å; L428-V513 HydrophobicContact CD2-CG2 4.01Å; L428-V513 HydrophobicContact CG-CG2 4.21Å; D434-V513 HydrophobicContact CB-CG2 4.36Å; L437-V513 HydrophobicContact CD1-CG2 3.43Å; L437-V513 VanDerWaalsContact CD1-CG2 3.43Å; L507-V513 HydrophobicContact CD2-CG1 4.18Å; Y510-V513 WeakPolarHBondContact O-CB 3.42Å; Y510-V513 PolarHBondContact O-N 3.26Å; R511-V513 VanDerWaalsContact C-N 3.29Å; R511-V513 PolarHBondContact O-N 3.13Å; V513-A515 PolarHBondContact O-N 2.99Å; V513-F516 PolarHBondContact O-N 3.27Å; V513-I517 HydrophobicContact CG1-CD1 3.92Å; V513-I517 WeakPolarHBondContact O-CG1 3.4Å; V513-I517 PolarHBondContact O-N 3.07Å
514Q88.6Confident89Confident70 Ų7057.9 Ų57.933%0.32728%0.281SS..Hα-helixtrans-60.9-46.3177.6-171.5178.26.800112L507 Y510 R511 F516 I517 Q518L507-Q514 HydrophobicContact CB-CB 4.18Å; L507-Q514 HydrophobicContact CB-CG 4.34Å; L507-Q514 HydrophobicContact CD2-CB 4.49Å; L507-Q514 PolarHBondContact O-OE1 2.83Å; Y510-Q514 PolarHBondContact O-N 3.46Å; R511-Q514 PolarHBondContact O-N 2.85Å; Q514-F516 VanDerWaalsContact C-N 3.33Å; Q514-F516 PolarHBondContact O-N 3.17Å; Q514-I517 PolarHBondContact O-N 3.38Å; Q514-Q518 WeakPolarHBondContact O-CG 3.37Å; Q514-Q518 PolarHBondContact O-N 3.5Å; Q514-Q518 VanDerWaalsContact O-N 3.08Å
515A92.4Very high89.5Confident44 Ų4457.9 Ų57.936%0.36428%0.279SS..Hα-helixtrans-62.6-40.1178.700000112R511 G512 V513 R519R511-A515 WeakPolarHBondContact O-CB 3.46Å; R511-A515 PolarHBondContact O-N 3.02Å; G512-A515 PolarHBondContact O-N 3.5Å; V513-A515 PolarHBondContact O-N 2.99Å; A515-R519 WeakPolarHBondContact O-CB 2.99Å; A515-R519 PolarHBondContact O-N 2.87Å
516F91.8Very high90Very high13 Ų1364.5 Ų64.56%0.05730%0.302CS..Hα-helixtrans-61.4-50.6174.4163.7-100.1000112L428 F431 G512 V513 Q514 Q518 R519 T520 V559 V562 V563L428-F516 HydrophobicContact CD1-CD1 4.33Å; L428-F516 HydrophobicContact CD1-CE1 4.43Å; F431-F516 HydrophobicContact CB-CD2 3.77Å; F431-F516 HydrophobicContact CB-CE2 3.52Å; F431-F516 HydrophobicContact CB-CG 4.45Å; F431-F516 HydrophobicContact CB-CZ 4.01Å; F431-F516 HydrophobicContact CG-CE2 4.11Å; F431-F516 HydrophobicContact CG-CZ 4.46Å; G512-F516 WeakPolarHBondContact O-CB 3.43Å; G512-F516 PolarHBondContact O-N 2.93Å; V513-F516 PolarHBondContact O-N 3.27Å; Q514-F516 VanDerWaalsContact C-N 3.33Å; Q514-F516 PolarHBondContact O-N 3.17Å; F516-Q518 VanDerWaalsContact C-N 3.3Å; F516-Q518 PolarHBondContact O-N 2.98Å; F516-R519 PolarHBondContact O-N 3.26Å; F516-R519 VanDerWaalsContact O-N 3.14Å; F516-T520 VanDerWaalsContact CE2-OG1 3.27Å; F516-T520 WeakPolarHBondContact CE2-OG1 3.45Å; F516-T520 WeakPolarHBondContact CZ-OG1 3.42Å; F516-T520 PolarHBondContact O-N 3.12Å; F516-T520 PolarHBondContact O-OG1 3.06Å; F516-T520 VanDerWaalsContact O-OG1 3.11Å; F516-V559 HydrophobicContact CE1-CG1 4.48Å; F516-V562 HydrophobicContact CE2-CG1 4Å; F516-V562 HydrophobicContact CZ-CB 4.07Å; F516-V562 HydrophobicContact CZ-CG1 3.67Å; F516-V563 HydrophobicContact CD1-CG2 4.47Å; F516-V563 HydrophobicContact CE1-CG2 3.33Å; F516-V563 HydrophobicContact CZ-CG2 3.49Å; F516-V563 VanDerWaalsContact CZ-CG2 3.49Å
517I89.4Confident90.5Very high33 Ų3368.2 Ų68.217%0.16932%0.319CS..Hα-helixtrans-54.4-48.7178.5-71.7169.1000110.7L507 V513 Q514 R519 T520 I521 V559L507-I517 HydrophobicContact CD2-CD1 4.26Å; V513-I517 HydrophobicContact CG1-CD1 3.92Å; V513-I517 WeakPolarHBondContact O-CG1 3.4Å; V513-I517 PolarHBondContact O-N 3.07Å; Q514-I517 PolarHBondContact O-N 3.38Å; I517-R519 PolarHBondContact O-N 3.25Å; I517-T520 PolarHBondContact O-N 2.96Å; I517-I521 HydrophobicContact CG2-CD1 3.89Å; I517-I521 WeakPolarHBondContact O-CG1 3.18Å; I517-I521 PolarHBondContact O-N 3.03Å; I517-V559 HydrophobicContact CG1-CG1 3.98Å; I517-V559 HydrophobicContact CG2-CG2 4.06Å
518Q90.7Very high90.9Very high103 Ų10368.6 Ų68.648%0.48133%0.328SS..Hα-helixtrans-62.5-43.5179.4-71.8178.8-17.200112.1Q514 F516 I521 Q522Q514-Q518 WeakPolarHBondContact O-CG 3.37Å; Q514-Q518 PolarHBondContact O-N 3.5Å; Q514-Q518 VanDerWaalsContact O-N 3.08Å; F516-Q518 VanDerWaalsContact C-N 3.3Å; F516-Q518 PolarHBondContact O-N 2.98Å; Q518-I521 PolarHBondContact O-N 2.65Å; Q518-Q522 WeakPolarHBondContact O-CB 3.43Å; Q518-Q522 VanDerWaalsContact O-CG 3.28Å; Q518-Q522 WeakPolarHBondContact O-CG 3.45Å; Q518-Q522 PolarHBondContact O-N 3.49Å
519R93.7Very high91.2Very high160 Ų16065.1 Ų65.160%0.60431%0.31SS*.Hα-helixtrans-62.9-44.2177.9-172.3-174.2-60.3159.32.7111.8A515 F516 I517 Q522 Q523A515-R519 WeakPolarHBondContact O-CB 2.99Å; A515-R519 PolarHBondContact O-N 2.87Å; F516-R519 PolarHBondContact O-N 3.26Å; F516-R519 VanDerWaalsContact O-N 3.14Å; I517-R519 PolarHBondContact O-N 3.25Å; R519-Q522 PolarHBondContact O-N 3.45Å; R519-Q523 WeakPolarHBondContact O-CB 3.44Å; R519-Q523 PolarHBondContact O-N 2.91Å
520T92.1Very high91.7Very high6 Ų662 Ų624%0.03729%0.291CS..Hα-helixtrans-63.4-41.9178.2-58.80000111.5F516 I517 Q523 S524 V530 A558 V559 V562F516-T520 VanDerWaalsContact CE2-OG1 3.27Å; F516-T520 WeakPolarHBondContact CE2-OG1 3.45Å; F516-T520 WeakPolarHBondContact CZ-OG1 3.42Å; F516-T520 PolarHBondContact O-N 3.12Å; F516-T520 PolarHBondContact O-OG1 3.06Å; F516-T520 VanDerWaalsContact O-OG1 3.11Å; I517-T520 PolarHBondContact O-N 2.96Å; T520-Q523 PolarHBondContact O-N 3.07Å; T520-S524 WeakPolarHBondContact O-CB 3.41Å; T520-S524 PolarHBondContact O-N 2.93Å; T520-V530 HydrophobicContact CG2-CG1 4.01Å; T520-A558 HydrophobicContact CG2-CB 4.35Å; T520-V559 HydrophobicContact CG2-CG2 4.42Å; T520-V562 HydrophobicContact CG2-CG2 3.96Å
521I91.8Very high92Very high37 Ų3763.7 Ų63.719%0.1930%0.302CS..Hα-helixtrans-62-50.2174.8-70.1169.7000110.1I517 Q518 Q523 S524 H525 E555 V559I517-I521 HydrophobicContact CG2-CD1 3.89Å; I517-I521 WeakPolarHBondContact O-CG1 3.18Å; I517-I521 PolarHBondContact O-N 3.03Å; Q518-I521 PolarHBondContact O-N 2.65Å; I521-Q523 VanDerWaalsContact C-N 3.32Å; I521-Q523 PolarHBondContact O-N 3.38Å; I521-S524 PolarHBondContact O-N 3.42Å; I521-S524 VanDerWaalsContact O-N 3.09Å; I521-S524 PolarHBondContact O-OG 3.22Å; I521-H525 PolarHBondContact O-CD2 3.19Å; I521-H525 VanDerWaalsContact O-CD2 3.26Å; I521-H525 PolarHBondContact O-N 3.29Å; I521-E555 HydrophobicContact CD1-CB 4.27Å; I521-E555 HydrophobicContact CG1-CB 4.13Å; I521-E555 HydrophobicContact CG1-CG 4.45Å; I521-E555 HydrophobicContact CG2-CB 4.47Å; I521-E555 HydrophobicContact CG2-CG 3.89Å; I521-V559 HydrophobicContact CD1-CG2 4.31Å; I521-V559 HydrophobicContact CG1-CG2 3.99Å
522Q94Very high92.1Very high132 Ų13255.2 Ų55.262%0.61727%0.271SS*.Hα-helixtrans-58.4-41.9177.7-72.4171.911.700112.6Q518 R519 S524 H525 K526Q518-Q522 WeakPolarHBondContact O-CB 3.43Å; Q518-Q522 VanDerWaalsContact O-CG 3.28Å; Q518-Q522 WeakPolarHBondContact O-CG 3.45Å; Q518-Q522 PolarHBondContact O-N 3.49Å; R519-Q522 PolarHBondContact O-N 3.45Å; Q522-S524 VanDerWaalsContact C-N 3.35Å; Q522-H525 PolarHBondContact O-N 2.75Å; Q522-K526 WeakPolarHBondContact O-CB 3.38Å; Q522-K526 PolarHBondContact O-N 3.35Å
523Q92.9Very high92.1Very high69 Ų6955.8 Ų55.832%0.32227%0.27SS..Hα-helixtrans-61.1-44.8174.9-178179.5-5.700111.3R519 T520 I521 H525 K526 Q527R519-Q523 WeakPolarHBondContact O-CB 3.44Å; R519-Q523 PolarHBondContact O-N 2.91Å; T520-Q523 PolarHBondContact O-N 3.07Å; I521-Q523 VanDerWaalsContact C-N 3.32Å; I521-Q523 PolarHBondContact O-N 3.38Å; Q523-H525 VanDerWaalsContact C-N 3.31Å; Q523-H525 PolarHBondContact O-N 2.84Å; Q523-K526 PolarHBondContact O-N 3.19Å; Q523-Q527 HydrophobicContact CG-CG 4.46Å; Q523-Q527 WeakPolarHBondContact O-CB 3.41Å; Q523-Q527 PolarHBondContact O-N 3.25Å
524S94.1Very high92.2Very high0 Ų056.3 Ų56.30%027%0.273CS..Hα-helixtrans-61.1-39.7179.373.70000112.2T520 I521 Q522 G528 V543T520-S524 WeakPolarHBondContact O-CB 3.41Å; T520-S524 PolarHBondContact O-N 2.93Å; I521-S524 PolarHBondContact O-N 3.42Å; I521-S524 VanDerWaalsContact O-N 3.09Å; I521-S524 PolarHBondContact O-OG 3.22Å; Q522-S524 VanDerWaalsContact C-N 3.35Å; S524-G528 VanDerWaalsContact O-CA 3.25Å; S524-G528 WeakPolarHBondContact O-CA 3.24Å; S524-G528 PolarHBondContact O-N 2.93Å; S524-V543 WeakPolarHBondContact O-CG1 3.09Å; S524-V543 WeakPolarHBondContact OG-CG2 3.44Å
525H94.3Very high92.3Very high70 Ų7054 Ų5432%0.32427%0.268SS..Hα-helixtrans-65.9-41.7173.9-82.7-78.7000112.7I521 Q522 Q523 V543 E555I521-H525 PolarHBondContact O-CD2 3.19Å; I521-H525 VanDerWaalsContact O-CD2 3.26Å; I521-H525 PolarHBondContact O-N 3.29Å; Q522-H525 PolarHBondContact O-N 2.75Å; Q523-H525 VanDerWaalsContact C-N 3.31Å; Q523-H525 PolarHBondContact O-N 2.84Å; H525-V543 PolarHBondContact CE1-O 3.48Å; H525-V543 PolarHBondContact ND1-O 3.16Å; H525-E555 IonicContact CD2-OE1 3.62Å; H525-E555 IonicContact CE1-OE1 3.92Å; H525-E555 IonicContact NE2-OE1 3.61Å; H525-E555 PolarHBondContact NE2-OE1 3.03Å
526K94Very high92.3Very high185 Ų18552.1 Ų52.180%0.80425%0.251SS*.Hα-helixtrans-70.6-39.3-177.7-175.4176.8179.5179.30112.9Q522 Q523Q522-K526 WeakPolarHBondContact O-CB 3.38Å; Q522-K526 PolarHBondContact O-N 3.35Å; Q523-K526 PolarHBondContact O-N 3.19Å
527Q92.9Very high92.3Very high84 Ų8454.4 Ų54.439%0.39326%0.26SS..Hα-helixtrans-105.3-19.5-170.6-63.6177.3-1000113.3Q523 Y529Q523-Q527 HydrophobicContact CG-CG 4.46Å; Q523-Q527 WeakPolarHBondContact O-CB 3.41Å; Q523-Q527 PolarHBondContact O-N 3.25Å; Q527-Y529 HydrophobicContact CB-CD1 4.04Å; Q527-Y529 HydrophobicContact CB-CE1 3.87Å; Q527-Y529 WeakPolarHBondContact O-CD1 3.23Å; Q527-Y529 PolarHBondContact O-N 3.18Å
528G92.6Very high92.4Very high28 Ų2854.3 Ų54.329%0.28926%0.257SS..SBendtrans77.23.7-172.600000114.2S524 L540S524-G528 VanDerWaalsContact O-CA 3.25Å; S524-G528 WeakPolarHBondContact O-CA 3.24Å; S524-G528 PolarHBondContact O-N 2.93Å; G528-L540 PolarHBondContact O-N 3.2Å
529Y92.6Very high92.4Very high54 Ų5452.6 Ų52.621%0.21225%0.251CS..EExtended strand (participates in β ladder)trans-152.6167.2178.666-92.5000111.8Q527 V531 R537 R538 L539Q527-Y529 HydrophobicContact CB-CD1 4.04Å; Q527-Y529 HydrophobicContact CB-CE1 3.87Å; Q527-Y529 WeakPolarHBondContact O-CD1 3.23Å; Q527-Y529 PolarHBondContact O-N 3.18Å; Y529-V531 HydrophobicContact CD2-CG2 3.9Å; Y529-V531 HydrophobicContact CE2-CG2 3.67Å; Y529-R537 HydrophobicContact CD2-CB 4.47Å; Y529-R537 HydrophobicContact CD2-CG 4.14Å; Y529-R537 HydrophobicContact CE2-CG 4.24Å; Y529-R538 WeakPolarHBondContact CA-O 3.11Å; Y529-R538 VanDerWaalsContact CB-O 3.24Å; Y529-R538 WeakPolarHBondContact CB-O 3.4Å; Y529-L539 HydrophobicContact CG-CD2 4.49Å
530V92.7Very high92.4Very high0 Ų045.1 Ų45.10%022%0.223CC..EExtended strand (participates in β ladder)trans-125.3163169.2-690000111.1T520 R537 R538 L540 A558 F561 V562T520-V530 HydrophobicContact CG2-CG1 4.01Å; V530-R537 WeakPolarHBondContact O-CA 3.47Å; V530-R538 HydrophobicContact CG2-CB 3.99Å; V530-R538 PolarHBondContact N-O 3.35Å; V530-R538 VanDerWaalsContact N-O 3.08Å; V530-R538 PolarHBondContact O-N 3.06Å; V530-L540 HydrophobicContact CG1-CD1 4.34Å; V530-L540 HydrophobicContact CG2-CD1 4.05Å; V530-A558 HydrophobicContact CG1-CB 3.84Å; V530-A558 HydrophobicContact CG2-CB 4.44Å; V530-F561 HydrophobicContact CB-CD1 4.41Å; V530-F561 HydrophobicContact CG2-CB 4.02Å; V530-F561 HydrophobicContact CG2-CD1 3.46Å; V530-F561 VanDerWaalsContact CG2-CD1 3.46Å; V530-F561 HydrophobicContact CG2-CE1 4.26Å; V530-F561 HydrophobicContact CG2-CG 4.06Å; V530-V562 HydrophobicContact CB-CG2 4.24Å; V530-V562 HydrophobicContact CG2-CG2 4.46Å
531V91.8Very high92.3Very high45 Ų4550 Ų5027%0.27326%0.255SS..EExtended strand (participates in β ladder)trans-125.5140.4-173.1-168.90000110.8Y529 G535 R536 R537Y529-V531 HydrophobicContact CD2-CG2 3.9Å; Y529-V531 HydrophobicContact CE2-CG2 3.67Å; V531-G535 VanDerWaalsContact CG1-C 3.48Å; V531-G535 VanDerWaalsContact CG1-CA 3.48Å; V531-R536 CarbonylContact C-O 3.43Å; V531-R536 VanDerWaalsContact CA-O 3.23Å; V531-R536 WeakPolarHBondContact CA-O 3.33Å; V531-R537 HydrophobicContact CG2-CG 4.25Å
532S91.6Very high92.3Very high9 Ų951.7 Ų51.76%0.06326%0.264CS..  trans-79.6177.1173.978.70000112.7M534 G535 R536 D571S532-M534 PolarHBondContact O-N 2.93Å; S532-M534 PolarHBondContact OG-N 3.06Å; S532-G535 PolarHBondContact O-N 2.96Å; S532-R536 PolarHBondContact N-O 2.81Å; S532-R536 WeakPolarHBondContact OG-CB 2.99Å; S532-R536 PolarHBondContact OG-N 3.37Å; S532-D571 WeakPolarHBondContact CB-OD2 3.49Å; S532-D571 PolarHBondContact OG-OD2 3.26Å
533L90.6Very high92.2Very high28 Ų2845.5 Ų45.515%0.14724%0.235CC..THydrogen-bonded Turntrans-50.2-38.8174-173.763.7000114L427 F431 S568 L572 V633 L635L427-L533 HydrophobicContact CD2-CD2 4.07Å; F431-L533 HydrophobicContact CE1-CD1 4.21Å; F431-L533 HydrophobicContact CZ-CB 4.04Å; F431-L533 HydrophobicContact CZ-CD1 4.1Å; L533-S568 WeakPolarHBondContact CB-OG 3.3Å; L533-S568 PolarHBondContact N-OG 2.97Å; L533-L572 HydrophobicContact CD2-CD1 4.32Å; L533-L572 HydrophobicContact CD2-CD2 4.48Å; L533-L572 HydrophobicContact CD2-CG 4.28Å; L533-V633 HydrophobicContact CD1-CG1 4.16Å; L533-V633 HydrophobicContact CD2-CG1 3.7Å; L533-V633 HydrophobicContact CG-CG1 3.95Å; L533-V633 HydrophobicContact CG-CG2 4.16Å; L533-L635 HydrophobicContact CD1-CD2 4.15Å; L533-L635 HydrophobicContact CD2-CD2 3.9Å
534M91.5Very high92.1Very high13 Ų1346.3 Ų46.36%0.06425%0.249CC..THydrogen-bonded Turntrans-11022.4-174.6-54.6-168.5-164.800112.7L217 I221 S532 D571 L572 M575 I628 L631 V633L217-M534 HydrophobicContact CD1-CB 4.37Å; I221-M534 HydrophobicContact CD1-CB 4.2Å; I221-M534 HydrophobicContact CD1-SD 3.5Å; I221-M534 VanDerWaalsContact CD1-SD 3.5Å; S532-M534 PolarHBondContact O-N 2.93Å; S532-M534 PolarHBondContact OG-N 3.06Å; M534-D571 HydrophobicContact CB-CB 4.1Å; M534-D571 HydrophobicContact CE-CB 4.14Å; M534-D571 HydrophobicContact CG-CB 3.91Å; M534-D571 HydrophobicContact SD-CB 3.74Å; M534-L572 HydrophobicContact CE-CD2 3.62Å; M534-L572 HydrophobicContact CE-CG 3.95Å; M534-M575 HydrophobicContact CE-CG 3.91Å; M534-M575 HydrophobicContact SD-CG 3.78Å; M534-I628 HydrophobicContact CE-CD1 3.51Å; M534-I628 HydrophobicContact SD-CD1 4.45Å; M534-L631 HydrophobicContact SD-CD1 3.87Å; M534-V633 HydrophobicContact CE-CG2 4.3Å; M534-V633 HydrophobicContact CG-CG2 3.88Å; M534-V633 HydrophobicContact SD-CG2 4.47Å
535G90.9Very high92Very high21 Ų2147.3 Ų47.322%0.21626%0.255CS..SBendtrans93.90.9171.400000115.8L214 V531 S532 R537L214-G535 VanDerWaalsContact CD2-O 3.31Å; L214-G535 WeakPolarHBondContact CD2-O 3.23Å; V531-G535 VanDerWaalsContact CG1-C 3.48Å; V531-G535 VanDerWaalsContact CG1-CA 3.48Å; S532-G535 PolarHBondContact O-N 2.96Å; G535-R537 PolarHBondContact O-N 3.08Å
536R92.6Very high91.9Very high5 Ų549.9 Ų49.92%0.01928%0.279CS..  trans-66.5131.7-179.4-172.3-176.9-59.9-71.9-8.3110.7L149 L217 E222 V531 S532 F561 D571L149-R536 HydrophobicContact CD1-CG 4.48Å; L217-R536 HydrophobicContact CD2-CB 3.58Å; L217-R536 HydrophobicContact CD2-CG 4.12Å; E222-R536 IonicContact OE1-CZ 3.16Å; E222-R536 IonicContact OE1-NH1 3.3Å; E222-R536 PolarHBondContact OE1-NH1 3.31Å; E222-R536 IonicContact OE1-NH2 2.77Å; E222-R536 PolarHBondContact OE1-NH2 3.03Å; V531-R536 CarbonylContact C-O 3.43Å; V531-R536 VanDerWaalsContact CA-O 3.23Å; V531-R536 WeakPolarHBondContact CA-O 3.33Å; S532-R536 PolarHBondContact N-O 2.81Å; S532-R536 WeakPolarHBondContact OG-CB 2.99Å; S532-R536 PolarHBondContact OG-N 3.37Å; R536-F561 HydrophobicContact CB-CZ 4.23Å; R536-F561 HydrophobicContact CG-CZ 3.96Å; R536-F561 WeakPolarHBondContact O-CE1 3.43Å; R536-F561 WeakPolarHBondContact O-CZ 3.49Å; R536-D571 IonicContact CZ-OD1 3.74Å; R536-D571 VanDerWaalsContact CZ-OD1 3.3Å; R536-D571 IonicContact NE-OD1 2.75Å; R536-D571 PolarHBondContact NE-OD1 3.33Å; R536-D571 IonicContact NE-OD2 3.69Å; R536-D571 IonicContact NH2-OD1 3.57Å; R536-D571 PolarHBondContact NH2-OD1 3.02Å
537R91.9Very high91.8Very high60 Ų6045 Ų4523%0.22626%0.262CS..EExtended strand (participates in β ladder)trans-97.9141.6-179.1-67.3175.5-178.1-159.9-4.9112.3H212 L214 Y529 V530 V531 G535H212-R537 PolarHBondContact O-NE 3.49Å; H212-R537 PolarHBondContact O-NH1 3.35Å; H212-R537 PolarHBondContact O-NH2 3.41Å; L214-R537 HydrophobicContact CD2-CG 4.06Å; Y529-R537 HydrophobicContact CD2-CB 4.47Å; Y529-R537 HydrophobicContact CD2-CG 4.14Å; Y529-R537 HydrophobicContact CE2-CG 4.24Å; V530-R537 WeakPolarHBondContact O-CA 3.47Å; V531-R537 HydrophobicContact CG2-CG 4.25Å; G535-R537 PolarHBondContact O-N 3.08Å
538R91.6Very high91.7Very high31 Ų3149 Ų4912%0.11727%0.273CS..EExtended strand (participates in β ladder)trans-121.3109.4167.4178.471.9-177.7132.12.9109.6S153 V364 Y529 V530 L540 F561S153-R538 PolarHBondContact OG-NH1 3.1Å; V364-R538 VanDerWaalsContact CB-NH1 3.29Å; V364-R538 VanDerWaalsContact O-CD 3.29Å; V364-R538 WeakPolarHBondContact O-CD 3.46Å; Y529-R538 WeakPolarHBondContact CA-O 3.11Å; Y529-R538 VanDerWaalsContact CB-O 3.24Å; Y529-R538 WeakPolarHBondContact CB-O 3.4Å; V530-R538 HydrophobicContact CG2-CB 3.99Å; V530-R538 PolarHBondContact N-O 3.35Å; V530-R538 VanDerWaalsContact N-O 3.08Å; V530-R538 PolarHBondContact O-N 3.06Å; R538-L540 HydrophobicContact CG-CD2 4.09Å; R538-L540 HydrophobicContact CG-CG 4.31Å; R538-F561 HydrophobicContact CB-CB 4.33Å; R538-F561 HydrophobicContact CB-CD1 3.58Å; R538-F561 HydrophobicContact CB-CD2 3.56Å; R538-F561 HydrophobicContact CB-CE1 3.59Å; R538-F561 HydrophobicContact CB-CE2 3.62Å; R538-F561 HydrophobicContact CB-CG 3.52Å; R538-F561 HydrophobicContact CB-CZ 3.61Å; R538-F561 HydrophobicContact CG-CB 4.32Å; R538-F561 HydrophobicContact CG-CD1 4.45Å; R538-F561 HydrophobicContact CG-CD2 3.89Å; R538-F561 HydrophobicContact CG-CE2 4.31Å; R538-F561 HydrophobicContact CG-CG 3.94Å
539L91.3Very high91.5Very high67 Ų6749.4 Ų49.435%0.35128%0.277SS..EExtended strand (participates in β ladder)trans-69.2135.8173.1-57178.2000110.4Y529Y529-L539 HydrophobicContact CG-CD2 4.49Å
540L92.4Very high91.3Very high3 Ų349.9 Ų49.92%0.01628%0.283CS..  trans-131.870.6-177.5-65.7170.2000110G528 V530 R538 N542 V543 Q557 A558G528-L540 PolarHBondContact O-N 3.2Å; V530-L540 HydrophobicContact CG1-CD1 4.34Å; V530-L540 HydrophobicContact CG2-CD1 4.05Å; R538-L540 HydrophobicContact CG-CD2 4.09Å; R538-L540 HydrophobicContact CG-CG 4.31Å; L540-N542 PolarHBondContact O-N 3.48Å; L540-N542 VanDerWaalsContact O-N 3.1Å; L540-V543 HydrophobicContact CB-CB 4.29Å; L540-V543 WeakPolarHBondContact O-CB 3.29Å; L540-V543 WeakPolarHBondContact O-CG1 3.16Å; L540-V543 PolarHBondContact O-N 3.32Å; L540-Q557 HydrophobicContact CD2-CB 3.84Å; L540-A558 HydrophobicContact CD1-CB 3.47Å; L540-A558 VanDerWaalsContact CD1-CB 3.47Å
541P89.4Confident91.3Very high109 Ų10953.4 Ų53.471%0.70830%0.296SS*.G310 helixtrans-60.2-28-174.624.6-34.6000113.1V543P541-V543 VanDerWaalsContact C-N 3.29Å; P541-V543 PolarHBondContact O-N 2.82Å
542N93.2Very high91.1Very high73 Ų7353.6 Ų53.639%0.3930%0.295SS..G310 helixtrans-81.3-2-178.7-66.9-23.4000114.1L540 S544 S545 L550 A554L540-N542 PolarHBondContact O-N 3.48Å; L540-N542 VanDerWaalsContact O-N 3.1Å; N542-S544 PolarHBondContact O-N 2.83Å; N542-S545 WeakPolarHBondContact O-CB 3.43Å; N542-S545 PolarHBondContact O-N 3.08Å; N542-S545 VanDerWaalsContact O-N 3.09Å; N542-L550 HydrophobicContact CB-CB 4.45Å; N542-A554 HydrophobicContact CB-CB 4.11Å
543V92.5Very high91Very high1 Ų157.9 Ų57.91%0.00631%0.314CS..G310 helixtrans-63-34179.974.80000111.8S524 H525 L540 P541 S545 R551 A554S524-V543 WeakPolarHBondContact O-CG1 3.09Å; S524-V543 WeakPolarHBondContact OG-CG2 3.44Å; H525-V543 PolarHBondContact CE1-O 3.48Å; H525-V543 PolarHBondContact ND1-O 3.16Å; L540-V543 HydrophobicContact CB-CB 4.29Å; L540-V543 WeakPolarHBondContact O-CB 3.29Å; L540-V543 WeakPolarHBondContact O-CG1 3.16Å; L540-V543 PolarHBondContact O-N 3.32Å; P541-V543 VanDerWaalsContact C-N 3.29Å; P541-V543 PolarHBondContact O-N 2.82Å; V543-S545 VanDerWaalsContact C-N 3.35Å; V543-R551 WeakPolarHBondContact O-CD 3.42Å; V543-R551 VanDerWaalsContact O-CG 3.3Å; V543-R551 WeakPolarHBondContact O-CG 3.3Å; V543-A554 HydrophobicContact CB-CB 4.17Å
544S90.1Very high91.1Very high87 Ų8756.6 Ų56.661%0.60831%0.307SS*.G310 helixtrans-95.514.6176.8-51.30000113N542N542-S544 PolarHBondContact O-N 2.83Å
545S92.4Very high91Very high20 Ų2057.4 Ų57.414%0.1431%0.311CS..  trans-65.7139.8-178.2-176.10000111.5N542 V543 D547 R551N542-S545 WeakPolarHBondContact O-CB 3.43Å; N542-S545 PolarHBondContact O-N 3.08Å; N542-S545 VanDerWaalsContact O-N 3.09Å; V543-S545 VanDerWaalsContact C-N 3.35Å; S545-D547 PolarHBondContact O-N 2.85Å; S545-D547 PolarHBondContact OG-N 3.01Å; S545-R551 PolarHBondContact O-NH1 2.91Å
546P90.9Very high90.8Very high125 Ų12561.3 Ų61.381%0.81232%0.319SS*.SBendtrans-67.1-25.2171.128.3-34.5000111.9W548P546-W548 PolarHBondContact O-N 3.44Å
547D93.4Very high90.6Very high83 Ų8364.3 Ų64.344%0.44433%0.333SS..SBendtrans-70115.9174.4-175.9-48.6000110.1S545 G549 L550 R551S545-D547 PolarHBondContact O-N 2.85Å; S545-D547 PolarHBondContact OG-N 3.01Å; D547-G549 VanDerWaalsContact C-N 3.31Å; D547-G549 PolarHBondContact O-N 3.42Å; D547-G549 WeakPolarHBondContact OD1-CA 3.48Å; D547-G549 PolarHBondContact OD1-N 2.95Å; D547-L550 HydrophobicContact CB-CB 4.08Å; D547-L550 HydrophobicContact CB-CD1 3.97Å; D547-L550 HydrophobicContact CB-CG 4.08Å; D547-L550 PolarHBondContact O-N 2.99Å; D547-L550 PolarHBondContact OD1-N 2.87Å; D547-R551 WeakPolarHBondContact O-CB 3.19Å; D547-R551 PolarHBondContact O-N 3.06Å
548W88.9Confident90.5Very high167 Ų16761.4 Ų61.463%0.63332%0.322SS*.Hα-helixtrans-60.4-38.5-178.7-177.189000112.9P546 M552P546-W548 PolarHBondContact O-N 3.44Å; W548-M552 HydrophobicContact CD2-CG 3.81Å; W548-M552 HydrophobicContact CE3-CG 4.12Å; W548-M552 HydrophobicContact CG-CG 4.43Å; W548-M552 HydrophobicContact CH2-CG 3.96Å; W548-M552 HydrophobicContact CZ2-CG 3.61Å; W548-M552 HydrophobicContact CZ2-SD 4.04Å; W548-M552 HydrophobicContact CZ3-CG 4.19Å; W548-M552 WeakPolarHBondContact O-CB 3.42Å; W548-M552 WeakPolarHBondContact O-CG 3.3Å; W548-M552 PolarHBondContact O-N 3.49Å
549G88.4Confident90.3Very high36 Ų3660.5 Ų60.537%0.37132%0.32SS..Hα-helixtrans-66.8-45.6179.500000112.1D547 Q553D547-G549 VanDerWaalsContact C-N 3.31Å; D547-G549 PolarHBondContact O-N 3.42Å; D547-G549 WeakPolarHBondContact OD1-CA 3.48Å; D547-G549 PolarHBondContact OD1-N 2.95Å; G549-Q553 WeakPolarHBondContact O-CB 3.38Å; G549-Q553 PolarHBondContact O-N 2.94Å
550L90Very high90Very high64 Ų6458.8 Ų58.834%0.33531%0.311SS..Hα-helixtrans-65.4-41.1176.6-67.6179.4000111.9N542 D547 Q553 A554N542-L550 HydrophobicContact CB-CB 4.45Å; D547-L550 HydrophobicContact CB-CB 4.08Å; D547-L550 HydrophobicContact CB-CD1 3.97Å; D547-L550 HydrophobicContact CB-CG 4.08Å; D547-L550 PolarHBondContact O-N 2.99Å; D547-L550 PolarHBondContact OD1-N 2.87Å; L550-Q553 PolarHBondContact O-N 3.26Å; L550-A554 PolarHBondContact O-N 2.65Å
551R92.9Very high89.8Confident75 Ų7558.9 Ų58.928%0.28331%0.311SS..Hα-helixtrans-62.2-50.8176178.7165.771.6-127.48.7111.8V543 S545 D547 Q553 A554 E555V543-R551 WeakPolarHBondContact O-CD 3.42Å; V543-R551 VanDerWaalsContact O-CG 3.3Å; V543-R551 WeakPolarHBondContact O-CG 3.3Å; S545-R551 PolarHBondContact O-NH1 2.91Å; D547-R551 WeakPolarHBondContact O-CB 3.19Å; D547-R551 PolarHBondContact O-N 3.06Å; R551-Q553 PolarHBondContact O-N 3.39Å; R551-A554 WeakPolarHBondContact O-CB 3.3Å; R551-A554 PolarHBondContact O-N 2.54Å; R551-E555 WeakPolarHBondContact O-CG 3.24Å; R551-E555 PolarHBondContact O-N 3.31Å
552M87.6Confident89.6Confident49 Ų4954.1 Ų54.124%0.24128%0.28CS..Hα-helixtrans-59.7-34.6177-73.5-60.6-53.700112.3W548 R556W548-M552 HydrophobicContact CD2-CG 3.81Å; W548-M552 HydrophobicContact CE3-CG 4.12Å; W548-M552 HydrophobicContact CG-CG 4.43Å; W548-M552 HydrophobicContact CH2-CG 3.96Å; W548-M552 HydrophobicContact CZ2-CG 3.61Å; W548-M552 HydrophobicContact CZ2-SD 4.04Å; W548-M552 HydrophobicContact CZ3-CG 4.19Å; W548-M552 WeakPolarHBondContact O-CB 3.42Å; W548-M552 WeakPolarHBondContact O-CG 3.3Å; W548-M552 PolarHBondContact O-N 3.49Å; M552-R556 VanDerWaalsContact O-CG 3.29Å; M552-R556 WeakPolarHBondContact O-CG 3.41Å; M552-R556 PolarHBondContact O-N 3.14Å; M552-R556 VanDerWaalsContact O-N 3.16Å
553Q88.8Confident88.4Confident99 Ų9950.8 Ų50.846%0.46326%0.263SS..Hα-helixtrans-66.6-44.5174.1-177.4179.7300111.6G549 L550 R551 R556 Q557G549-Q553 WeakPolarHBondContact O-CB 3.38Å; G549-Q553 PolarHBondContact O-N 2.94Å; L550-Q553 PolarHBondContact O-N 3.26Å; R551-Q553 PolarHBondContact O-N 3.39Å; Q553-R556 PolarHBondContact O-N 2.99Å; Q553-Q557 VanDerWaalsContact O-CG 3.3Å; Q553-Q557 WeakPolarHBondContact O-CG 3.44Å; Q553-Q557 PolarHBondContact O-N 2.83Å
554A91.4Very high86.8Confident1 Ų153.5 Ų53.51%0.00828%0.275CS..Hα-helixtrans-63.2-41.3177.700000112.1N542 V543 L550 R551 R556 Q557 A558N542-A554 HydrophobicContact CB-CB 4.11Å; V543-A554 HydrophobicContact CB-CB 4.17Å; L550-A554 PolarHBondContact O-N 2.65Å; R551-A554 WeakPolarHBondContact O-CB 3.3Å; R551-A554 PolarHBondContact O-N 2.54Å; A554-R556 PolarHBondContact O-N 3.04Å; A554-Q557 WeakPolarHBondContact O-CB 3.26Å; A554-Q557 PolarHBondContact O-N 3.5Å; A554-A558 PolarHBondContact O-N 2.98Å
555E90Very high85Confident29 Ų2952.5 Ų52.514%0.13626%0.263CS..Hα-helixtrans-61.7-42.6175.4-69.8178.9-18000112.1I521 H525 R551 Q557 A558 V559I521-E555 HydrophobicContact CD1-CB 4.27Å; I521-E555 HydrophobicContact CG1-CB 4.13Å; I521-E555 HydrophobicContact CG1-CG 4.45Å; I521-E555 HydrophobicContact CG2-CB 4.47Å; I521-E555 HydrophobicContact CG2-CG 3.89Å; H525-E555 IonicContact CD2-OE1 3.62Å; H525-E555 IonicContact CE1-OE1 3.92Å; H525-E555 IonicContact NE2-OE1 3.61Å; H525-E555 PolarHBondContact NE2-OE1 3.03Å; R551-E555 WeakPolarHBondContact O-CG 3.24Å; R551-E555 PolarHBondContact O-N 3.31Å; E555-Q557 VanDerWaalsContact C-N 3.35Å; E555-A558 VanDerWaalsContact O-CB 3.32Å; E555-A558 WeakPolarHBondContact O-CB 3.4Å; E555-A558 PolarHBondContact O-N 2.79Å; E555-V559 PolarHBondContact O-N 2.82Å
556R87.3Confident83.4Confident104 Ų10451.6 Ų51.639%0.39226%0.257SS..Hα-helixtrans-63.7-41.4173.4-69.9174.9-161.5169.76.2111.6M552 Q553 A554 A558 V559 N560M552-R556 VanDerWaalsContact O-CG 3.29Å; M552-R556 WeakPolarHBondContact O-CG 3.41Å; M552-R556 PolarHBondContact O-N 3.14Å; M552-R556 VanDerWaalsContact O-N 3.16Å; Q553-R556 PolarHBondContact O-N 2.99Å; A554-R556 PolarHBondContact O-N 3.04Å; R556-A558 VanDerWaalsContact C-N 3.27Å; R556-A558 PolarHBondContact O-N 2.91Å; R556-V559 PolarHBondContact O-N 3.47Å; R556-N560 VanDerWaalsContact O-CB 3.26Å; R556-N560 WeakPolarHBondContact O-CB 3.45Å; R556-N560 PolarHBondContact O-N 2.88Å; R556-N560 PolarHBondContact O-ND2 3.02Å; R556-N560 PolarHBondContact O-OD1 3.13Å
557Q89.1Confident82.2Confident67 Ų6745.7 Ų45.731%0.31322%0.218SC..Hα-helixtrans-61.8-36.1175.7-74.3174.2-17.900111.9L540 Q553 A554 E555 F561L540-Q557 HydrophobicContact CD2-CB 3.84Å; Q553-Q557 VanDerWaalsContact O-CG 3.3Å; Q553-Q557 WeakPolarHBondContact O-CG 3.44Å; Q553-Q557 PolarHBondContact O-N 2.83Å; A554-Q557 WeakPolarHBondContact O-CB 3.26Å; A554-Q557 PolarHBondContact O-N 3.5Å; E555-Q557 VanDerWaalsContact C-N 3.35Å; Q557-F561 VanDerWaalsContact O-CB 3.22Å; Q557-F561 WeakPolarHBondContact O-CB 3.36Å; Q557-F561 PolarHBondContact O-N 3.43Å
558A89.8Confident81.9Confident0 Ų041.8 Ų41.80%020%0.198CC..Hα-helixtrans-60.5-53.617700000111.8T520 V530 L540 A554 E555 R556 F561 V562T520-A558 HydrophobicContact CG2-CB 4.35Å; V530-A558 HydrophobicContact CG1-CB 3.84Å; V530-A558 HydrophobicContact CG2-CB 4.44Å; L540-A558 HydrophobicContact CD1-CB 3.47Å; L540-A558 VanDerWaalsContact CD1-CB 3.47Å; A554-A558 PolarHBondContact O-N 2.98Å; E555-A558 VanDerWaalsContact O-CB 3.32Å; E555-A558 WeakPolarHBondContact O-CB 3.4Å; E555-A558 PolarHBondContact O-N 2.79Å; R556-A558 VanDerWaalsContact C-N 3.27Å; R556-A558 PolarHBondContact O-N 2.91Å; A558-F561 PolarHBondContact O-N 3.29Å; A558-V562 PolarHBondContact O-N 3.37Å
559V87.3Confident81.8Confident11 Ų1134.2 Ų34.27%0.06717%0.171CC..Hα-helixtrans-63.8-45.1179.9178.10000110.6F516 I517 T520 I521 E555 R556 F561 V562 V563F516-V559 HydrophobicContact CE1-CG1 4.48Å; I517-V559 HydrophobicContact CG1-CG1 3.98Å; I517-V559 HydrophobicContact CG2-CG2 4.06Å; T520-V559 HydrophobicContact CG2-CG2 4.42Å; I521-V559 HydrophobicContact CD1-CG2 4.31Å; I521-V559 HydrophobicContact CG1-CG2 3.99Å; E555-V559 PolarHBondContact O-N 2.82Å; R556-V559 PolarHBondContact O-N 3.47Å; V559-F561 VanDerWaalsContact C-N 3.31Å; V559-F561 PolarHBondContact O-N 3.36Å; V559-V562 PolarHBondContact O-N 2.92Å; V559-V563 PolarHBondContact O-N 3.49Å
560N84.7Confident81.8Confident32 Ų3232.9 Ų32.917%0.17116%0.156CC..Hα-helixtrans-64-37.6-179.9-68.3-4.9000111.7R556 V562 V563 Q564 D565R556-N560 VanDerWaalsContact O-CB 3.26Å; R556-N560 WeakPolarHBondContact O-CB 3.45Å; R556-N560 PolarHBondContact O-N 2.88Å; R556-N560 PolarHBondContact O-ND2 3.02Å; R556-N560 PolarHBondContact O-OD1 3.13Å; N560-V562 VanDerWaalsContact C-N 3.29Å; N560-V562 PolarHBondContact O-N 2.91Å; N560-V563 PolarHBondContact O-N 3.18Å; N560-Q564 HydrophobicContact CB-CB 4.04Å; N560-Q564 PolarHBondContact ND2-OE1 2.95Å; N560-Q564 WeakPolarHBondContact O-CA 3.43Å; N560-Q564 PolarHBondContact O-N 3.48Å; N560-Q564 PolarHBondContact OD1-OE1 3.46Å; N560-D565 PolarHBondContact O-N 2.97Å
561F87.7Confident81.8Confident4 Ų429.8 Ų29.82%0.01814%0.14CC..Hα-helixtrans-59.2-38.9178179.4-100.2000113.5V530 R536 R538 Q557 A558 V559 D565 G567V530-F561 HydrophobicContact CB-CD1 4.41Å; V530-F561 HydrophobicContact CG2-CB 4.02Å; V530-F561 HydrophobicContact CG2-CD1 3.46Å; V530-F561 VanDerWaalsContact CG2-CD1 3.46Å; V530-F561 HydrophobicContact CG2-CE1 4.26Å; V530-F561 HydrophobicContact CG2-CG 4.06Å; R536-F561 HydrophobicContact CB-CZ 4.23Å; R536-F561 HydrophobicContact CG-CZ 3.96Å; R536-F561 WeakPolarHBondContact O-CE1 3.43Å; R536-F561 WeakPolarHBondContact O-CZ 3.49Å; R538-F561 HydrophobicContact CB-CB 4.33Å; R538-F561 HydrophobicContact CB-CD1 3.58Å; R538-F561 HydrophobicContact CB-CD2 3.56Å; R538-F561 HydrophobicContact CB-CE1 3.59Å; R538-F561 HydrophobicContact CB-CE2 3.62Å; R538-F561 HydrophobicContact CB-CG 3.52Å; R538-F561 HydrophobicContact CB-CZ 3.61Å; R538-F561 HydrophobicContact CG-CB 4.32Å; R538-F561 HydrophobicContact CG-CD1 4.45Å; R538-F561 HydrophobicContact CG-CD2 3.89Å; R538-F561 HydrophobicContact CG-CE2 4.31Å; R538-F561 HydrophobicContact CG-CG 3.94Å; Q557-F561 VanDerWaalsContact O-CB 3.22Å; Q557-F561 WeakPolarHBondContact O-CB 3.36Å; Q557-F561 PolarHBondContact O-N 3.43Å; A558-F561 PolarHBondContact O-N 3.29Å; V559-F561 VanDerWaalsContact C-N 3.31Å; V559-F561 PolarHBondContact O-N 3.36Å; F561-D565 WeakPolarHBondContact CA-O 3.36Å; F561-G567 PolarHBondContact O-N 3.2Å
562V84.4Confident81.8Confident9 Ų926.2 Ų26.26%0.05513%0.127CC..Hα-helixtrans-76-38.5-178.7-177.70000111.5F431 F516 T520 V530 A558 V559 N560 S568F431-V562 HydrophobicContact CD1-CG1 4.32Å; F431-V562 HydrophobicContact CD2-CG1 3.92Å; F431-V562 HydrophobicContact CE1-CG1 4.22Å; F431-V562 HydrophobicContact CE2-CG1 3.82Å; F431-V562 WeakPolarHBondContact CE2-O 3.35Å; F431-V562 HydrophobicContact CG-CG1 4.19Å; F431-V562 HydrophobicContact CZ-CG1 3.96Å; F516-V562 HydrophobicContact CE2-CG1 4Å; F516-V562 HydrophobicContact CZ-CB 4.07Å; F516-V562 HydrophobicContact CZ-CG1 3.67Å; T520-V562 HydrophobicContact CG2-CG2 3.96Å; V530-V562 HydrophobicContact CB-CG2 4.24Å; V530-V562 HydrophobicContact CG2-CG2 4.46Å; A558-V562 PolarHBondContact O-N 3.37Å; V559-V562 PolarHBondContact O-N 2.92Å; N560-V562 VanDerWaalsContact C-N 3.29Å; N560-V562 PolarHBondContact O-N 2.91Å; V562-S568 PolarHBondContact O-OG 3.12Å
563V69.1Low82.1Confident4 Ų424.1 Ų24.12%0.02412%0.116CC..Hα-helixtrans-111.3-56.7-171-172.50000115.2L428 F431 Y481 F516 V559 N560L428-V563 HydrophobicContact CB-CG1 3.71Å; L428-V563 HydrophobicContact CD1-CG1 3.93Å; L428-V563 HydrophobicContact CD1-CG2 4.08Å; L428-V563 HydrophobicContact CG-CG1 4.4Å; F431-V563 HydrophobicContact CD2-CG2 4.41Å; Y481-V563 HydrophobicContact CE1-CB 4.46Å; Y481-V563 HydrophobicContact CE1-CG1 3.85Å; F516-V563 HydrophobicContact CD1-CG2 4.47Å; F516-V563 HydrophobicContact CE1-CG2 3.33Å; F516-V563 HydrophobicContact CZ-CG2 3.49Å; F516-V563 VanDerWaalsContact CZ-CG2 3.49Å; V559-V563 PolarHBondContact O-N 3.49Å; N560-V563 PolarHBondContact O-N 3.18Å
564Q57.6Low82.4Confident58 Ų5819.5 Ų19.527%0.27110%0.095SC..THydrogen-bonded Turntrans-84.9-42.6-165.3-170.8-17718.400113.4E424 Y481 N560E424-Q564 VanDerWaalsContact CD-O 3.3Å; E424-Q564 VanDerWaalsContact OE1-O 3.04Å; Y481-Q564 HydrophobicContact CD1-CB 3.59Å; Y481-Q564 HydrophobicContact CD1-CG 3.85Å; Y481-Q564 HydrophobicContact CD2-CB 4.35Å; Y481-Q564 HydrophobicContact CD2-CG 3.67Å; Y481-Q564 HydrophobicContact CE1-CB 3.66Å; Y481-Q564 HydrophobicContact CE1-CG 3.95Å; Y481-Q564 HydrophobicContact CE2-CB 4.38Å; Y481-Q564 HydrophobicContact CE2-CG 3.74Å; Y481-Q564 HydrophobicContact CG-CB 3.99Å; Y481-Q564 HydrophobicContact CG-CG 3.75Å; N560-Q564 HydrophobicContact CB-CB 4.04Å; N560-Q564 PolarHBondContact ND2-OE1 2.95Å; N560-Q564 WeakPolarHBondContact O-CA 3.43Å; N560-Q564 PolarHBondContact O-N 3.48Å; N560-Q564 PolarHBondContact OD1-OE1 3.46Å
565D53.1Low82.6Confident65 Ų6519.9 Ų19.935%0.34810%0.097SC..SBendtrans-158.9119.7-158.6-15930.3000107.1R367 N560 F561R367-D565 IonicContact CZ-OD1 2.68Å; R367-D565 IonicContact NE-OD1 2.71Å; R367-D565 IonicContact NH1-OD1 2.72Å; R367-D565 PolarHBondContact NH1-OD1 2.88Å; R367-D565 IonicContact NH2-OD1 3.03Å; R367-D565 PolarHBondContact NH2-OD1 3.34Å; N560-D565 PolarHBondContact O-N 2.97Å; F561-D565 WeakPolarHBondContact CA-O 3.36Å
566P59.4Low83Confident2 Ų218.5 Ų18.51%0.0139%0.09CC..SBendcis-117.124-46.3-15.134.4000114.2T365 R367 A570T365-P566 HydrophobicContact CG2-CG 3.96Å; T365-P566 CarbonylContact O-C 3.59Å; T365-P566 WeakPolarHBondContact O-CB 3.49Å; T365-P566 WeakPolarHBondContact O-CD 3.29Å; T365-P566 WeakPolarHBondContact OG1-CD 3.46Å; T365-P566 WeakPolarHBondContact OG1-CG 3.23Å; R367-P566 HydrophobicContact CB-CB 4.26Å; R367-P566 HydrophobicContact CB-CG 4.08Å; R367-P566 HydrophobicContact CG-CB 3.45Å; R367-P566 VanDerWaalsContact CG-CB 3.45Å; R367-P566 HydrophobicContact CG-CG 3.53Å; R367-P566 VanDerWaalsContact NE-CG 3.27Å; P566-A570 HydrophobicContact CB-CB 3.76Å; P566-A570 WeakPolarHBondContact O-CA 3.46Å; P566-A570 WeakPolarHBondContact O-CB 3.44Å; P566-A570 PolarHBondContact O-N 3.49Å
567G65.8Low83.5Confident0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-53.6-68.6-17500000111.3T365 F561 D571T365-G567 PolarHBondContact O-N 3.49Å; F561-G567 PolarHBondContact O-N 3.2Å; G567-D571 VanDerWaalsContact O-CB 3.29Å; G567-D571 WeakPolarHBondContact O-CB 3.43Å; G567-D571 PolarHBondContact O-N 3.16Å
568S86Confident83.8Confident1 Ų110.8 Ų10.81%0.0076%0.059CC..Hα-helixtrans-70.3-42.9-171.6-50.80000113.6F431 L533 V562 D571 L572F431-S568 WeakPolarHBondContact CZ-OG 3.46Å; L533-S568 WeakPolarHBondContact CB-OG 3.3Å; L533-S568 PolarHBondContact N-OG 2.97Å; V562-S568 PolarHBondContact O-OG 3.12Å; S568-D571 PolarHBondContact O-N 2.77Å; S568-L572 PolarHBondContact O-N 2.94Å
569A87.3Confident84.2Confident9 Ų912.7 Ų12.77%0.0747%0.071CC..Hα-helixtrans-70.7-38.7-179.900000112.4V423 L427 L572 C573V423-A569 HydrophobicContact CG1-CB 4.19Å; L427-A569 HydrophobicContact CD1-CB 3.77Å; A569-L572 PolarHBondContact O-N 3.43Å; A569-C573 WeakPolarHBondContact O-CB 3.47Å; A569-C573 PolarHBondContact O-N 2.95Å; A569-C573 PolarHBondContact O-SG 3.43Å
570A88.1Confident84.6Confident7 Ų712.2 Ų12.26%0.0587%0.068CC..Hα-helixtrans-71.2-34.6175.500000111.5R367 P566 C573 K574R367-A570 HydrophobicContact CG-CB 4.08Å; P566-A570 HydrophobicContact CB-CB 3.76Å; P566-A570 WeakPolarHBondContact O-CA 3.46Å; P566-A570 WeakPolarHBondContact O-CB 3.44Å; P566-A570 PolarHBondContact O-N 3.49Å; A570-C573 PolarHBondContact O-N 2.91Å; A570-K574 WeakPolarHBondContact O-CB 3.49Å; A570-K574 WeakPolarHBondContact O-CG 3.36Å; A570-K574 PolarHBondContact O-N 3.09Å
571D91.6Very high85.2Confident0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-60.4-46.6173.5-65-21.2000110.2I221 S532 M534 R536 G567 S568 C573 K574 M575I221-D571 HydrophobicContact CD1-CB 4.42Å; S532-D571 WeakPolarHBondContact CB-OD2 3.49Å; S532-D571 PolarHBondContact OG-OD2 3.26Å; M534-D571 HydrophobicContact CB-CB 4.1Å; M534-D571 HydrophobicContact CE-CB 4.14Å; M534-D571 HydrophobicContact CG-CB 3.91Å; M534-D571 HydrophobicContact SD-CB 3.74Å; R536-D571 IonicContact CZ-OD1 3.74Å; R536-D571 VanDerWaalsContact CZ-OD1 3.3Å; R536-D571 IonicContact NE-OD1 2.75Å; R536-D571 PolarHBondContact NE-OD1 3.33Å; R536-D571 IonicContact NE-OD2 3.69Å; R536-D571 IonicContact NH2-OD1 3.57Å; R536-D571 PolarHBondContact NH2-OD1 3.02Å; G567-D571 VanDerWaalsContact O-CB 3.29Å; G567-D571 WeakPolarHBondContact O-CB 3.43Å; G567-D571 PolarHBondContact O-N 3.16Å; S568-D571 PolarHBondContact O-N 2.77Å; D571-C573 PolarHBondContact O-N 3.25Å; D571-K574 PolarHBondContact O-N 3.2Å; D571-M575 WeakPolarHBondContact O-CB 3.2Å; D571-M575 WeakPolarHBondContact O-CG 3.38Å; D571-M575 PolarHBondContact O-N 3.07Å
572L92.9Very high85.5Confident0 Ų013.7 Ų13.70%08%0.075CC..Hα-helixtrans-60.9-44173.6-77171.9000113.1V423 L427 L533 M534 S568 A569 M575 A576 L625 I628 L635 L639V423-L572 HydrophobicContact CG2-CD1 4.22Å; L427-L572 HydrophobicContact CD1-CD1 4.39Å; L427-L572 HydrophobicContact CD2-CD1 3.97Å; L427-L572 HydrophobicContact CG-CD1 4.45Å; L533-L572 HydrophobicContact CD2-CD1 4.32Å; L533-L572 HydrophobicContact CD2-CD2 4.48Å; L533-L572 HydrophobicContact CD2-CG 4.28Å; M534-L572 HydrophobicContact CE-CD2 3.62Å; M534-L572 HydrophobicContact CE-CG 3.95Å; S568-L572 PolarHBondContact O-N 2.94Å; A569-L572 PolarHBondContact O-N 3.43Å; L572-M575 PolarHBondContact O-N 3.46Å; L572-A576 PolarHBondContact O-N 3.06Å; L572-L625 HydrophobicContact CD2-CB 4.2Å; L572-I628 HydrophobicContact CD2-CD1 4.29Å; L572-L635 HydrophobicContact CD1-CD1 4.25Å; L572-L639 HydrophobicContact CD1-CD1 4.45Å; L572-L639 HydrophobicContact CD2-CD1 4.3Å
573C93.6Very high86.1Confident4 Ų416.6 Ų16.63%0.0279%0.09CC..Hα-helixtrans-64-42.4178.2-66.90000111.8A569 A570 D571 A576 M577A569-C573 WeakPolarHBondContact O-CB 3.47Å; A569-C573 PolarHBondContact O-N 2.95Å; A569-C573 PolarHBondContact O-SG 3.43Å; A570-C573 PolarHBondContact O-N 2.91Å; D571-C573 PolarHBondContact O-N 3.25Å; C573-A576 WeakPolarHBondContact O-CB 3.07Å; C573-A576 PolarHBondContact O-N 3.22Å; C573-M577 VanDerWaalsContact O-CG 3.25Å; C573-M577 WeakPolarHBondContact O-CG 3.26Å; C573-M577 PolarHBondContact O-N 3.32Å
574K95.2Very high87.3Confident3 Ų316.6 Ų16.61%0.0139%0.09CC..Hα-helixtrans-63.7-42.7175.1-75.5179.1175.5-178.20111.1I221 E222 M225 G366 I368 A570 D571 A576 M577 I578I221-K574 HydrophobicContact CG2-CB 3.78Å; I221-K574 HydrophobicContact CG2-CD 3.6Å; I221-K574 HydrophobicContact CG2-CG 4.35Å; E222-K574 IonicContact OE1-NZ 2.67Å; E222-K574 PolarHBondContact OE1-NZ 2.9Å; E222-K574 IonicContact OE2-NZ 2.86Å; E222-K574 PolarHBondContact OE2-NZ 3.17Å; M225-K574 HydrophobicContact CE-CG 4.4Å; M225-K574 HydrophobicContact CG-CB 4.05Å; M225-K574 HydrophobicContact CG-CD 3.88Å; M225-K574 HydrophobicContact CG-CG 3.9Å; M225-K574 HydrophobicContact SD-CB 3.88Å; M225-K574 HydrophobicContact SD-CG 3.98Å; G366-K574 WeakPolarHBondContact O-CE 3.43Å; G366-K574 PolarHBondContact O-NZ 3.01Å; I368-K574 HydrophobicContact CD1-CG 4.28Å; A570-K574 WeakPolarHBondContact O-CB 3.49Å; A570-K574 WeakPolarHBondContact O-CG 3.36Å; A570-K574 PolarHBondContact O-N 3.09Å; D571-K574 PolarHBondContact O-N 3.2Å; K574-A576 VanDerWaalsContact C-N 3.34Å; K574-A576 PolarHBondContact O-N 2.95Å; K574-M577 WeakPolarHBondContact O-CB 3.26Å; K574-M577 PolarHBondContact O-N 2.83Å; K574-I578 WeakPolarHBondContact O-CD1 3.44Å; K574-I578 VanDerWaalsContact O-CG1 3.23Å; K574-I578 WeakPolarHBondContact O-CG1 3.42Å; K574-I578 PolarHBondContact O-N 3.08Å
575M95.7Very high89Confident9 Ų914.8 Ų14.84%0.0448%0.083CC..Hα-helixtrans-59.8-43.9174.5-75.8-56.8-63.400111.8I221 M534 D571 L572 M577 I578 T579 L625 I628 L631I221-M575 HydrophobicContact CD1-CG 3.96Å; I221-M575 HydrophobicContact CD1-SD 3.9Å; I221-M575 HydrophobicContact CG1-CG 3.95Å; I221-M575 HydrophobicContact CG1-SD 3.35Å; I221-M575 WeakPolarHBondContact CG1-SD 3.16Å; M534-M575 HydrophobicContact CE-CG 3.91Å; M534-M575 HydrophobicContact SD-CG 3.78Å; D571-M575 WeakPolarHBondContact O-CB 3.2Å; D571-M575 WeakPolarHBondContact O-CG 3.38Å; D571-M575 PolarHBondContact O-N 3.07Å; L572-M575 PolarHBondContact O-N 3.46Å; M575-M577 PolarHBondContact O-N 2.88Å; M575-I578 PolarHBondContact O-N 3.39Å; M575-I578 HydrophobicContact SD-CD1 4.41Å; M575-T579 WeakPolarHBondContact O-CB 3.33Å; M575-T579 PolarHBondContact O-N 3.43Å; M575-T579 PolarHBondContact O-OG1 3.39Å; M575-L625 HydrophobicContact CB-CD1 4.27Å; M575-L625 HydrophobicContact CB-CD2 4.3Å; M575-I628 HydrophobicContact CB-CD1 4.45Å; M575-I628 HydrophobicContact CE-CG2 4.33Å; M575-I628 HydrophobicContact CG-CD1 4.3Å; M575-L631 HydrophobicContact CE-CD1 4.47Å; M575-L631 HydrophobicContact SD-CD1 4.28Å
576A96.9Very high90.8Very high0 Ų016.7 Ų16.70%010%0.102CC..Hα-helixtrans-57.9-47173.200000112.2F420 L572 C573 K574 I578 I580 L602 M622 L625F420-A576 HydrophobicContact CE2-CB 4.19Å; F420-A576 HydrophobicContact CZ-CB 4.08Å; L572-A576 PolarHBondContact O-N 3.06Å; C573-A576 WeakPolarHBondContact O-CB 3.07Å; C573-A576 PolarHBondContact O-N 3.22Å; K574-A576 VanDerWaalsContact C-N 3.34Å; K574-A576 PolarHBondContact O-N 2.95Å; A576-I578 PolarHBondContact O-N 3.15Å; A576-I580 WeakPolarHBondContact O-CB 2.88Å; A576-I580 WeakPolarHBondContact O-CD1 3.36Å; A576-I580 VanDerWaalsContact O-CG1 3.25Å; A576-I580 WeakPolarHBondContact O-CG1 3.08Å; A576-I580 PolarHBondContact O-N 3.39Å; A576-L602 HydrophobicContact CB-CD1 3.93Å; A576-M622 HydrophobicContact CB-CG 3.91Å; A576-L625 HydrophobicContact CB-CD1 3.61Å
577M97.5Very high92.4Very high1 Ų117.9 Ų17.91%0.00511%0.11CC..Hα-helixtrans-57.7-48.1176.5-67.8167.677.200111.4M225 V228 M232 I368 C573 K574 M575 F581 L594 Q597 L602M225-M577 HydrophobicContact CE-CB 4.27Å; M225-M577 HydrophobicContact CE-CE 3.41Å; M225-M577 VanDerWaalsContact CE-CE 3.41Å; M225-M577 HydrophobicContact CE-SD 3.78Å; M225-M577 HydrophobicContact SD-CB 4.23Å; V228-M577 HydrophobicContact CG1-CB 4.43Å; V228-M577 HydrophobicContact CG1-CE 4.15Å; M232-M577 HydrophobicContact CE-CE 4.23Å; M232-M577 HydrophobicContact SD-CE 3.62Å; I368-M577 HydrophobicContact CD1-CE 4.16Å; I368-M577 HydrophobicContact CD1-SD 4.25Å; C573-M577 VanDerWaalsContact O-CG 3.25Å; C573-M577 WeakPolarHBondContact O-CG 3.26Å; C573-M577 PolarHBondContact O-N 3.32Å; K574-M577 WeakPolarHBondContact O-CB 3.26Å; K574-M577 PolarHBondContact O-N 2.83Å; M575-M577 PolarHBondContact O-N 2.88Å; M577-F581 WeakPolarHBondContact O-CB 3.49Å; M577-F581 PolarHBondContact O-N 3.05Å; M577-L594 HydrophobicContact CB-CD2 4.22Å; M577-L594 HydrophobicContact CE-CD2 3.69Å; M577-L594 HydrophobicContact CG-CD2 4.03Å; M577-Q597 HydrophobicContact CE-CB 4.03Å; M577-Q597 HydrophobicContact SD-CB 4.07Å; M577-Q597 HydrophobicContact SD-CG 3.95Å; M577-L602 HydrophobicContact CG-CD1 4.09Å; M577-L602 HydrophobicContact CG-CD2 3.51Å; M577-L602 HydrophobicContact CG-CG 4.47Å; M577-L602 HydrophobicContact SD-CD2 4.08Å
578I96.8Very high93.4Very high7 Ų723.9 Ų23.94%0.03615%0.152CC..Hα-helixtrans-65-49.9-178.6-66.8158.3000111I221 R224 M225 V228 K574 M575 A576 F581 N582I221-I578 HydrophobicContact CB-CD1 4.46Å; I221-I578 HydrophobicContact CG2-CD1 4.39Å; I221-I578 WeakPolarHBondContact O-CD1 3.4Å; R224-I578 HydrophobicContact CB-CD1 3.86Å; R224-I578 HydrophobicContact CB-CG1 3.97Å; R224-I578 HydrophobicContact CB-CG2 3.95Å; R224-I578 HydrophobicContact CG-CG2 4.41Å; M225-I578 HydrophobicContact CG-CD1 4Å; M225-I578 HydrophobicContact CG-CG1 4.31Å; M225-I578 HydrophobicContact SD-CD1 3.79Å; M225-I578 HydrophobicContact SD-CG1 3.53Å; M225-I578 VanDerWaalsContact SD-CG1 3.53Å; V228-I578 HydrophobicContact CG2-CG1 4.45Å; K574-I578 WeakPolarHBondContact O-CD1 3.44Å; K574-I578 VanDerWaalsContact O-CG1 3.23Å; K574-I578 WeakPolarHBondContact O-CG1 3.42Å; K574-I578 PolarHBondContact O-N 3.08Å; M575-I578 PolarHBondContact O-N 3.39Å; M575-I578 HydrophobicContact SD-CD1 4.41Å; A576-I578 PolarHBondContact O-N 3.15Å; I578-F581 PolarHBondContact O-N 2.81Å; I578-N582 WeakPolarHBondContact O-CB 3.36Å; I578-N582 VanDerWaalsContact O-CG 3.22Å; I578-N582 PolarHBondContact O-N 3.42Å; I578-N582 PolarHBondContact O-ND2 3.04Å
579T96.8Very high93.6Very high41 Ų4126.4 Ų26.425%0.25217%0.17SC..Hα-helixtrans-64.2-46.6-176.5-56.80000111M575 F581 N582 L583 T621M575-T579 WeakPolarHBondContact O-CB 3.33Å; M575-T579 PolarHBondContact O-N 3.43Å; M575-T579 PolarHBondContact O-OG1 3.39Å; T579-F581 PolarHBondContact O-N 3.29Å; T579-N582 PolarHBondContact O-N 2.9Å; T579-L583 HydrophobicContact CG2-CD1 4.25Å; T579-L583 VanDerWaalsContact O-CG 3.31Å; T579-L583 WeakPolarHBondContact O-CG 3.15Å; T579-L583 PolarHBondContact O-N 3.35Å; T579-T621 HydrophobicContact CG2-CG2 3.48Å; T579-T621 VanDerWaalsContact CG2-CG2 3.48Å
580I97.3Very high93.8Very high1 Ų126.5 Ų26.51%0.00517%0.169CC..Hα-helixtrans-64.2-43.1176.8-64.3165.3000110.4A576 N582 L583 V584 L602 Y604 F614 V618 T621 M622A576-I580 WeakPolarHBondContact O-CB 2.88Å; A576-I580 WeakPolarHBondContact O-CD1 3.36Å; A576-I580 VanDerWaalsContact O-CG1 3.25Å; A576-I580 WeakPolarHBondContact O-CG1 3.08Å; A576-I580 PolarHBondContact O-N 3.39Å; I580-N582 VanDerWaalsContact C-N 3.31Å; I580-N582 PolarHBondContact O-N 3.49Å; I580-L583 PolarHBondContact O-N 2.94Å; I580-V584 HydrophobicContact CG2-CG2 4.17Å; I580-V584 VanDerWaalsContact O-CG2 3.31Å; I580-V584 WeakPolarHBondContact O-CG2 3.41Å; I580-V584 PolarHBondContact O-N 3.29Å; I580-L602 HydrophobicContact CD1-CD1 4.24Å; I580-Y604 VanDerWaalsContact CD1-OH 3.3Å; I580-Y604 WeakPolarHBondContact CD1-OH 3.32Å; I580-Y604 HydrophobicContact CG2-CE1 3.93Å; I580-Y604 WeakPolarHBondContact CG2-OH 3.35Å; I580-F614 HydrophobicContact CG2-CE2 4.21Å; I580-F614 HydrophobicContact CG2-CZ 4.08Å; I580-V618 HydrophobicContact CD1-CB 4.43Å; I580-V618 HydrophobicContact CD1-CG1 3.95Å; I580-V618 HydrophobicContact CD1-CG2 4.22Å; I580-V618 HydrophobicContact CG2-CG2 4.25Å; I580-T621 HydrophobicContact CG1-CG2 3.75Å; I580-M622 HydrophobicContact CD1-CG 3.91Å; I580-M622 HydrophobicContact CD1-SD 4.26Å
581F96.5Very high94Very high14 Ų1427.6 Ų27.66%0.06118%0.176CC..Hα-helixtrans-58.9-42.1178179-95.5000112.1W132 A136 V228 V231 M577 I578 T579 V584 S585W132-F581 HydrophobicContact CE3-CD2 4.4Å; W132-F581 AromaticContact CE3-CE2 3.52Å; W132-F581 HydrophobicContact CE3-CE2 3.52Å; W132-F581 AromaticContact CE3-CZ 3.73Å; W132-F581 HydrophobicContact CE3-CZ 3.73Å; W132-F581 HydrophobicContact CH2-CD2 4.4Å; W132-F581 HydrophobicContact CH2-CE2 4.28Å; W132-F581 AromaticContact CZ3-CD2 3.72Å; W132-F581 HydrophobicContact CZ3-CD2 3.72Å; W132-F581 HydrophobicContact CZ3-CE1 4.36Å; W132-F581 AromaticContact CZ3-CE2 3.26Å; W132-F581 HydrophobicContact CZ3-CE2 3.26Å; W132-F581 HydrophobicContact CZ3-CG 4.44Å; W132-F581 AromaticContact CZ3-CZ 3.63Å; W132-F581 HydrophobicContact CZ3-CZ 3.63Å; A136-F581 HydrophobicContact CB-CD1 4.34Å; A136-F581 HydrophobicContact CB-CE1 3.44Å; A136-F581 VanDerWaalsContact CB-CE1 3.44Å; A136-F581 HydrophobicContact CB-CZ 3.81Å; V228-F581 HydrophobicContact CG1-CD2 4.43Å; V228-F581 HydrophobicContact CG2-CB 4.07Å; V228-F581 HydrophobicContact CG2-CD1 3.8Å; V228-F581 HydrophobicContact CG2-CD2 4.2Å; V228-F581 HydrophobicContact CG2-CE1 4.21Å; V228-F581 HydrophobicContact CG2-CG 3.79Å; V231-F581 HydrophobicContact CB-CE2 4.01Å; V231-F581 HydrophobicContact CB-CZ 4.41Å; V231-F581 HydrophobicContact CG1-CE2 4.09Å; V231-F581 HydrophobicContact CG2-CE2 4.05Å; V231-F581 HydrophobicContact CG2-CZ 3.95Å; M577-F581 WeakPolarHBondContact O-CB 3.49Å; M577-F581 PolarHBondContact O-N 3.05Å; I578-F581 PolarHBondContact O-N 2.81Å; T579-F581 PolarHBondContact O-N 3.29Å; F581-V584 PolarHBondContact O-N 2.99Å; F581-S585 VanDerWaalsContact O-CB 3.27Å; F581-S585 WeakPolarHBondContact O-CB 3.33Å; F581-S585 PolarHBondContact O-N 3.24Å; F581-S585 PolarHBondContact O-OG 3.26Å
582N94.9Very high94.1Very high52 Ų5227.7 Ų27.728%0.27818%0.177SC..Hα-helixtrans-67.2-39.1176.8-70.7-20.7000112.9I578 T579 I580 S585 S586I578-N582 WeakPolarHBondContact O-CB 3.36Å; I578-N582 VanDerWaalsContact O-CG 3.22Å; I578-N582 PolarHBondContact O-N 3.42Å; I578-N582 PolarHBondContact O-ND2 3.04Å; T579-N582 PolarHBondContact O-N 2.9Å; I580-N582 VanDerWaalsContact C-N 3.31Å; I580-N582 PolarHBondContact O-N 3.49Å; N582-S585 WeakPolarHBondContact CA-OG 3.41Å; N582-S585 PolarHBondContact O-OG 2.78Å; N582-S586 WeakPolarHBondContact O-CB 3.48Å; N582-S586 PolarHBondContact O-N 3.36Å; N582-S586 PolarHBondContact O-OG 3.45Å
583L95.5Very high94.2Very high71 Ų7130.5 Ų30.537%0.37219%0.188SC..Hα-helixtrans-65.3-43.5176.2-70.7168.7000111.5T579 I580 S587 L617 T621T579-L583 HydrophobicContact CG2-CD1 4.25Å; T579-L583 VanDerWaalsContact O-CG 3.31Å; T579-L583 WeakPolarHBondContact O-CG 3.15Å; T579-L583 PolarHBondContact O-N 3.35Å; I580-L583 PolarHBondContact O-N 2.94Å; L583-S587 WeakPolarHBondContact O-CB 3.4Å; L583-S587 PolarHBondContact O-N 3.2Å; L583-S587 VanDerWaalsContact O-N 3.16Å; L583-L617 HydrophobicContact CD1-CD1 4.26Å; L583-T621 HydrophobicContact CD1-CG2 3.9Å; L583-T621 WeakPolarHBondContact CD1-OG1 3.36Å
584V94.9Very high94.3Very high3 Ų331 Ų312%0.01819%0.19CC..Hα-helixtrans-69.7-39.5178.3177.70000111.5W132 K133 I580 F581 S586 S587 L590 A592 F614W132-V584 HydrophobicContact CH2-CB 4.26Å; W132-V584 HydrophobicContact CH2-CG1 3.77Å; W132-V584 HydrophobicContact CZ2-CG1 3.93Å; K133-V584 WeakPolarHBondContact CE-O 3.5Å; K133-V584 PolarHBondContact NZ-O 3.17Å; I580-V584 HydrophobicContact CG2-CG2 4.17Å; I580-V584 VanDerWaalsContact O-CG2 3.31Å; I580-V584 WeakPolarHBondContact O-CG2 3.41Å; I580-V584 PolarHBondContact O-N 3.29Å; F581-V584 PolarHBondContact O-N 2.99Å; V584-S586 VanDerWaalsContact C-N 3.33Å; V584-S586 PolarHBondContact O-N 3.35Å; V584-S587 PolarHBondContact O-N 2.59Å; V584-L590 HydrophobicContact CG1-CB 4.23Å; V584-L590 HydrophobicContact CG2-CD1 4.45Å; V584-A592 WeakPolarHBondContact CG1-O 3.25Å; V584-F614 HydrophobicContact CG2-CD2 4.45Å; V584-F614 HydrophobicContact CG2-CE2 3.56Å; V584-F614 HydrophobicContact CG2-CZ 4.33Å
585S92.6Very high94.3Very high20 Ų2031.1 Ų31.114%0.1419%0.191CC..Hα-helixtrans-67.3-34.7179.268.20000112.5A136 F581 N582A136-S585 VanDerWaalsContact CB-CB 3.44Å; F581-S585 VanDerWaalsContact O-CB 3.27Å; F581-S585 WeakPolarHBondContact O-CB 3.33Å; F581-S585 PolarHBondContact O-N 3.24Å; F581-S585 PolarHBondContact O-OG 3.26Å; N582-S585 WeakPolarHBondContact CA-OG 3.41Å; N582-S585 PolarHBondContact O-OG 2.78Å
586S92.5Very high94.2Very high105 Ų10530.7 Ų30.773%0.73419%0.189SC*.Hα-helixtrans-79.3-19.5178.1-54.40000113.3N582 V584N582-S586 WeakPolarHBondContact O-CB 3.48Å; N582-S586 PolarHBondContact O-N 3.36Å; N582-S586 PolarHBondContact O-OG 3.45Å; V584-S586 VanDerWaalsContact C-N 3.33Å; V584-S586 PolarHBondContact O-N 3.35Å
587S91.9Very high94Very high28 Ų2831 Ų3120%0.19619%0.19CC..  trans-85.2130.3178.2-1710000111.6K133 L583 V584 S589 L590K133-S587 PolarHBondContact NZ-O 3.34Å; L583-S587 WeakPolarHBondContact O-CB 3.4Å; L583-S587 PolarHBondContact O-N 3.2Å; L583-S587 VanDerWaalsContact O-N 3.16Å; V584-S587 PolarHBondContact O-N 2.59Å; S587-S589 VanDerWaalsContact C-N 3.34Å; S587-S589 PolarHBondContact OG-N 3.37Å; S587-S589 PolarHBondContact OG-OG 3.37Å; S587-S589 VanDerWaalsContact OG-OG 3.05Å; S587-L590 PolarHBondContact OG-N 3.28Å
588S86.4Confident93.6Very high126 Ų12631 Ų3188%0.88119%0.19SC*.SBendtrans-72.7-29.516954.90000112.5
589S89.9Confident93Very high53 Ų5334.7 Ų34.737%0.37121%0.207SC..SBendtrans-83.2-29.7-174.366.30000114.5S587 Q610 K613S587-S589 VanDerWaalsContact C-N 3.34Å; S587-S589 PolarHBondContact OG-N 3.37Å; S587-S589 PolarHBondContact OG-OG 3.37Å; S587-S589 VanDerWaalsContact OG-OG 3.05Å; S589-Q610 PolarHBondContact O-NE2 2.75Å; S589-Q610 PolarHBondContact O-OE1 3.02Å; S589-K613 PolarHBondContact OG-NZ 2.87Å
590L92.7Very high92.6Very high11 Ų1134.2 Ų34.26%0.05820%0.203CC..  trans-86127.4-173.6-63.4172.8000111.6K133 V584 S587 K613 L617K133-L590 PolarHBondContact NZ-O 2.82Å; V584-L590 HydrophobicContact CG1-CB 4.23Å; V584-L590 HydrophobicContact CG2-CD1 4.45Å; S587-L590 PolarHBondContact OG-N 3.28Å; L590-K613 HydrophobicContact CD2-CD 4.44Å; L590-L617 HydrophobicContact CD1-CD2 3.57Å
591S91.4Very high92.4Very high30 Ų3035 Ų3521%0.2121%0.207CC..  trans-107.5-1.7-179.465.80000113.8W413 E607 Q610W413-S591 WeakPolarHBondContact CH2-O 3.4Å; S591-E607 WeakPolarHBondContact OG-CB 3.41Å; S591-E607 PolarHBondContact OG-OE2 3.46Å; S591-Q610 PolarHBondContact OG-OE1 3.35Å
592A94.8Very high92.4Very high2 Ų234.4 Ų34.42%0.01720%0.204CC..  trans-54.6143.8-17800000113.5V584 E605 V606 F614V584-A592 WeakPolarHBondContact CG1-O 3.25Å; A592-E605 CarbonylContact C-O 3.6Å; A592-E605 WeakPolarHBondContact CA-O 3.21Å; A592-V606 HydrophobicContact CB-CG1 4.31Å; A592-V606 HydrophobicContact CB-CG2 4.04Å; A592-F614 HydrophobicContact CB-CD1 3.9Å; A592-F614 HydrophobicContact CB-CD2 3.71Å; A592-F614 HydrophobicContact CB-CE1 3.64Å; A592-F614 HydrophobicContact CB-CE2 3.47Å; A592-F614 VanDerWaalsContact CB-CE2 3.47Å; A592-F614 HydrophobicContact CB-CG 3.94Å; A592-F614 HydrophobicContact CB-CZ 3.42Å; A592-F614 VanDerWaalsContact CB-CZ 3.42Å
593R93.8Very high92.5Very high60 Ų6032 Ų3223%0.22619%0.191CC..EExtended strand (participates in β ladder)trans-130.9129.3-179-65.6177.1-178.1155.52.4110.8L595 Y604 E605R593-L595 PolarHBondContact O-N 3.32Å; R593-Y604 CarbonylContact O-C 3.58Å; R593-Y604 WeakPolarHBondContact O-CA 3.39Å; R593-E605 PolarHBondContact N-O 3.12Å; R593-E605 PolarHBondContact O-N 3.36Å
594L95.9Very high92.6Very high14 Ų1428.8 Ų28.87%0.07317%0.174CC..EExtended strand (participates in β ladder)trans-73.2120.7170.9-178.461.2000109.3V228 M232 M577 L602 Y604V228-L594 HydrophobicContact CG1-CD2 3.85Å; M232-L594 HydrophobicContact CE-CD2 4.38Å; M232-L594 HydrophobicContact CE-CG 4.19Å; M232-L594 HydrophobicContact CG-CB 4.38Å; M232-L594 HydrophobicContact CG-CD2 4.16Å; M232-L594 HydrophobicContact CG-CG 4.06Å; M232-L594 HydrophobicContact SD-CD2 3.62Å; M232-L594 HydrophobicContact SD-CG 3.91Å; M577-L594 HydrophobicContact CB-CD2 4.22Å; M577-L594 HydrophobicContact CE-CD2 3.69Å; M577-L594 HydrophobicContact CG-CD2 4.03Å; L594-L602 HydrophobicContact CD1-CB 4.3Å; L594-Y604 HydrophobicContact CB-CD1 4.02Å; L594-Y604 HydrophobicContact CB-CE1 3.74Å; L594-Y604 HydrophobicContact CD1-CD1 4.2Å; L594-Y604 HydrophobicContact CD1-CE1 3.78Å; L594-Y604 HydrophobicContact CD1-CE2 4.15Å; L594-Y604 HydrophobicContact CG-CE1 4.28Å
595L94.4Very high92.7Very high6 Ų628.8 Ų28.83%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-100.1-45.3-178.3-65.9-176000112.4H235 I237 F415 R593 L603 E605H235-L595 HydrophobicContact CB-CD2 4.41Å; I237-L595 HydrophobicContact CD1-CB 4.05Å; I237-L595 HydrophobicContact CD1-CD1 4.32Å; I237-L595 HydrophobicContact CG1-CB 4.25Å; I237-L595 HydrophobicContact CG1-CD1 4.08Å; I237-L595 HydrophobicContact CG1-CD2 4.34Å; I237-L595 HydrophobicContact CG1-CG 4.47Å; F415-L595 HydrophobicContact CD1-CD1 3.89Å; F415-L595 HydrophobicContact CE1-CD1 3.4Å; F415-L595 VanDerWaalsContact CE1-CD1 3.4Å; F415-L595 HydrophobicContact CZ-CD1 4.39Å; R593-L595 PolarHBondContact O-N 3.32Å; L595-L603 PolarHBondContact N-O 3.22Å; L595-E605 HydrophobicContact CD1-CB 3.72Å; L595-E605 HydrophobicContact CD1-CG 4.4Å; L595-E605 HydrophobicContact CD2-CB 4.22Å; L595-E605 HydrophobicContact CG-CB 3.98Å
596A94.1Very high92.9Very high0 Ų027.8 Ų27.80%017%0.167CC..EExtended strand (participates in β ladder)trans-151.9153.5-175.600000111.6W358 F375 L598 L603W358-A596 HydrophobicContact CH2-CB 4Å; W358-A596 HydrophobicContact CZ2-CB 3.94Å; F375-A596 HydrophobicContact CD2-CB 4.37Å; A596-L598 HydrophobicContact CB-CD1 3.93Å; A596-L603 HydrophobicContact CB-CB 4.33Å; A596-L603 HydrophobicContact CB-CD2 4.4Å; A596-L603 PolarHBondContact N-O 3.2Å; A596-L603 PolarHBondContact O-N 3.29Å
597Q93.7Very high93.1Very high5 Ų526.1 Ų26.12%0.02315%0.148CC..EExtended strand (participates in β ladder)trans-117.5128.6166.7173.4-89-11.800108.4W358 Q376 M577 H599 E601 L602W358-Q597 WeakPolarHBondContact CH2-O 3.48Å; Q376-Q597 WeakPolarHBondContact CG-O 3.37Å; M577-Q597 HydrophobicContact CE-CB 4.03Å; M577-Q597 HydrophobicContact SD-CB 4.07Å; M577-Q597 HydrophobicContact SD-CG 3.95Å; Q597-H599 PolarHBondContact NE2-O 3.42Å; Q597-E601 CarbonylContact C-O 3.56Å; Q597-E601 WeakPolarHBondContact CA-O 3.22Å; Q597-L602 HydrophobicContact CB-CD2 4.03Å; Q597-L602 HydrophobicContact CG-CD2 3.79Å
598L89.6Confident93.3Very high2 Ų227.9 Ų27.91%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-124.791.3-180-64.890.4000108.7F375 A596 D600 E601 L603 W649F375-L598 VanDerWaalsContact O-CD2 3.32Å; F375-L598 WeakPolarHBondContact O-CD2 3.33Å; A596-L598 HydrophobicContact CB-CD1 3.93Å; L598-D600 PolarHBondContact O-N 2.92Å; L598-E601 HydrophobicContact CB-CB 4.23Å; L598-E601 PolarHBondContact N-O 3.34Å; L598-E601 WeakPolarHBondContact O-CB 3.5Å; L598-E601 PolarHBondContact O-N 2.96Å; L598-L603 HydrophobicContact CD1-CB 4.44Å; L598-W649 HydrophobicContact CD1-CH2 3.78Å; L598-W649 HydrophobicContact CD1-CZ2 3.37Å; L598-W649 HydrophobicContact CD2-CH2 3.75Å; L598-W649 HydrophobicContact CD2-CZ2 3.38Å; L598-W649 HydrophobicContact CG-CH2 4.28Å; L598-W649 HydrophobicContact CG-CZ2 3.98Å
599H83.8Confident93.8Very high84 Ų8426.5 Ų26.539%0.38915%0.145SC..THydrogen-bonded Turntrans56.9-103.1-176.3-56.2-77.4000112.2Q597Q597-H599 PolarHBondContact NE2-O 3.42Å
600D87.9Confident94.1Very high32 Ų3225.3 Ų25.317%0.17113%0.134CC..THydrogen-bonded Turntrans-96.8-2.3179.344.5-12.4000113.9R380 F420 V423 L598R380-D600 IonicContact NH2-OD1 3.3Å; F420-D600 HydrophobicContact CB-CB 4.3Å; F420-D600 PolarHBondContact N-O 3.35Å; V423-D600 HydrophobicContact CG1-CB 4.09Å; L598-D600 PolarHBondContact O-N 2.92Å
601E93.4Very high94.3Very high18 Ų1825.5 Ų25.58%0.08414%0.135CC..EExtended strand (participates in β ladder)trans-101.5130.7-178.9-173.7-175.8119.100111.5R380 R404 A417 A418 D419 Q597 L598R380-E601 IonicContact CZ-OE2 3.83Å; R380-E601 IonicContact NE-OE2 3.21Å; R380-E601 PolarHBondContact NE-OE2 3.48Å; R380-E601 IonicContact NH2-OE2 3.01Å; R380-E601 PolarHBondContact NH2-OE2 3.12Å; R404-E601 IonicContact NH1-OE1 3.42Å; R404-E601 PolarHBondContact NH1-OE1 3.32Å; R404-E601 IonicContact NH1-OE2 3.36Å; A417-E601 HydrophobicContact CB-CG 4.23Å; A418-E601 CarbonylContact O-C 3.58Å; A418-E601 WeakPolarHBondContact O-CA 3.44Å; D419-E601 HydrophobicContact CB-CB 4.3Å; D419-E601 HydrophobicContact CB-CG 4.42Å; D419-E601 WeakPolarHBondContact OD1-CB 3.42Å; Q597-E601 CarbonylContact C-O 3.56Å; Q597-E601 WeakPolarHBondContact CA-O 3.22Å; L598-E601 HydrophobicContact CB-CB 4.23Å; L598-E601 PolarHBondContact N-O 3.34Å; L598-E601 WeakPolarHBondContact O-CB 3.5Å; L598-E601 PolarHBondContact O-N 2.96Å
602L96.7Very high94.4Very high1 Ų131 Ų311%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-108.1122.3172-57.2-176.7000109.5A417 A418 A576 M577 I580 L594 Q597 Y604 M622A417-L602 CarbonylContact C-O 3.58Å; A417-L602 VanDerWaalsContact CA-O 3.31Å; A417-L602 WeakPolarHBondContact CA-O 3.31Å; A418-L602 PolarHBondContact N-O 3.22Å; A418-L602 PolarHBondContact O-N 3.47Å; A576-L602 HydrophobicContact CB-CD1 3.93Å; M577-L602 HydrophobicContact CG-CD1 4.09Å; M577-L602 HydrophobicContact CG-CD2 3.51Å; M577-L602 HydrophobicContact CG-CG 4.47Å; M577-L602 HydrophobicContact SD-CD2 4.08Å; I580-L602 HydrophobicContact CD1-CD1 4.24Å; L594-L602 HydrophobicContact CD1-CB 4.3Å; Q597-L602 HydrophobicContact CB-CD2 4.03Å; Q597-L602 HydrophobicContact CG-CD2 3.79Å; L602-Y604 HydrophobicContact CB-CD2 4.35Å; L602-Y604 HydrophobicContact CB-CE2 3.56Å; L602-Y604 HydrophobicContact CD1-CE2 4.38Å; L602-M622 HydrophobicContact CD1-CE 4.44Å; L602-M622 HydrophobicContact CD1-SD 4.24Å
603L96.7Very high94.5Very high0 Ų037.2 Ų37.20%018%0.184CC..EExtended strand (participates in β ladder)trans-104.6121.8-179.9-176.972.4000110.8F415 A417 L595 A596 L598 W649 M652F415-L603 HydrophobicContact CB-CD1 4.07Å; F415-L603 HydrophobicContact CG-CD1 4.35Å; A417-L603 HydrophobicContact CB-CD1 4.22Å; L595-L603 PolarHBondContact N-O 3.22Å; A596-L603 HydrophobicContact CB-CB 4.33Å; A596-L603 HydrophobicContact CB-CD2 4.4Å; A596-L603 PolarHBondContact N-O 3.2Å; A596-L603 PolarHBondContact O-N 3.29Å; L598-L603 HydrophobicContact CD1-CB 4.44Å; L603-W649 HydrophobicContact CD1-CG 4.47Å; L603-W649 HydrophobicContact CD2-CD2 3.74Å; L603-W649 HydrophobicContact CD2-CE3 3.97Å; L603-W649 HydrophobicContact CD2-CG 4.26Å; L603-W649 HydrophobicContact CD2-CH2 4.04Å; L603-W649 HydrophobicContact CD2-CZ2 3.82Å; L603-W649 HydrophobicContact CD2-CZ3 4.11Å; L603-M652 HydrophobicContact CD1-CE 4.49Å; L603-M652 HydrophobicContact CD1-SD 4.47Å
604Y97.4Very high94.6Very high5 Ų534.3 Ų34.32%0.0217%0.173CC..EExtended strand (participates in β ladder)trans-114.1150.9178.4-63.2-93.2000111.9F415 L416 I580 R593 L594 L602 F614F415-Y604 CarbonylContact C-O 3.44Å; F415-Y604 VanDerWaalsContact CA-O 3.28Å; F415-Y604 WeakPolarHBondContact CA-O 3.31Å; L416-Y604 HydrophobicContact CD2-CD2 4.27Å; L416-Y604 PolarHBondContact N-O 3.17Å; L416-Y604 PolarHBondContact O-N 3.28Å; I580-Y604 VanDerWaalsContact CD1-OH 3.3Å; I580-Y604 WeakPolarHBondContact CD1-OH 3.32Å; I580-Y604 HydrophobicContact CG2-CE1 3.93Å; I580-Y604 WeakPolarHBondContact CG2-OH 3.35Å; R593-Y604 CarbonylContact O-C 3.58Å; R593-Y604 WeakPolarHBondContact O-CA 3.39Å; L594-Y604 HydrophobicContact CB-CD1 4.02Å; L594-Y604 HydrophobicContact CB-CE1 3.74Å; L594-Y604 HydrophobicContact CD1-CD1 4.2Å; L594-Y604 HydrophobicContact CD1-CE1 3.78Å; L594-Y604 HydrophobicContact CD1-CE2 4.15Å; L594-Y604 HydrophobicContact CG-CE1 4.28Å; L602-Y604 HydrophobicContact CB-CD2 4.35Å; L602-Y604 HydrophobicContact CB-CE2 3.56Å; L602-Y604 HydrophobicContact CD1-CE2 4.38Å; Y604-F614 AromaticContact CD1-CE1 3.84Å; Y604-F614 HydrophobicContact CD1-CE1 3.84Å; Y604-F614 AromaticContact CD1-CZ 3.66Å; Y604-F614 HydrophobicContact CD1-CZ 3.66Å; Y604-F614 HydrophobicContact CD2-CE1 4.1Å; Y604-F614 HydrophobicContact CD2-CZ 4.46Å; Y604-F614 HydrophobicContact CE1-CE1 4.42Å; Y604-F614 AromaticContact CE1-CZ 3.89Å; Y604-F614 HydrophobicContact CE1-CZ 3.89Å; Y604-F614 AromaticContact CG-CE1 3.68Å; Y604-F614 HydrophobicContact CG-CE1 3.68Å; Y604-F614 AromaticContact CG-CZ 3.99Å; Y604-F614 HydrophobicContact CG-CZ 3.99Å
605E96.5Very high94.7Very high2 Ų233.7 Ų33.71%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-101.1124.9160.5-155.7178.1-143.900107.8P409 R410 W413 F415 A592 R593 L595P409-E605 WeakPolarHBondContact CA-OE1 3.45Å; P409-E605 HydrophobicContact CB-CG 4.21Å; R410-E605 WeakPolarHBondContact CG-OE1 3.24Å; R410-E605 PolarHBondContact N-OE1 3.27Å; R410-E605 IonicContact NE-OE1 3.89Å; R410-E605 IonicContact NE-OE2 3.65Å; R410-E605 PolarHBondContact NE-OE2 3.43Å; W413-E605 HydrophobicContact CB-CG 4.16Å; W413-E605 HydrophobicContact CD2-CG 4.38Å; W413-E605 HydrophobicContact CE3-CB 4.24Å; W413-E605 HydrophobicContact CE3-CG 3.8Å; F415-E605 HydrophobicContact CD1-CB 4.49Å; F415-E605 HydrophobicContact CD1-CG 4.37Å; F415-E605 HydrophobicContact CE1-CG 4.21Å; A592-E605 CarbonylContact C-O 3.6Å; A592-E605 WeakPolarHBondContact CA-O 3.21Å; R593-E605 PolarHBondContact N-O 3.12Å; R593-E605 PolarHBondContact O-N 3.36Å; L595-E605 HydrophobicContact CD1-CB 3.72Å; L595-E605 HydrophobicContact CD1-CG 4.4Å; L595-E605 HydrophobicContact CD2-CB 4.22Å; L595-E605 HydrophobicContact CG-CB 3.98Å
606V96.8Very high94.8Very high0 Ų035.9 Ų35.90%019%0.189CC..EExtended strand (participates in β ladder)trans-132.7139.2-173.8-168.80000109.2W413 S414 L416 A592 Q610 V611 F614W413-V606 CarbonylContact C-O 3.59Å; W413-V606 VanDerWaalsContact CA-O 3.28Å; W413-V606 WeakPolarHBondContact CA-O 3.48Å; W413-V606 WeakPolarHBondContact CB-O 3.38Å; S414-V606 PolarHBondContact N-O 2.93Å; S414-V606 PolarHBondContact O-N 2.97Å; L416-V606 HydrophobicContact CB-CG2 3.87Å; A592-V606 HydrophobicContact CB-CG1 4.31Å; A592-V606 HydrophobicContact CB-CG2 4.04Å; V606-Q610 HydrophobicContact CG1-CB 4.06Å; V606-V611 HydrophobicContact CB-CG2 4.49Å; V606-V611 HydrophobicContact CG1-CG2 4.42Å; V606-F614 HydrophobicContact CB-CD1 4.4Å; V606-F614 HydrophobicContact CG1-CB 3.99Å; V606-F614 HydrophobicContact CG1-CD1 4.04Å; V606-F614 HydrophobicContact CG1-CG 4.19Å; V606-F614 HydrophobicContact CG2-CD1 3.41Å; V606-F614 VanDerWaalsContact CG2-CD1 3.41Å; V606-F614 HydrophobicContact CG2-CE1 3.7Å; V606-F614 HydrophobicContact CG2-CG 4.33Å
607E96.7Very high94.9Very high70 Ų7038 Ų3833%0.32720%0.2SC..EExtended strand (participates in β ladder)trans-63.9139.3173.1-172.7-178.517200110.4W413 S591 S609 Q610 V611W413-E607 HydrophobicContact CD2-CB 4.34Å; W413-E607 HydrophobicContact CE3-CB 4.47Å; W413-E607 VanDerWaalsContact CE3-N 3.32Å; W413-E607 HydrophobicContact CZ2-CB 4.41Å; S591-E607 WeakPolarHBondContact OG-CB 3.41Å; S591-E607 PolarHBondContact OG-OE2 3.46Å; E607-S609 PolarHBondContact O-N 3.32Å; E607-S609 VanDerWaalsContact O-N 3.15Å; E607-S609 PolarHBondContact OE1-OG 3.38Å; E607-Q610 HydrophobicContact CB-CG 4.22Å; E607-Q610 PolarHBondContact O-N 3.02Å; E607-Q610 PolarHBondContact OE2-NE2 3.43Å; E607-V611 PolarHBondContact O-N 2.76Å
608D96.4Very high95.1Very high65 Ų6537.8 Ų37.835%0.34820%0.199SC..G310 helixtrans-55.8-38.4-172-71.7-20000113.1G412 W413 S414 Q610 V611 K647G412-D608 VanDerWaalsContact C-CG 3.44Å; G412-D608 VanDerWaalsContact C-OD2 3.26Å; G412-D608 WeakPolarHBondContact CA-OD2 3.48Å; G412-D608 VanDerWaalsContact O-CG 3.26Å; G412-D608 PolarHBondContact O-N 2.91Å; W413-D608 WeakPolarHBondContact CA-OD1 3.24Å; S414-D608 WeakPolarHBondContact CB-OD1 3.44Å; S414-D608 PolarHBondContact N-OD1 2.96Å; S414-D608 PolarHBondContact OG-OD1 3.33Å; D608-Q610 PolarHBondContact O-N 3.1Å; D608-V611 PolarHBondContact O-N 3.26Å; D608-K647 IonicContact OD1-NZ 2.73Å; D608-K647 PolarHBondContact OD1-NZ 3.04Å; D608-K647 IonicContact OD2-NZ 3.61Å; D608-K647 PolarHBondContact OD2-NZ 2.94Å
609S96.4Very high95.5Very high96 Ų9639.7 Ų39.767%0.67121%0.206SC*.G310 helixtrans-64.5-16.8178.161.70000114E607E607-S609 PolarHBondContact O-N 3.32Å; E607-S609 VanDerWaalsContact O-N 3.15Å; E607-S609 PolarHBondContact OE1-OG 3.38Å
610Q96.6Very high96.1Very high29 Ų2938.9 Ų38.914%0.13621%0.21CC..G310 helixtrans-110.3-4.2-173.5-52.8-168.6-100113.5S589 S591 V606 E607 D608 E612 K613 F614S589-Q610 PolarHBondContact O-NE2 2.75Å; S589-Q610 PolarHBondContact O-OE1 3.02Å; S591-Q610 PolarHBondContact OG-OE1 3.35Å; V606-Q610 HydrophobicContact CG1-CB 4.06Å; E607-Q610 HydrophobicContact CB-CG 4.22Å; E607-Q610 PolarHBondContact O-N 3.02Å; E607-Q610 PolarHBondContact OE2-NE2 3.43Å; D608-Q610 PolarHBondContact O-N 3.1Å; Q610-E612 PolarHBondContact O-N 3.48Å; Q610-K613 PolarHBondContact O-N 3.23Å; Q610-F614 VanDerWaalsContact O-CB 3.28Å; Q610-F614 WeakPolarHBondContact O-CB 3.39Å; Q610-F614 PolarHBondContact O-N 3.47Å
611V96.3Very high96.5Very high15 Ų1537.8 Ų37.89%0.09120%0.204CC..Hα-helixtrans-54.9-52.9-170.6168.10000112.2V606 E607 D608 F614 A615 V645V606-V611 HydrophobicContact CB-CG2 4.49Å; V606-V611 HydrophobicContact CG1-CG2 4.42Å; E607-V611 PolarHBondContact O-N 2.76Å; D608-V611 PolarHBondContact O-N 3.26Å; V611-F614 PolarHBondContact O-N 3.4Å; V611-A615 VanDerWaalsContact O-CB 3.23Å; V611-A615 WeakPolarHBondContact O-CB 3.25Å; V611-A615 PolarHBondContact O-N 3.39Å; V611-V645 HydrophobicContact CG1-CB 4.39Å; V611-V645 HydrophobicContact CG1-CG1 3.86Å; V611-V645 HydrophobicContact CG1-CG2 3.69Å
612E95.4Very high96.7Very high146 Ų14636.9 Ų36.968%0.68220%0.2SC*.Hα-helixtrans-63.9-47.4-176.9-65.9-179.8177.400112.1Q610 F614 A615 A616Q610-E612 PolarHBondContact O-N 3.48Å; E612-F614 VanDerWaalsContact C-N 3.32Å; E612-F614 PolarHBondContact O-N 3.5Å; E612-A615 PolarHBondContact O-N 2.95Å; E612-A616 PolarHBondContact O-N 3.39Å
613K95.8Very high96.7Very high131 Ų13140 Ų4057%0.5722%0.215SC*.Hα-helixtrans-60.1-43.5178.1-176.8-177.7-179.8-176.70111.3S589 L590 Q610 L617S589-K613 PolarHBondContact OG-NZ 2.87Å; L590-K613 HydrophobicContact CD2-CD 4.44Å; Q610-K613 PolarHBondContact O-N 3.23Å; K613-L617 WeakPolarHBondContact O-CB 3.32Å; K613-L617 PolarHBondContact O-N 2.87Å; K613-L617 VanDerWaalsContact O-N 3.16Å
614F97.2Very high96.7Very high0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-73.1-36.3179.9-172.9-109.5000111.9L416 I580 V584 A592 Y604 V606 Q610 V611 E612 L617 V618L416-F614 HydrophobicContact CD1-CD1 4.04Å; L416-F614 HydrophobicContact CD2-CE1 4.42Å; I580-F614 HydrophobicContact CG2-CE2 4.21Å; I580-F614 HydrophobicContact CG2-CZ 4.08Å; V584-F614 HydrophobicContact CG2-CD2 4.45Å; V584-F614 HydrophobicContact CG2-CE2 3.56Å; V584-F614 HydrophobicContact CG2-CZ 4.33Å; A592-F614 HydrophobicContact CB-CD1 3.9Å; A592-F614 HydrophobicContact CB-CD2 3.71Å; A592-F614 HydrophobicContact CB-CE1 3.64Å; A592-F614 HydrophobicContact CB-CE2 3.47Å; A592-F614 VanDerWaalsContact CB-CE2 3.47Å; A592-F614 HydrophobicContact CB-CG 3.94Å; A592-F614 HydrophobicContact CB-CZ 3.42Å; A592-F614 VanDerWaalsContact CB-CZ 3.42Å; Y604-F614 AromaticContact CD1-CE1 3.84Å; Y604-F614 HydrophobicContact CD1-CE1 3.84Å; Y604-F614 AromaticContact CD1-CZ 3.66Å; Y604-F614 HydrophobicContact CD1-CZ 3.66Å; Y604-F614 HydrophobicContact CD2-CE1 4.1Å; Y604-F614 HydrophobicContact CD2-CZ 4.46Å; Y604-F614 HydrophobicContact CE1-CE1 4.42Å; Y604-F614 AromaticContact CE1-CZ 3.89Å; Y604-F614 HydrophobicContact CE1-CZ 3.89Å; Y604-F614 AromaticContact CG-CE1 3.68Å; Y604-F614 HydrophobicContact CG-CE1 3.68Å; Y604-F614 AromaticContact CG-CZ 3.99Å; Y604-F614 HydrophobicContact CG-CZ 3.99Å; V606-F614 HydrophobicContact CB-CD1 4.4Å; V606-F614 HydrophobicContact CG1-CB 3.99Å; V606-F614 HydrophobicContact CG1-CD1 4.04Å; V606-F614 HydrophobicContact CG1-CG 4.19Å; V606-F614 HydrophobicContact CG2-CD1 3.41Å; V606-F614 VanDerWaalsContact CG2-CD1 3.41Å; V606-F614 HydrophobicContact CG2-CE1 3.7Å; V606-F614 HydrophobicContact CG2-CG 4.33Å; Q610-F614 VanDerWaalsContact O-CB 3.28Å; Q610-F614 WeakPolarHBondContact O-CB 3.39Å; Q610-F614 PolarHBondContact O-N 3.47Å; V611-F614 PolarHBondContact O-N 3.4Å; E612-F614 VanDerWaalsContact C-N 3.32Å; E612-F614 PolarHBondContact O-N 3.5Å; F614-L617 HydrophobicContact CD2-CD2 4.12Å; F614-L617 HydrophobicContact CE2-CD2 4.33Å; F614-L617 PolarHBondContact O-N 2.92Å; F614-V618 HydrophobicContact CD1-CG2 3.91Å; F614-V618 HydrophobicContact CD2-CG2 4.21Å; F614-V618 HydrophobicContact CE1-CG2 3.45Å; F614-V618 VanDerWaalsContact CE1-CG2 3.45Å; F614-V618 HydrophobicContact CE2-CG2 3.75Å; F614-V618 HydrophobicContact CG-CG2 4.28Å; F614-V618 HydrophobicContact CZ-CG2 3.35Å; F614-V618 WeakPolarHBondContact O-CB 3.28Å; F614-V618 VanDerWaalsContact O-CG2 3.31Å; F614-V618 WeakPolarHBondContact O-CG2 3.17Å; F614-V618 PolarHBondContact O-N 3.35Å
615A97.3Very high96.6Very high0 Ų043.3 Ų43.30%024%0.238CC..Hα-helixtrans-58.5-48.5173.900000111.7L416 V611 E612 L617 V618 R619 V643 L655L416-A615 HydrophobicContact CD1-CB 3.67Å; V611-A615 VanDerWaalsContact O-CB 3.23Å; V611-A615 WeakPolarHBondContact O-CB 3.25Å; V611-A615 PolarHBondContact O-N 3.39Å; E612-A615 PolarHBondContact O-N 2.95Å; A615-L617 PolarHBondContact O-N 3.16Å; A615-V618 PolarHBondContact O-N 3.08Å; A615-R619 WeakPolarHBondContact O-CB 3.25Å; A615-R619 PolarHBondContact O-N 2.93Å; A615-V643 HydrophobicContact CB-CG1 4.04Å; A615-L655 HydrophobicContact CB-CD2 3.5Å
616A96.1Very high96.5Very high52 Ų5245.4 Ų45.443%0.4325%0.248SC..Hα-helixtrans-60.5-45.4176.800000111.6E612 R619 S620E612-A616 PolarHBondContact O-N 3.39Å; A616-R619 PolarHBondContact O-N 3.3Å; A616-S620 WeakPolarHBondContact O-CB 3.32Å; A616-S620 PolarHBondContact O-N 3.32Å; A616-S620 PolarHBondContact O-OG 3.18Å
617L96.9Very high96.3Very high45 Ų4549.6 Ų49.624%0.23627%0.267CS..Hα-helixtrans-59.7-48.4176.6-178.774.9000112L583 L590 K613 F614 A615 S620 T621L583-L617 HydrophobicContact CD1-CD1 4.26Å; L590-L617 HydrophobicContact CD1-CD2 3.57Å; K613-L617 WeakPolarHBondContact O-CB 3.32Å; K613-L617 PolarHBondContact O-N 2.87Å; K613-L617 VanDerWaalsContact O-N 3.16Å; F614-L617 HydrophobicContact CD2-CD2 4.12Å; F614-L617 HydrophobicContact CE2-CD2 4.33Å; F614-L617 PolarHBondContact O-N 2.92Å; A615-L617 PolarHBondContact O-N 3.16Å; L617-S620 PolarHBondContact O-OG 3.06Å; L617-S620 VanDerWaalsContact O-OG 3.14Å; L617-T621 WeakPolarHBondContact O-CB 3.47Å; L617-T621 PolarHBondContact O-N 3.1Å; L617-T621 PolarHBondContact O-OG1 3.08Å
618V97.5Very high96.1Very high0 Ų046.6 Ų46.60%025%0.253CS..Hα-helixtrans-64-46.7-178.3168.30000110.4A418 I580 F614 A615 T621 M622A418-V618 HydrophobicContact CB-CG1 3.43Å; A418-V618 VanDerWaalsContact CB-CG1 3.43Å; I580-V618 HydrophobicContact CD1-CB 4.43Å; I580-V618 HydrophobicContact CD1-CG1 3.95Å; I580-V618 HydrophobicContact CD1-CG2 4.22Å; I580-V618 HydrophobicContact CG2-CG2 4.25Å; F614-V618 HydrophobicContact CD1-CG2 3.91Å; F614-V618 HydrophobicContact CD2-CG2 4.21Å; F614-V618 HydrophobicContact CE1-CG2 3.45Å; F614-V618 VanDerWaalsContact CE1-CG2 3.45Å; F614-V618 HydrophobicContact CE2-CG2 3.75Å; F614-V618 HydrophobicContact CG-CG2 4.28Å; F614-V618 HydrophobicContact CZ-CG2 3.35Å; F614-V618 WeakPolarHBondContact O-CB 3.28Å; F614-V618 VanDerWaalsContact O-CG2 3.31Å; F614-V618 WeakPolarHBondContact O-CG2 3.17Å; F614-V618 PolarHBondContact O-N 3.35Å; A615-V618 PolarHBondContact O-N 3.08Å; V618-T621 PolarHBondContact O-N 3.48Å; V618-M622 HydrophobicContact CG1-CG 4.43Å; V618-M622 HydrophobicContact CG1-SD 3.66Å; V618-M622 WeakPolarHBondContact O-CB 3.38Å; V618-M622 WeakPolarHBondContact O-CG 3.28Å; V618-M622 PolarHBondContact O-N 2.89Å
619R97.1Very high95.8Very high42 Ų4250.4 Ų50.416%0.15827%0.269CS..Hα-helixtrans-57.4-58.5176.4-174.1-178.3-62.7138.25.5110.6A615 A616 T621 M622 E623 V641 V643 L655 T657A615-R619 WeakPolarHBondContact O-CB 3.25Å; A615-R619 PolarHBondContact O-N 2.93Å; A616-R619 PolarHBondContact O-N 3.3Å; R619-T621 PolarHBondContact O-N 3.19Å; R619-M622 PolarHBondContact O-N 3.15Å; R619-E623 HydrophobicContact CG-CG 4.28Å; R619-E623 WeakPolarHBondContact O-CB 3.29Å; R619-E623 VanDerWaalsContact O-CG 3.25Å; R619-E623 WeakPolarHBondContact O-CG 3.34Å; R619-E623 PolarHBondContact O-N 3.06Å; R619-V641 HydrophobicContact CG-CB 4.34Å; R619-V643 HydrophobicContact CB-CG2 4.15Å; R619-L655 PolarHBondContact NH2-O 3.35Å; R619-T657 PolarHBondContact NH1-O 2.75Å; R619-T657 PolarHBondContact NH1-OG1 3.15Å; R619-T657 PolarHBondContact NH2-OG1 3.42Å
620S96.8Very high95.3Very high67 Ų6751.5 Ų51.547%0.46926%0.263SS..Hα-helixtrans-58.8-38.7-177.570.80000112.2A616 L617 S624A616-S620 WeakPolarHBondContact O-CB 3.32Å; A616-S620 PolarHBondContact O-N 3.32Å; A616-S620 PolarHBondContact O-OG 3.18Å; L617-S620 PolarHBondContact O-OG 3.06Å; L617-S620 VanDerWaalsContact O-OG 3.14Å; S620-S624 VanDerWaalsContact O-CB 3.28Å; S620-S624 WeakPolarHBondContact O-CB 3.36Å; S620-S624 PolarHBondContact O-N 3.33Å
621T97Very high94.9Very high9 Ų951.6 Ų51.66%0.05526%0.264CS..Hα-helixtrans-66.2-49.8179.2-58.50000111.3T579 I580 L583 L617 V618 R619 E623 S624T579-T621 HydrophobicContact CG2-CG2 3.48Å; T579-T621 VanDerWaalsContact CG2-CG2 3.48Å; I580-T621 HydrophobicContact CG1-CG2 3.75Å; L583-T621 HydrophobicContact CD1-CG2 3.9Å; L583-T621 WeakPolarHBondContact CD1-OG1 3.36Å; L617-T621 WeakPolarHBondContact O-CB 3.47Å; L617-T621 PolarHBondContact O-N 3.1Å; L617-T621 PolarHBondContact O-OG1 3.08Å; V618-T621 PolarHBondContact O-N 3.48Å; R619-T621 PolarHBondContact O-N 3.19Å; T621-E623 PolarHBondContact O-N 2.67Å; T621-S624 PolarHBondContact O-N 2.93Å; T621-S624 PolarHBondContact O-OG 3.48Å
622M97.1Very high94.4Very high0 Ų053.5 Ų53.50%029%0.287CS..Hα-helixtrans-64.9-39.9179.9-74.9175.670.300112.1A418 F420 A576 I580 L602 V618 R619 L625 V641A418-M622 HydrophobicContact CB-CE 4.21Å; A418-M622 HydrophobicContact CB-SD 3.56Å; A418-M622 VanDerWaalsContact CB-SD 3.56Å; F420-M622 HydrophobicContact CD1-CE 4.03Å; F420-M622 HydrophobicContact CD2-CE 3.71Å; F420-M622 HydrophobicContact CE1-CB 3.86Å; F420-M622 HydrophobicContact CE1-CE 3.85Å; F420-M622 HydrophobicContact CE1-CG 4.48Å; F420-M622 HydrophobicContact CE2-CE 3.52Å; F420-M622 HydrophobicContact CG-CE 3.96Å; F420-M622 HydrophobicContact CZ-CB 4Å; F420-M622 HydrophobicContact CZ-CE 3.59Å; F420-M622 HydrophobicContact CZ-CG 4.17Å; A576-M622 HydrophobicContact CB-CG 3.91Å; I580-M622 HydrophobicContact CD1-CG 3.91Å; I580-M622 HydrophobicContact CD1-SD 4.26Å; L602-M622 HydrophobicContact CD1-CE 4.44Å; L602-M622 HydrophobicContact CD1-SD 4.24Å; V618-M622 HydrophobicContact CG1-CG 4.43Å; V618-M622 HydrophobicContact CG1-SD 3.66Å; V618-M622 WeakPolarHBondContact O-CB 3.38Å; V618-M622 WeakPolarHBondContact O-CG 3.28Å; V618-M622 PolarHBondContact O-N 2.89Å; R619-M622 PolarHBondContact O-N 3.15Å; M622-L625 WeakPolarHBondContact O-CB 3.39Å; M622-L625 PolarHBondContact O-N 3.32Å; M622-V641 HydrophobicContact CB-CB 4.49Å; M622-V641 HydrophobicContact CB-CG1 4.36Å; M622-V641 HydrophobicContact CB-CG2 3.5Å; M622-V641 HydrophobicContact CE-CG1 3.98Å; M622-V641 HydrophobicContact CE-CG2 4.17Å; M622-V641 HydrophobicContact SD-CG1 3.91Å
623E96.4Very high94.2Very high65 Ų6546.7 Ų46.730%0.30426%0.255SS..Hα-helixtrans-68-35.4177.7-63.1-174.3154.300111.8R619 T621 L625 Q626 L639 V641R619-E623 HydrophobicContact CG-CG 4.28Å; R619-E623 WeakPolarHBondContact O-CB 3.29Å; R619-E623 VanDerWaalsContact O-CG 3.25Å; R619-E623 WeakPolarHBondContact O-CG 3.34Å; R619-E623 PolarHBondContact O-N 3.06Å; T621-E623 PolarHBondContact O-N 2.67Å; E623-L625 PolarHBondContact O-N 3.18Å; E623-L625 VanDerWaalsContact O-N 3.15Å; E623-Q626 WeakPolarHBondContact O-CB 3.34Å; E623-Q626 PolarHBondContact O-N 3.26Å; E623-Q626 VanDerWaalsContact O-N 3.13Å; E623-L639 VanDerWaalsContact CG-O 3.25Å; E623-L639 WeakPolarHBondContact CG-O 3.34Å; E623-V641 HydrophobicContact CG-CB 4.03Å; E623-V641 HydrophobicContact CG-CG2 3.61Å; E623-V641 PolarHBondContact OE1-N 2.85Å
624S96.3Very high94.1Very high68 Ų6844.6 Ų44.648%0.47625%0.247SC..Hα-helixtrans-61.6-22176.7770000114S620 T621 Q626 H627S620-S624 VanDerWaalsContact O-CB 3.28Å; S620-S624 WeakPolarHBondContact O-CB 3.36Å; S620-S624 PolarHBondContact O-N 3.33Å; T621-S624 PolarHBondContact O-N 2.93Å; T621-S624 PolarHBondContact O-OG 3.48Å; S624-Q626 PolarHBondContact O-N 2.68Å; S624-H627 PolarHBondContact O-N 3.45Å
625L95.6Very high93.9Very high7 Ų744.9 Ų44.94%0.03725%0.249CC..THydrogen-bonded Turntrans-65.6-3.6176.1-60.3177.6000113.5F420 L572 M575 A576 M622 E623 H627 I628 L639F420-L625 HydrophobicContact CZ-CD1 4.25Å; L572-L625 HydrophobicContact CD2-CB 4.2Å; M575-L625 HydrophobicContact CB-CD1 4.27Å; M575-L625 HydrophobicContact CB-CD2 4.3Å; A576-L625 HydrophobicContact CB-CD1 3.61Å; M622-L625 WeakPolarHBondContact O-CB 3.39Å; M622-L625 PolarHBondContact O-N 3.32Å; E623-L625 PolarHBondContact O-N 3.18Å; E623-L625 VanDerWaalsContact O-N 3.15Å; L625-H627 PolarHBondContact O-N 3.12Å; L625-I628 HydrophobicContact CB-CD1 4.28Å; L625-I628 HydrophobicContact CB-CG1 4.44Å; L625-I628 HydrophobicContact CD2-CD1 4.04Å; L625-I628 HydrophobicContact CD2-CG1 4.15Å; L625-L639 HydrophobicContact CB-CD1 4.11Å
626Q94.2Very high93.7Very high47 Ų4750.6 Ų50.622%0.2227%0.274CS..THydrogen-bonded Turntrans-51.6-32.7163-170.8-174.9-20.300111.8E623 S624 L635 L639E623-Q626 WeakPolarHBondContact O-CB 3.34Å; E623-Q626 PolarHBondContact O-N 3.26Å; E623-Q626 VanDerWaalsContact O-N 3.13Å; S624-Q626 PolarHBondContact O-N 2.68Å; Q626-L635 HydrophobicContact CG-CB 3.9Å; Q626-L635 PolarHBondContact O-N 2.86Å; Q626-L639 HydrophobicContact CB-CG 4.47Å
627H94.2Very high93.6Very high87 Ų8748.1 Ų48.140%0.40325%0.253SS..EExtended strand (participates in β ladder)trans-129.1108.1-179.8-59.6-47000111.3S624 L625 V633 H634S624-H627 PolarHBondContact O-N 3.45Å; L625-H627 PolarHBondContact O-N 3.12Å; H627-V633 CarbonylContact C-O 3.42Å; H627-V633 WeakPolarHBondContact CA-O 3.35Å; H627-H634 AromaticContact ND1-ND1 3.46Å; H627-H634 PolarHBondContact ND1-ND1 3.14Å
628I92.2Very high93.4Very high7 Ų748.5 Ų48.54%0.03626%0.258CS..EExtended strand (participates in β ladder)trans-118.783.6175.9-47.8168.8000107.8M534 L572 M575 L625 H630 L631 G632 V633M534-I628 HydrophobicContact CE-CD1 3.51Å; M534-I628 HydrophobicContact SD-CD1 4.45Å; L572-I628 HydrophobicContact CD2-CD1 4.29Å; M575-I628 HydrophobicContact CB-CD1 4.45Å; M575-I628 HydrophobicContact CE-CG2 4.33Å; M575-I628 HydrophobicContact CG-CD1 4.3Å; L625-I628 HydrophobicContact CB-CD1 4.28Å; L625-I628 HydrophobicContact CB-CG1 4.44Å; L625-I628 HydrophobicContact CD2-CD1 4.04Å; L625-I628 HydrophobicContact CD2-CG1 4.15Å; I628-H630 VanDerWaalsContact C-N 3.33Å; I628-H630 WeakPolarHBondContact CG2-CE1 3.17Å; I628-H630 PolarHBondContact O-N 3.34Å; I628-L631 HydrophobicContact CG2-CB 4.16Å; I628-L631 HydrophobicContact CG2-CD1 4.24Å; I628-L631 HydrophobicContact CG2-CG 4.34Å; I628-L631 CarbonylContact O-C 3.58Å; I628-L631 PolarHBondContact O-N 3.21Å; I628-L631 VanDerWaalsContact O-N 3.14Å; I628-G632 PolarHBondContact O-N 3.22Å; I628-G632 VanDerWaalsContact O-N 3.13Å; I628-V633 HydrophobicContact CB-CB 3.94Å; I628-V633 HydrophobicContact CB-CG2 4.37Å; I628-V633 HydrophobicContact CD1-CB 4.45Å; I628-V633 HydrophobicContact CG1-CB 4.37Å; I628-V633 PolarHBondContact N-O 3.24Å; I628-V633 PolarHBondContact O-N 3.48Å
629H88.8Confident93.1Very high146 Ų14648.8 Ų48.868%0.67626%0.26SS*.G310 helixtrans-55.4-42.4-171.4-69.5-87.4000113.8L631 G632 H634H629-L631 PolarHBondContact O-N 3.41Å; H629-G632 PolarHBondContact O-N 3.37Å; H629-G632 VanDerWaalsContact O-N 3.07Å; H629-H634 AromaticContact CE1-CE1 3.57Å; H629-H634 AromaticContact ND1-CE1 3.39Å; H629-H634 PolarHBondContact ND1-CE1 2.94Å; H629-H634 AromaticContact ND1-NE2 3.95Å
630H87Confident92.9Very high119 Ų11951.8 Ų51.855%0.55127%0.274SS*.G310 helixtrans-70.2-19.1-176.763.7-85000113.8I628I628-H630 VanDerWaalsContact C-N 3.33Å; I628-H630 WeakPolarHBondContact CG2-CE1 3.17Å; I628-H630 PolarHBondContact O-N 3.34Å
631L87.1Confident92.8Very high31 Ų3149 Ų4916%0.16225%0.254CS..G310 helixtrans-105.87.4172.4-67.3175.5000112.3E216 E220 I221 M534 M575 I628 H629 V633E216-L631 HydrophobicContact CB-CD2 4.1Å; E220-L631 HydrophobicContact CB-CD1 4.45Å; E220-L631 HydrophobicContact CB-CD2 4.33Å; E220-L631 HydrophobicContact CG-CD2 4.15Å; I221-L631 HydrophobicContact CD1-CD1 4.19Å; M534-L631 HydrophobicContact SD-CD1 3.87Å; M575-L631 HydrophobicContact CE-CD1 4.47Å; M575-L631 HydrophobicContact SD-CD1 4.28Å; I628-L631 HydrophobicContact CG2-CB 4.16Å; I628-L631 HydrophobicContact CG2-CD1 4.24Å; I628-L631 HydrophobicContact CG2-CG 4.34Å; I628-L631 CarbonylContact O-C 3.58Å; I628-L631 PolarHBondContact O-N 3.21Å; I628-L631 VanDerWaalsContact O-N 3.14Å; H629-L631 PolarHBondContact O-N 3.41Å; L631-V633 HydrophobicContact CB-CG2 4.09Å; L631-V633 PolarHBondContact O-N 3.29Å
632G87.3Confident92.7Very high55 Ų5549.4 Ų49.457%0.56726%0.258SS*.THydrogen-bonded Turntrans65.520-179.400000114.7I628 H629I628-G632 PolarHBondContact O-N 3.22Å; I628-G632 VanDerWaalsContact O-N 3.13Å; H629-G632 PolarHBondContact O-N 3.37Å; H629-G632 VanDerWaalsContact O-N 3.07Å
633V90.9Very high92.7Very high2 Ų249.4 Ų49.41%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-86.4118-177.71800000109.9L533 M534 H627 I628 L631 L635L533-V633 HydrophobicContact CD1-CG1 4.16Å; L533-V633 HydrophobicContact CD2-CG1 3.7Å; L533-V633 HydrophobicContact CG-CG1 3.95Å; L533-V633 HydrophobicContact CG-CG2 4.16Å; M534-V633 HydrophobicContact CE-CG2 4.3Å; M534-V633 HydrophobicContact CG-CG2 3.88Å; M534-V633 HydrophobicContact SD-CG2 4.47Å; H627-V633 CarbonylContact C-O 3.42Å; H627-V633 WeakPolarHBondContact CA-O 3.35Å; I628-V633 HydrophobicContact CB-CB 3.94Å; I628-V633 HydrophobicContact CB-CG2 4.37Å; I628-V633 HydrophobicContact CD1-CB 4.45Å; I628-V633 HydrophobicContact CG1-CB 4.37Å; I628-V633 PolarHBondContact N-O 3.24Å; I628-V633 PolarHBondContact O-N 3.48Å; L631-V633 HydrophobicContact CB-CG2 4.09Å; L631-V633 PolarHBondContact O-N 3.29Å; V633-L635 HydrophobicContact CG1-CD2 4.36Å; V633-L635 HydrophobicContact CG1-CG 4.31Å
634H93.9Very high92.7Very high87 Ų8747.8 Ų47.840%0.40325%0.254SS..EExtended strand (participates in β ladder)trans-134.296173.9-64.7-71.6000110.3H430 H627 H629H430-H634 PolarHBondContact CE1-O 3.46Å; H627-H634 AromaticContact ND1-ND1 3.46Å; H627-H634 PolarHBondContact ND1-ND1 3.14Å; H629-H634 AromaticContact CE1-CE1 3.57Å; H629-H634 AromaticContact ND1-CE1 3.39Å; H629-H634 PolarHBondContact ND1-CE1 2.94Å; H629-H634 AromaticContact ND1-NE2 3.95Å
635L93.3Very high92.8Very high7 Ų745.4 Ų45.44%0.03724%0.237CC..  trans-73.3141.2178.8-60.8-176.8000110.9L427 H430 L533 L572 Q626 V633 V637 L639L427-L635 HydrophobicContact CD2-CD2 4.19Å; H430-L635 HydrophobicContact CB-CD2 4.25Å; L533-L635 HydrophobicContact CD1-CD2 4.15Å; L533-L635 HydrophobicContact CD2-CD2 3.9Å; L572-L635 HydrophobicContact CD1-CD1 4.25Å; Q626-L635 HydrophobicContact CG-CB 3.9Å; Q626-L635 PolarHBondContact O-N 2.86Å; V633-L635 HydrophobicContact CG1-CD2 4.36Å; V633-L635 HydrophobicContact CG1-CG 4.31Å; L635-V637 VanDerWaalsContact C-N 3.27Å; L635-L639 HydrophobicContact CD1-CD1 3.89Å; L635-L639 HydrophobicContact CD1-CD2 3.65Å; L635-L639 HydrophobicContact CD1-CG 3.81Å
636K93.1Very high92.8Very high120 Ų12045.5 Ų45.552%0.52224%0.24SC..SBendtrans-84-6179.8-65.4-178.1-179.1-172.90112.9H430 S433 L438H430-K636 PolarHBondContact ND1-N 2.82Å; S433-K636 PolarHBondContact OG-NZ 3.09Å; L438-K636 HydrophobicContact CD2-CB 3.9Å
637V91.9Very high92.8Very high0 Ų048.4 Ų48.40%025%0.251CS..SBendtrans-130146.2-178.1-65.70000108.9R426 A429 L438 F441 L635R426-V637 HydrophobicContact CB-CG2 3.72Å; R426-V637 HydrophobicContact CG-CG2 4.32Å; R426-V637 VanDerWaalsContact O-CG2 3.28Å; R426-V637 WeakPolarHBondContact O-CG2 3.27Å; A429-V637 HydrophobicContact CB-CG1 3.94Å; L438-V637 HydrophobicContact CD2-CG1 3.5Å; F441-V637 HydrophobicContact CB-CB 4.11Å; F441-V637 HydrophobicContact CB-CG1 3.89Å; F441-V637 HydrophobicContact CD2-CG1 4.48Å; L635-V637 VanDerWaalsContact C-N 3.27Å
638P92.6Very high92.8Very high52 Ų5245 Ų4534%0.33824%0.237SC..PPolyproline II helixtrans-65.8144.1175.827.7-33.7000110.3R426 F441R426-P638 WeakPolarHBondContact CD-O 3.29Å; R426-P638 PolarHBondContact NH1-O 2.91Å; F441-P638 WeakPolarHBondContact O-CG 3.21Å
639L92.6Very high92.8Very high6 Ų645 Ų453%0.03124%0.237CC..PPolyproline II helixtrans-87.3117.8166.2-66.1-179.3000107.3F420 L572 E623 L625 Q626 L635F420-L639 HydrophobicContact CE1-CB 4.45Å; F420-L639 HydrophobicContact CE1-CD1 4.12Å; L572-L639 HydrophobicContact CD1-CD1 4.45Å; L572-L639 HydrophobicContact CD2-CD1 4.3Å; E623-L639 VanDerWaalsContact CG-O 3.25Å; E623-L639 WeakPolarHBondContact CG-O 3.34Å; L625-L639 HydrophobicContact CB-CD1 4.11Å; Q626-L639 HydrophobicContact CB-CG 4.47Å; L635-L639 HydrophobicContact CD1-CD1 3.89Å; L635-L639 HydrophobicContact CD1-CD2 3.65Å; L635-L639 HydrophobicContact CD1-CG 3.81Å
640K92.7Very high92.8Very high106 Ų10638.9 Ų38.946%0.46121%0.214SC..PPolyproline II helixtrans-97136.5175180177.5-177.7175.80109.3C421C421-K640 HydrophobicContact CB-CB 4Å; C421-K640 HydrophobicContact CB-CD 4.33Å; C421-K640 HydrophobicContact CB-CG 4.09Å; C421-K640 WeakPolarHBondContact CB-O 3.39Å; C421-K640 PolarHBondContact N-O 3.42Å
641V95.1Very high93Very high7 Ų737 Ų374%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-121.8121.9-179.1178.10000110.3A418 D419 F420 R619 M622 E623 V643A418-V641 HydrophobicContact CB-CG1 4.13Å; D419-V641 WeakPolarHBondContact O-CA 3.39Å; F420-V641 HydrophobicContact CD1-CG2 3.87Å; F420-V641 HydrophobicContact CE1-CG2 4.01Å; R619-V641 HydrophobicContact CG-CB 4.34Å; M622-V641 HydrophobicContact CB-CB 4.49Å; M622-V641 HydrophobicContact CB-CG1 4.36Å; M622-V641 HydrophobicContact CB-CG2 3.5Å; M622-V641 HydrophobicContact CE-CG1 3.98Å; M622-V641 HydrophobicContact CE-CG2 4.17Å; M622-V641 HydrophobicContact SD-CG1 3.91Å; E623-V641 HydrophobicContact CG-CB 4.03Å; E623-V641 HydrophobicContact CG-CG2 3.61Å; E623-V641 PolarHBondContact OE1-N 2.85Å; V641-V643 HydrophobicContact CG1-CG2 4.1Å
642A94.6Very high93.2Very high18 Ų1837.7 Ų37.715%0.14922%0.217CC..EExtended strand (participates in β ladder)trans-88.1132.3170.200000108.7A418 D419A418-A642 CarbonylContact C-O 3.51Å; A418-A642 WeakPolarHBondContact CA-O 3.42Å; D419-A642 PolarHBondContact N-O 3.28Å; D419-A642 PolarHBondContact O-N 3.37Å
643V97.1Very high93.5Very high1 Ų139.1 Ų39.11%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-119.1126.7177.8-178.50000108.7L416 A417 A418 A615 R619 V641 L655L416-V643 HydrophobicContact CD1-CG1 3.94Å; L416-V643 HydrophobicContact CD2-CG1 3.81Å; L416-V643 HydrophobicContact CG-CG1 3.8Å; A417-V643 CarbonylContact O-C 3.46Å; A417-V643 VanDerWaalsContact O-CA 3.3Å; A417-V643 WeakPolarHBondContact O-CA 3.34Å; A418-V643 HydrophobicContact CB-CG2 4.33Å; A615-V643 HydrophobicContact CB-CG1 4.04Å; R619-V643 HydrophobicContact CB-CG2 4.15Å; V641-V643 HydrophobicContact CG1-CG2 4.1Å; V643-L655 PolarHBondContact O-N 3.13Å
644S96.6Very high93.5Very high30 Ų3043.8 Ų43.821%0.2124%0.24CC..EExtended strand (participates in β ladder)trans-122.8149.4177.5-55.50000110.6L416 A417 M652 S653L416-S644 CarbonylContact C-O 3.58Å; L416-S644 WeakPolarHBondContact CA-O 3.39Å; A417-S644 PolarHBondContact N-O 2.96Å; A417-S644 PolarHBondContact O-N 3.41Å; S644-M652 VanDerWaalsContact O-CE 3.27Å; S644-M652 WeakPolarHBondContact O-CE 3.32Å; S644-S653 CarbonylContact C-O 3.51Å; S644-S653 WeakPolarHBondContact CA-O 3.44Å; S644-S653 WeakPolarHBondContact CB-O 3.31Å
645V97.4Very high93.3Very high19 Ų1941.5 Ų41.512%0.11523%0.23CC..EExtended strand (participates in β ladder)trans-129.5144.2179.8178.80000109.7F415 L416 V611 M652 S653 L655F415-V645 CarbonylContact O-C 3.6Å; F415-V645 VanDerWaalsContact O-CA 3.25Å; F415-V645 WeakPolarHBondContact O-CA 3.4Å; L416-V645 HydrophobicContact CB-CG2 4.49Å; L416-V645 HydrophobicContact CD1-CG2 4.18Å; L416-V645 HydrophobicContact CG-CG2 4.22Å; V611-V645 HydrophobicContact CG1-CB 4.39Å; V611-V645 HydrophobicContact CG1-CG1 3.86Å; V611-V645 HydrophobicContact CG1-CG2 3.69Å; V645-M652 CarbonylContact O-C 3.57Å; V645-M652 WeakPolarHBondContact O-CA 3.46Å; V645-S653 PolarHBondContact N-O 3.39Å; V645-S653 PolarHBondContact O-N 3.19Å; V645-S653 PolarHBondContact O-OG 3.47Å; V645-L655 HydrophobicContact CG2-CB 4.35Å; V645-L655 HydrophobicContact CG2-CD1 4.14Å
646G95.8Very high92.4Very high9 Ų948.6 Ų48.69%0.09326%0.263CS..EExtended strand (participates in β ladder)trans-163157.8176.800000114.4F415 S648F415-G646 PolarHBondContact N-O 3.14Å; F415-G646 PolarHBondContact O-N 3.07Å; G646-S648 VanDerWaalsContact C-N 3.27Å
647K95.2Very high90.5Very high107 Ų10749 Ų4947%0.46528%0.276SS..EExtended strand (participates in β ladder)trans-86.40.1171.1-66-62.8-172.5175.60113.3P409 W413 S414 D608P409-K647 WeakPolarHBondContact CD-O 3.33Å; W413-K647 PolarHBondContact O-NZ 2.95Å; S414-K647 VanDerWaalsContact OG-CE 3.26Å; S414-K647 WeakPolarHBondContact OG-CE 3.36Å; S414-K647 PolarHBondContact OG-NZ 3.42Å; S414-K647 VanDerWaalsContact OG-NZ 3.09Å; D608-K647 IonicContact OD1-NZ 2.73Å; D608-K647 PolarHBondContact OD1-NZ 3.04Å; D608-K647 IonicContact OD2-NZ 3.61Å; D608-K647 PolarHBondContact OD2-NZ 2.94Å
648S93.7Very high90.4Very high16 Ų1651.5 Ų51.511%0.11229%0.289CS..EExtended strand (participates in β ladder)trans-149.2149.6168.1173.70000107.7D405 F407 G646 G650 S651 M652D405-S648 WeakPolarHBondContact CA-OG 3.47Å; D405-S648 PolarHBondContact O-OG 3.49Å; F407-S648 WeakPolarHBondContact O-CA 2.86Å; F407-S648 PolarHBondContact O-OG 2.96Å; G646-S648 VanDerWaalsContact C-N 3.27Å; S648-G650 VanDerWaalsContact C-N 3.26Å; S648-G650 PolarHBondContact O-N 2.96Å; S648-S651 CarbonylContact O-C 3.07Å; S648-S651 PolarHBondContact O-N 3.13Å; S648-M652 WeakPolarHBondContact O-CG 3.38Å
649W92.9Very high90.3Very high6 Ų651.4 Ų51.42%0.02329%0.287CS..THydrogen-bonded Turntrans-69.1-26.9-178.8-172.112.9000112.5F375 L378 R404 F407 F415 L598 L603 S651F375-W649 HydrophobicContact CB-CH2 4.26Å; F375-W649 HydrophobicContact CD1-CZ3 4.36Å; L378-W649 HydrophobicContact CD1-CE3 4.22Å; L378-W649 HydrophobicContact CD1-CH2 3.73Å; L378-W649 HydrophobicContact CD1-CZ3 3.45Å; L378-W649 VanDerWaalsContact CD1-CZ3 3.45Å; R404-W649 HydrophobicContact CB-CB 4.16Å; R404-W649 HydrophobicContact CB-CD2 4.37Å; R404-W649 HydrophobicContact CB-CG 4.14Å; R404-W649 HydrophobicContact CG-CD2 4.24Å; R404-W649 HydrophobicContact CG-CG 4.41Å; F407-W649 HydrophobicContact CB-CB 4.06Å; F407-W649 HydrophobicContact CB-CE3 4.12Å; F407-W649 HydrophobicContact CD1-CE3 4.34Å; F407-W649 AromaticContact CD2-CE3 3.92Å; F407-W649 HydrophobicContact CD2-CE3 3.92Å; F407-W649 HydrophobicContact CD2-CZ3 4.5Å; F407-W649 HydrophobicContact CE2-CE3 4.34Å; F407-W649 AromaticContact CG-CE3 3.88Å; F407-W649 HydrophobicContact CG-CE3 3.88Å; F407-W649 HydrophobicContact CG-CZ3 4.5Å; F407-W649 PolarHBondContact O-N 3.11Å; F407-W649 VanDerWaalsContact O-N 3.17Å; F415-W649 HydrophobicContact CD2-CB 3.99Å; F415-W649 HydrophobicContact CE2-CB 4.09Å; L598-W649 HydrophobicContact CD1-CH2 3.78Å; L598-W649 HydrophobicContact CD1-CZ2 3.37Å; L598-W649 HydrophobicContact CD2-CH2 3.75Å; L598-W649 HydrophobicContact CD2-CZ2 3.38Å; L598-W649 HydrophobicContact CG-CH2 4.28Å; L598-W649 HydrophobicContact CG-CZ2 3.98Å; L603-W649 HydrophobicContact CD1-CG 4.47Å; L603-W649 HydrophobicContact CD2-CD2 3.74Å; L603-W649 HydrophobicContact CD2-CE3 3.97Å; L603-W649 HydrophobicContact CD2-CG 4.26Å; L603-W649 HydrophobicContact CD2-CH2 4.04Å; L603-W649 HydrophobicContact CD2-CZ2 3.82Å; L603-W649 HydrophobicContact CD2-CZ3 4.11Å; W649-S651 VanDerWaalsContact C-N 3.35Å
650G89Confident90.1Very high19 Ų1953.9 Ų53.920%0.19630%0.301CS..THydrogen-bonded Turntrans-81.1-15.2175.300000114.2H402 R404 D405 S648H402-G650 PolarHBondContact CD2-O 3.2Å; R404-G650 PolarHBondContact O-N 3.18Å; D405-G650 VanDerWaalsContact OD1-C 3.3Å; D405-G650 WeakPolarHBondContact OD1-CA 3.43Å; S648-G650 VanDerWaalsContact C-N 3.26Å; S648-G650 PolarHBondContact O-N 2.96Å
651S89.3Confident90Very high78 Ų7850.9 Ų50.955%0.54529%0.292SS..EExtended strand (participates in β ladder)trans-124.572.9-176.1-62.40000110.4D405 S648 W649D405-S651 PolarHBondContact OD1-OG 3.5Å; S648-S651 CarbonylContact O-C 3.07Å; S648-S651 PolarHBondContact O-N 3.13Å; W649-S651 VanDerWaalsContact C-N 3.35Å
652M92.3Very high89.7Confident47 Ų4753.6 Ų53.623%0.23231%0.307CS..EExtended strand (participates in β ladder)trans-111.4137.9178.5-55.2-173.673.500110.6F415 A417 L603 S644 V645 S648F415-M652 HydrophobicContact CB-CE 4.01Å; A417-M652 HydrophobicContact CB-CE 3.52Å; A417-M652 HydrophobicContact CB-SD 3.91Å; L603-M652 HydrophobicContact CD1-CE 4.49Å; L603-M652 HydrophobicContact CD1-SD 4.47Å; S644-M652 VanDerWaalsContact O-CE 3.27Å; S644-M652 WeakPolarHBondContact O-CE 3.32Å; V645-M652 CarbonylContact O-C 3.57Å; V645-M652 WeakPolarHBondContact O-CA 3.46Å; S648-M652 WeakPolarHBondContact O-CG 3.38Å
653S92.9Very high89.4Confident84 Ų8456 Ų5659%0.58732%0.318SS*.EExtended strand (participates in β ladder)trans-107.5139.817552.50000110.4S644 V645 L655S644-S653 CarbonylContact C-O 3.51Å; S644-S653 WeakPolarHBondContact CA-O 3.44Å; S644-S653 WeakPolarHBondContact CB-O 3.31Å; V645-S653 PolarHBondContact N-O 3.39Å; V645-S653 PolarHBondContact O-N 3.19Å; V645-S653 PolarHBondContact O-OG 3.47Å; S653-L655 PolarHBondContact O-N 3.38Å
654E92.1Very high88.8Confident100 Ų10059.9 Ų59.947%0.46734%0.34SS..EExtended strand (participates in β ladder)trans-64.2133.1174.9-166.5172.7173.500110.3H656E654-H656 PolarHBondContact O-N 2.84Å; E654-H656 IonicContact OE1-CE1 2.65Å; E654-H656 IonicContact OE2-CE1 2.71Å
655L90Very high88.2Confident39 Ų3962.2 Ų62.220%0.20435%0.35CS..  trans-94.391.5179.1-170.2106.1000108.6A615 R619 V643 V645 S653 T657A615-L655 HydrophobicContact CB-CD2 3.5Å; R619-L655 PolarHBondContact NH2-O 3.35Å; V643-L655 PolarHBondContact O-N 3.13Å; V645-L655 HydrophobicContact CG2-CB 4.35Å; V645-L655 HydrophobicContact CG2-CD1 4.14Å; S653-L655 PolarHBondContact O-N 3.38Å; L655-T657 HydrophobicContact CD2-CG2 3.7Å; L655-T657 VanDerWaalsContact CD2-OG1 3.29Å; L655-T657 WeakPolarHBondContact CD2-OG1 3.49Å; L655-T657 HydrophobicContact CG-CG2 4.18Å; L655-T657 PolarHBondContact O-N 2.57Å; L655-T657 VanDerWaalsContact O-N 3.16Å; L655-T657 PolarHBondContact O-OG1 2.91Å
656H74.2Confident87.4Confident157 Ų15765.8 Ų65.873%0.72737%0.37SS*.  trans-72.4106170.6-54.8-58.4000108.4E654E654-H656 PolarHBondContact O-N 2.84Å; E654-H656 IonicContact OE1-CE1 2.65Å; E654-H656 IonicContact OE2-CE1 2.71Å
657T51.8Low86.7Confident128 Ų12871 Ų7179%0.78540%0.395SS*.  trans-131.2017920.60000108.9R619 L655R619-T657 PolarHBondContact NH1-O 2.75Å; R619-T657 PolarHBondContact NH1-OG1 3.15Å; R619-T657 PolarHBondContact NH2-OG1 3.42Å; L655-T657 HydrophobicContact CD2-CG2 3.7Å; L655-T657 VanDerWaalsContact CD2-OG1 3.29Å; L655-T657 WeakPolarHBondContact CD2-OG1 3.49Å; L655-T657 HydrophobicContact CG-CG2 4.18Å; L655-T657 PolarHBondContact O-N 2.57Å; L655-T657 VanDerWaalsContact O-N 3.16Å; L655-T657 PolarHBondContact O-OG1 2.91Å

Retrieved 657 of 657 residues in 637.8 ms (Link to these results)

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