A0A5K4F5Q3_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F5Q3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 150 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M44.7Very low63.1Low153 Ų15369 Ų6975%0.75438%0.376SS*.  0133.90-109.2167.486.700107.8N5 I6 N9M1-N5 HydrophobicContact CB-CB 4.41Å; M1-N5 HydrophobicContact CE-CB 3.55Å; M1-N5 WeakPolarHBondContact CE-O 3.21Å; M1-N5 HydrophobicContact CG-CB 3.93Å; M1-I6 HydrophobicContact CE-CB 4.47Å; M1-I6 HydrophobicContact CE-CG1 3.95Å; M1-N9 HydrophobicContact CE-CB 4.49Å; M1-N9 WeakPolarHBondContact CE-ND2 3.47Å
2A50.2Low64Low47 Ų4763.7 Ų63.739%0.38835%0.347SS..  trans-61145.4167.500000108.9S4 N5A2-S4 PolarHBondContact O-N 3.26Å; A2-S4 VanDerWaalsContact O-N 3.13Å; A2-N5 WeakPolarHBondContact O-CB 3.28Å; A2-N5 PolarHBondContact O-N 3.16Å
3P52.2Low65Low99 Ų9958.8 Ų58.864%0.64332%0.32SS*.Hα-helixtrans-52.8-34.5178.8-26.934.1000113.1N5 I6P3-N5 VanDerWaalsContact C-N 3.3Å; P3-N5 PolarHBondContact O-N 3.11Å; P3-I6 WeakPolarHBondContact O-CB 3.49Å; P3-I6 PolarHBondContact O-N 3.41Å
4S61.5Low66.3Low53 Ų5355.3 Ų55.337%0.37130%0.301SS..Hα-helixtrans-58.2-38.3174.151.10000113.1A2 I6 W7 M8A2-S4 PolarHBondContact O-N 3.26Å; A2-S4 VanDerWaalsContact O-N 3.13Å; S4-I6 PolarHBondContact O-N 2.87Å; S4-W7 PolarHBondContact O-N 3.05Å; S4-W7 VanDerWaalsContact O-N 3.16Å; S4-M8 WeakPolarHBondContact O-CG 3.48Å; S4-M8 PolarHBondContact O-N 2.97Å; S4-M8 VanDerWaalsContact O-N 3.09Å
5N63.1Low67.6Low75 Ų7551.6 Ų51.640%0.40128%0.281SS..Hα-helixtrans-67.5-25.1-178.7-65.54.8000112.4M1 A2 P3 W7 N9M1-N5 HydrophobicContact CB-CB 4.41Å; M1-N5 HydrophobicContact CE-CB 3.55Å; M1-N5 WeakPolarHBondContact CE-O 3.21Å; M1-N5 HydrophobicContact CG-CB 3.93Å; A2-N5 WeakPolarHBondContact O-CB 3.28Å; A2-N5 PolarHBondContact O-N 3.16Å; P3-N5 VanDerWaalsContact C-N 3.3Å; P3-N5 PolarHBondContact O-N 3.11Å; N5-W7 VanDerWaalsContact C-N 3.29Å; N5-N9 WeakPolarHBondContact O-CB 3.27Å; N5-N9 PolarHBondContact O-N 3.4Å; N5-N9 VanDerWaalsContact O-N 3.15Å
6I65.3Low68.8Low79 Ų7949 Ų4941%0.40527%0.266SS..Hα-helixtrans-65.2-41.2176.3-63.4175.2000109.5M1 P3 S4 N9 L10 T74M1-I6 HydrophobicContact CE-CB 4.47Å; M1-I6 HydrophobicContact CE-CG1 3.95Å; P3-I6 WeakPolarHBondContact O-CB 3.49Å; P3-I6 PolarHBondContact O-N 3.41Å; S4-I6 PolarHBondContact O-N 2.87Å; I6-N9 CarbonylContact O-C 3.57Å; I6-N9 VanDerWaalsContact O-C 3.31Å; I6-N9 WeakPolarHBondContact O-CA 3.36Å; I6-N9 PolarHBondContact O-N 3.48Å; I6-L10 PolarHBondContact O-N 3.43Å; I6-L10 VanDerWaalsContact O-N 3.08Å; I6-T74 HydrophobicContact CG2-CG2 4.08Å
7W72.6Confident70.1Confident64 Ų6446.1 Ų46.124%0.24225%0.25CS..Hα-helixtrans-73.9-34.3179.4-59.6121.4000112.9S4 N5 N9 L10 F30 V34 T38 W72S4-W7 PolarHBondContact O-N 3.05Å; S4-W7 VanDerWaalsContact O-N 3.16Å; N5-W7 VanDerWaalsContact C-N 3.29Å; W7-N9 PolarHBondContact O-N 3.41Å; W7-L10 HydrophobicContact CE3-CB 4.49Å; W7-L10 HydrophobicContact CE3-CD2 4.14Å; W7-L10 HydrophobicContact CZ3-CD2 4.4Å; W7-L10 WeakPolarHBondContact O-CB 3.38Å; W7-L10 PolarHBondContact O-N 3.29Å; W7-F30 HydrophobicContact CE3-CE2 4.21Å; W7-F30 HydrophobicContact CE3-CZ 4.43Å; W7-F30 HydrophobicContact CH2-CE2 4.23Å; W7-F30 AromaticContact CZ3-CE2 3.72Å; W7-F30 HydrophobicContact CZ3-CE2 3.72Å; W7-F30 HydrophobicContact CZ3-CZ 4.35Å; W7-V34 HydrophobicContact CB-CG1 3.63Å; W7-V34 HydrophobicContact CD2-CB 4.26Å; W7-V34 HydrophobicContact CD2-CG1 3.58Å; W7-V34 HydrophobicContact CD2-CG2 3.65Å; W7-V34 VanDerWaalsContact CE2-CG2 3.48Å; W7-V34 HydrophobicContact CE3-CG1 3.86Å; W7-V34 HydrophobicContact CE3-CG2 3.97Å; W7-V34 HydrophobicContact CG-CB 4.41Å; W7-V34 HydrophobicContact CG-CG1 3.48Å; W7-V34 VanDerWaalsContact CG-CG1 3.48Å; W7-V34 HydrophobicContact CG-CG2 4.2Å; W7-V34 HydrophobicContact CH2-CG2 3.99Å; W7-V34 HydrophobicContact CZ2-CG2 3.67Å; W7-V34 HydrophobicContact CZ3-CG2 4.14Å; W7-T38 HydrophobicContact CB-CG2 3.78Å; W7-W72 HydrophobicContact CZ3-CE3 4.4Å; W7-W72 HydrophobicContact CZ3-CZ3 4.44Å
8M71.2Confident71.2Confident107 Ų10747.2 Ų47.253%0.52726%0.255SS..Hα-helixtrans-63.3-24.1169.3-63.5-57.4-70.300112.6S4 T38S4-M8 WeakPolarHBondContact O-CG 3.48Å; S4-M8 PolarHBondContact O-N 2.97Å; S4-M8 VanDerWaalsContact O-N 3.09Å; M8-T38 HydrophobicContact SD-CG2 4.41Å
9N70.9Confident72.3Confident37 Ų3747.8 Ų47.820%0.19826%0.258CS..THydrogen-bonded Turntrans-98.88.5175.1-73-9.9000112.4M1 N5 I6 W7 F11 T74 G75 S77M1-N9 HydrophobicContact CE-CB 4.49Å; M1-N9 WeakPolarHBondContact CE-ND2 3.47Å; N5-N9 WeakPolarHBondContact O-CB 3.27Å; N5-N9 PolarHBondContact O-N 3.4Å; N5-N9 VanDerWaalsContact O-N 3.15Å; I6-N9 CarbonylContact O-C 3.57Å; I6-N9 VanDerWaalsContact O-C 3.31Å; I6-N9 WeakPolarHBondContact O-CA 3.36Å; I6-N9 PolarHBondContact O-N 3.48Å; W7-N9 PolarHBondContact O-N 3.41Å; N9-F11 PolarHBondContact O-N 2.92Å; N9-T74 CarbonylContact O-C 3.52Å; N9-T74 WeakPolarHBondContact O-CA 2.96Å; N9-T74 WeakPolarHBondContact O-CB 3.15Å; N9-G75 VanDerWaalsContact CB-O 3.24Å; N9-G75 WeakPolarHBondContact CB-O 3.27Å; N9-G75 PolarHBondContact O-N 2.99Å; N9-S77 WeakPolarHBondContact OD1-CB 3.27Å
10L72.4Confident73.4Confident11 Ų1151.2 Ų51.26%0.05827%0.272CS..EExtended strand (participates in β ladder)trans-66.4109.1176.9179.466.1000108.2I6 W7 F30 C53 I54 W72 T74I6-L10 PolarHBondContact O-N 3.43Å; I6-L10 VanDerWaalsContact O-N 3.08Å; W7-L10 HydrophobicContact CE3-CB 4.49Å; W7-L10 HydrophobicContact CE3-CD2 4.14Å; W7-L10 HydrophobicContact CZ3-CD2 4.4Å; W7-L10 WeakPolarHBondContact O-CB 3.38Å; W7-L10 PolarHBondContact O-N 3.29Å; L10-F30 HydrophobicContact CD2-CE2 4.37Å; L10-F30 HydrophobicContact CD2-CZ 3.79Å; L10-C53 HydrophobicContact CD2-CB 4.01Å; L10-C53 HydrophobicContact CG-CB 4.3Å; L10-I54 HydrophobicContact CD2-CD1 3.77Å; L10-W72 HydrophobicContact CD1-CB 4.06Å; L10-T74 HydrophobicContact CD1-CG2 4.38Å
11F70.4Confident74.5Confident34 Ų3453.8 Ų53.815%0.14929%0.29CS..EExtended strand (participates in β ladder)trans-79.6-55.1178.4173.9-121.3000109.6N9 I73 L81 I83 F101 F144N9-F11 PolarHBondContact O-N 2.92Å; F11-I73 WeakPolarHBondContact CA-O 3.33Å; F11-I73 HydrophobicContact CB-CB 4.48Å; F11-I73 HydrophobicContact CB-CG2 4.34Å; F11-I73 WeakPolarHBondContact CB-O 3.46Å; F11-I73 HydrophobicContact CD1-CB 4.05Å; F11-I73 HydrophobicContact CD1-CG2 3.76Å; F11-I73 PolarHBondContact N-O 2.84Å; F11-L81 HydrophobicContact CD2-CB 4.04Å; F11-L81 HydrophobicContact CD2-CD1 4.1Å; F11-L81 HydrophobicContact CE1-CD1 4.49Å; F11-L81 HydrophobicContact CE2-CB 3.26Å; F11-L81 HydrophobicContact CE2-CD1 3.52Å; F11-L81 HydrophobicContact CE2-CD2 4.27Å; F11-L81 HydrophobicContact CE2-CG 3.86Å; F11-L81 HydrophobicContact CZ-CB 4.02Å; F11-L81 HydrophobicContact CZ-CD1 3.71Å; F11-L81 HydrophobicContact CZ-CD2 4.23Å; F11-L81 HydrophobicContact CZ-CG 4.23Å; F11-I83 WeakPolarHBondContact O-CD1 3.46Å; F11-F101 HydrophobicContact CZ-CB 4.15Å; F11-F144 HydrophobicContact CE1-CZ 4.3Å
12L73.5Confident76.8Confident5 Ų547.3 Ų47.33%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-149140.3179.7173.268.2000109.3I14 C53 V55 W72 I73 I83 L103 F144L12-I14 HydrophobicContact CD2-CG1 4.46Å; L12-I14 HydrophobicContact CG-CG1 4.42Å; L12-C53 CarbonylContact C-O 3.49Å; L12-C53 WeakPolarHBondContact CA-O 3.2Å; L12-V55 HydrophobicContact CD1-CG2 4.33Å; L12-W72 CarbonylContact O-C 3.59Å; L12-W72 WeakPolarHBondContact O-CA 3.45Å; L12-I73 HydrophobicContact CB-CB 4.48Å; L12-I73 HydrophobicContact CD2-CD1 4.3Å; L12-I73 PolarHBondContact N-O 3.29Å; L12-I73 PolarHBondContact O-N 2.78Å; L12-I83 HydrophobicContact CB-CD1 4.44Å; L12-I83 HydrophobicContact CD1-CD1 4.17Å; L12-L103 HydrophobicContact CD1-CD2 3.96Å; L12-L103 HydrophobicContact CD2-CB 4.22Å; L12-L103 HydrophobicContact CD2-CD1 4.49Å; L12-L103 HydrophobicContact CD2-CD2 3.84Å; L12-L103 HydrophobicContact CD2-CG 4.4Å; L12-L103 HydrophobicContact CG-CD2 4.45Å; L12-F144 HydrophobicContact CD2-CE2 3.94Å
13G77.5Confident78.8Confident0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-121.9148163.400000111.1C53 I54 V55 Q71G13-C53 PolarHBondContact N-O 2.8Å; G13-I54 CarbonylContact O-C 3.47Å; G13-I54 WeakPolarHBondContact O-CA 3.33Å; G13-V55 PolarHBondContact O-N 3.17Å; G13-Q71 CarbonylContact C-O 3.48Å; G13-Q71 VanDerWaalsContact CA-O 3.25Å; G13-Q71 WeakPolarHBondContact CA-O 3.41Å
14I82.6Confident80.8Confident10 Ų1044.2 Ų44.25%0.05123%0.231CC..EExtended strand (participates in β ladder)trans-123.9122.8170.5-50.5177.2000106.9L12 Y16 V55 L57 W70 Q71 L103 V132L12-I14 HydrophobicContact CD2-CG1 4.46Å; L12-I14 HydrophobicContact CG-CG1 4.42Å; I14-Y16 HydrophobicContact CB-CE2 4.05Å; I14-Y16 HydrophobicContact CG2-CD1 4.41Å; I14-Y16 HydrophobicContact CG2-CD2 4.1Å; I14-Y16 HydrophobicContact CG2-CE1 3.91Å; I14-Y16 HydrophobicContact CG2-CE2 3.53Å; I14-Y16 VanDerWaalsContact CG2-CZ 3.43Å; I14-V55 WeakPolarHBondContact CA-O 3.42Å; I14-V55 HydrophobicContact CG2-CG1 4.36Å; I14-L57 HydrophobicContact CG2-CD1 3.65Å; I14-L57 HydrophobicContact CG2-CG 4.44Å; I14-W70 WeakPolarHBondContact O-CA 3.49Å; I14-Q71 PolarHBondContact N-O 3.39Å; I14-Q71 PolarHBondContact O-N 2.82Å; I14-L103 HydrophobicContact CD1-CD2 3.93Å; I14-L103 HydrophobicContact CG1-CD2 4.1Å; I14-V132 HydrophobicContact CD1-CG1 4.48Å
15C86.5Confident82.4Confident0 Ų047.7 Ų47.70%024%0.241CC..EExtended strand (participates in β ladder)trans-106.7118.2172.3-175.60000108.3I54 V55 W56 L57 V68 W70C15-I54 HydrophobicContact CB-CG2 4.27Å; C15-V55 PolarHBondContact N-O 3.17Å; C15-W56 HydrophobicContact CB-CD2 4.28Å; C15-W56 HydrophobicContact CB-CE3 3.41Å; C15-W56 VanDerWaalsContact CB-CE3 3.41Å; C15-W56 HydrophobicContact CB-CZ3 3.6Å; C15-L57 PolarHBondContact O-N 3.08Å; C15-V68 VanDerWaalsContact SG-CG1 3.56Å; C15-W70 HydrophobicContact CB-CD2 3.91Å; C15-W70 HydrophobicContact CB-CE3 3.54Å; C15-W70 HydrophobicContact CB-CH2 3.83Å; C15-W70 HydrophobicContact CB-CZ2 4.07Å; C15-W70 HydrophobicContact CB-CZ3 3.53Å; C15-W70 VanDerWaalsContact SG-CE2 3.6Å
16Y86.5Confident83.8Confident10 Ų1044.7 Ų44.74%0.03923%0.227CC..EExtended strand (participates in β ladder)trans-99.8137.7169.3-53.8-89.2000108.7I14 L57 V59 L62 V68 E69 Q71I14-Y16 HydrophobicContact CB-CE2 4.05Å; I14-Y16 HydrophobicContact CG2-CD1 4.41Å; I14-Y16 HydrophobicContact CG2-CD2 4.1Å; I14-Y16 HydrophobicContact CG2-CE1 3.91Å; I14-Y16 HydrophobicContact CG2-CE2 3.53Å; I14-Y16 VanDerWaalsContact CG2-CZ 3.43Å; Y16-L57 CarbonylContact C-O 3.47Å; Y16-L57 WeakPolarHBondContact CA-O 3.47Å; Y16-L57 HydrophobicContact CD1-CB 3.96Å; Y16-L57 HydrophobicContact CD1-CD1 3.72Å; Y16-L57 HydrophobicContact CD1-CG 4.47Å; Y16-L57 HydrophobicContact CE1-CD1 3.39Å; Y16-V59 HydrophobicContact CD1-CG1 3.81Å; Y16-L62 HydrophobicContact CG-CD2 4.48Å; Y16-V68 CarbonylContact O-C 3.52Å; Y16-V68 WeakPolarHBondContact O-CA 3.46Å; Y16-V68 WeakPolarHBondContact O-CG1 3.26Å; Y16-E69 PolarHBondContact N-O 2.83Å; Y16-E69 PolarHBondContact O-N 3.27Å; Y16-Q71 HydrophobicContact CE2-CG 4.23Å
17A90.6Very high85.2Confident0 Ų044.7 Ų44.70%022%0.222CC..EExtended strand (participates in β ladder)trans-138.6152.6173.500000110.7D19 L23 L57 V58 V59 T67 V68A17-D19 VanDerWaalsContact C-N 3.3Å; A17-D19 PolarHBondContact O-N 3.28Å; A17-L23 HydrophobicContact CB-CB 3.79Å; A17-L23 HydrophobicContact CB-CD1 3.61Å; A17-L23 HydrophobicContact CB-CG 4.34Å; A17-L57 PolarHBondContact N-O 2.95Å; A17-V58 CarbonylContact O-C 3.51Å; A17-V58 VanDerWaalsContact O-CA 3.24Å; A17-V58 WeakPolarHBondContact O-CA 3.44Å; A17-V59 PolarHBondContact O-N 3.38Å; A17-T67 VanDerWaalsContact CA-O 3.28Å; A17-T67 WeakPolarHBondContact CA-O 3.11Å; A17-V68 HydrophobicContact CB-CG2 4.11Å
18I90.3Very high86.1Confident65 Ų6546.3 Ų46.333%0.33324%0.235SC..SBendtrans-77.4-17.3-179.163171.3000113.9V59 L62 A66 T67I18-V59 WeakPolarHBondContact CA-O 3.38Å; I18-L62 HydrophobicContact CG2-CB 4.36Å; I18-L62 HydrophobicContact CG2-CD1 4.1Å; I18-L62 HydrophobicContact CG2-CG 4.06Å; I18-A66 WeakPolarHBondContact CG2-O 3.28Å; I18-T67 HydrophobicContact CD1-CG2 4.06Å; I18-T67 PolarHBondContact N-O 3.44Å
19D92.1Very high87.1Confident59 Ų5944.6 Ų44.632%0.31623%0.233SC..SBendtrans-155.3164.7179.558.358.8000111.4A17 V21 S22 L23A17-D19 VanDerWaalsContact C-N 3.3Å; A17-D19 PolarHBondContact O-N 3.28Å; D19-V21 VanDerWaalsContact C-N 3.27Å; D19-V21 PolarHBondContact O-N 3.44Å; D19-V21 WeakPolarHBondContact OD1-CB 3.49Å; D19-V21 PolarHBondContact OD1-N 3.5Å; D19-V21 VanDerWaalsContact OD1-N 3.13Å; D19-S22 PolarHBondContact O-N 3.36Å; D19-S22 VanDerWaalsContact OD1-CB 3.25Å; D19-S22 WeakPolarHBondContact OD1-CB 3.39Å; D19-S22 PolarHBondContact OD1-N 3.5Å; D19-S22 PolarHBondContact OD1-OG 2.9Å; D19-S22 PolarHBondContact OD2-OG 3.13Å; D19-L23 WeakPolarHBondContact O-CB 3.25Å; D19-L23 PolarHBondContact O-N 3.22Å
20E93.1Very high88Confident115 Ų11543.3 Ų43.354%0.53723%0.225SC..Hα-helixtrans-61.5-31.4178.8-81.4-74.8171.700113.2L23 N24 V58E20-L23 PolarHBondContact O-N 3.37Å; E20-N24 WeakPolarHBondContact O-CB 3.42Å; E20-N24 PolarHBondContact O-N 2.89Å; E20-N24 PolarHBondContact O-ND2 3.49Å; E20-V58 HydrophobicContact CG-CG2 4.21Å
21V96.3Very high88.8Confident107 Ų10746 Ų4665%0.64824%0.237SC*.Hα-helixtrans-67.5-48.9-178.8177.10000109.6D19 L23 N24 Q25D19-V21 VanDerWaalsContact C-N 3.27Å; D19-V21 PolarHBondContact O-N 3.44Å; D19-V21 WeakPolarHBondContact OD1-CB 3.49Å; D19-V21 PolarHBondContact OD1-N 3.5Å; D19-V21 VanDerWaalsContact OD1-N 3.13Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.39Å; V21-N24 PolarHBondContact O-N 2.96Å; V21-Q25 WeakPolarHBondContact O-CB 3.34Å; V21-Q25 PolarHBondContact O-N 3.03Å
22S94.5Very high89.6Confident17 Ų1750.2 Ų50.212%0.11926%0.258CS..Hα-helixtrans-62.6-41.2176.6-59.50000111.3D19 Q25 A26D19-S22 PolarHBondContact O-N 3.36Å; D19-S22 VanDerWaalsContact OD1-CB 3.25Å; D19-S22 WeakPolarHBondContact OD1-CB 3.39Å; D19-S22 PolarHBondContact OD1-N 3.5Å; D19-S22 PolarHBondContact OD1-OG 2.9Å; D19-S22 PolarHBondContact OD2-OG 3.13Å; S22-Q25 PolarHBondContact O-N 3.43Å; S22-A26 WeakPolarHBondContact O-CB 3.33Å; S22-A26 PolarHBondContact O-N 3.13Å
23L91.9Very high90.1Very high11 Ų1153.1 Ų53.16%0.05828%0.282CS..Hα-helixtrans-62-46.7176.6-163.278.6000111.9A17 D19 E20 V21 Q25 A26 R27 W56 L57 V58A17-L23 HydrophobicContact CB-CB 3.79Å; A17-L23 HydrophobicContact CB-CD1 3.61Å; A17-L23 HydrophobicContact CB-CG 4.34Å; D19-L23 WeakPolarHBondContact O-CB 3.25Å; D19-L23 PolarHBondContact O-N 3.22Å; E20-L23 PolarHBondContact O-N 3.37Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.39Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 2.85Å; L23-A26 PolarHBondContact O-N 3.36Å; L23-R27 PolarHBondContact O-N 2.83Å; L23-W56 HydrophobicContact CD1-CB 4.03Å; L23-W56 HydrophobicContact CD1-CE3 4.25Å; L23-W56 HydrophobicContact CD2-CB 3.92Å; L23-W56 HydrophobicContact CG-CB 4.15Å; L23-W56 HydrophobicContact CG-CE3 4.41Å; L23-L57 WeakPolarHBondContact CD1-O 3.34Å; L23-V58 HydrophobicContact CD2-CG2 3.96Å
24N93.4Very high90.4Very high70 Ų7053.2 Ų53.237%0.37428%0.283SS..Hα-helixtrans-65.8-38.6178.5-78.4-53.6000111.8E20 V21 R27 N28E20-N24 WeakPolarHBondContact O-CB 3.42Å; E20-N24 PolarHBondContact O-N 2.89Å; E20-N24 PolarHBondContact O-ND2 3.49Å; V21-N24 PolarHBondContact O-N 2.96Å; N24-R27 PolarHBondContact O-N 3.32Å; N24-N28 VanDerWaalsContact O-CG 3.29Å; N24-N28 PolarHBondContact O-N 2.81Å; N24-N28 PolarHBondContact O-ND2 3.49Å
25Q95.8Very high90.4Very high126 Ų12652.8 Ų52.859%0.58928%0.281SS*.Hα-helixtrans-64.1-44174.7-167.7170.1300111.4V21 S22 L23 R27 N28 C29V21-Q25 WeakPolarHBondContact O-CB 3.34Å; V21-Q25 PolarHBondContact O-N 3.03Å; S22-Q25 PolarHBondContact O-N 3.43Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 2.85Å; Q25-R27 VanDerWaalsContact C-N 3.32Å; Q25-R27 PolarHBondContact O-N 2.74Å; Q25-N28 PolarHBondContact O-N 3.45Å; Q25-C29 PolarHBondContact O-N 2.81Å; Q25-C29 PolarHBondContact O-SG 2.77Å
26A93.3Very high90.2Very high11 Ų1157.7 Ų57.79%0.09131%0.306CS..Hα-helixtrans-59.9-42.3174.700000112S22 L23 C29 F30 W56 V68 W70S22-A26 WeakPolarHBondContact O-CB 3.33Å; S22-A26 PolarHBondContact O-N 3.13Å; L23-A26 PolarHBondContact O-N 3.36Å; A26-C29 PolarHBondContact O-N 2.9Å; A26-F30 WeakPolarHBondContact O-CB 3.24Å; A26-F30 PolarHBondContact O-N 2.74Å; A26-W56 HydrophobicContact CB-CZ3 4.28Å; A26-V68 HydrophobicContact CB-CG1 3.96Å; A26-V68 HydrophobicContact CB-CG2 4.2Å; A26-W70 HydrophobicContact CB-CZ2 3.99Å
27R93.4Very high89.7Confident80 Ų8064 Ų6430%0.30234%0.336SS..Hα-helixtrans-60.4-45.8175.2-176.7-179.6-78.5173.5-4.6112.6L23 N24 Q25 F30 H31 W56L23-R27 PolarHBondContact O-N 2.83Å; N24-R27 PolarHBondContact O-N 3.32Å; Q25-R27 VanDerWaalsContact C-N 3.32Å; Q25-R27 PolarHBondContact O-N 2.74Å; R27-F30 PolarHBondContact O-N 2.77Å; R27-H31 WeakPolarHBondContact O-CB 3.2Å; R27-H31 PolarHBondContact O-N 3.42Å; R27-W56 HydrophobicContact CB-CD2 4.45Å; R27-W56 HydrophobicContact CB-CE3 4.16Å; R27-W56 HydrophobicContact CB-CH2 3.7Å; R27-W56 HydrophobicContact CB-CZ2 3.98Å; R27-W56 HydrophobicContact CB-CZ3 3.8Å; R27-W56 HydrophobicContact CG-CH2 3.98Å; R27-W56 HydrophobicContact CG-CZ2 3.77Å; R27-W56 HydrophobicContact CG-CZ3 4.49Å; R27-W56 VanDerWaalsContact NH2-CG 3.29Å
28N92.1Very high88.8Confident97 Ų9764.9 Ų64.952%0.51934%0.342SS..Hα-helixtrans-63.7-45177.9-70.6-19.7000111.6N24 Q25 F30 H31 Q32N24-N28 VanDerWaalsContact O-CG 3.29Å; N24-N28 PolarHBondContact O-N 2.81Å; N24-N28 PolarHBondContact O-ND2 3.49Å; Q25-N28 PolarHBondContact O-N 3.45Å; N28-F30 PolarHBondContact O-N 3.35Å; N28-H31 PolarHBondContact O-N 3.16Å; N28-Q32 WeakPolarHBondContact O-CG 3.41Å; N28-Q32 PolarHBondContact O-N 2.97Å
29C92.3Very high87.7Confident71 Ų7164.4 Ų64.448%0.4834%0.34SS..Hα-helixtrans-59.7-46.3176.7-70.60000111.7Q25 A26 Q32 A33Q25-C29 PolarHBondContact O-N 2.81Å; Q25-C29 PolarHBondContact O-SG 2.77Å; A26-C29 PolarHBondContact O-N 2.9Å; C29-Q32 PolarHBondContact O-N 3.43Å; C29-A33 VanDerWaalsContact O-CB 3.27Å; C29-A33 WeakPolarHBondContact O-CB 3.45Å; C29-A33 PolarHBondContact O-N 3.15Å
30F90.3Very high86.1Confident10 Ų1066.6 Ų66.64%0.04435%0.351CS..Hα-helixtrans-63.8-43.9177.6-176.6-87.7000111.7W7 L10 A26 R27 N28 Q32 A33 V34 H49 I54 W56 W70 W72W7-F30 HydrophobicContact CE3-CE2 4.21Å; W7-F30 HydrophobicContact CE3-CZ 4.43Å; W7-F30 HydrophobicContact CH2-CE2 4.23Å; W7-F30 AromaticContact CZ3-CE2 3.72Å; W7-F30 HydrophobicContact CZ3-CE2 3.72Å; W7-F30 HydrophobicContact CZ3-CZ 4.35Å; L10-F30 HydrophobicContact CD2-CE2 4.37Å; L10-F30 HydrophobicContact CD2-CZ 3.79Å; A26-F30 WeakPolarHBondContact O-CB 3.24Å; A26-F30 PolarHBondContact O-N 2.74Å; R27-F30 PolarHBondContact O-N 2.77Å; N28-F30 PolarHBondContact O-N 3.35Å; F30-Q32 VanDerWaalsContact C-N 3.33Å; F30-Q32 PolarHBondContact O-N 2.91Å; F30-A33 PolarHBondContact O-N 3.28Å; F30-V34 HydrophobicContact CD1-CB 4.33Å; F30-V34 HydrophobicContact CD2-CB 4.44Å; F30-V34 HydrophobicContact CD2-CG2 3.93Å; F30-V34 HydrophobicContact CE1-CB 4.02Å; F30-V34 HydrophobicContact CE1-CG1 4.16Å; F30-V34 HydrophobicContact CE1-CG2 4.49Å; F30-V34 HydrophobicContact CE2-CB 4.14Å; F30-V34 HydrophobicContact CE2-CG1 4.35Å; F30-V34 HydrophobicContact CE2-CG2 3.73Å; F30-V34 HydrophobicContact CG-CG2 4.39Å; F30-V34 HydrophobicContact CZ-CB 3.91Å; F30-V34 HydrophobicContact CZ-CG1 3.83Å; F30-V34 HydrophobicContact CZ-CG2 4.03Å; F30-V34 WeakPolarHBondContact O-CA 3.49Å; F30-V34 VanDerWaalsContact O-CB 3.3Å; F30-V34 WeakPolarHBondContact O-CB 3.35Å; F30-V34 PolarHBondContact O-N 2.94Å; F30-H49 HydrophobicContact CE1-CB 3.99Å; F30-H49 HydrophobicContact CZ-CB 4.4Å; F30-I54 HydrophobicContact CD1-CG1 4.29Å; F30-I54 HydrophobicContact CE1-CD1 4.22Å; F30-I54 HydrophobicContact CE1-CG1 3.81Å; F30-I54 HydrophobicContact CE2-CD1 4.01Å; F30-I54 HydrophobicContact CE2-CG1 4.39Å; F30-I54 HydrophobicContact CZ-CD1 3.74Å; F30-I54 HydrophobicContact CZ-CG1 3.87Å; F30-W56 HydrophobicContact CB-CH2 4.09Å; F30-W56 HydrophobicContact CG-CH2 4.43Å; F30-W70 HydrophobicContact CB-CH2 3.84Å; F30-W70 HydrophobicContact CB-CZ2 4.2Å; F30-W70 AromaticContact CD2-CH2 3.75Å; F30-W70 HydrophobicContact CD2-CH2 3.75Å; F30-W70 HydrophobicContact CD2-CZ2 4.48Å; F30-W70 HydrophobicContact CD2-CZ3 4.16Å; F30-W70 AromaticContact CG-CH2 3.93Å; F30-W70 HydrophobicContact CG-CH2 3.93Å; F30-W72 HydrophobicContact CD2-CZ3 4.14Å; F30-W72 AromaticContact CE2-CZ3 3.99Å; F30-W72 HydrophobicContact CE2-CZ3 3.99Å
31H89.2Confident84.1Confident67 Ų6767.6 Ų67.631%0.3137%0.366SS..Iπ-helixtrans-57.9-46.6177.9-174.670.3000111.8R27 N28 C35 L36 C48R27-H31 WeakPolarHBondContact O-CB 3.2Å; R27-H31 PolarHBondContact O-N 3.42Å; N28-H31 PolarHBondContact O-N 3.16Å; H31-C35 WeakPolarHBondContact ND1-CB 3.48Å; H31-C35 WeakPolarHBondContact O-CB 3.5Å; H31-C35 PolarHBondContact O-N 3.13Å; H31-C35 VanDerWaalsContact O-N 3.1Å; H31-L36 PolarHBondContact O-N 3.4Å; H31-C48 PolarHBondContact ND1-SG 3.06Å
32Q86.6Confident81.9Confident123 Ų12368.1 Ų68.158%0.57537%0.369SS*.Iπ-helixtrans-68.4-42.4-179-70.8177.2-4.400112.7N28 C29 F30 L36N28-Q32 WeakPolarHBondContact O-CG 3.41Å; N28-Q32 PolarHBondContact O-N 2.97Å; C29-Q32 PolarHBondContact O-N 3.43Å; F30-Q32 VanDerWaalsContact C-N 3.33Å; F30-Q32 PolarHBondContact O-N 2.91Å; Q32-L36 HydrophobicContact CB-CD1 4.49Å; Q32-L36 HydrophobicContact CG-CD1 4.33Å
33A83.9Confident79.8Confident66 Ų6671.3 Ų71.355%0.54539%0.385SS..Iπ-helixtrans-79.7-28.7-175.700000113.4C29 F30 Q37C29-A33 VanDerWaalsContact O-CB 3.27Å; C29-A33 WeakPolarHBondContact O-CB 3.45Å; C29-A33 PolarHBondContact O-N 3.15Å; F30-A33 PolarHBondContact O-N 3.28Å; A33-Q37 VanDerWaalsContact O-CG 3.27Å; A33-Q37 WeakPolarHBondContact O-CG 3.3Å
34V84.3Confident77.7Confident3 Ų376 Ų762%0.01843%0.425CS..Iπ-helixtrans-116.2-68-172.8-176.60000111.1W7 F30 L36 Q37 T38W7-V34 HydrophobicContact CB-CG1 3.63Å; W7-V34 HydrophobicContact CD2-CB 4.26Å; W7-V34 HydrophobicContact CD2-CG1 3.58Å; W7-V34 HydrophobicContact CD2-CG2 3.65Å; W7-V34 VanDerWaalsContact CE2-CG2 3.48Å; W7-V34 HydrophobicContact CE3-CG1 3.86Å; W7-V34 HydrophobicContact CE3-CG2 3.97Å; W7-V34 HydrophobicContact CG-CB 4.41Å; W7-V34 HydrophobicContact CG-CG1 3.48Å; W7-V34 VanDerWaalsContact CG-CG1 3.48Å; W7-V34 HydrophobicContact CG-CG2 4.2Å; W7-V34 HydrophobicContact CH2-CG2 3.99Å; W7-V34 HydrophobicContact CZ2-CG2 3.67Å; W7-V34 HydrophobicContact CZ3-CG2 4.14Å; F30-V34 HydrophobicContact CD1-CB 4.33Å; F30-V34 HydrophobicContact CD2-CB 4.44Å; F30-V34 HydrophobicContact CD2-CG2 3.93Å; F30-V34 HydrophobicContact CE1-CB 4.02Å; F30-V34 HydrophobicContact CE1-CG1 4.16Å; F30-V34 HydrophobicContact CE1-CG2 4.49Å; F30-V34 HydrophobicContact CE2-CB 4.14Å; F30-V34 HydrophobicContact CE2-CG1 4.35Å; F30-V34 HydrophobicContact CE2-CG2 3.73Å; F30-V34 HydrophobicContact CG-CG2 4.39Å; F30-V34 HydrophobicContact CZ-CB 3.91Å; F30-V34 HydrophobicContact CZ-CG1 3.83Å; F30-V34 HydrophobicContact CZ-CG2 4.03Å; F30-V34 WeakPolarHBondContact O-CA 3.49Å; F30-V34 VanDerWaalsContact O-CB 3.3Å; F30-V34 WeakPolarHBondContact O-CB 3.35Å; F30-V34 PolarHBondContact O-N 2.94Å; V34-L36 PolarHBondContact O-N 3.02Å; V34-Q37 CarbonylContact O-C 3.55Å; V34-Q37 WeakPolarHBondContact O-CA 3.41Å; V34-Q37 WeakPolarHBondContact O-CB 3.4Å; V34-Q37 PolarHBondContact O-N 3.32Å; V34-T38 HydrophobicContact CG1-CG2 4.36Å; V34-T38 PolarHBondContact O-N 2.97Å; V34-T38 PolarHBondContact O-OG1 3.1Å; V34-T38 VanDerWaalsContact O-OG1 3.13Å
35C82Confident75.8Confident0 Ų078.1 Ų78.10%044%0.441CS..Iπ-helixtrans-56-47.7-173.8-77.70000112.1H31 Q37 T38 L39 C48 H49H31-C35 WeakPolarHBondContact ND1-CB 3.48Å; H31-C35 WeakPolarHBondContact O-CB 3.5Å; H31-C35 PolarHBondContact O-N 3.13Å; H31-C35 VanDerWaalsContact O-N 3.1Å; C35-Q37 PolarHBondContact O-N 2.91Å; C35-Q37 VanDerWaalsContact O-N 3.15Å; C35-T38 PolarHBondContact O-N 3.34Å; C35-T38 VanDerWaalsContact O-N 3.16Å; C35-L39 HydrophobicContact CB-CD1 3.9Å; C35-L39 WeakPolarHBondContact O-CB 3.38Å; C35-L39 WeakPolarHBondContact O-CD1 3.23Å; C35-L39 VanDerWaalsContact O-CG 3.28Å; C35-L39 WeakPolarHBondContact O-CG 3.47Å; C35-L39 PolarHBondContact O-N 3.16Å; C35-C48 HydrophobicContact CB-CB 4.05Å; C35-C48 WeakPolarHBondContact CB-SG 3.49Å; C35-C48 WeakPolarHBondContact SG-CB 3.24Å; C35-C48 CovalentContact SG-SG 2.07Å; C35-C48 PolarHBondContact SG-SG 2.86Å; C35-H49 PolarHBondContact SG-N 2.84Å
36L81.8Confident73.9Confident103 Ų10374.4 Ų74.454%0.53943%0.429SS..Hα-helixtrans-63.8-21.1179.5-67.8-176.4000113.6H31 Q32 V34H31-L36 PolarHBondContact O-N 3.4Å; Q32-L36 HydrophobicContact CB-CD1 4.49Å; Q32-L36 HydrophobicContact CG-CD1 4.33Å; V34-L36 PolarHBondContact O-N 3.02Å
37Q76.6Confident72.6Confident143 Ų14378.5 Ų78.567%0.66845%0.446SS*.Hα-helixtrans-93.3-18.2179.2-54.7-59.2-47.400112.7A33 V34 C35A33-Q37 VanDerWaalsContact O-CG 3.27Å; A33-Q37 WeakPolarHBondContact O-CG 3.3Å; V34-Q37 CarbonylContact O-C 3.55Å; V34-Q37 WeakPolarHBondContact O-CA 3.41Å; V34-Q37 WeakPolarHBondContact O-CB 3.4Å; V34-Q37 PolarHBondContact O-N 3.32Å; C35-Q37 PolarHBondContact O-N 2.91Å; C35-Q37 VanDerWaalsContact O-N 3.15Å
38T72.3Confident71.8Confident18 Ų1875.5 Ų75.511%0.1144%0.437CS..Hα-helixtrans-116.6-15.4-175.463.30000114.4W7 M8 V34 C35 D40 H49W7-T38 HydrophobicContact CB-CG2 3.78Å; M8-T38 HydrophobicContact SD-CG2 4.41Å; V34-T38 HydrophobicContact CG1-CG2 4.36Å; V34-T38 PolarHBondContact O-N 2.97Å; V34-T38 PolarHBondContact O-OG1 3.1Å; V34-T38 VanDerWaalsContact O-OG1 3.13Å; C35-T38 PolarHBondContact O-N 3.34Å; C35-T38 VanDerWaalsContact O-N 3.16Å; T38-D40 PolarHBondContact O-N 2.92Å; T38-D40 VanDerWaalsContact O-N 3.15Å; T38-H49 PolarHBondContact OG1-CD2 2.84Å; T38-H49 PolarHBondContact OG1-NE2 3.09Å
39L67.6Low71.1Confident55 Ų5572.4 Ų72.429%0.28842%0.419SS..  trans-62.7114.1174.4-90.2156.6000109.4C35 T41 S46 C48C35-L39 HydrophobicContact CB-CD1 3.9Å; C35-L39 WeakPolarHBondContact O-CB 3.38Å; C35-L39 WeakPolarHBondContact O-CD1 3.23Å; C35-L39 VanDerWaalsContact O-CG 3.28Å; C35-L39 WeakPolarHBondContact O-CG 3.47Å; C35-L39 PolarHBondContact O-N 3.16Å; L39-T41 PolarHBondContact O-N 3.27Å; L39-T41 VanDerWaalsContact O-N 3.11Å; L39-S46 WeakPolarHBondContact CD2-O 3.18Å; L39-S46 VanDerWaalsContact CD2-OG 3.26Å; L39-S46 WeakPolarHBondContact CD2-OG 3.4Å; L39-C48 HydrophobicContact CD1-CB 4.34Å
40D57.9Low70.6Confident105 Ų10569.2 Ų69.256%0.56140%0.398SS*.  trans-75.2102171.5-155-9.9000108.2T38 T42 D43T38-D40 PolarHBondContact O-N 2.92Å; T38-D40 VanDerWaalsContact O-N 3.15Å; D40-T42 PolarHBondContact O-N 2.96Å; D40-T42 PolarHBondContact OD1-OG1 3Å; D40-D43 PolarHBondContact O-N 3.08Å
41T51.6Low69.9Low137 Ų13774.3 Ų74.384%0.8443%0.426SS*.THydrogen-bonded Turntrans-58.1-12.4-174.153.60000114.4L39L39-T41 PolarHBondContact O-N 3.27Å; L39-T41 VanDerWaalsContact O-N 3.11Å
42T50.1Low69.1Low118 Ų11874.7 Ų74.772%0.72443%0.427SS*.THydrogen-bonded Turntrans-79.5-19.8175.153.90000113.7D40D40-T42 PolarHBondContact O-N 2.96Å; D40-T42 PolarHBondContact OD1-OG1 3Å
43D50.2Low68.5Low84 Ų8469.5 Ų69.545%0.44941%0.405SS..  trans-108.188.1-179.5-155.8-17.8000110.6D40 T45 S46D40-D43 PolarHBondContact O-N 3.08Å; D43-T45 PolarHBondContact O-N 3.26Å; D43-T45 PolarHBondContact OD1-N 2.82Å; D43-T45 PolarHBondContact OD1-OG1 2.82Å; D43-S46 PolarHBondContact O-N 3.19Å; D43-S46 PolarHBondContact O-OG 3.15Å
44A48.1Very low68.2Low108 Ų10866.7 Ų66.789%0.89338%0.381SS*.THydrogen-bonded Turntrans-59.3-8.2179.400000113.9
45T51.7Low67.8Low115 Ų11567 Ų6771%0.70638%0.382SS*.THydrogen-bonded Turntrans-99.7-5.6178.1690000114.2D43 E47D43-T45 PolarHBondContact O-N 3.26Å; D43-T45 PolarHBondContact OD1-N 2.82Å; D43-T45 PolarHBondContact OD1-OG1 2.82Å; T45-E47 PolarHBondContact O-N 3.02Å
46S56.9Low67.9Low49 Ų4967.7 Ų67.734%0.34339%0.385SS..  trans-67.498.5178.858.40000110.7L39 D43 C48L39-S46 WeakPolarHBondContact CD2-O 3.18Å; L39-S46 VanDerWaalsContact CD2-OG 3.26Å; L39-S46 WeakPolarHBondContact CD2-OG 3.4Å; D43-S46 PolarHBondContact O-N 3.19Å; D43-S46 PolarHBondContact O-OG 3.15Å; S46-C48 PolarHBondContact O-N 2.89Å
47E65.3Low67.9Low96 Ų9663.3 Ų63.345%0.44936%0.362SS..  trans-62.8128.4172.3-67.1174.8150.400108.3T45 Q52 K88T45-E47 PolarHBondContact O-N 3.02Å; E47-Q52 HydrophobicContact CB-CG 3.62Å; E47-Q52 PolarHBondContact O-OE1 3.15Å; E47-Q52 WeakPolarHBondContact OE2-CG 3.44Å; E47-Q52 PolarHBondContact OE2-NE2 3.11Å; E47-K88 IonicContact OE1-NZ 3.63Å
48C77.6Confident68.2Low17 Ų1759.3 Ų59.312%0.11535%0.347CS..  trans-55.7142.1-179.6156.40000112.4H31 C35 L39 S46 C50 N51 Q52H31-C48 PolarHBondContact ND1-SG 3.06Å; C35-C48 HydrophobicContact CB-CB 4.05Å; C35-C48 WeakPolarHBondContact CB-SG 3.49Å; C35-C48 WeakPolarHBondContact SG-CB 3.24Å; C35-C48 CovalentContact SG-SG 2.07Å; C35-C48 PolarHBondContact SG-SG 2.86Å; L39-C48 HydrophobicContact CD1-CB 4.34Å; S46-C48 PolarHBondContact O-N 2.89Å; C48-C50 PolarHBondContact O-N 3.1Å; C48-C50 WeakPolarHBondContact SG-CB 3.16Å; C48-C50 PolarHBondContact SG-N 2.75Å; C48-C50 PolarHBondContact SG-SG 2.52Å; C48-N51 PolarHBondContact O-N 2.87Å; C48-Q52 PolarHBondContact O-N 3.29Å
49H77.6Confident68.7Low32 Ų3258.8 Ų58.815%0.14834%0.344CS..Hα-helixtrans-49.1-27.9175.5-62.9-61.7000114.1F30 C35 T38 N51 Q52 C53 I54F30-H49 HydrophobicContact CE1-CB 3.99Å; F30-H49 HydrophobicContact CZ-CB 4.4Å; C35-H49 PolarHBondContact SG-N 2.84Å; T38-H49 PolarHBondContact OG1-CD2 2.84Å; T38-H49 PolarHBondContact OG1-NE2 3.09Å; H49-N51 PolarHBondContact O-N 3.33Å; H49-Q52 PolarHBondContact O-N 2.77Å; H49-C53 HydrophobicContact CB-CB 4.31Å; H49-C53 PolarHBondContact ND1-SG 3.2Å; H49-C53 WeakPolarHBondContact O-CA 3.25Å; H49-C53 PolarHBondContact O-N 3.38Å; H49-I54 PolarHBondContact O-N 2.65Å
50C81.1Confident69.4Low4 Ų460.2 Ų60.23%0.02736%0.358CS..Hα-helixtrans-53.1-37.3172.8-65.90000112.8C48 W56C48-C50 PolarHBondContact O-N 3.1Å; C48-C50 WeakPolarHBondContact SG-CB 3.16Å; C48-C50 PolarHBondContact SG-N 2.75Å; C48-C50 PolarHBondContact SG-SG 2.52Å; C50-W56 HydrophobicContact CB-CZ2 4.19Å; C50-W56 PolarHBondContact O-NE1 3.31Å
51N75.4Confident70.6Confident118 Ų11859.4 Ų59.463%0.63135%0.354SS*.Hα-helixtrans-98.8-28.7-174.9-62.6-25000112C48 H49C48-N51 PolarHBondContact O-N 2.87Å; H49-N51 PolarHBondContact O-N 3.33Å
52Q72.3Confident72.1Confident74 Ų7453.4 Ų53.435%0.34632%0.317SS..Hα-helixtrans-88.6-44.5-179-68.7-163.1-30.400113.3E47 C48 H49 I83E47-Q52 HydrophobicContact CB-CG 3.62Å; E47-Q52 PolarHBondContact O-OE1 3.15Å; E47-Q52 WeakPolarHBondContact OE2-CG 3.44Å; E47-Q52 PolarHBondContact OE2-NE2 3.11Å; C48-Q52 PolarHBondContact O-N 3.29Å; H49-Q52 PolarHBondContact O-N 2.77Å; Q52-I83 WeakPolarHBondContact O-CB 3.43Å; Q52-I83 WeakPolarHBondContact O-CG2 3.45Å
53C74Confident73.6Confident14 Ų1450.6 Ų50.610%0.09530%0.301CS..THydrogen-bonded Turntrans-109.8-14.9-164.9-55.60000113.3L10 L12 G13 H49L10-C53 HydrophobicContact CD2-CB 4.01Å; L10-C53 HydrophobicContact CG-CB 4.3Å; L12-C53 CarbonylContact C-O 3.49Å; L12-C53 WeakPolarHBondContact CA-O 3.2Å; G13-C53 PolarHBondContact N-O 2.8Å; H49-C53 HydrophobicContact CB-CB 4.31Å; H49-C53 PolarHBondContact ND1-SG 3.2Å; H49-C53 WeakPolarHBondContact O-CA 3.25Å; H49-C53 PolarHBondContact O-N 3.38Å
54I77.4Confident75.3Confident8 Ų856.6 Ų56.64%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-111.1128.6-174.5-50.6-59.7000111.7L10 G13 C15 F30 H49 W56 W70L10-I54 HydrophobicContact CD2-CD1 3.77Å; G13-I54 CarbonylContact O-C 3.47Å; G13-I54 WeakPolarHBondContact O-CA 3.33Å; C15-I54 HydrophobicContact CB-CG2 4.27Å; F30-I54 HydrophobicContact CD1-CG1 4.29Å; F30-I54 HydrophobicContact CE1-CD1 4.22Å; F30-I54 HydrophobicContact CE1-CG1 3.81Å; F30-I54 HydrophobicContact CE2-CD1 4.01Å; F30-I54 HydrophobicContact CE2-CG1 4.39Å; F30-I54 HydrophobicContact CZ-CD1 3.74Å; F30-I54 HydrophobicContact CZ-CG1 3.87Å; H49-I54 PolarHBondContact O-N 2.65Å; I54-W56 HydrophobicContact CB-CH2 4.44Å; I54-W56 HydrophobicContact CB-CZ2 3.67Å; I54-W56 HydrophobicContact CG1-CZ2 4.09Å; I54-W56 HydrophobicContact CG2-CD2 3.7Å; I54-W56 HydrophobicContact CG2-CE3 4.09Å; I54-W56 HydrophobicContact CG2-CG 4.27Å; I54-W56 HydrophobicContact CG2-CH2 3.8Å; I54-W56 HydrophobicContact CG2-CZ2 3.4Å; I54-W56 VanDerWaalsContact CG2-CZ2 3.4Å; I54-W56 HydrophobicContact CG2-CZ3 4.13Å; I54-W56 PolarHBondContact O-NE1 2.07Å; I54-W70 HydrophobicContact CD1-CZ3 4.16Å; I54-W70 HydrophobicContact CG2-CH2 4.34Å; I54-W70 HydrophobicContact CG2-CZ3 3.76Å
55V77.3Confident77.1Confident9 Ų959 Ų596%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-93.9129.4165.3167.40000109.8L12 G13 I14 C15 L57 L103 Y105L12-V55 HydrophobicContact CD1-CG2 4.33Å; G13-V55 PolarHBondContact O-N 3.17Å; I14-V55 WeakPolarHBondContact CA-O 3.42Å; I14-V55 HydrophobicContact CG2-CG1 4.36Å; C15-V55 PolarHBondContact N-O 3.17Å; V55-L57 HydrophobicContact CG1-CD1 4.11Å; V55-L57 HydrophobicContact CG1-CD2 4.1Å; V55-L57 HydrophobicContact CG1-CG 3.86Å; V55-L103 HydrophobicContact CB-CD2 4.01Å; V55-L103 HydrophobicContact CG1-CD2 4.31Å; V55-L103 HydrophobicContact CG2-CD2 3.53Å; V55-Y105 HydrophobicContact CB-CD1 4Å; V55-Y105 HydrophobicContact CB-CE1 4.12Å; V55-Y105 HydrophobicContact CG1-CD1 3.28Å; V55-Y105 HydrophobicContact CG1-CD2 3.83Å; V55-Y105 HydrophobicContact CG1-CE1 3.62Å; V55-Y105 HydrophobicContact CG1-CE2 4.11Å; V55-Y105 HydrophobicContact CG1-CG 3.37Å; V55-Y105 HydrophobicContact CG2-CD1 3.54Å; V55-Y105 HydrophobicContact CG2-CE1 3.71Å; V55-Y105 HydrophobicContact CG2-CG 4.45Å
56W83.4Confident78.8Confident15 Ų1555.1 Ų55.16%0.05730%0.3CS..EExtended strand (participates in β ladder)trans-112.3121.1-175.7-53.688.9000109.7C15 L23 A26 R27 F30 C50 I54 W70C15-W56 HydrophobicContact CB-CD2 4.28Å; C15-W56 HydrophobicContact CB-CE3 3.41Å; C15-W56 VanDerWaalsContact CB-CE3 3.41Å; C15-W56 HydrophobicContact CB-CZ3 3.6Å; L23-W56 HydrophobicContact CD1-CB 4.03Å; L23-W56 HydrophobicContact CD1-CE3 4.25Å; L23-W56 HydrophobicContact CD2-CB 3.92Å; L23-W56 HydrophobicContact CG-CB 4.15Å; L23-W56 HydrophobicContact CG-CE3 4.41Å; A26-W56 HydrophobicContact CB-CZ3 4.28Å; R27-W56 HydrophobicContact CB-CD2 4.45Å; R27-W56 HydrophobicContact CB-CE3 4.16Å; R27-W56 HydrophobicContact CB-CH2 3.7Å; R27-W56 HydrophobicContact CB-CZ2 3.98Å; R27-W56 HydrophobicContact CB-CZ3 3.8Å; R27-W56 HydrophobicContact CG-CH2 3.98Å; R27-W56 HydrophobicContact CG-CZ2 3.77Å; R27-W56 HydrophobicContact CG-CZ3 4.49Å; R27-W56 VanDerWaalsContact NH2-CG 3.29Å; F30-W56 HydrophobicContact CB-CH2 4.09Å; F30-W56 HydrophobicContact CG-CH2 4.43Å; C50-W56 HydrophobicContact CB-CZ2 4.19Å; C50-W56 PolarHBondContact O-NE1 3.31Å; I54-W56 HydrophobicContact CB-CH2 4.44Å; I54-W56 HydrophobicContact CB-CZ2 3.67Å; I54-W56 HydrophobicContact CG1-CZ2 4.09Å; I54-W56 HydrophobicContact CG2-CD2 3.7Å; I54-W56 HydrophobicContact CG2-CE3 4.09Å; I54-W56 HydrophobicContact CG2-CG 4.27Å; I54-W56 HydrophobicContact CG2-CH2 3.8Å; I54-W56 HydrophobicContact CG2-CZ2 3.4Å; I54-W56 VanDerWaalsContact CG2-CZ2 3.4Å; I54-W56 HydrophobicContact CG2-CZ3 4.13Å; I54-W56 PolarHBondContact O-NE1 2.07Å; W56-W70 HydrophobicContact CE3-CH2 4.46Å; W56-W70 AromaticContact CH2-CH2 3.33Å; W56-W70 HydrophobicContact CH2-CH2 3.33Å; W56-W70 HydrophobicContact CH2-CZ2 4.1Å; W56-W70 HydrophobicContact CH2-CZ3 4.11Å; W56-W70 HydrophobicContact CZ2-CH2 4.41Å; W56-W70 AromaticContact CZ3-CH2 3.36Å; W56-W70 HydrophobicContact CZ3-CH2 3.36Å; W56-W70 AromaticContact CZ3-CZ2 3.82Å; W56-W70 HydrophobicContact CZ3-CZ2 3.82Å; W56-W70 HydrophobicContact CZ3-CZ3 4.11Å
57L80.6Confident80.6Confident11 Ų1156.7 Ų56.76%0.05831%0.308CS..EExtended strand (participates in β ladder)trans-128.3127.6-172.2-64.7171.8000110.9I14 C15 Y16 A17 L23 V55 Y105 V140I14-L57 HydrophobicContact CG2-CD1 3.65Å; I14-L57 HydrophobicContact CG2-CG 4.44Å; C15-L57 PolarHBondContact O-N 3.08Å; Y16-L57 CarbonylContact C-O 3.47Å; Y16-L57 WeakPolarHBondContact CA-O 3.47Å; Y16-L57 HydrophobicContact CD1-CB 3.96Å; Y16-L57 HydrophobicContact CD1-CD1 3.72Å; Y16-L57 HydrophobicContact CD1-CG 4.47Å; Y16-L57 HydrophobicContact CE1-CD1 3.39Å; A17-L57 PolarHBondContact N-O 2.95Å; L23-L57 WeakPolarHBondContact CD1-O 3.34Å; V55-L57 HydrophobicContact CG1-CD1 4.11Å; V55-L57 HydrophobicContact CG1-CD2 4.1Å; V55-L57 HydrophobicContact CG1-CG 3.86Å; L57-Y105 HydrophobicContact CD2-CD2 3.31Å; L57-Y105 HydrophobicContact CD2-CE2 3.95Å; L57-Y105 HydrophobicContact CD2-CG 4.01Å; L57-Y105 HydrophobicContact CG-CD2 4.44Å; L57-V140 HydrophobicContact CD1-CG1 4.34Å; L57-V140 HydrophobicContact CD2-CG1 4.16Å
58V83.6Confident81.8Confident59 Ų5953.9 Ų53.936%0.35830%0.297SS..EExtended strand (participates in β ladder)trans-87.2130.3161.9-176.90000108.3A17 E20 L23A17-V58 CarbonylContact O-C 3.51Å; A17-V58 VanDerWaalsContact O-CA 3.24Å; A17-V58 WeakPolarHBondContact O-CA 3.44Å; E20-V58 HydrophobicContact CG-CG2 4.21Å; L23-V58 HydrophobicContact CD2-CG2 3.96Å
59V82.9Confident82.3Confident6 Ų655.5 Ų55.54%0.03630%0.303CS..  trans-127.9153.3179.2-66.10000110.4Y16 A17 I18 N61 L62 D137 V140Y16-V59 HydrophobicContact CD1-CG1 3.81Å; A17-V59 PolarHBondContact O-N 3.38Å; I18-V59 WeakPolarHBondContact CA-O 3.38Å; V59-N61 VanDerWaalsContact C-N 3.33Å; V59-N61 WeakPolarHBondContact CG2-O 3.34Å; V59-N61 PolarHBondContact O-N 3.19Å; V59-L62 HydrophobicContact CG2-CD2 3.69Å; V59-L62 HydrophobicContact CG2-CG 3.82Å; V59-D137 HydrophobicContact CB-CB 4.31Å; V59-D137 HydrophobicContact CG1-CB 4.42Å; V59-V140 HydrophobicContact CG1-CG2 4.24Å
60S83Confident82.7Confident85 Ų8557 Ų5759%0.59431%0.307SS*.SBendtrans-67.9-29.3-17950.10000114.2D137S60-D137 WeakPolarHBondContact CB-OD2 3.18Å; S60-D137 PolarHBondContact N-OD2 3.31Å; S60-D137 PolarHBondContact OG-OD2 3.07Å
61N82.5Confident82.6Confident88 Ų8859.6 Ų59.647%0.47132%0.319SS..  trans-152.7161.2174109.213.9000111.3V59V59-N61 VanDerWaalsContact C-N 3.33Å; V59-N61 WeakPolarHBondContact CG2-O 3.34Å; V59-N61 PolarHBondContact O-N 3.19Å
62L84.1Confident82.5Confident12 Ų1259.6 Ų59.66%0.06331%0.31CS..  trans-126.2153.8165.8-70.3172.2000111.5Y16 I18 V59 N65 A66 E69Y16-L62 HydrophobicContact CG-CD2 4.48Å; I18-L62 HydrophobicContact CG2-CB 4.36Å; I18-L62 HydrophobicContact CG2-CD1 4.1Å; I18-L62 HydrophobicContact CG2-CG 4.06Å; V59-L62 HydrophobicContact CG2-CD2 3.69Å; V59-L62 HydrophobicContact CG2-CG 3.82Å; L62-N65 PolarHBondContact O-N 3.21Å; L62-A66 HydrophobicContact CB-CB 4.09Å; L62-A66 WeakPolarHBondContact CB-O 3.19Å; L62-A66 HydrophobicContact CD1-CB 4.41Å; L62-E69 HydrophobicContact CD1-CB 4.02Å; L62-E69 HydrophobicContact CD2-CB 3.91Å
63P80.3Confident82.4Confident59 Ų5960 Ų6038%0.38331%0.314SS..G310 helixtrans-51.2144.8173-24.533.1000112.4N65 A66 E69P63-N65 PolarHBondContact O-N 3.45Å; P63-N65 VanDerWaalsContact O-N 3.11Å; P63-A66 PolarHBondContact O-N 2.84Å; P63-A66 VanDerWaalsContact O-N 3.16Å; P63-E69 WeakPolarHBondContact CD-OE2 3.38Å
64K85.9Confident82Confident210 Ų21063.2 Ų63.291%0.91333%0.333SS*.G310 helixtrans57.326.2174.5-52.2175.5-178.4173.80113.9A66K64-A66 PolarHBondContact O-N 2.96Å
65N85.2Confident81.3Confident159 Ų15963.9 Ų63.985%0.8534%0.342SS*.G310 helixtrans56.231.8-177.3-57.3-28.3000113.3L62 P63L62-N65 PolarHBondContact O-N 3.21Å; P63-N65 PolarHBondContact O-N 3.45Å; P63-N65 VanDerWaalsContact O-N 3.11Å
66A88.9Confident80.3Confident33 Ų3367.1 Ų67.127%0.27336%0.363SS..  trans-63.6147.3171.400000110.3I18 L62 P63 K64I18-A66 WeakPolarHBondContact CG2-O 3.28Å; L62-A66 HydrophobicContact CB-CB 4.09Å; L62-A66 WeakPolarHBondContact CB-O 3.19Å; L62-A66 HydrophobicContact CD1-CB 4.41Å; P63-A66 PolarHBondContact O-N 2.84Å; P63-A66 VanDerWaalsContact O-N 3.16Å; K64-A66 PolarHBondContact O-N 2.96Å
67T93.3Very high78.9Confident81 Ų8170.9 Ų70.950%0.49739%0.392SS..SBendtrans-85.2-29.6171.6500000111.9A17 I18A17-T67 VanDerWaalsContact CA-O 3.28Å; A17-T67 WeakPolarHBondContact CA-O 3.11Å; I18-T67 HydrophobicContact CD1-CG2 4.06Å; I18-T67 PolarHBondContact N-O 3.44Å
68V90.5Very high77.2Confident37 Ų3775 Ų7522%0.22442%0.421CS..EExtended strand (participates in β ladder)trans-142.3138.8-179.6-178.60000109.5C15 Y16 A17 A26C15-V68 VanDerWaalsContact SG-CG1 3.56Å; Y16-V68 CarbonylContact O-C 3.52Å; Y16-V68 WeakPolarHBondContact O-CA 3.46Å; Y16-V68 WeakPolarHBondContact O-CG1 3.26Å; A17-V68 HydrophobicContact CB-CG2 4.11Å; A26-V68 HydrophobicContact CB-CG1 3.96Å; A26-V68 HydrophobicContact CB-CG2 4.2Å
69E88Confident75.4Confident51 Ų5177.2 Ų77.224%0.23843%0.431CS..EExtended strand (participates in β ladder)trans-129.7141.4171.1-174.5174.1139.900109.7Y16 L62 P63Y16-E69 PolarHBondContact N-O 2.83Å; Y16-E69 PolarHBondContact O-N 3.27Å; L62-E69 HydrophobicContact CD1-CB 4.02Å; L62-E69 HydrophobicContact CD2-CB 3.91Å; P63-E69 WeakPolarHBondContact CD-OE2 3.38Å
70W86Confident73.5Confident64 Ų6481.9 Ų81.924%0.24246%0.464CS..EExtended strand (participates in β ladder)trans-121.8140.9-178.9-70.793.8000111.8I14 C15 A26 F30 I54 W56 W72I14-W70 WeakPolarHBondContact O-CA 3.49Å; C15-W70 HydrophobicContact CB-CD2 3.91Å; C15-W70 HydrophobicContact CB-CE3 3.54Å; C15-W70 HydrophobicContact CB-CH2 3.83Å; C15-W70 HydrophobicContact CB-CZ2 4.07Å; C15-W70 HydrophobicContact CB-CZ3 3.53Å; C15-W70 VanDerWaalsContact SG-CE2 3.6Å; A26-W70 HydrophobicContact CB-CZ2 3.99Å; F30-W70 HydrophobicContact CB-CH2 3.84Å; F30-W70 HydrophobicContact CB-CZ2 4.2Å; F30-W70 AromaticContact CD2-CH2 3.75Å; F30-W70 HydrophobicContact CD2-CH2 3.75Å; F30-W70 HydrophobicContact CD2-CZ2 4.48Å; F30-W70 HydrophobicContact CD2-CZ3 4.16Å; F30-W70 AromaticContact CG-CH2 3.93Å; F30-W70 HydrophobicContact CG-CH2 3.93Å; I54-W70 HydrophobicContact CD1-CZ3 4.16Å; I54-W70 HydrophobicContact CG2-CH2 4.34Å; I54-W70 HydrophobicContact CG2-CZ3 3.76Å; W56-W70 HydrophobicContact CE3-CH2 4.46Å; W56-W70 AromaticContact CH2-CH2 3.33Å; W56-W70 HydrophobicContact CH2-CH2 3.33Å; W56-W70 HydrophobicContact CH2-CZ2 4.1Å; W56-W70 HydrophobicContact CH2-CZ3 4.11Å; W56-W70 HydrophobicContact CZ2-CH2 4.41Å; W56-W70 AromaticContact CZ3-CH2 3.36Å; W56-W70 HydrophobicContact CZ3-CH2 3.36Å; W56-W70 AromaticContact CZ3-CZ2 3.82Å; W56-W70 HydrophobicContact CZ3-CZ2 3.82Å; W56-W70 HydrophobicContact CZ3-CZ3 4.11Å; W70-W72 HydrophobicContact CB-CD2 4.29Å; W70-W72 HydrophobicContact CB-CE3 4.47Å; W70-W72 HydrophobicContact CB-CH2 3.47Å; W70-W72 VanDerWaalsContact CB-CH2 3.47Å; W70-W72 HydrophobicContact CB-CZ2 3.19Å; W70-W72 HydrophobicContact CB-CZ3 4.12Å; W70-W72 HydrophobicContact CD2-CE3 4.45Å; W70-W72 AromaticContact CD2-CH2 3.16Å; W70-W72 HydrophobicContact CD2-CH2 3.16Å; W70-W72 AromaticContact CD2-CZ2 3.92Å; W70-W72 HydrophobicContact CD2-CZ2 3.92Å; W70-W72 AromaticContact CD2-CZ3 3.5Å; W70-W72 HydrophobicContact CD2-CZ3 3.5Å; W70-W72 VanDerWaalsContact CD2-CZ3 3.5Å; W70-W72 AromaticContact CE2-CH2 3.82Å; W70-W72 AromaticContact CE3-CE3 3.75Å; W70-W72 HydrophobicContact CE3-CE3 3.75Å; W70-W72 AromaticContact CE3-CH2 3.25Å; W70-W72 HydrophobicContact CE3-CH2 3.25Å; W70-W72 HydrophobicContact CE3-CZ2 4.2Å; W70-W72 AromaticContact CE3-CZ3 2.98Å; W70-W72 HydrophobicContact CE3-CZ3 2.98Å; W70-W72 AromaticContact CG-CH2 3.31Å; W70-W72 HydrophobicContact CG-CH2 3.31Å; W70-W72 AromaticContact CG-CZ2 3.54Å; W70-W72 HydrophobicContact CG-CZ2 3.54Å; W70-W72 HydrophobicContact CG-CZ3 4.03Å; W70-W72 HydrophobicContact CH2-CH2 4.33Å; W70-W72 HydrophobicContact CH2-CZ3 4.08Å; W70-W72 HydrophobicContact CZ2-CH2 4.37Å; W70-W72 HydrophobicContact CZ3-CE3 4.2Å; W70-W72 AromaticContact CZ3-CH2 3.84Å; W70-W72 HydrophobicContact CZ3-CH2 3.84Å; W70-W72 AromaticContact CZ3-CZ3 3.31Å; W70-W72 HydrophobicContact CZ3-CZ3 3.31Å
71Q79.1Confident71.8Confident58 Ų5879 Ų7927%0.27144%0.441SS..EExtended strand (participates in β ladder)trans-129.2138.7169.1-63.3-177.7-4.300108.7G13 I14 Y16G13-Q71 CarbonylContact C-O 3.48Å; G13-Q71 VanDerWaalsContact CA-O 3.25Å; G13-Q71 WeakPolarHBondContact CA-O 3.41Å; I14-Q71 PolarHBondContact N-O 3.39Å; I14-Q71 PolarHBondContact O-N 2.82Å; Y16-Q71 HydrophobicContact CE2-CG 4.23Å
72W73.6Confident70.2Confident119 Ų11977.8 Ų77.845%0.45144%0.437SS..EExtended strand (participates in β ladder)trans-136.4142.5-178-11.480.1000110.3W7 L10 L12 F30 W70W7-W72 HydrophobicContact CZ3-CE3 4.4Å; W7-W72 HydrophobicContact CZ3-CZ3 4.44Å; L10-W72 HydrophobicContact CD1-CB 4.06Å; L12-W72 CarbonylContact O-C 3.59Å; L12-W72 WeakPolarHBondContact O-CA 3.45Å; F30-W72 HydrophobicContact CD2-CZ3 4.14Å; F30-W72 AromaticContact CE2-CZ3 3.99Å; F30-W72 HydrophobicContact CE2-CZ3 3.99Å; W70-W72 HydrophobicContact CB-CD2 4.29Å; W70-W72 HydrophobicContact CB-CE3 4.47Å; W70-W72 HydrophobicContact CB-CH2 3.47Å; W70-W72 VanDerWaalsContact CB-CH2 3.47Å; W70-W72 HydrophobicContact CB-CZ2 3.19Å; W70-W72 HydrophobicContact CB-CZ3 4.12Å; W70-W72 HydrophobicContact CD2-CE3 4.45Å; W70-W72 AromaticContact CD2-CH2 3.16Å; W70-W72 HydrophobicContact CD2-CH2 3.16Å; W70-W72 AromaticContact CD2-CZ2 3.92Å; W70-W72 HydrophobicContact CD2-CZ2 3.92Å; W70-W72 AromaticContact CD2-CZ3 3.5Å; W70-W72 HydrophobicContact CD2-CZ3 3.5Å; W70-W72 VanDerWaalsContact CD2-CZ3 3.5Å; W70-W72 AromaticContact CE2-CH2 3.82Å; W70-W72 AromaticContact CE3-CE3 3.75Å; W70-W72 HydrophobicContact CE3-CE3 3.75Å; W70-W72 AromaticContact CE3-CH2 3.25Å; W70-W72 HydrophobicContact CE3-CH2 3.25Å; W70-W72 HydrophobicContact CE3-CZ2 4.2Å; W70-W72 AromaticContact CE3-CZ3 2.98Å; W70-W72 HydrophobicContact CE3-CZ3 2.98Å; W70-W72 AromaticContact CG-CH2 3.31Å; W70-W72 HydrophobicContact CG-CH2 3.31Å; W70-W72 AromaticContact CG-CZ2 3.54Å; W70-W72 HydrophobicContact CG-CZ2 3.54Å; W70-W72 HydrophobicContact CG-CZ3 4.03Å; W70-W72 HydrophobicContact CH2-CH2 4.33Å; W70-W72 HydrophobicContact CH2-CZ3 4.08Å; W70-W72 HydrophobicContact CZ2-CH2 4.37Å; W70-W72 HydrophobicContact CZ3-CE3 4.2Å; W70-W72 AromaticContact CZ3-CH2 3.84Å; W70-W72 HydrophobicContact CZ3-CH2 3.84Å; W70-W72 AromaticContact CZ3-CZ3 3.31Å; W70-W72 HydrophobicContact CZ3-CZ3 3.31Å
73I69.9Low68.5Low83 Ų8379.8 Ų79.843%0.42645%0.447SS..EExtended strand (participates in β ladder)trans-114.8125.3166.9-51.8176.9000105.6F11 L12F11-I73 WeakPolarHBondContact CA-O 3.33Å; F11-I73 HydrophobicContact CB-CB 4.48Å; F11-I73 HydrophobicContact CB-CG2 4.34Å; F11-I73 WeakPolarHBondContact CB-O 3.46Å; F11-I73 HydrophobicContact CD1-CB 4.05Å; F11-I73 HydrophobicContact CD1-CG2 3.76Å; F11-I73 PolarHBondContact N-O 2.84Å; L12-I73 HydrophobicContact CB-CB 4.48Å; L12-I73 HydrophobicContact CD2-CD1 4.3Å; L12-I73 PolarHBondContact N-O 3.29Å; L12-I73 PolarHBondContact O-N 2.78Å
74T67.6Low66.9Low80 Ų8078 Ų7849%0.49144%0.435SS..EExtended strand (participates in β ladder)trans-112.1143170.260.50000108I6 N9 L10I6-T74 HydrophobicContact CG2-CG2 4.08Å; N9-T74 CarbonylContact O-C 3.52Å; N9-T74 WeakPolarHBondContact O-CA 2.96Å; N9-T74 WeakPolarHBondContact O-CB 3.15Å; L10-T74 HydrophobicContact CD1-CG2 4.38Å
75G61.2Low65.1Low22 Ų2270.9 Ų70.923%0.22741%0.412CS..  trans-144.3163.7-176.500000111.3N9 S77N9-G75 VanDerWaalsContact CB-O 3.24Å; N9-G75 WeakPolarHBondContact CB-O 3.27Å; N9-G75 PolarHBondContact O-N 2.99Å; G75-S77 PolarHBondContact O-N 3Å
76P56.4Low63.5Low77 Ų7764.7 Ų64.750%0.538%0.379SS..  trans-59.7129.3174.424.7-31.3000109.6S78 L79P76-S78 PolarHBondContact O-N 2.92Å; P76-L79 HydrophobicContact CG-CD1 4.05Å; P76-L79 HydrophobicContact CG-CG 4.43Å; P76-L79 PolarHBondContact O-N 2.78Å
77S53.5Low61.7Low95 Ų9568.4 Ų68.466%0.66439%0.394SS*.THydrogen-bonded Turntrans-53.3-17.5-179.848.50000114.8N9 G75 L79N9-S77 WeakPolarHBondContact OD1-CB 3.27Å; G75-S77 PolarHBondContact O-N 3Å; S77-L79 VanDerWaalsContact C-N 3.29Å; S77-L79 PolarHBondContact O-N 3.1Å
78S45.6Very low59.9Low97 Ų9769.1 Ų69.168%0.67839%0.39SS*.THydrogen-bonded Turntrans-72-16.9176.159.80000114.4P76 S80P76-S78 PolarHBondContact O-N 2.92Å; S78-S80 VanDerWaalsContact C-N 3.31Å; S78-S80 PolarHBondContact O-N 2.78Å; S78-S80 VanDerWaalsContact O-N 3.11Å
79L46.6Very low58.3Low105 Ų10567.6 Ų67.655%0.5538%0.381SS..  trans-81.584.6169.9-75.5169000107.9P76 S77 L81P76-L79 HydrophobicContact CG-CD1 4.05Å; P76-L79 HydrophobicContact CG-CG 4.43Å; P76-L79 PolarHBondContact O-N 2.78Å; S77-L79 VanDerWaalsContact C-N 3.29Å; S77-L79 PolarHBondContact O-N 3.1Å; L79-L81 HydrophobicContact CB-CD1 3.9Å; L79-L81 HydrophobicContact CD1-CD1 4.47Å; L79-L81 PolarHBondContact O-N 2.79Å
80S43.1Very low56.8Low104 Ų10467.9 Ų67.973%0.72738%0.384SS*.  trans-66.675.5170.750.70000109.7S78S78-S80 VanDerWaalsContact C-N 3.31Å; S78-S80 PolarHBondContact O-N 2.78Å; S78-S80 VanDerWaalsContact O-N 3.11Å
81L45.9Very low55.6Low24 Ų2467.5 Ų67.513%0.12639%0.391CS..  trans-94.9109.2177.1-88.9153.3000108.3F11 L79 I83 N99 T100 F101F11-L81 HydrophobicContact CD2-CB 4.04Å; F11-L81 HydrophobicContact CD2-CD1 4.1Å; F11-L81 HydrophobicContact CE1-CD1 4.49Å; F11-L81 HydrophobicContact CE2-CB 3.26Å; F11-L81 HydrophobicContact CE2-CD1 3.52Å; F11-L81 HydrophobicContact CE2-CD2 4.27Å; F11-L81 HydrophobicContact CE2-CG 3.86Å; F11-L81 HydrophobicContact CZ-CB 4.02Å; F11-L81 HydrophobicContact CZ-CD1 3.71Å; F11-L81 HydrophobicContact CZ-CD2 4.23Å; F11-L81 HydrophobicContact CZ-CG 4.23Å; L79-L81 HydrophobicContact CB-CD1 3.9Å; L79-L81 HydrophobicContact CD1-CD1 4.47Å; L79-L81 PolarHBondContact O-N 2.79Å; L81-I83 PolarHBondContact O-N 3.27Å; L81-I83 VanDerWaalsContact O-N 3.14Å; L81-N99 WeakPolarHBondContact CD2-O 3.36Å; L81-T100 HydrophobicContact CD2-CG2 4.16Å; L81-F101 HydrophobicContact CD1-CD2 3.78Å; L81-F101 HydrophobicContact CD1-CE2 4.41Å; L81-F101 HydrophobicContact CD2-CB 3.78Å; L81-F101 HydrophobicContact CD2-CD2 3.5Å; L81-F101 VanDerWaalsContact CD2-CD2 3.5Å; L81-F101 HydrophobicContact CD2-CG 4.06Å; L81-F101 HydrophobicContact CG-CD2 4.31Å
82V49.5Very low54.6Low64 Ų6474.4 Ų74.439%0.38842%0.415SS..  trans-72.9105.1-178.8179.20000109T84 P97 T100V82-T84 HydrophobicContact CG1-CG2 4.44Å; V82-T84 PolarHBondContact O-N 2.94Å; V82-P97 HydrophobicContact CG2-CG 3.86Å; V82-T100 HydrophobicContact CB-CG2 4.42Å; V82-T100 WeakPolarHBondContact O-CG2 3.34Å
83I47.4Very low53.6Low53 Ų5376.5 Ų76.527%0.27243%0.43SS..  trans-75116.8162.1-59.9176.4000107.1F11 L12 Q52 L81F11-I83 WeakPolarHBondContact O-CD1 3.46Å; L12-I83 HydrophobicContact CB-CD1 4.44Å; L12-I83 HydrophobicContact CD1-CD1 4.17Å; Q52-I83 WeakPolarHBondContact O-CB 3.43Å; Q52-I83 WeakPolarHBondContact O-CG2 3.45Å; L81-I83 PolarHBondContact O-N 3.27Å; L81-I83 VanDerWaalsContact O-N 3.14Å
84T48.4Very low52.7Low21 Ų2174.1 Ų74.113%0.12942%0.42CS..  trans-131.5149.3178.3-176.10000109.4V82 K88 V89 M102V82-T84 HydrophobicContact CG1-CG2 4.44Å; V82-T84 PolarHBondContact O-N 2.94Å; T84-K88 WeakPolarHBondContact OG1-CB 3.26Å; T84-V89 HydrophobicContact CG2-CG2 3.33Å; T84-M102 HydrophobicContact CG2-SD 4.1Å
85S47.7Very low52Low62 Ų6276.6 Ų76.643%0.43444%0.435SS..  trans-76.2151.9-179.5760000111N87 K88 V89S85-N87 PolarHBondContact O-N 2.92Å; S85-K88 PolarHBondContact O-N 3.46Å; S85-K88 PolarHBondContact OG-N 3.32Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 2.92Å
86L50.7Low51.7Low29 Ų2976 Ų7615%0.15243%0.426CS..Hα-helixtrans-52.7-40.8174.8-174.554.6000112.2K88 V89 L90 F104 N113 L117L86-K88 PolarHBondContact O-N 3.11Å; L86-V89 PolarHBondContact O-N 2.75Å; L86-L90 HydrophobicContact CD1-CD1 3.83Å; L86-L90 HydrophobicContact CD1-CD2 4.18Å; L86-L90 HydrophobicContact CD1-CG 3.7Å; L86-L90 HydrophobicContact CD2-CD1 4.14Å; L86-L90 HydrophobicContact CG-CD1 3.59Å; L86-L90 HydrophobicContact CG-CG 3.94Å; L86-L90 WeakPolarHBondContact O-CB 3.03Å; L86-L90 VanDerWaalsContact O-CG 3.26Å; L86-L90 WeakPolarHBondContact O-CG 3.19Å; L86-L90 PolarHBondContact O-N 3.4Å; L86-F104 HydrophobicContact CB-CD1 3.75Å; L86-F104 HydrophobicContact CB-CE1 3.95Å; L86-F104 HydrophobicContact CD1-CD1 3.57Å; L86-F104 HydrophobicContact CD1-CE1 3.39Å; L86-F104 HydrophobicContact CD1-CZ 4.38Å; L86-F104 HydrophobicContact CD2-CD1 4.45Å; L86-F104 HydrophobicContact CG-CD1 4.08Å; L86-F104 HydrophobicContact CG-CE1 4.21Å; L86-N113 HydrophobicContact CD2-CB 4.26Å; L86-L117 HydrophobicContact CD1-CD1 3.69Å; L86-L117 HydrophobicContact CD1-CG 4.09Å; L86-L117 HydrophobicContact CD2-CD1 4.17Å
87N52.1Low51.5Low110 Ų11074.8 Ų74.859%0.58842%0.418SS*.Hα-helixtrans-64-40.3179.1-74.5-12.7000112.4S85 V89 L90 S91S85-N87 PolarHBondContact O-N 2.92Å; N87-V89 VanDerWaalsContact C-N 3.32Å; N87-L90 PolarHBondContact O-N 3.35Å; N87-S91 VanDerWaalsContact O-CB 3.32Å; N87-S91 WeakPolarHBondContact O-CB 3.46Å; N87-S91 PolarHBondContact O-N 3.02Å; N87-S91 PolarHBondContact O-OG 3.25Å
88K55Low51.4Low96 Ų9673.5 Ų73.542%0.41741%0.41SS..Hα-helixtrans-65.6-36.3175.2-79.5-174.7176.5178.90111.7E47 T84 S85 L86 S91 S94E47-K88 IonicContact OE1-NZ 3.63Å; T84-K88 WeakPolarHBondContact OG1-CB 3.26Å; S85-K88 PolarHBondContact O-N 3.46Å; S85-K88 PolarHBondContact OG-N 3.32Å; L86-K88 PolarHBondContact O-N 3.11Å; K88-S91 PolarHBondContact O-OG 2.75Å; K88-S91 VanDerWaalsContact O-OG 3.09Å; K88-S94 PolarHBondContact O-OG 3.1Å
89V56.2Low51.6Low5 Ų574.2 Ų74.23%0.0341%0.406CS..Hα-helixtrans-68.9-47.6175.7174.10000111.4T84 S85 L86 N87 R92 I96 M102 F104 L120T84-V89 HydrophobicContact CG2-CG2 3.33Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 2.92Å; L86-V89 PolarHBondContact O-N 2.75Å; N87-V89 VanDerWaalsContact C-N 3.32Å; V89-R92 PolarHBondContact O-N 3.14Å; V89-I96 HydrophobicContact CB-CD1 4.48Å; V89-I96 HydrophobicContact CG1-CD1 3.56Å; V89-I96 HydrophobicContact CG1-CG1 4.47Å; V89-I96 HydrophobicContact CG2-CD1 4.1Å; V89-I96 HydrophobicContact CG2-CG1 4.29Å; V89-M102 HydrophobicContact CG2-SD 4.02Å; V89-F104 HydrophobicContact CG2-CE1 4.48Å; V89-F104 HydrophobicContact CG2-CZ 4.47Å; V89-L120 HydrophobicContact CG1-CD1 3.98Å; V89-L120 HydrophobicContact CG1-CD2 3.28Å; V89-L120 HydrophobicContact CG1-CG 4.27Å
90L56.6Low51.7Low57 Ų5769.3 Ų69.330%0.29838%0.38SS..Hα-helixtrans-68.9-32-178.9-70.2176.8000112.4L86 N87 R92 E116 L120L86-L90 HydrophobicContact CD1-CD1 3.83Å; L86-L90 HydrophobicContact CD1-CD2 4.18Å; L86-L90 HydrophobicContact CD1-CG 3.7Å; L86-L90 HydrophobicContact CD2-CD1 4.14Å; L86-L90 HydrophobicContact CG-CD1 3.59Å; L86-L90 HydrophobicContact CG-CG 3.94Å; L86-L90 WeakPolarHBondContact O-CB 3.03Å; L86-L90 VanDerWaalsContact O-CG 3.26Å; L86-L90 WeakPolarHBondContact O-CG 3.19Å; L86-L90 PolarHBondContact O-N 3.4Å; N87-L90 PolarHBondContact O-N 3.35Å; L90-R92 PolarHBondContact O-N 2.76Å; L90-R92 VanDerWaalsContact O-N 3.17Å; L90-E116 WeakPolarHBondContact CD1-OE2 3.44Å; L90-E116 HydrophobicContact CD2-CB 4.46Å; L90-L120 HydrophobicContact CD2-CD1 4.29Å
91S62.3Low52Low56 Ų5667.9 Ų67.939%0.39236%0.361SS..THydrogen-bonded Turntrans-69.5-5.2174.6670000113.3N87 K88 E93N87-S91 VanDerWaalsContact O-CB 3.32Å; N87-S91 WeakPolarHBondContact O-CB 3.46Å; N87-S91 PolarHBondContact O-N 3.02Å; N87-S91 PolarHBondContact O-OG 3.25Å; K88-S91 PolarHBondContact O-OG 2.75Å; K88-S91 VanDerWaalsContact O-OG 3.09Å; S91-E93 PolarHBondContact O-N 2.81Å; S91-E93 VanDerWaalsContact O-N 3.1Å; S91-E93 WeakPolarHBondContact OG-CG 3.47Å; S91-E93 PolarHBondContact OG-OE2 2.9Å
92R56.2Low52.2Low203 Ų20366.9 Ų66.977%0.76636%0.356SS*.THydrogen-bonded Turntrans57.614.6-174.9-57.4-176177-167.3-2.4114V89 L90 S94V89-R92 PolarHBondContact O-N 3.14Å; L90-R92 PolarHBondContact O-N 2.76Å; L90-R92 VanDerWaalsContact O-N 3.17Å; R92-S94 PolarHBondContact O-N 3.14Å
93E52.8Low52.2Low164 Ų16464.7 Ų64.777%0.76634%0.342SS*.  trans-77.2-12.3178.4-68.9175.1158.400112.1S91S91-E93 PolarHBondContact O-N 2.81Å; S91-E93 VanDerWaalsContact O-N 3.1Å; S91-E93 WeakPolarHBondContact OG-CG 3.47Å; S91-E93 PolarHBondContact OG-OE2 2.9Å
94S50.8Low52.4Low32 Ų3262.7 Ų62.722%0.22433%0.331CS..SBendtrans-125.5121.4177.561.60000112.4K88 R92K88-S94 PolarHBondContact O-OG 3.1Å; R92-S94 PolarHBondContact O-N 3.14Å
95V54.6Low52.5Low133 Ų13366.4 Ų66.481%0.80634%0.343SS*.PPolyproline II helixtrans-69.8124164177.90000107.8P97V95-P97 WeakPolarHBondContact O-CD 3.25Å
96I54.8Low52.6Low8 Ų870.8 Ų70.84%0.04135%0.35CS..PPolyproline II helixtrans-82.6118.8176-59.6155.4000107.6V89 T100 M102 L120 Y125 V147V89-I96 HydrophobicContact CB-CD1 4.48Å; V89-I96 HydrophobicContact CG1-CD1 3.56Å; V89-I96 HydrophobicContact CG1-CG1 4.47Å; V89-I96 HydrophobicContact CG2-CD1 4.1Å; V89-I96 HydrophobicContact CG2-CG1 4.29Å; I96-T100 HydrophobicContact CG2-CG2 4.08Å; I96-M102 HydrophobicContact CB-CE 4.43Å; I96-M102 HydrophobicContact CB-SD 4.42Å; I96-M102 HydrophobicContact CD1-CE 3.48Å; I96-M102 VanDerWaalsContact CD1-CE 3.48Å; I96-M102 HydrophobicContact CD1-SD 3.52Å; I96-M102 VanDerWaalsContact CD1-SD 3.52Å; I96-M102 HydrophobicContact CG1-CE 4.11Å; I96-M102 HydrophobicContact CG1-SD 3.73Å; I96-M102 HydrophobicContact CG2-CE 3.65Å; I96-M102 HydrophobicContact CG2-SD 3.79Å; I96-L120 HydrophobicContact CD1-CD2 4.22Å; I96-Y125 HydrophobicContact CB-CE1 3.81Å; I96-Y125 HydrophobicContact CB-CE2 4.29Å; I96-Y125 WeakPolarHBondContact CB-OH 3.34Å; I96-Y125 HydrophobicContact CD1-CD2 4.2Å; I96-Y125 HydrophobicContact CD1-CE1 4.47Å; I96-Y125 HydrophobicContact CD1-CE2 3.4Å; I96-Y125 VanDerWaalsContact CD1-CE2 3.4Å; I96-Y125 HydrophobicContact CG1-CE2 4.31Å; I96-Y125 PolarHBondContact N-OH 3.18Å; I96-V147 HydrophobicContact CG2-CB 4.04Å; I96-V147 HydrophobicContact CG2-CG1 3.9Å; I96-V147 HydrophobicContact CG2-CG2 4.16Å
97P51.2Low52.5Low52 Ų5276.5 Ų76.534%0.33837%0.371SS..PPolyproline II helixtrans-63152.4179-19.431.3000112.2V82 V95 T100V82-P97 HydrophobicContact CG2-CG 3.86Å; V95-P97 WeakPolarHBondContact O-CD 3.25Å; P97-T100 WeakPolarHBondContact CD-OG1 3.4Å; P97-T100 WeakPolarHBondContact O-CB 3.5Å; P97-T100 PolarHBondContact O-N 2.82Å; P97-T100 PolarHBondContact O-OG1 3.2Å
98S51Low52.7Low69 Ų6972.2 Ų72.248%0.48335%0.348SS..THydrogen-bonded Turntrans-59.6144.6171.9-34.60000111T100S98-T100 VanDerWaalsContact C-N 3.29Å
99N49.7Very low52.7Low112 Ų11272.8 Ų72.860%0.59936%0.36SS*.THydrogen-bonded Turntrans64.229.1-174.6-53.3-44.8000113.9L81 V147L81-N99 WeakPolarHBondContact CD2-O 3.36Å; N99-V147 CarbonylContact C-O 3.58Å; N99-V147 WeakPolarHBondContact CA-O 3.32Å; N99-V147 PolarHBondContact N-O 3.17Å
100T49.1Very low53Low2 Ų278.5 Ų78.51%0.01239%0.39CS..EExtended strand (participates in β ladder)trans-90.3128.3175.9-56.40000111.2L81 V82 I96 P97 S98 M102 V147L81-T100 HydrophobicContact CD2-CG2 4.16Å; V82-T100 HydrophobicContact CB-CG2 4.42Å; V82-T100 WeakPolarHBondContact O-CG2 3.34Å; I96-T100 HydrophobicContact CG2-CG2 4.08Å; P97-T100 WeakPolarHBondContact CD-OG1 3.4Å; P97-T100 WeakPolarHBondContact O-CB 3.5Å; P97-T100 PolarHBondContact O-N 2.82Å; P97-T100 PolarHBondContact O-OG1 3.2Å; S98-T100 VanDerWaalsContact C-N 3.29Å; T100-M102 HydrophobicContact CG2-CG 4.03Å; T100-V147 PolarHBondContact N-O 2.92Å; T100-V147 VanDerWaalsContact N-O 3.08Å; T100-V147 PolarHBondContact O-N 2.98Å
101F49Very low53.2Low74 Ų7482.6 Ų82.633%0.32541%0.408SS..EExtended strand (participates in β ladder)trans-91.5121.9166.8-62.7-77.1000108.8F11 L81 F144 V145F11-F101 HydrophobicContact CZ-CB 4.15Å; L81-F101 HydrophobicContact CD1-CD2 3.78Å; L81-F101 HydrophobicContact CD1-CE2 4.41Å; L81-F101 HydrophobicContact CD2-CB 3.78Å; L81-F101 HydrophobicContact CD2-CD2 3.5Å; L81-F101 VanDerWaalsContact CD2-CD2 3.5Å; L81-F101 HydrophobicContact CD2-CG 4.06Å; L81-F101 HydrophobicContact CG-CD2 4.31Å; F101-F144 HydrophobicContact CB-CD1 4.26Å; F101-F144 HydrophobicContact CB-CE1 3.49Å; F101-F144 VanDerWaalsContact CB-CE1 3.49Å; F101-F144 HydrophobicContact CB-CZ 4.03Å; F101-F144 AromaticContact CD1-CD1 3.87Å; F101-F144 HydrophobicContact CD1-CD1 3.87Å; F101-F144 AromaticContact CD1-CE1 3.45Å; F101-F144 HydrophobicContact CD1-CE1 3.45Å; F101-F144 VanDerWaalsContact CD1-CE1 3.45Å; F101-F144 HydrophobicContact CE1-CE1 4.35Å; F101-F144 HydrophobicContact CG-CD1 4.44Å; F101-F144 AromaticContact CG-CE1 3.66Å; F101-F144 HydrophobicContact CG-CE1 3.66Å; F101-F144 HydrophobicContact CG-CZ 4.49Å; F101-V145 CarbonylContact C-O 3.5Å; F101-V145 VanDerWaalsContact CA-O 3.25Å; F101-V145 WeakPolarHBondContact CA-O 3.1Å
102M51.5Low53.2Low2 Ų284.7 Ų84.71%0.0141%0.414CS..EExtended strand (participates in β ladder)trans-114.7126.4176.2-68.8179.2-72.400109.5T84 V89 I96 T100 F104 F144 V145 V147T84-M102 HydrophobicContact CG2-SD 4.1Å; V89-M102 HydrophobicContact CG2-SD 4.02Å; I96-M102 HydrophobicContact CB-CE 4.43Å; I96-M102 HydrophobicContact CB-SD 4.42Å; I96-M102 HydrophobicContact CD1-CE 3.48Å; I96-M102 VanDerWaalsContact CD1-CE 3.48Å; I96-M102 HydrophobicContact CD1-SD 3.52Å; I96-M102 VanDerWaalsContact CD1-SD 3.52Å; I96-M102 HydrophobicContact CG1-CE 4.11Å; I96-M102 HydrophobicContact CG1-SD 3.73Å; I96-M102 HydrophobicContact CG2-CE 3.65Å; I96-M102 HydrophobicContact CG2-SD 3.79Å; T100-M102 HydrophobicContact CG2-CG 4.03Å; M102-F104 HydrophobicContact CB-CD2 4.02Å; M102-F104 HydrophobicContact CB-CE2 3.26Å; M102-F104 HydrophobicContact CB-CZ 3.71Å; M102-F104 HydrophobicContact CE-CE2 4.07Å; M102-F104 HydrophobicContact CE-CZ 4.07Å; M102-F104 HydrophobicContact CG-CE2 4.24Å; M102-F104 HydrophobicContact CG-CZ 4.28Å; M102-F104 HydrophobicContact SD-CE2 4.05Å; M102-F104 HydrophobicContact SD-CZ 3.65Å; M102-F144 CarbonylContact O-C 3.56Å; M102-V145 HydrophobicContact CB-CB 4.25Å; M102-V145 HydrophobicContact CE-CG1 3.92Å; M102-V145 PolarHBondContact N-O 3.2Å; M102-V145 WeakPolarHBondContact O-CB 3.29Å; M102-V145 PolarHBondContact O-N 2.81Å; M102-V147 HydrophobicContact CE-CB 4.17Å; M102-V147 HydrophobicContact CE-CG2 3.21Å
103L48.5Very low53.3Low18 Ų1876.6 Ų76.69%0.09439%0.386CS..EExtended strand (participates in β ladder)trans-94.1116.6170.9-175.580.5000108.5L12 I14 V55 V132 F144L12-L103 HydrophobicContact CD1-CD2 3.96Å; L12-L103 HydrophobicContact CD2-CB 4.22Å; L12-L103 HydrophobicContact CD2-CD1 4.49Å; L12-L103 HydrophobicContact CD2-CD2 3.84Å; L12-L103 HydrophobicContact CD2-CG 4.4Å; L12-L103 HydrophobicContact CG-CD2 4.45Å; I14-L103 HydrophobicContact CD1-CD2 3.93Å; I14-L103 HydrophobicContact CG1-CD2 4.1Å; V55-L103 HydrophobicContact CB-CD2 4.01Å; V55-L103 HydrophobicContact CG1-CD2 4.31Å; V55-L103 HydrophobicContact CG2-CD2 3.53Å; L103-V132 HydrophobicContact CD1-CB 4.37Å; L103-V132 HydrophobicContact CD1-CG2 3.54Å; L103-F144 HydrophobicContact CB-CD2 4.5Å; L103-F144 HydrophobicContact CD1-CD2 3.56Å; L103-F144 HydrophobicContact CD1-CE2 4.07Å
104F51.2Low53.7Low11 Ų1170.8 Ų70.85%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-103.2125.7173.7-64.4-82.3000109.3L86 V89 M102 L117 A142 V143 V145L86-F104 HydrophobicContact CB-CD1 3.75Å; L86-F104 HydrophobicContact CB-CE1 3.95Å; L86-F104 HydrophobicContact CD1-CD1 3.57Å; L86-F104 HydrophobicContact CD1-CE1 3.39Å; L86-F104 HydrophobicContact CD1-CZ 4.38Å; L86-F104 HydrophobicContact CD2-CD1 4.45Å; L86-F104 HydrophobicContact CG-CD1 4.08Å; L86-F104 HydrophobicContact CG-CE1 4.21Å; V89-F104 HydrophobicContact CG2-CE1 4.48Å; V89-F104 HydrophobicContact CG2-CZ 4.47Å; M102-F104 HydrophobicContact CB-CD2 4.02Å; M102-F104 HydrophobicContact CB-CE2 3.26Å; M102-F104 HydrophobicContact CB-CZ 3.71Å; M102-F104 HydrophobicContact CE-CE2 4.07Å; M102-F104 HydrophobicContact CE-CZ 4.07Å; M102-F104 HydrophobicContact CG-CE2 4.24Å; M102-F104 HydrophobicContact CG-CZ 4.28Å; M102-F104 HydrophobicContact SD-CE2 4.05Å; M102-F104 HydrophobicContact SD-CZ 3.65Å; F104-L117 HydrophobicContact CB-CD1 3.68Å; F104-L117 HydrophobicContact CD1-CD1 3.62Å; F104-L117 HydrophobicContact CD1-CD2 4.34Å; F104-L117 HydrophobicContact CD1-CG 4.32Å; F104-L117 HydrophobicContact CD2-CD1 3.91Å; F104-L117 HydrophobicContact CD2-CD2 3.39Å; F104-L117 HydrophobicContact CD2-CG 4.18Å; F104-L117 HydrophobicContact CE1-CD1 4.14Å; F104-L117 HydrophobicContact CE1-CD2 4.3Å; F104-L117 HydrophobicContact CE1-CG 4.4Å; F104-L117 HydrophobicContact CE2-CD1 4.41Å; F104-L117 HydrophobicContact CE2-CD2 3.36Å; F104-L117 HydrophobicContact CE2-CG 4.27Å; F104-L117 HydrophobicContact CG-CD1 3.44Å; F104-L117 VanDerWaalsContact CG-CD1 3.44Å; F104-L117 HydrophobicContact CG-CD2 3.88Å; F104-L117 HydrophobicContact CG-CG 4.17Å; F104-L117 HydrophobicContact CZ-CD1 4.49Å; F104-L117 HydrophobicContact CZ-CD2 3.82Å; F104-L117 HydrophobicContact CZ-CG 4.35Å; F104-A142 CarbonylContact O-C 3.53Å; F104-A142 WeakPolarHBondContact O-CA 3.46Å; F104-V143 PolarHBondContact N-O 3.27Å; F104-V143 PolarHBondContact O-N 2.86Å; F104-V145 HydrophobicContact CD2-CB 3.99Å; F104-V145 HydrophobicContact CD2-CG2 3.46Å; F104-V145 VanDerWaalsContact CD2-CG2 3.46Å; F104-V145 HydrophobicContact CE2-CB 3.75Å; F104-V145 HydrophobicContact CE2-CG1 4.21Å; F104-V145 HydrophobicContact CE2-CG2 3.59Å
105Y52.1Low54.6Low99 Ų9977.9 Ų77.939%0.38838%0.383SS..EExtended strand (participates in β ladder)trans-129127.4178.379-87.6000109.6V55 L57V55-Y105 HydrophobicContact CB-CD1 4Å; V55-Y105 HydrophobicContact CB-CE1 4.12Å; V55-Y105 HydrophobicContact CG1-CD1 3.28Å; V55-Y105 HydrophobicContact CG1-CD2 3.83Å; V55-Y105 HydrophobicContact CG1-CE1 3.62Å; V55-Y105 HydrophobicContact CG1-CE2 4.11Å; V55-Y105 HydrophobicContact CG1-CG 3.37Å; V55-Y105 HydrophobicContact CG2-CD1 3.54Å; V55-Y105 HydrophobicContact CG2-CE1 3.71Å; V55-Y105 HydrophobicContact CG2-CG 4.45Å; L57-Y105 HydrophobicContact CD2-CD2 3.31Å; L57-Y105 HydrophobicContact CD2-CE2 3.95Å; L57-Y105 HydrophobicContact CD2-CG 4.01Å; L57-Y105 HydrophobicContact CG-CD2 4.44Å
106R49.4Very low55.2Low154 Ų15475.6 Ų75.658%0.58136%0.363SS*.EExtended strand (participates in β ladder)trans-166.4150.6159.3-125-178.6172.9-174.5-3.4111.2D108 T141R106-D108 PolarHBondContact O-N 2.94Å; R106-T141 PolarHBondContact N-O 3.02Å
107Y47.7Very low55.8Low150 Ų15075.4 Ų75.459%0.58836%0.363SS*.  trans-57.2102.1164.2-164.2-93.6000108.5V109 S139Y107-V109 HydrophobicContact CD1-CG2 3.44Å; Y107-V109 VanDerWaalsContact CD1-CG2 3.44Å; Y107-V109 HydrophobicContact CE1-CG2 3.11Å; Y107-S139 VanDerWaalsContact CD2-O 3.27Å; Y107-S139 WeakPolarHBondContact CD2-O 3.45Å; Y107-S139 WeakPolarHBondContact CE2-OG 3.26Å
108D56.2Low56.6Low20 Ų2074.7 Ų74.711%0.10736%0.359CS..  trans-117.771.7-172.5-165.93.1000110.5R106 N110 Q111 L112 N113 V114R106-D108 PolarHBondContact O-N 2.94Å; D108-N110 PolarHBondContact O-N 3.19Å; D108-Q111 VanDerWaalsContact CG-N 3.33Å; D108-Q111 PolarHBondContact O-N 2.81Å; D108-Q111 VanDerWaalsContact OD1-CA 3.29Å; D108-Q111 WeakPolarHBondContact OD1-CA 3.4Å; D108-Q111 PolarHBondContact OD1-N 2.74Å; D108-Q111 WeakPolarHBondContact OD2-CA 3.42Å; D108-L112 VanDerWaalsContact CG-N 3.33Å; D108-L112 PolarHBondContact OD1-N 3.39Å; D108-L112 PolarHBondContact OD2-N 3.25Å; D108-L112 VanDerWaalsContact OD2-N 3.1Å; D108-N113 WeakPolarHBondContact OD2-CA 3.49Å; D108-N113 WeakPolarHBondContact OD2-CB 3.21Å; D108-N113 PolarHBondContact OD2-N 3.38Å; D108-V114 PolarHBondContact OD2-N 3.03Å; D108-V114 VanDerWaalsContact OD2-N 3.14Å
109V54.8Low57.6Low108 Ų10875.5 Ų75.566%0.65536%0.357SS*.THydrogen-bonded Turntrans-52.7-26.5-178.9-172.90000112.2Y107Y107-V109 HydrophobicContact CD1-CG2 3.44Å; Y107-V109 VanDerWaalsContact CD1-CG2 3.44Å; Y107-V109 HydrophobicContact CE1-CG2 3.11Å
110N63.1Low58.5Low125 Ų12571 Ų7167%0.66833%0.333SS*.THydrogen-bonded Turntrans-119.710.7-173.8-65.7-25.5000114.4D108 L112D108-N110 PolarHBondContact O-N 3.19Å; N110-L112 HydrophobicContact CB-CD1 4.24Å; N110-L112 PolarHBondContact O-N 2.61Å
111Q62Low59.3Low143 Ų14371.4 Ų71.467%0.66834%0.335SS*.SBendtrans54.421.6-175.5-56.2-176.55.400114.8D108 V114 R115D108-Q111 VanDerWaalsContact CG-N 3.33Å; D108-Q111 PolarHBondContact O-N 2.81Å; D108-Q111 VanDerWaalsContact OD1-CA 3.29Å; D108-Q111 WeakPolarHBondContact OD1-CA 3.4Å; D108-Q111 PolarHBondContact OD1-N 2.74Å; D108-Q111 WeakPolarHBondContact OD2-CA 3.42Å; Q111-V114 PolarHBondContact O-N 3.28Å; Q111-R115 WeakPolarHBondContact O-CB 3.1Å; Q111-R115 PolarHBondContact O-N 2.68Å
112L62.4Low60.4Low99 Ų9973.9 Ų73.952%0.51835%0.352SS..Hα-helixtrans-68.1-41.3-174.6-120150000110.8D108 N110 R115 E116D108-L112 VanDerWaalsContact CG-N 3.33Å; D108-L112 PolarHBondContact OD1-N 3.39Å; D108-L112 PolarHBondContact OD2-N 3.25Å; D108-L112 VanDerWaalsContact OD2-N 3.1Å; N110-L112 HydrophobicContact CB-CD1 4.24Å; N110-L112 PolarHBondContact O-N 2.61Å; L112-R115 WeakPolarHBondContact O-CB 2.89Å; L112-R115 PolarHBondContact O-N 2.81Å; L112-E116 PolarHBondContact O-N 2.77Å
113N57.6Low61.4Low34 Ų3478.6 Ų78.618%0.18238%0.377CS..Hα-helixtrans-71-41.3178.6-60.5-52.9000110.6L86 D108 R115 E116 L117L86-N113 HydrophobicContact CD2-CB 4.26Å; D108-N113 WeakPolarHBondContact OD2-CA 3.49Å; D108-N113 WeakPolarHBondContact OD2-CB 3.21Å; D108-N113 PolarHBondContact OD2-N 3.38Å; N113-R115 PolarHBondContact O-N 3.34Å; N113-E116 PolarHBondContact O-N 3.08Å; N113-L117 VanDerWaalsContact O-CB 3.3Å; N113-L117 WeakPolarHBondContact O-CB 3.3Å; N113-L117 PolarHBondContact O-N 2.88Å
114V61.8Low62.2Low41 Ų4181.4 Ų81.425%0.24839%0.392CS..Hα-helixtrans-55.6-42.6173.7176.90000110.1D108 Q111 L117 S118 V143D108-V114 PolarHBondContact OD2-N 3.03Å; D108-V114 VanDerWaalsContact OD2-N 3.14Å; Q111-V114 PolarHBondContact O-N 3.28Å; V114-L117 PolarHBondContact O-N 3.39Å; V114-S118 WeakPolarHBondContact O-CB 3.45Å; V114-S118 PolarHBondContact O-N 3.45Å; V114-S118 PolarHBondContact O-OG 3.31Å; V114-V143 HydrophobicContact CG2-CG2 4.45Å
115R68.4Low62.7Low182 Ų18282.8 Ų82.869%0.68740%0.397SS*.Hα-helixtrans-66.4-46.7179.3-166.1179.8176.7-168.5-2112.4Q111 L112 N113 L117 S118 I119Q111-R115 WeakPolarHBondContact O-CB 3.1Å; Q111-R115 PolarHBondContact O-N 2.68Å; L112-R115 WeakPolarHBondContact O-CB 2.89Å; L112-R115 PolarHBondContact O-N 2.81Å; N113-R115 PolarHBondContact O-N 3.34Å; R115-L117 VanDerWaalsContact C-N 3.3Å; R115-L117 PolarHBondContact O-N 2.86Å; R115-S118 WeakPolarHBondContact O-CB 3.24Å; R115-S118 PolarHBondContact O-N 2.62Å; R115-I119 HydrophobicContact CG-CD1 4.39Å; R115-I119 VanDerWaalsContact O-CG1 3.31Å; R115-I119 WeakPolarHBondContact O-CG1 3.41Å; R115-I119 PolarHBondContact O-N 3.31Å
116E68.1Low63Low84 Ų8480.5 Ų80.539%0.39339%0.393SS..Hα-helixtrans-62.1-39.9176.2-74.6-168.3170.100112.1L90 L112 N113 I119 L120L90-E116 WeakPolarHBondContact CD1-OE2 3.44Å; L90-E116 HydrophobicContact CD2-CB 4.46Å; L112-E116 PolarHBondContact O-N 2.77Å; N113-E116 PolarHBondContact O-N 3.08Å; E116-I119 PolarHBondContact O-N 3.04Å; E116-L120 WeakPolarHBondContact O-CB 3.49Å; E116-L120 PolarHBondContact O-N 3.06Å
117L66.3Low63.6Low4 Ų475.3 Ų75.32%0.02139%0.388CS..Hα-helixtrans-62.3-43.1173.2-113.7132.8000113.1L86 F104 N113 V114 R115 I119 L120 L121 M129 V145L86-L117 HydrophobicContact CD1-CD1 3.69Å; L86-L117 HydrophobicContact CD1-CG 4.09Å; L86-L117 HydrophobicContact CD2-CD1 4.17Å; F104-L117 HydrophobicContact CB-CD1 3.68Å; F104-L117 HydrophobicContact CD1-CD1 3.62Å; F104-L117 HydrophobicContact CD1-CD2 4.34Å; F104-L117 HydrophobicContact CD1-CG 4.32Å; F104-L117 HydrophobicContact CD2-CD1 3.91Å; F104-L117 HydrophobicContact CD2-CD2 3.39Å; F104-L117 HydrophobicContact CD2-CG 4.18Å; F104-L117 HydrophobicContact CE1-CD1 4.14Å; F104-L117 HydrophobicContact CE1-CD2 4.3Å; F104-L117 HydrophobicContact CE1-CG 4.4Å; F104-L117 HydrophobicContact CE2-CD1 4.41Å; F104-L117 HydrophobicContact CE2-CD2 3.36Å; F104-L117 HydrophobicContact CE2-CG 4.27Å; F104-L117 HydrophobicContact CG-CD1 3.44Å; F104-L117 VanDerWaalsContact CG-CD1 3.44Å; F104-L117 HydrophobicContact CG-CD2 3.88Å; F104-L117 HydrophobicContact CG-CG 4.17Å; F104-L117 HydrophobicContact CZ-CD1 4.49Å; F104-L117 HydrophobicContact CZ-CD2 3.82Å; F104-L117 HydrophobicContact CZ-CG 4.35Å; N113-L117 VanDerWaalsContact O-CB 3.3Å; N113-L117 WeakPolarHBondContact O-CB 3.3Å; N113-L117 PolarHBondContact O-N 2.88Å; V114-L117 PolarHBondContact O-N 3.39Å; R115-L117 VanDerWaalsContact C-N 3.3Å; R115-L117 PolarHBondContact O-N 2.86Å; L117-I119 VanDerWaalsContact C-N 3.27Å; L117-I119 PolarHBondContact O-N 3.22Å; L117-L120 PolarHBondContact O-N 3.47Å; L117-L121 HydrophobicContact CD2-CD1 4.04Å; L117-L121 WeakPolarHBondContact O-CB 3.5Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 2.89Å; L117-M129 HydrophobicContact CB-SD 4.12Å; L117-M129 HydrophobicContact CD2-SD 4.21Å; L117-V145 HydrophobicContact CD2-CG2 3.53Å
118S68.6Low63.7Low38 Ų3873 Ų7327%0.26638%0.381SS..Hα-helixtrans-58.6-43.7175.6-52.60000110.6V114 R115 N122 M129V114-S118 WeakPolarHBondContact O-CB 3.45Å; V114-S118 PolarHBondContact O-N 3.45Å; V114-S118 PolarHBondContact O-OG 3.31Å; R115-S118 WeakPolarHBondContact O-CB 3.24Å; R115-S118 PolarHBondContact O-N 2.62Å; S118-N122 WeakPolarHBondContact O-CB 3.36Å; S118-N122 PolarHBondContact O-N 2.78Å; S118-M129 VanDerWaalsContact OG-CE 3.27Å; S118-M129 WeakPolarHBondContact OG-CE 3.41Å
119I72.5Confident63.7Low85 Ų8574.9 Ų74.944%0.43639%0.39SS..Hα-helixtrans-64.5-52.1177.6-66.9164.2000109.9R115 E116 L117 L121 N122 D123R115-I119 HydrophobicContact CG-CD1 4.39Å; R115-I119 VanDerWaalsContact O-CG1 3.31Å; R115-I119 WeakPolarHBondContact O-CG1 3.41Å; R115-I119 PolarHBondContact O-N 3.31Å; E116-I119 PolarHBondContact O-N 3.04Å; L117-I119 VanDerWaalsContact C-N 3.27Å; L117-I119 PolarHBondContact O-N 3.22Å; I119-L121 VanDerWaalsContact C-N 3.28Å; I119-L121 PolarHBondContact O-N 3.15Å; I119-N122 PolarHBondContact O-N 3.48Å; I119-D123 WeakPolarHBondContact CG2-OD2 3.45Å; I119-D123 WeakPolarHBondContact O-CB 3.27Å; I119-D123 VanDerWaalsContact O-CG 3.22Å; I119-D123 PolarHBondContact O-N 2.99Å
120L68Low63.3Low18 Ų1874.2 Ų74.29%0.09438%0.382CS..Hα-helixtrans-57.6-42.6-179.5-176.5112.9000112V89 L90 I96 E116 L117 N124 Y125V89-L120 HydrophobicContact CG1-CD1 3.98Å; V89-L120 HydrophobicContact CG1-CD2 3.28Å; V89-L120 HydrophobicContact CG1-CG 4.27Å; L90-L120 HydrophobicContact CD2-CD1 4.29Å; I96-L120 HydrophobicContact CD1-CD2 4.22Å; E116-L120 WeakPolarHBondContact O-CB 3.49Å; E116-L120 PolarHBondContact O-N 3.06Å; L117-L120 PolarHBondContact O-N 3.47Å; L120-N124 WeakPolarHBondContact O-CB 3.46Å; L120-N124 PolarHBondContact O-N 3.04Å; L120-N124 PolarHBondContact O-ND2 3.46Å; L120-N124 VanDerWaalsContact O-ND2 3.15Å; L120-Y125 HydrophobicContact CD2-CD2 4.47Å; L120-Y125 HydrophobicContact CD2-CE2 4.25Å
121L66.7Low62.7Low11 Ų1172.9 Ų72.96%0.05838%0.38CS..Hα-helixtrans-65.8-52.5176.2-70.5168.5000111.1L117 I119 D123 N124 Y125 M129 V145 V147L117-L121 HydrophobicContact CD2-CD1 4.04Å; L117-L121 WeakPolarHBondContact O-CB 3.5Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 2.89Å; I119-L121 VanDerWaalsContact C-N 3.28Å; I119-L121 PolarHBondContact O-N 3.15Å; L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 3.48Å; L121-N124 PolarHBondContact O-N 3.22Å; L121-Y125 HydrophobicContact CD2-CD2 4.41Å; L121-Y125 CarbonylContact O-C 3.52Å; L121-Y125 WeakPolarHBondContact O-CA 3.49Å; L121-Y125 PolarHBondContact O-N 3.21Å; L121-M129 HydrophobicContact CD1-CE 4.02Å; L121-M129 HydrophobicContact CD1-CG 3.92Å; L121-M129 HydrophobicContact CD1-SD 4.17Å; L121-V145 HydrophobicContact CD1-CB 4.45Å; L121-V145 HydrophobicContact CD1-CG1 3.55Å; L121-V145 HydrophobicContact CD1-CG2 4Å; L121-V145 HydrophobicContact CD2-CG1 3.35Å; L121-V145 HydrophobicContact CG-CG1 4.02Å; L121-V147 HydrophobicContact CD2-CG2 3.53Å
122N71.9Confident62.1Low126 Ų12667.5 Ų67.567%0.67436%0.358SS*.Hα-helixtrans-58.5-38.4179.9-94.3-8.8000112.9S118 I119 K150S118-N122 WeakPolarHBondContact O-CB 3.36Å; S118-N122 PolarHBondContact O-N 2.78Å; I119-N122 PolarHBondContact O-N 3.48Å; N122-K150 PolarHBondContact O-NZ 2.73Å
123D72Confident61.3Low100 Ų10067.1 Ų67.154%0.53536%0.359SS..Hα-helixtrans-72.4-47-177.4-70.2-10.8000110.6I119 L121 K150I119-D123 WeakPolarHBondContact CG2-OD2 3.45Å; I119-D123 WeakPolarHBondContact O-CB 3.27Å; I119-D123 VanDerWaalsContact O-CG 3.22Å; I119-D123 PolarHBondContact O-N 2.99Å; L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 3.48Å; D123-K150 PolarHBondContact O-NZ 3.18Å
124N64.9Low61Low78 Ų7872.9 Ų72.942%0.41738%0.382SS..Hα-helixtrans-113.3-16.3-163.3-55.9-68.3000115.4L120 L121L120-N124 WeakPolarHBondContact O-CB 3.46Å; L120-N124 PolarHBondContact O-N 3.04Å; L120-N124 PolarHBondContact O-ND2 3.46Å; L120-N124 VanDerWaalsContact O-ND2 3.15Å; L121-N124 PolarHBondContact O-N 3.22Å
125Y63Low60.2Low40 Ų4075.2 Ų75.216%0.15739%0.389CS..  trans-140.5165.4-169.1-58.4-69.7000112.2I96 L120 L121 V147 K150I96-Y125 HydrophobicContact CB-CE1 3.81Å; I96-Y125 HydrophobicContact CB-CE2 4.29Å; I96-Y125 WeakPolarHBondContact CB-OH 3.34Å; I96-Y125 HydrophobicContact CD1-CD2 4.2Å; I96-Y125 HydrophobicContact CD1-CE1 4.47Å; I96-Y125 HydrophobicContact CD1-CE2 3.4Å; I96-Y125 VanDerWaalsContact CD1-CE2 3.4Å; I96-Y125 HydrophobicContact CG1-CE2 4.31Å; I96-Y125 PolarHBondContact N-OH 3.18Å; L120-Y125 HydrophobicContact CD2-CD2 4.47Å; L120-Y125 HydrophobicContact CD2-CE2 4.25Å; L121-Y125 HydrophobicContact CD2-CD2 4.41Å; L121-Y125 CarbonylContact O-C 3.52Å; L121-Y125 WeakPolarHBondContact O-CA 3.49Å; L121-Y125 PolarHBondContact O-N 3.21Å; Y125-V147 HydrophobicContact CD1-CB 4.44Å; Y125-V147 HydrophobicContact CD1-CG1 3.22Å; Y125-V147 HydrophobicContact CD1-CG2 4.37Å; Y125-V147 HydrophobicContact CD2-CG2 4.3Å; Y125-V147 HydrophobicContact CE1-CG1 3.91Å; Y125-V147 HydrophobicContact CG-CB 4.44Å; Y125-V147 HydrophobicContact CG-CG1 3.59Å; Y125-V147 HydrophobicContact CG-CG2 3.94Å; Y125-K150 WeakPolarHBondContact O-CE 3.26Å
126T57.8Low59.2Low50 Ų5069.4 Ų69.431%0.30738%0.38SS..EExtended strand (participates in β ladder)trans-106.6135.5163.133.80000107.7V147 Q148 S149 K150T126-V147 CarbonylContact O-C 3.35Å; T126-Q148 PolarHBondContact N-O 3.42Å; T126-Q148 VanDerWaalsContact N-O 3.11Å; T126-Q148 WeakPolarHBondContact O-CA 3.47Å; T126-Q148 WeakPolarHBondContact O-CB 3.37Å; T126-Q148 PolarHBondContact O-N 3.09Å; T126-Q148 VanDerWaalsContact OG1-C 3.32Å; T126-Q148 PolarHBondContact OG1-O 3.1Å; T126-S149 VanDerWaalsContact OG1-C 3.22Å; T126-S149 PolarHBondContact OG1-O 3.17Å; T126-K150 HydrophobicContact CG2-CG 3.58Å; T126-K150 PolarHBondContact OG1-N 2.95Å
127G61Low58.6Low46 Ų4666 Ų6647%0.47437%0.365SS..EExtended strand (participates in β ladder)trans-179.4174.4-172.400000115.1S146G127-S146 WeakPolarHBondContact CA-O 3.35Å
128F50.5Low58.1Low101 Ų10171 Ų7144%0.44340%0.397SS..EExtended strand (participates in β ladder)trans-132.7141.1174.860.6-94.9000110.3L130 V145 S146F128-L130 HydrophobicContact CD2-CD1 4.12Å; F128-L130 HydrophobicContact CD2-CD2 4.37Å; F128-L130 HydrophobicContact CD2-CG 3.75Å; F128-L130 HydrophobicContact CE2-CD1 3.59Å; F128-L130 HydrophobicContact CE2-CG 3.77Å; F128-V145 WeakPolarHBondContact O-CA 3.35Å; F128-S146 PolarHBondContact N-O 2.92Å; F128-S146 PolarHBondContact O-N 3Å
129M56.2Low57.5Low60 Ų6070.9 Ų70.930%0.29640%0.397SS..EExtended strand (participates in β ladder)trans-95119.6170.8-89.3-176.7-72.800109.2L117 S118 L121 V143 F144 V145L117-M129 HydrophobicContact CB-SD 4.12Å; L117-M129 HydrophobicContact CD2-SD 4.21Å; S118-M129 VanDerWaalsContact OG-CE 3.27Å; S118-M129 WeakPolarHBondContact OG-CE 3.41Å; L121-M129 HydrophobicContact CD1-CE 4.02Å; L121-M129 HydrophobicContact CD1-CG 3.92Å; L121-M129 HydrophobicContact CD1-SD 4.17Å; M129-V143 HydrophobicContact CB-CG1 3.55Å; M129-V143 HydrophobicContact CG-CG1 3.43Å; M129-V143 VanDerWaalsContact CG-CG1 3.43Å; M129-V143 HydrophobicContact SD-CG1 3.83Å; M129-F144 CarbonylContact C-O 3.31Å; M129-F144 VanDerWaalsContact CA-O 3.26Å; M129-F144 WeakPolarHBondContact CA-O 3.31Å; M129-V145 HydrophobicContact CG-CG2 3.53Å; M129-V145 HydrophobicContact SD-CG2 4.36Å
130L46.5Very low56.5Low93 Ų9367.8 Ų67.849%0.48738%0.382SS..EExtended strand (participates in β ladder)trans-102.5128.2167.4-70.7173.6000109.1F128 V132 V143 F144F128-L130 HydrophobicContact CD2-CD1 4.12Å; F128-L130 HydrophobicContact CD2-CD2 4.37Å; F128-L130 HydrophobicContact CD2-CG 3.75Å; F128-L130 HydrophobicContact CE2-CD1 3.59Å; F128-L130 HydrophobicContact CE2-CG 3.77Å; L130-V132 PolarHBondContact O-N 3.02Å; L130-V132 VanDerWaalsContact O-N 3.1Å; L130-V143 CarbonylContact O-C 3.46Å; L130-V143 WeakPolarHBondContact O-CA 3.34Å; L130-F144 HydrophobicContact CB-CB 4.16Å; L130-F144 PolarHBondContact N-O 3.46Å; L130-F144 PolarHBondContact O-N 2.99Å
131P50.1Low55.8Low97 Ų9769.1 Ų69.163%0.6339%0.391SS*.EExtended strand (participates in β ladder)trans-61.4118.3164.526.2-30.3000107.7V133P131-V133 PolarHBondContact O-N 2.85Å
132V49.7Very low55.1Low31 Ų3169 Ų6919%0.18839%0.391CS..EExtended strand (participates in β ladder)trans-73122.7170.1-178.50000106.2I14 L103 L130 K134 A142 F144I14-V132 HydrophobicContact CD1-CG1 4.48Å; L103-V132 HydrophobicContact CD1-CB 4.37Å; L103-V132 HydrophobicContact CD1-CG2 3.54Å; L130-V132 PolarHBondContact O-N 3.02Å; L130-V132 VanDerWaalsContact O-N 3.1Å; V132-K134 PolarHBondContact O-N 3.36Å; V132-A142 HydrophobicContact CB-CB 3.84Å; V132-A142 HydrophobicContact CG1-CB 4.46Å; V132-A142 HydrophobicContact CG2-CB 4.47Å; V132-A142 PolarHBondContact N-O 3.11Å; V132-F144 HydrophobicContact CG2-CB 3.72Å; V132-F144 HydrophobicContact CG2-CD2 3.79Å; V132-F144 HydrophobicContact CG2-CG 4.25Å
133V46.5Very low54.2Low90 Ų9063.6 Ų63.655%0.54536%0.362SS..  trans-21.8116.3-173.8-173.20000112.5P131 F135P131-V133 PolarHBondContact O-N 2.85Å; V133-F135 HydrophobicContact CB-CD2 3.7Å; V133-F135 HydrophobicContact CB-CE2 3.48Å; V133-F135 VanDerWaalsContact CB-CE2 3.48Å; V133-F135 HydrophobicContact CB-CZ 4.31Å; V133-F135 HydrophobicContact CG1-CD1 4.48Å; V133-F135 HydrophobicContact CG1-CD2 3.53Å; V133-F135 HydrophobicContact CG1-CE1 4.24Å; V133-F135 HydrophobicContact CG1-CE2 3.25Å; V133-F135 HydrophobicContact CG1-CG 4.16Å; V133-F135 HydrophobicContact CG1-CZ 3.64Å; V133-F135 HydrophobicContact CG2-CE2 4.23Å; V133-F135 WeakPolarHBondContact O-CD2 3.45Å; V133-F135 PolarHBondContact O-N 3.26Å
134K49.8Very low53.3Low155 Ų15560.5 Ų60.567%0.67435%0.345SS*.  trans-59.484.1169.1-73.8-177.7176-177.20108.9V132 A136V132-K134 PolarHBondContact O-N 3.36Å; K134-A136 PolarHBondContact O-N 2.88Å
135F46.5Very low52.8Low90 Ų9056.8 Ų56.840%0.39533%0.325SS..  trans-82.2109.8171.2-82.5-74.4000108.6V133 D137V133-F135 HydrophobicContact CB-CD2 3.7Å; V133-F135 HydrophobicContact CB-CE2 3.48Å; V133-F135 VanDerWaalsContact CB-CE2 3.48Å; V133-F135 HydrophobicContact CB-CZ 4.31Å; V133-F135 HydrophobicContact CG1-CD1 4.48Å; V133-F135 HydrophobicContact CG1-CD2 3.53Å; V133-F135 HydrophobicContact CG1-CE1 4.24Å; V133-F135 HydrophobicContact CG1-CE2 3.25Å; V133-F135 HydrophobicContact CG1-CG 4.16Å; V133-F135 HydrophobicContact CG1-CZ 3.64Å; V133-F135 HydrophobicContact CG2-CE2 4.23Å; V133-F135 WeakPolarHBondContact O-CD2 3.45Å; V133-F135 PolarHBondContact O-N 3.26Å; F135-D137 PolarHBondContact O-N 3.29Å
136A46.8Very low52.4Low60 Ų6055.1 Ų55.150%0.49632%0.319SS..SBendtrans59-34.2170.200000118.4K134 P138K134-A136 PolarHBondContact O-N 2.88Å; A136-P138 WeakPolarHBondContact O-CD 3.44Å
137D54.5Low52.4Low13 Ų1352.8 Ų52.87%0.0730%0.304CS..  trans-107.6107.1-171.7-159.7-32.1000111.9V59 S60 F135 S139 V140V59-D137 HydrophobicContact CB-CB 4.31Å; V59-D137 HydrophobicContact CG1-CB 4.42Å; S60-D137 WeakPolarHBondContact CB-OD2 3.18Å; S60-D137 PolarHBondContact N-OD2 3.31Å; S60-D137 PolarHBondContact OG-OD2 3.07Å; F135-D137 PolarHBondContact O-N 3.29Å; D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 VanDerWaalsContact O-N 3.1Å; D137-S139 WeakPolarHBondContact OD1-CB 3.35Å; D137-S139 PolarHBondContact OD1-N 3.23Å; D137-S139 PolarHBondContact OD1-OG 3.36Å; D137-S139 PolarHBondContact OD2-OG 2.87Å; D137-V140 HydrophobicContact CB-CB 4.48Å; D137-V140 HydrophobicContact CB-CG2 4.2Å; D137-V140 PolarHBondContact O-N 3.43Å
138P57.4Low52.1Low109 Ų10955.1 Ų55.171%0.70830%0.303SS*.THydrogen-bonded Turntrans-64.6-12.6177.526.5-32.7000113.4A136A136-P138 WeakPolarHBondContact O-CD 3.44Å
139S55.8Low52.2Low36 Ų3654 Ų5425%0.25231%0.308SS..THydrogen-bonded Turntrans-85.8-13.6179.477.40000113.9Y107 D137Y107-S139 VanDerWaalsContact CD2-O 3.27Å; Y107-S139 WeakPolarHBondContact CD2-O 3.45Å; Y107-S139 WeakPolarHBondContact CE2-OG 3.26Å; D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 VanDerWaalsContact O-N 3.1Å; D137-S139 WeakPolarHBondContact OD1-CB 3.35Å; D137-S139 PolarHBondContact OD1-N 3.23Å; D137-S139 PolarHBondContact OD1-OG 3.36Å; D137-S139 PolarHBondContact OD2-OG 2.87Å
140V51.3Low52.4Low20 Ų2059.5 Ų59.512%0.12133%0.33CS..  trans-104.1117.7178.9-1780000109.9L57 V59 D137L57-V140 HydrophobicContact CD1-CG1 4.34Å; L57-V140 HydrophobicContact CD2-CG1 4.16Å; V59-V140 HydrophobicContact CG1-CG2 4.24Å; D137-V140 HydrophobicContact CB-CB 4.48Å; D137-V140 HydrophobicContact CB-CG2 4.2Å; D137-V140 PolarHBondContact O-N 3.43Å
141T53Low52.7Low46 Ų4657.9 Ų57.928%0.28232%0.322SS..EExtended strand (participates in β ladder)trans-112.8117.2172.1-56.10000109R106 V143R106-T141 PolarHBondContact N-O 3.02Å; T141-V143 HydrophobicContact CG2-CG2 3.87Å
142A53Low52.8Low7 Ų755.8 Ų55.86%0.05831%0.306CS..EExtended strand (participates in β ladder)trans-107.8138.9167.500000108.4F104 V132F104-A142 CarbonylContact O-C 3.53Å; F104-A142 WeakPolarHBondContact O-CA 3.46Å; V132-A142 HydrophobicContact CB-CB 3.84Å; V132-A142 HydrophobicContact CG1-CB 4.46Å; V132-A142 HydrophobicContact CG2-CB 4.47Å; V132-A142 PolarHBondContact N-O 3.11Å
143V51.1Low53Low13 Ų1357.2 Ų57.28%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-130.2125.8-176.5-168.70000109.1F104 V114 M129 L130 T141 V145F104-V143 PolarHBondContact N-O 3.27Å; F104-V143 PolarHBondContact O-N 2.86Å; V114-V143 HydrophobicContact CG2-CG2 4.45Å; M129-V143 HydrophobicContact CB-CG1 3.55Å; M129-V143 HydrophobicContact CG-CG1 3.43Å; M129-V143 VanDerWaalsContact CG-CG1 3.43Å; M129-V143 HydrophobicContact SD-CG1 3.83Å; L130-V143 CarbonylContact O-C 3.46Å; L130-V143 WeakPolarHBondContact O-CA 3.34Å; T141-V143 HydrophobicContact CG2-CG2 3.87Å; V143-V145 HydrophobicContact CG1-CG2 4.39Å
144F53.4Low53.3Low36 Ų3655.2 Ų55.216%0.15830%0.299CS..EExtended strand (participates in β ladder)trans-89.1130.3172.1-137.6-99.5000108.5F11 L12 F101 M102 L103 M129 L130 V132F11-F144 HydrophobicContact CE1-CZ 4.3Å; L12-F144 HydrophobicContact CD2-CE2 3.94Å; F101-F144 HydrophobicContact CB-CD1 4.26Å; F101-F144 HydrophobicContact CB-CE1 3.49Å; F101-F144 VanDerWaalsContact CB-CE1 3.49Å; F101-F144 HydrophobicContact CB-CZ 4.03Å; F101-F144 AromaticContact CD1-CD1 3.87Å; F101-F144 HydrophobicContact CD1-CD1 3.87Å; F101-F144 AromaticContact CD1-CE1 3.45Å; F101-F144 HydrophobicContact CD1-CE1 3.45Å; F101-F144 VanDerWaalsContact CD1-CE1 3.45Å; F101-F144 HydrophobicContact CE1-CE1 4.35Å; F101-F144 HydrophobicContact CG-CD1 4.44Å; F101-F144 AromaticContact CG-CE1 3.66Å; F101-F144 HydrophobicContact CG-CE1 3.66Å; F101-F144 HydrophobicContact CG-CZ 4.49Å; M102-F144 CarbonylContact O-C 3.56Å; L103-F144 HydrophobicContact CB-CD2 4.5Å; L103-F144 HydrophobicContact CD1-CD2 3.56Å; L103-F144 HydrophobicContact CD1-CE2 4.07Å; M129-F144 CarbonylContact C-O 3.31Å; M129-F144 VanDerWaalsContact CA-O 3.26Å; M129-F144 WeakPolarHBondContact CA-O 3.31Å; L130-F144 HydrophobicContact CB-CB 4.16Å; L130-F144 PolarHBondContact N-O 3.46Å; L130-F144 PolarHBondContact O-N 2.99Å; V132-F144 HydrophobicContact CG2-CB 3.72Å; V132-F144 HydrophobicContact CG2-CD2 3.79Å; V132-F144 HydrophobicContact CG2-CG 4.25Å
145V54.4Low53.6Low0 Ų049 Ų490%028%0.275CS..EExtended strand (participates in β ladder)trans-122.9113.9-178.8171.80000108.2F101 M102 F104 L117 L121 F128 M129 V143 V147F101-V145 CarbonylContact C-O 3.5Å; F101-V145 VanDerWaalsContact CA-O 3.25Å; F101-V145 WeakPolarHBondContact CA-O 3.1Å; M102-V145 HydrophobicContact CB-CB 4.25Å; M102-V145 HydrophobicContact CE-CG1 3.92Å; M102-V145 PolarHBondContact N-O 3.2Å; M102-V145 WeakPolarHBondContact O-CB 3.29Å; M102-V145 PolarHBondContact O-N 2.81Å; F104-V145 HydrophobicContact CD2-CB 3.99Å; F104-V145 HydrophobicContact CD2-CG2 3.46Å; F104-V145 VanDerWaalsContact CD2-CG2 3.46Å; F104-V145 HydrophobicContact CE2-CB 3.75Å; F104-V145 HydrophobicContact CE2-CG1 4.21Å; F104-V145 HydrophobicContact CE2-CG2 3.59Å; L117-V145 HydrophobicContact CD2-CG2 3.53Å; L121-V145 HydrophobicContact CD1-CB 4.45Å; L121-V145 HydrophobicContact CD1-CG1 3.55Å; L121-V145 HydrophobicContact CD1-CG2 4Å; L121-V145 HydrophobicContact CD2-CG1 3.35Å; L121-V145 HydrophobicContact CG-CG1 4.02Å; F128-V145 WeakPolarHBondContact O-CA 3.35Å; M129-V145 HydrophobicContact CG-CG2 3.53Å; M129-V145 HydrophobicContact SD-CG2 4.36Å; V143-V145 HydrophobicContact CG1-CG2 4.39Å; V145-V147 HydrophobicContact CG1-CG2 3.97Å
146S55.7Low54Low5 Ų546.3 Ų46.34%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-88.3117.3166.5-177.80000108.5G127 F128G127-S146 WeakPolarHBondContact CA-O 3.35Å; F128-S146 PolarHBondContact N-O 2.92Å; F128-S146 PolarHBondContact O-N 3Å
147V56.8Low54.6Low0 Ų045.3 Ų45.30%025%0.251CS..EExtended strand (participates in β ladder)trans-95.5123.1169.9163.80000109.6I96 N99 T100 M102 L121 Y125 T126 V145I96-V147 HydrophobicContact CG2-CB 4.04Å; I96-V147 HydrophobicContact CG2-CG1 3.9Å; I96-V147 HydrophobicContact CG2-CG2 4.16Å; N99-V147 CarbonylContact C-O 3.58Å; N99-V147 WeakPolarHBondContact CA-O 3.32Å; N99-V147 PolarHBondContact N-O 3.17Å; T100-V147 PolarHBondContact N-O 2.92Å; T100-V147 VanDerWaalsContact N-O 3.08Å; T100-V147 PolarHBondContact O-N 2.98Å; M102-V147 HydrophobicContact CE-CB 4.17Å; M102-V147 HydrophobicContact CE-CG2 3.21Å; L121-V147 HydrophobicContact CD2-CG2 3.53Å; Y125-V147 HydrophobicContact CD1-CB 4.44Å; Y125-V147 HydrophobicContact CD1-CG1 3.22Å; Y125-V147 HydrophobicContact CD1-CG2 4.37Å; Y125-V147 HydrophobicContact CD2-CG2 4.3Å; Y125-V147 HydrophobicContact CE1-CG1 3.91Å; Y125-V147 HydrophobicContact CG-CB 4.44Å; Y125-V147 HydrophobicContact CG-CG1 3.59Å; Y125-V147 HydrophobicContact CG-CG2 3.94Å; T126-V147 CarbonylContact O-C 3.35Å; V145-V147 HydrophobicContact CG1-CG2 3.97Å
148Q54.9Low54.6Low96 Ų9647.8 Ų47.845%0.44927%0.265SS..EExtended strand (participates in β ladder)trans-109.7155167.9-63.8-174.4-10.700108.4T126T126-Q148 PolarHBondContact N-O 3.42Å; T126-Q148 VanDerWaalsContact N-O 3.11Å; T126-Q148 WeakPolarHBondContact O-CA 3.47Å; T126-Q148 WeakPolarHBondContact O-CB 3.37Å; T126-Q148 PolarHBondContact O-N 3.09Å; T126-Q148 VanDerWaalsContact OG1-C 3.32Å; T126-Q148 PolarHBondContact OG1-O 3.1Å
149S53.9Low54.3Low77 Ų7742.7 Ų42.754%0.53823%0.228SC..  trans-69.2136.9171.152.90000109.6T126T126-S149 VanDerWaalsContact OG1-C 3.22Å; T126-S149 PolarHBondContact OG1-O 3.17Å
150K58.5Low54.2Low176 Ų17643.3 Ų43.377%0.76523%0.226SC*.  trans-62.90166.6-91.5179.6-179.7175.50111.5N122 D123 Y125 T126N122-K150 PolarHBondContact O-NZ 2.73Å; D123-K150 PolarHBondContact O-NZ 3.18Å; Y125-K150 WeakPolarHBondContact O-CE 3.26Å; T126-K150 HydrophobicContact CG2-CG 3.58Å; T126-K150 PolarHBondContact OG1-N 2.95Å

Retrieved 150 of 150 residues in 224.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).