A0A3Q0KCE3_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KCE3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 184 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
1M62.8Low80.9Confident84 Ų8467.5 Ų67.541%0.41438%0.383SS..  0140.20-178.5179.1-54.900107.7F6 D88 F89 K120M1-F6 WeakPolarHBondContact SD-CA 3.3Å; M1-F6 HydrophobicContact SD-CB 3.93Å; M1-F6 HydrophobicContact SD-CD2 4.39Å; M1-F6 PolarHBondContact SD-N 3.17Å; M1-D88 HydrophobicContact CE-CB 3.93Å; M1-D88 WeakPolarHBondContact CE-OD2 3.5Å; M1-F89 HydrophobicContact CE-CD2 3.58Å; M1-F89 HydrophobicContact CE-CE2 3.16Å; M1-F89 HydrophobicContact CE-CZ 4.17Å; M1-K120 PolarHBondContact SD-NZ 3.44Å
2N78.2Confident81.3Confident112 Ų11272.7 Ų72.760%0.59939%0.394SS*.  trans-83.3163.6172.266.50.2000111V4 G5 F6N2-V4 PolarHBondContact O-N 3.31Å; N2-G5 PolarHBondContact O-N 3.28Å; N2-G5 WeakPolarHBondContact OD1-CA 3.45Å; N2-G5 PolarHBondContact OD1-N 3.45Å; N2-F6 PolarHBondContact O-N 2.9Å; N2-F6 VanDerWaalsContact O-N 3.09Å
3E80.2Confident81.5Confident110 Ų11068.7 Ų68.751%0.51438%0.38SS..Hα-helixtrans-60.9-40.9-174.3-178.6155.8-145.200113.4G5 F6 Y7 K65E3-G5 PolarHBondContact O-N 2.91Å; E3-F6 WeakPolarHBondContact O-CA 3.29Å; E3-F6 VanDerWaalsContact O-CB 3.32Å; E3-F6 WeakPolarHBondContact O-CB 3.47Å; E3-F6 PolarHBondContact O-N 3.06Å; E3-Y7 HydrophobicContact CG-CD2 3.94Å; E3-Y7 HydrophobicContact CG-CE2 3.5Å; E3-Y7 WeakPolarHBondContact O-CD2 3.43Å; E3-Y7 PolarHBondContact O-N 3.42Å; E3-K65 IonicContact OE1-NZ 3.37Å; E3-K65 PolarHBondContact OE1-NZ 2.81Å
4V80.5Confident81.7Confident104 Ų10469.1 Ų69.163%0.6338%0.381SS*.Hα-helixtrans-59.3-47.3175.6177.20000111.2N2 F6 Y7 V8N2-V4 PolarHBondContact O-N 3.31Å; V4-F6 PolarHBondContact O-N 3.19Å; V4-Y7 PolarHBondContact O-N 2.87Å; V4-V8 HydrophobicContact CG1-CG2 4.24Å; V4-V8 WeakPolarHBondContact O-CG2 3.38Å; V4-V8 PolarHBondContact O-N 3.02Å
5G81Confident82.1Confident24 Ų2472.1 Ų72.125%0.24739%0.389CS..Hα-helixtrans-60.8-30.4176.600000112.5N2 E3 S9N2-G5 PolarHBondContact O-N 3.28Å; N2-G5 WeakPolarHBondContact OD1-CA 3.45Å; N2-G5 PolarHBondContact OD1-N 3.45Å; E3-G5 PolarHBondContact O-N 2.91Å; G5-S9 PolarHBondContact O-N 3.02Å; G5-S9 PolarHBondContact O-OG 3.25Å
6F83.3Confident82.3Confident1 Ų168.4 Ų68.40%0.00437%0.369CS..Hα-helixtrans-63.4-54.4174.9-179.1-92.6000111.9M1 N2 E3 V4 S9 T10 L37 E63 K65 F67 K120M1-F6 WeakPolarHBondContact SD-CA 3.3Å; M1-F6 HydrophobicContact SD-CB 3.93Å; M1-F6 HydrophobicContact SD-CD2 4.39Å; M1-F6 PolarHBondContact SD-N 3.17Å; N2-F6 PolarHBondContact O-N 2.9Å; N2-F6 VanDerWaalsContact O-N 3.09Å; E3-F6 WeakPolarHBondContact O-CA 3.29Å; E3-F6 VanDerWaalsContact O-CB 3.32Å; E3-F6 WeakPolarHBondContact O-CB 3.47Å; E3-F6 PolarHBondContact O-N 3.06Å; V4-F6 PolarHBondContact O-N 3.19Å; F6-S9 PolarHBondContact O-OG 2.97Å; F6-T10 PolarHBondContact O-N 3.18Å; F6-T10 VanDerWaalsContact O-N 3.08Å; F6-T10 PolarHBondContact O-OG1 3.26Å; F6-L37 HydrophobicContact CZ-CD1 3.91Å; F6-E63 HydrophobicContact CD2-CB 4.38Å; F6-E63 HydrophobicContact CD2-CG 4.03Å; F6-E63 HydrophobicContact CE2-CB 3.71Å; F6-E63 HydrophobicContact CE2-CG 3.83Å; F6-E63 HydrophobicContact CZ-CB 4.32Å; F6-E63 WeakPolarHBondContact CZ-O 3.34Å; F6-K65 HydrophobicContact CD1-CG 4.38Å; F6-K65 HydrophobicContact CE1-CG 3.67Å; F6-K65 HydrophobicContact CZ-CG 4.2Å; F6-F67 HydrophobicContact CE1-CZ 4.02Å; F6-K120 VanDerWaalsContact CA-NZ 3.35Å; F6-K120 HydrophobicContact CD2-CD 3.78Å; F6-K120 VanDerWaalsContact CD2-CE 3.5Å; F6-K120 HydrophobicContact CE2-CD 3.69Å; F6-K120 HydrophobicContact CE2-CG 4.05Å; F6-K120 WeakPolarHBondContact O-CE 3.25Å; F6-K120 PolarHBondContact O-NZ 3.41Å; F6-K120 VanDerWaalsContact O-NZ 3.17Å
7Y83.9Confident82.4Confident101 Ų10167.8 Ų67.840%0.39637%0.366SS..Hα-helixtrans-64.6-45.1-178.5-72-73.2000113.1E3 V4 S9 T10 A11 F67E3-Y7 HydrophobicContact CG-CD2 3.94Å; E3-Y7 HydrophobicContact CG-CE2 3.5Å; E3-Y7 WeakPolarHBondContact O-CD2 3.43Å; E3-Y7 PolarHBondContact O-N 3.42Å; V4-Y7 PolarHBondContact O-N 2.87Å; Y7-S9 VanDerWaalsContact C-N 3.31Å; Y7-S9 PolarHBondContact O-N 3.2Å; Y7-T10 PolarHBondContact O-N 2.85Å; Y7-A11 WeakPolarHBondContact O-CB 3.37Å; Y7-A11 PolarHBondContact O-N 3.07Å; Y7-F67 AromaticContact CE1-CE1 3.73Å; Y7-F67 HydrophobicContact CE1-CE1 3.73Å; Y7-F67 AromaticContact CE1-CZ 3.97Å; Y7-F67 HydrophobicContact CE1-CZ 3.97Å
8V86.4Confident82.4Confident96 Ų9675.4 Ų75.458%0.58239%0.39SS*.Hα-helixtrans-57.6-45.3-179.11710000111.1V4 A11 Y12V4-V8 HydrophobicContact CG1-CG2 4.24Å; V4-V8 WeakPolarHBondContact O-CG2 3.38Å; V4-V8 PolarHBondContact O-N 3.02Å; V8-A11 PolarHBondContact O-N 3.4Å; V8-Y12 WeakPolarHBondContact O-CB 3.25Å; V8-Y12 PolarHBondContact O-N 3.11Å
9S83.4Confident82.4Confident40 Ų4075.2 Ų75.228%0.2840%0.395SS..Hα-helixtrans-77.7-25.1-179.450.50000113.7G5 F6 Y7 G13 K120G5-S9 PolarHBondContact O-N 3.02Å; G5-S9 PolarHBondContact O-OG 3.25Å; F6-S9 PolarHBondContact O-OG 2.97Å; Y7-S9 VanDerWaalsContact C-N 3.31Å; Y7-S9 PolarHBondContact O-N 3.2Å; S9-G13 PolarHBondContact O-N 3.28Å; S9-K120 WeakPolarHBondContact OG-CE 3.19Å; S9-K120 PolarHBondContact OG-NZ 3.17Å
10T84.3Confident82.5Confident13 Ų1375.6 Ų75.68%0.0840%0.403CS..Hα-helixtrans-68-45.2168.5-62.30000111.1F6 Y7 Y12 G13 L14 L37 K120F6-T10 PolarHBondContact O-N 3.18Å; F6-T10 VanDerWaalsContact O-N 3.08Å; F6-T10 PolarHBondContact O-OG1 3.26Å; Y7-T10 PolarHBondContact O-N 2.85Å; T10-Y12 VanDerWaalsContact C-N 3.31Å; T10-Y12 PolarHBondContact O-N 3.49Å; T10-G13 WeakPolarHBondContact O-CA 3.47Å; T10-G13 PolarHBondContact O-N 3.02Å; T10-L14 PolarHBondContact O-N 3.18Å; T10-L37 HydrophobicContact CG2-CD1 3.99Å; T10-K120 VanDerWaalsContact OG1-CE 3.26Å; T10-K120 WeakPolarHBondContact OG1-CE 3.39Å
11A86.7Confident82.6Confident57 Ų5774.9 Ų74.947%0.47141%0.414SS..Hα-helixtrans-60.4-41.6175.200000111.5Y7 V8 G13 L14 F15Y7-A11 WeakPolarHBondContact O-CB 3.37Å; Y7-A11 PolarHBondContact O-N 3.07Å; V8-A11 PolarHBondContact O-N 3.4Å; A11-G13 VanDerWaalsContact C-N 3.32Å; A11-G13 PolarHBondContact O-N 3.39Å; A11-L14 PolarHBondContact O-N 3.27Å; A11-F15 WeakPolarHBondContact O-CB 3.48Å; A11-F15 PolarHBondContact O-N 3.45Å
12Y84.9Confident83.7Confident130 Ų13074.3 Ų74.351%0.5141%0.407SS..Hα-helixtrans-61.5-38.9172.7-177.5-110.7000112.7V8 T10 F15 L16V8-Y12 WeakPolarHBondContact O-CB 3.25Å; V8-Y12 PolarHBondContact O-N 3.11Å; T10-Y12 VanDerWaalsContact C-N 3.31Å; T10-Y12 PolarHBondContact O-N 3.49Å; Y12-F15 PolarHBondContact O-N 3Å; Y12-L16 HydrophobicContact CD1-CD1 3.83Å; Y12-L16 HydrophobicContact CD1-CG 4.45Å; Y12-L16 HydrophobicContact CE1-CD1 3.29Å; Y12-L16 HydrophobicContact CE1-CG 4.08Å; Y12-L16 HydrophobicContact CE2-CD1 4.25Å; Y12-L16 HydrophobicContact CE2-CD2 4.31Å; Y12-L16 HydrophobicContact CE2-CG 4.17Å; Y12-L16 WeakPolarHBondContact O-CG 3.4Å; Y12-L16 PolarHBondContact O-N 2.79Å
13G83.9Confident84.3Confident21 Ų2172 Ų7222%0.21640%0.398CS..Hα-helixtrans-61.7-44.7173.800000113S9 T10 A11 L16 N17S9-G13 PolarHBondContact O-N 3.28Å; T10-G13 WeakPolarHBondContact O-CA 3.47Å; T10-G13 PolarHBondContact O-N 3.02Å; A11-G13 VanDerWaalsContact C-N 3.32Å; A11-G13 PolarHBondContact O-N 3.39Å; G13-L16 PolarHBondContact O-N 3.3Å; G13-N17 PolarHBondContact O-N 2.93Å; G13-N17 VanDerWaalsContact O-N 3.07Å
14L84.3Confident84.9Confident74 Ų7468.2 Ų68.239%0.38738%0.379SS..Hα-helixtrans-62.6-44174.5-75.1169.1000111.7T10 A11 L16 N17 Y18 W24 L39T10-L14 PolarHBondContact O-N 3.18Å; A11-L14 PolarHBondContact O-N 3.27Å; L14-L16 PolarHBondContact O-N 3.02Å; L14-N17 PolarHBondContact O-N 3.37Å; L14-Y18 WeakPolarHBondContact O-CB 3.38Å; L14-Y18 PolarHBondContact O-N 2.83Å; L14-W24 HydrophobicContact CD2-CE3 4.35Å; L14-W24 HydrophobicContact CD2-CH2 3.77Å; L14-W24 HydrophobicContact CD2-CZ3 3.61Å; L14-W24 HydrophobicContact CG-CH2 4.04Å; L14-W24 HydrophobicContact CG-CZ3 3.96Å; L14-L39 HydrophobicContact CD2-CD1 3.81Å
15F88.7Confident85.7Confident114 Ų11466.1 Ų66.150%0.536%0.361SS..Hα-helixtrans-58.8-47.8176.1175.2-95.8000111.9A11 Y12 N17 Y18 C19A11-F15 WeakPolarHBondContact O-CB 3.48Å; A11-F15 PolarHBondContact O-N 3.45Å; Y12-F15 PolarHBondContact O-N 3Å; F15-N17 VanDerWaalsContact C-N 3.28Å; F15-N17 PolarHBondContact O-N 2.98Å; F15-Y18 PolarHBondContact O-N 2.81Å; F15-C19 HydrophobicContact CD2-CB 4.3Å; F15-C19 HydrophobicContact CE1-CB 4.32Å; F15-C19 HydrophobicContact CE2-CB 3.94Å; F15-C19 WeakPolarHBondContact CE2-SG 3.28Å; F15-C19 HydrophobicContact CZ-CB 3.95Å; F15-C19 WeakPolarHBondContact O-CB 3.42Å; F15-C19 PolarHBondContact O-N 2.89Å
16L84.6Confident86.4Confident13 Ų1365.5 Ų65.57%0.06835%0.352CS..Hα-helixtrans-65.5-31.9178.2-71176.2000113Y12 G13 L14 C20 G21 R22Y12-L16 HydrophobicContact CD1-CD1 3.83Å; Y12-L16 HydrophobicContact CD1-CG 4.45Å; Y12-L16 HydrophobicContact CE1-CD1 3.29Å; Y12-L16 HydrophobicContact CE1-CG 4.08Å; Y12-L16 HydrophobicContact CE2-CD1 4.25Å; Y12-L16 HydrophobicContact CE2-CD2 4.31Å; Y12-L16 HydrophobicContact CE2-CG 4.17Å; Y12-L16 WeakPolarHBondContact O-CG 3.4Å; Y12-L16 PolarHBondContact O-N 2.79Å; G13-L16 PolarHBondContact O-N 3.3Å; L14-L16 PolarHBondContact O-N 3.02Å; L16-C20 HydrophobicContact CD2-CB 4.21Å; L16-C20 CarbonylContact O-C 3.43Å; L16-C20 WeakPolarHBondContact O-CA 3.33Å; L16-C20 VanDerWaalsContact O-CB 3.31Å; L16-C20 WeakPolarHBondContact O-CB 3.45Å; L16-C20 PolarHBondContact O-N 2.9Å; L16-C20 VanDerWaalsContact O-N 3.16Å; L16-G21 PolarHBondContact O-N 3.48Å; L16-R22 HydrophobicContact CB-CB 4.27Å; L16-R22 WeakPolarHBondContact O-CB 3.15Å; L16-R22 PolarHBondContact O-N 3.5Å; L16-R22 VanDerWaalsContact O-N 3.1Å
17N84.6Confident86.9Confident59 Ų5970 Ų7032%0.31637%0.369SS..Hα-helixtrans-67.4-48.2174.1172.7-110.6000111.5G13 L14 F15 G21 R22 W24G13-N17 PolarHBondContact O-N 2.93Å; G13-N17 VanDerWaalsContact O-N 3.07Å; L14-N17 PolarHBondContact O-N 3.37Å; F15-N17 VanDerWaalsContact C-N 3.28Å; F15-N17 PolarHBondContact O-N 2.98Å; N17-G21 PolarHBondContact O-N 2.84Å; N17-R22 WeakPolarHBondContact CA-O 3.47Å; N17-R22 WeakPolarHBondContact CB-O 3.35Å; N17-R22 PolarHBondContact ND2-O 2.98Å; N17-W24 HydrophobicContact CB-CE3 4.1Å; N17-W24 PolarHBondContact ND2-N 3.46Å
18Y81.6Confident87.5Confident204 Ų20465.9 Ų65.980%0.835%0.354SS*.Hα-helixtrans-73.8-49.7-176.5-174.8-105.7000112.9L14 F15L14-Y18 WeakPolarHBondContact O-CB 3.38Å; L14-Y18 PolarHBondContact O-N 2.83Å; F15-Y18 PolarHBondContact O-N 2.81Å
19C82.9Confident87.8Confident72 Ų7263.3 Ų63.349%0.48634%0.34SS..Hα-helixtrans-90-28.4-172.6-64.80000114F15F15-C19 HydrophobicContact CD2-CB 4.3Å; F15-C19 HydrophobicContact CE1-CB 4.32Å; F15-C19 HydrophobicContact CE2-CB 3.94Å; F15-C19 WeakPolarHBondContact CE2-SG 3.28Å; F15-C19 HydrophobicContact CZ-CB 3.95Å; F15-C19 WeakPolarHBondContact O-CB 3.42Å; F15-C19 PolarHBondContact O-N 2.89Å
20C83.8Confident88.3Confident82 Ų8266.5 Ų66.555%0.55436%0.36SS*.Hα-helixtrans-113.27.3-173.8-530000113.3L16 R22L16-C20 HydrophobicContact CD2-CB 4.21Å; L16-C20 CarbonylContact O-C 3.43Å; L16-C20 WeakPolarHBondContact O-CA 3.33Å; L16-C20 VanDerWaalsContact O-CB 3.31Å; L16-C20 WeakPolarHBondContact O-CB 3.45Å; L16-C20 PolarHBondContact O-N 2.9Å; L16-C20 VanDerWaalsContact O-N 3.16Å; C20-R22 PolarHBondContact O-N 3.17Å; C20-R22 VanDerWaalsContact O-N 3.12Å
21G84Confident88.9Confident62 Ų6266.9 Ų66.964%0.63936%0.363SS*.  trans63.217.1179.600000114.4L16 N17 P23L16-G21 PolarHBondContact O-N 3.48Å; N17-G21 PolarHBondContact O-N 2.84Å; G21-P23 WeakPolarHBondContact O-CD 3.28Å
22R87Confident89.4Confident71 Ų7164.5 Ų64.527%0.26834%0.342SS..  trans-67.5120.5177.7179.4179.4-70.8-169.72.5109.1L16 N17 C20 W24L16-R22 HydrophobicContact CB-CB 4.27Å; L16-R22 WeakPolarHBondContact O-CB 3.15Å; L16-R22 PolarHBondContact O-N 3.5Å; L16-R22 VanDerWaalsContact O-N 3.1Å; N17-R22 WeakPolarHBondContact CA-O 3.47Å; N17-R22 WeakPolarHBondContact CB-O 3.35Å; N17-R22 PolarHBondContact ND2-O 2.98Å; C20-R22 PolarHBondContact O-N 3.17Å; C20-R22 VanDerWaalsContact O-N 3.12Å; R22-W24 PolarHBondContact O-N 3.26Å
23P91.2Very high90Very high63 Ų6358.4 Ų58.441%0.40932%0.318SS..  trans-67133.2-175.928-35.8000111.5G21 Y25 R153G21-P23 WeakPolarHBondContact O-CD 3.28Å; P23-Y25 VanDerWaalsContact C-N 3.34Å; P23-Y25 WeakPolarHBondContact CB-O 3.44Å; P23-Y25 PolarHBondContact O-N 3.25Å; P23-R153 PolarHBondContact O-NH1 2.97Å
24W92.9Very high90.7Very high32 Ų3257.4 Ų57.412%0.12131%0.308CS..SBendtrans-61.5-45.1-179.4-170.5-103.8000111.2L14 N17 R22 A36 L37 L39 R153L14-W24 HydrophobicContact CD2-CE3 4.35Å; L14-W24 HydrophobicContact CD2-CH2 3.77Å; L14-W24 HydrophobicContact CD2-CZ3 3.61Å; L14-W24 HydrophobicContact CG-CH2 4.04Å; L14-W24 HydrophobicContact CG-CZ3 3.96Å; N17-W24 HydrophobicContact CB-CE3 4.1Å; N17-W24 PolarHBondContact ND2-N 3.46Å; R22-W24 PolarHBondContact O-N 3.26Å; W24-A36 HydrophobicContact CD2-CB 3.84Å; W24-A36 HydrophobicContact CE3-CB 4.23Å; W24-A36 HydrophobicContact CG-CB 4.36Å; W24-A36 HydrophobicContact CH2-CB 4.11Å; W24-A36 HydrophobicContact CZ2-CB 3.7Å; W24-A36 HydrophobicContact CZ3-CB 4.35Å; W24-A36 PolarHBondContact O-N 3.25Å; W24-A36 VanDerWaalsContact O-N 3.15Å; W24-L37 HydrophobicContact CZ2-CB 4.17Å; W24-L37 VanDerWaalsContact CZ2-O 3.32Å; W24-L37 WeakPolarHBondContact CZ2-O 3.37Å; W24-L37 PolarHBondContact NE1-O 3.18Å; W24-L39 HydrophobicContact CH2-CD1 3.99Å; W24-L39 HydrophobicContact CZ2-CD1 3.65Å; W24-L39 HydrophobicContact CZ2-CD2 4.33Å; W24-L39 HydrophobicContact CZ2-CG 3.8Å; W24-R153 PolarHBondContact O-NH1 3.43Å; W24-R153 PolarHBondContact O-NH2 2.97Å
25Y95.7Very high91.2Very high60 Ų6053.9 Ų53.924%0.23529%0.29CS..EExtended strand (participates in β ladder)trans-128.5161.7170.262.2-99000110.6P23 I33 V34 W46 E50P23-Y25 VanDerWaalsContact C-N 3.34Å; P23-Y25 WeakPolarHBondContact CB-O 3.44Å; P23-Y25 PolarHBondContact O-N 3.25Å; Y25-I33 HydrophobicContact CD2-CG2 3.59Å; Y25-I33 HydrophobicContact CE2-CG2 4.48Å; Y25-I33 HydrophobicContact CG-CG2 3.99Å; Y25-V34 CarbonylContact C-O 3.5Å; Y25-V34 VanDerWaalsContact CA-O 3.29Å; Y25-V34 WeakPolarHBondContact CA-O 3.49Å; Y25-W46 HydrophobicContact CD1-CE3 4.39Å; Y25-W46 HydrophobicContact CD1-CZ3 4.45Å; Y25-W46 AromaticContact CE1-CD2 4Å; Y25-W46 HydrophobicContact CE1-CD2 4Å; Y25-W46 AromaticContact CE1-CE3 3.96Å; Y25-W46 HydrophobicContact CE1-CE3 3.96Å; Y25-W46 HydrophobicContact CE1-CG 4.25Å; Y25-W46 HydrophobicContact CE1-CZ3 4.44Å; Y25-E50 HydrophobicContact CE2-CG 4.25Å; Y25-E50 PolarHBondContact OH-OE1 2.82Å
26S95.7Very high91.6Very high10 Ų1048.6 Ų48.67%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-129126.3176.1-61.30000108.7V34 F152 R153S26-V34 PolarHBondContact N-O 3.39Å; S26-V34 PolarHBondContact O-N 3.4Å; S26-F152 WeakPolarHBondContact CB-O 3.22Å; S26-F152 PolarHBondContact OG-O 2.92Å; S26-F152 VanDerWaalsContact OG-O 3.05Å; S26-R153 PolarHBondContact OG-NH1 3.07Å
27R95.7Very high92.1Very high96 Ų9648 Ų4836%0.36226%0.264SS..EExtended strand (participates in β ladder)trans-77129.3170.7-174.8174.3-87.9-109.4-1.2109.2S29 P30 I33 E50 F152R27-S29 VanDerWaalsContact CG-O 3.29Å; R27-S29 WeakPolarHBondContact CG-O 3.5Å; R27-P30 PolarHBondContact NH1-O 2.98Å; R27-I33 HydrophobicContact CB-CG1 4.29Å; R27-I33 HydrophobicContact CG-CG1 4.22Å; R27-E50 IonicContact CZ-OE2 3.72Å; R27-E50 IonicContact NE-OE2 2.7Å; R27-E50 PolarHBondContact NE-OE2 2.81Å; R27-E50 PolarHBondContact NH2-O 3.48Å; R27-E50 IonicContact NH2-OE2 3.66Å; R27-E50 PolarHBondContact NH2-OE2 2.93Å; R27-F152 WeakPolarHBondContact O-CD1 3.32Å
28I94.8Very high92.6Very high15 Ų1545.1 Ų45.18%0.07725%0.249CC..EExtended strand (participates in β ladder)trans-103.5-40.1-176.6-51.4-59.2000110.4L32 V34 L130 F152I28-L32 HydrophobicContact CB-CB 4.15Å; I28-L32 PolarHBondContact N-O 2.95Å; I28-V34 HydrophobicContact CD1-CG1 3.8Å; I28-V34 HydrophobicContact CG1-CG1 4.01Å; I28-L130 HydrophobicContact CD1-CD2 3.93Å; I28-L130 HydrophobicContact CG1-CD1 4.44Å; I28-L130 HydrophobicContact CG1-CD2 3.71Å; I28-L130 HydrophobicContact CG2-CD1 4.44Å; I28-F152 HydrophobicContact CD1-CB 3.35Å; I28-F152 HydrophobicContact CD1-CD1 4.47Å; I28-F152 HydrophobicContact CD1-CD2 3.79Å; I28-F152 HydrophobicContact CD1-CG 3.65Å; I28-F152 HydrophobicContact CG2-CD2 3.94Å; I28-F152 HydrophobicContact CG2-CE2 3.83Å; I28-F152 HydrophobicContact CG2-CZ 4.39Å; I28-F152 VanDerWaalsContact O-CZ 3.28Å; I28-F152 WeakPolarHBondContact O-CZ 3.5Å
29S93.8Very high93.2Very high41 Ų4136.7 Ų36.729%0.28722%0.217SC..EExtended strand (participates in β ladder)trans-148.5173.5175.381.10000109.2R27 S31 L32R27-S29 VanDerWaalsContact CG-O 3.29Å; R27-S29 WeakPolarHBondContact CG-O 3.5Å; S29-S31 PolarHBondContact O-N 3.14Å; S29-S31 PolarHBondContact OG-N 3.12Å; S29-L32 PolarHBondContact N-O 3.47Å; S29-L32 PolarHBondContact O-N 3.4Å; S29-L32 WeakPolarHBondContact OG-CB 3.28Å; S29-L32 PolarHBondContact OG-N 3.27Å
30P93.9Very high93.7Very high107 Ų10736.6 Ų36.670%0.69521%0.208SC*.THydrogen-bonded Turntrans-52.2-29.1175.3-29.137.3000114.3R27R27-P30 PolarHBondContact NH1-O 2.98Å
31S96.1Very high94.1Very high22 Ų2242.8 Ų42.815%0.15423%0.226CC..THydrogen-bonded Turntrans-108.7-0.5-177.1-62.30000114.5S29 G113 C114 V115S29-S31 PolarHBondContact O-N 3.14Å; S29-S31 PolarHBondContact OG-N 3.12Å; S31-G113 WeakPolarHBondContact CA-O 3.29Å; S31-G113 WeakPolarHBondContact CB-O 3.43Å; S31-G113 PolarHBondContact OG-O 3.39Å; S31-C114 WeakPolarHBondContact O-CA 3.44Å; S31-V115 WeakPolarHBondContact O-CG1 3.43Å; S31-V115 PolarHBondContact O-N 3.05Å
32L97.3Very high94.5Very high7 Ų742.4 Ų42.44%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-132.1123.2-171.8-68.1167.4000112I28 S29 I105 V115 I117 Y133I28-L32 HydrophobicContact CB-CB 4.15Å; I28-L32 PolarHBondContact N-O 2.95Å; S29-L32 PolarHBondContact N-O 3.47Å; S29-L32 PolarHBondContact O-N 3.4Å; S29-L32 WeakPolarHBondContact OG-CB 3.28Å; S29-L32 PolarHBondContact OG-N 3.27Å; L32-I105 HydrophobicContact CD2-CG2 3.52Å; L32-V115 HydrophobicContact CD2-CG1 3.22Å; L32-V115 HydrophobicContact CG-CG1 4.37Å; L32-I117 HydrophobicContact CD2-CD1 4.43Å; L32-Y133 HydrophobicContact CD1-CD1 4.04Å; L32-Y133 HydrophobicContact CD1-CE1 3.5Å
33I98Very high94.9Very high1 Ų139 Ų391%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-128.4137.2174.4-57.4172.1000108.9Y25 R27 E50 V52 V115 Y116 I117Y25-I33 HydrophobicContact CD2-CG2 3.59Å; Y25-I33 HydrophobicContact CE2-CG2 4.48Å; Y25-I33 HydrophobicContact CG-CG2 3.99Å; R27-I33 HydrophobicContact CB-CG1 4.29Å; R27-I33 HydrophobicContact CG-CG1 4.22Å; I33-E50 HydrophobicContact CD1-CB 3.74Å; I33-E50 HydrophobicContact CD1-CG 4.02Å; I33-E50 WeakPolarHBondContact CD1-OE2 3.4Å; I33-V52 HydrophobicContact CD1-CG2 4.18Å; I33-V115 PolarHBondContact N-O 3.25Å; I33-Y116 HydrophobicContact CB-CD2 3.96Å; I33-Y116 HydrophobicContact CG2-CD2 3.62Å; I33-Y116 HydrophobicContact CG2-CE2 3.84Å; I33-Y116 WeakPolarHBondContact O-CA 3.29Å; I33-I117 PolarHBondContact O-N 3.3Å
34V97.6Very high95Very high0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans-120.8135175.269.20000111.3Y25 S26 I28 I117 L130Y25-V34 CarbonylContact C-O 3.5Å; Y25-V34 VanDerWaalsContact CA-O 3.29Å; Y25-V34 WeakPolarHBondContact CA-O 3.49Å; S26-V34 PolarHBondContact N-O 3.39Å; S26-V34 PolarHBondContact O-N 3.4Å; I28-V34 HydrophobicContact CD1-CG1 3.8Å; I28-V34 HydrophobicContact CG1-CG1 4.01Å; V34-I117 CarbonylContact C-O 3.6Å; V34-I117 VanDerWaalsContact CA-O 3.26Å; V34-I117 WeakPolarHBondContact CA-O 3.24Å; V34-I117 WeakPolarHBondContact CG2-O 3.09Å; V34-L130 HydrophobicContact CB-CD2 3.96Å; V34-L130 HydrophobicContact CG1-CD2 3.82Å; V34-L130 HydrophobicContact CG2-CD2 4.3Å
35G96.3Very high95Very high0 Ų046.6 Ų46.60%023%0.233CC..EExtended strand (participates in β ladder)trans-162-173.9-173.900000117.7Y116 I117 H118 C119 G122G35-Y116 WeakPolarHBondContact CA-OH 3.39Å; G35-I117 PolarHBondContact N-O 2.87Å; G35-H118 WeakPolarHBondContact O-CA 3.21Å; G35-H118 WeakPolarHBondContact O-CB 3.29Å; G35-C119 PolarHBondContact O-N 2.73Å; G35-G122 WeakPolarHBondContact O-CA 3.45Å; G35-G122 PolarHBondContact O-N 3.48Å
36A95.6Very high94.9Very high3 Ų344.6 Ų44.63%0.02523%0.225CC..SBendtrans-83.4-164.8174.900000111.6W24 Y116 H118 C119 K120W24-A36 HydrophobicContact CD2-CB 3.84Å; W24-A36 HydrophobicContact CE3-CB 4.23Å; W24-A36 HydrophobicContact CG-CB 4.36Å; W24-A36 HydrophobicContact CH2-CB 4.11Å; W24-A36 HydrophobicContact CZ2-CB 3.7Å; W24-A36 HydrophobicContact CZ3-CB 4.35Å; W24-A36 PolarHBondContact O-N 3.25Å; W24-A36 VanDerWaalsContact O-N 3.15Å; A36-Y116 PolarHBondContact N-OH 3.49Å; A36-Y116 PolarHBondContact O-OH 2.7Å; A36-H118 WeakPolarHBondContact O-CB 3.48Å; A36-C119 CarbonylContact C-O 3.51Å; A36-K120 CarbonylContact C-O 3.58Å; A36-K120 VanDerWaalsContact CA-O 3.31Å; A36-K120 WeakPolarHBondContact CA-O 3.4Å; A36-K120 VanDerWaalsContact CB-O 3.28Å; A36-K120 WeakPolarHBondContact CB-O 3.37Å
37L95.7Very high94.9Very high0 Ų046 Ų460%023%0.23CC..  trans-56.4133.1-177.8-63.5172.3000112.3F6 T10 W24 L39 L59 F67 V68 C119 K120F6-L37 HydrophobicContact CZ-CD1 3.91Å; T10-L37 HydrophobicContact CG2-CD1 3.99Å; W24-L37 HydrophobicContact CZ2-CB 4.17Å; W24-L37 VanDerWaalsContact CZ2-O 3.32Å; W24-L37 WeakPolarHBondContact CZ2-O 3.37Å; W24-L37 PolarHBondContact NE1-O 3.18Å; L37-L39 HydrophobicContact CB-CD2 3.94Å; L37-L39 PolarHBondContact O-N 3.41Å; L37-L59 HydrophobicContact CD2-CD1 3.48Å; L37-L59 VanDerWaalsContact CD2-CD1 3.48Å; L37-L59 HydrophobicContact CD2-CD2 3.91Å; L37-L59 HydrophobicContact CD2-CG 4.32Å; L37-F67 HydrophobicContact CD1-CE2 4.26Å; L37-V68 HydrophobicContact CB-CG1 4.44Å; L37-V68 HydrophobicContact CB-CG2 4.24Å; L37-V68 HydrophobicContact CD1-CG2 3.97Å; L37-V68 HydrophobicContact CD2-CG1 4.09Å; L37-V68 HydrophobicContact CD2-CG2 4.07Å; L37-V68 HydrophobicContact CG-CG2 4.32Å; L37-C119 PolarHBondContact N-O 3.37Å; L37-K120 HydrophobicContact CD1-CG 4.48Å; L37-K120 HydrophobicContact CG-CG 4.47Å; L37-K120 PolarHBondContact N-O 3.35Å; L37-K120 VanDerWaalsContact N-O 3.08Å
38P95.1Very high94.8Very high0 Ų044.4 Ų44.40%024%0.238CC..  trans-72.193167.629.4-34.4000109.5K40 W43 V68 I69 Y116 H118P38-K40 PolarHBondContact O-N 2.88Å; P38-W43 HydrophobicContact CB-CD2 4.24Å; P38-W43 HydrophobicContact CB-CE3 3.29Å; P38-W43 HydrophobicContact CB-CH2 4.36Å; P38-W43 HydrophobicContact CB-CZ3 3.35Å; P38-V68 HydrophobicContact CG-CG1 3.95Å; P38-V68 WeakPolarHBondContact O-CA 3.43Å; P38-I69 HydrophobicContact CB-CB 3.94Å; P38-I69 HydrophobicContact CB-CG1 4.13Å; P38-I69 HydrophobicContact CG-CB 3.89Å; P38-I69 PolarHBondContact O-N 3.44Å; P38-Y116 HydrophobicContact CB-CE1 4.03Å; P38-Y116 HydrophobicContact CG-CE1 4.4Å; P38-H118 WeakPolarHBondContact CD-CE1 3.5Å; P38-H118 VanDerWaalsContact CD-ND1 3.32Å; P38-H118 WeakPolarHBondContact CD-ND1 3.3Å
39L94.3Very high94.8Very high26 Ų2649.2 Ų49.214%0.13626%0.264CS..BIsolated β-bridgetrans-76.1123.2-177.2-59.6177.7000110.5L14 W24 L37 K41 S42 W43 F67L14-L39 HydrophobicContact CD2-CD1 3.81Å; W24-L39 HydrophobicContact CH2-CD1 3.99Å; W24-L39 HydrophobicContact CZ2-CD1 3.65Å; W24-L39 HydrophobicContact CZ2-CD2 4.33Å; W24-L39 HydrophobicContact CZ2-CG 3.8Å; L37-L39 HydrophobicContact CB-CD2 3.94Å; L37-L39 PolarHBondContact O-N 3.41Å; L39-K41 PolarHBondContact O-N 3.35Å; L39-S42 PolarHBondContact O-N 3.39Å; L39-S42 VanDerWaalsContact O-N 3.07Å; L39-W43 WeakPolarHBondContact O-CB 3.06Å; L39-W43 PolarHBondContact O-N 3.27Å; L39-F67 WeakPolarHBondContact CA-O 3.23Å; L39-F67 HydrophobicContact CD2-CD2 3.84Å; L39-F67 HydrophobicContact CD2-CE2 4.21Å
40K94.1Very high94.8Very high70 Ų7049 Ų4930%0.30426%0.258SS..Hα-helixtrans-51.8-37.6-178.1-65.1-164.9-176.2-170.10113.1P38 S42 W43 S66 F67 V68 I69 D73P38-K40 PolarHBondContact O-N 2.88Å; K40-S42 PolarHBondContact O-N 2.99Å; K40-W43 PolarHBondContact O-N 2.73Å; K40-S66 VanDerWaalsContact CD-O 3.24Å; K40-S66 WeakPolarHBondContact CD-O 3.35Å; K40-S66 WeakPolarHBondContact CE-O 3.37Å; K40-S66 PolarHBondContact NZ-O 3.36Å; K40-F67 PolarHBondContact N-O 3.29Å; K40-V68 WeakPolarHBondContact CE-O 3.24Å; K40-I69 HydrophobicContact CB-CD1 4.47Å; K40-I69 HydrophobicContact CD-CD1 4.47Å; K40-I69 HydrophobicContact CG-CD1 3.76Å; K40-I69 HydrophobicContact CG-CG1 4.14Å; K40-D73 VanDerWaalsContact CE-CG 3.49Å; K40-D73 WeakPolarHBondContact CE-OD1 3.01Å; K40-D73 WeakPolarHBondContact CE-OD2 3.11Å; K40-D73 IonicContact NZ-OD1 3.2Å; K40-D73 PolarHBondContact NZ-OD1 3.37Å; K40-D73 IonicContact NZ-OD2 2.73Å; K40-D73 PolarHBondContact NZ-OD2 2.99Å
41K92.5Very high94.9Very high213 Ų21348.5 Ų48.593%0.92625%0.25SC*.Hα-helixtrans-55.5-35.9-178.9-177.8177.3178.3-179.60113.7L39L39-K41 PolarHBondContact O-N 3.35Å
42S91.1Very high95Very high54 Ų5447.5 Ų47.538%0.37824%0.242SC..Hα-helixtrans-114.3-10.8-178.156.70000113.4L39 K40 D44 K45 W46L39-S42 PolarHBondContact O-N 3.39Å; L39-S42 VanDerWaalsContact O-N 3.07Å; K40-S42 PolarHBondContact O-N 2.99Å; S42-D44 PolarHBondContact O-N 3.44Å; S42-K45 PolarHBondContact O-N 3.18Å; S42-W46 PolarHBondContact O-N 3.05Å
43W94.7Very high95Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-52-57.7-171176.1-103000113.2P38 L39 K40 K45 W46 Q47 V52 I55 I69 Q77 I79 Y116P38-W43 HydrophobicContact CB-CD2 4.24Å; P38-W43 HydrophobicContact CB-CE3 3.29Å; P38-W43 HydrophobicContact CB-CH2 4.36Å; P38-W43 HydrophobicContact CB-CZ3 3.35Å; L39-W43 WeakPolarHBondContact O-CB 3.06Å; L39-W43 PolarHBondContact O-N 3.27Å; K40-W43 PolarHBondContact O-N 2.73Å; W43-K45 PolarHBondContact O-N 2.62Å; W43-K45 VanDerWaalsContact O-N 3.11Å; W43-W46 HydrophobicContact CD2-CZ2 4.34Å; W43-W46 AromaticContact CE3-CE2 3.58Å; W43-W46 AromaticContact CE3-CH2 3.74Å; W43-W46 HydrophobicContact CE3-CH2 3.74Å; W43-W46 AromaticContact CE3-CZ2 3.13Å; W43-W46 HydrophobicContact CE3-CZ2 3.13Å; W43-W46 AromaticContact CE3-NE1 3.98Å; W43-W46 HydrophobicContact CH2-CH2 4.01Å; W43-W46 HydrophobicContact CH2-CZ2 4.26Å; W43-W46 AromaticContact CZ3-CE2 3.94Å; W43-W46 AromaticContact CZ3-CH2 3.18Å; W43-W46 HydrophobicContact CZ3-CH2 3.18Å; W43-W46 AromaticContact CZ3-CZ2 3.09Å; W43-W46 HydrophobicContact CZ3-CZ2 3.09Å; W43-W46 HydrophobicContact CZ3-CZ3 4.11Å; W43-W46 PolarHBondContact O-N 2.82Å; W43-Q47 HydrophobicContact CD2-CB 4.04Å; W43-Q47 HydrophobicContact CD2-CG 4.47Å; W43-Q47 HydrophobicContact CG-CB 4.38Å; W43-Q47 HydrophobicContact CH2-CG 4.38Å; W43-Q47 HydrophobicContact CZ2-CB 3.93Å; W43-Q47 HydrophobicContact CZ2-CG 3.54Å; W43-Q47 WeakPolarHBondContact O-CB 3.49Å; W43-Q47 PolarHBondContact O-N 3.29Å; W43-V52 HydrophobicContact CH2-CG1 4.1Å; W43-I55 HydrophobicContact CH2-CD1 3.4Å; W43-I55 HydrophobicContact CH2-CG1 3.83Å; W43-I55 HydrophobicContact CZ2-CD1 3.45Å; W43-I55 VanDerWaalsContact CZ2-CD1 3.45Å; W43-I55 HydrophobicContact CZ2-CG1 4.19Å; W43-I55 HydrophobicContact CZ3-CD1 4.37Å; W43-I69 HydrophobicContact CB-CD1 4.01Å; W43-I69 HydrophobicContact CB-CG1 3.83Å; W43-I69 VanDerWaalsContact CD1-CD1 3.42Å; W43-I69 HydrophobicContact CD2-CB 4.48Å; W43-I69 HydrophobicContact CD2-CD1 4.27Å; W43-I69 HydrophobicContact CD2-CG1 3.66Å; W43-I69 HydrophobicContact CE3-CG1 4.2Å; W43-I69 HydrophobicContact CG-CD1 3.63Å; W43-I69 HydrophobicContact CG-CG1 3.43Å; W43-I69 VanDerWaalsContact CG-CG1 3.43Å; W43-Q77 VanDerWaalsContact CD1-OE1 3.26Å; W43-I79 HydrophobicContact CZ2-CD1 3.73Å; W43-Y116 HydrophobicContact CH2-CD1 4.24Å; W43-Y116 AromaticContact CZ3-CD1 3.92Å; W43-Y116 HydrophobicContact CZ3-CD1 3.92Å; W43-Y116 HydrophobicContact CZ3-CE1 4.19Å
44D93.5Very high95Very high95 Ų9549.3 Ų49.351%0.50825%0.254SS..Hα-helixtrans-56.7-37.8-171.3-58.5-24.2000112.7S42 A48 Q77S42-D44 PolarHBondContact O-N 3.44Å; D44-A48 WeakPolarHBondContact O-CB 3.38Å; D44-A48 PolarHBondContact O-N 3.45Å; D44-Q77 PolarHBondContact OD1-NE2 3.43Å
45K93.3Very high95.1Very high158 Ų15849.3 Ų49.369%0.68725%0.254SS*.Hα-helixtrans-65.1-57.2178.3-179.6175.8178.5177.20111.5S42 W43 A48 D49S42-K45 PolarHBondContact O-N 3.18Å; W43-K45 PolarHBondContact O-N 2.62Å; W43-K45 VanDerWaalsContact O-N 3.11Å; K45-A48 PolarHBondContact O-N 3.06Å; K45-D49 VanDerWaalsContact O-CG 3.24Å; K45-D49 PolarHBondContact O-N 3.19Å
46W93.8Very high95.2Very high18 Ų1849.3 Ų49.37%0.06825%0.254CS..Hα-helixtrans-79.1-26.3-173.174.6-101.6000112.5Y25 S42 W43 A48 D49 E50 V52 Y116Y25-W46 HydrophobicContact CD1-CE3 4.39Å; Y25-W46 HydrophobicContact CD1-CZ3 4.45Å; Y25-W46 AromaticContact CE1-CD2 4Å; Y25-W46 HydrophobicContact CE1-CD2 4Å; Y25-W46 AromaticContact CE1-CE3 3.96Å; Y25-W46 HydrophobicContact CE1-CE3 3.96Å; Y25-W46 HydrophobicContact CE1-CG 4.25Å; Y25-W46 HydrophobicContact CE1-CZ3 4.44Å; S42-W46 PolarHBondContact O-N 3.05Å; W43-W46 HydrophobicContact CD2-CZ2 4.34Å; W43-W46 AromaticContact CE3-CE2 3.58Å; W43-W46 AromaticContact CE3-CH2 3.74Å; W43-W46 HydrophobicContact CE3-CH2 3.74Å; W43-W46 AromaticContact CE3-CZ2 3.13Å; W43-W46 HydrophobicContact CE3-CZ2 3.13Å; W43-W46 AromaticContact CE3-NE1 3.98Å; W43-W46 HydrophobicContact CH2-CH2 4.01Å; W43-W46 HydrophobicContact CH2-CZ2 4.26Å; W43-W46 AromaticContact CZ3-CE2 3.94Å; W43-W46 AromaticContact CZ3-CH2 3.18Å; W43-W46 HydrophobicContact CZ3-CH2 3.18Å; W43-W46 AromaticContact CZ3-CZ2 3.09Å; W43-W46 HydrophobicContact CZ3-CZ2 3.09Å; W43-W46 HydrophobicContact CZ3-CZ3 4.11Å; W43-W46 PolarHBondContact O-N 2.82Å; W46-A48 VanDerWaalsContact C-N 3.26Å; W46-A48 PolarHBondContact O-N 3.07Å; W46-D49 PolarHBondContact O-N 3.07Å; W46-E50 HydrophobicContact CE3-CB 4.4Å; W46-E50 HydrophobicContact CE3-CG 4.06Å; W46-E50 VanDerWaalsContact O-CB 3.24Å; W46-E50 WeakPolarHBondContact O-CB 3.37Å; W46-E50 VanDerWaalsContact O-CG 3.29Å; W46-E50 WeakPolarHBondContact O-CG 3.17Å; W46-E50 PolarHBondContact O-N 2.9Å; W46-V52 HydrophobicContact CZ3-CG2 3.89Å; W46-Y116 AromaticContact CH2-CD1 3.83Å; W46-Y116 HydrophobicContact CH2-CD1 3.83Å; W46-Y116 AromaticContact CH2-CD2 3.79Å; W46-Y116 HydrophobicContact CH2-CD2 3.79Å; W46-Y116 AromaticContact CH2-CE1 3.72Å; W46-Y116 HydrophobicContact CH2-CE1 3.72Å; W46-Y116 AromaticContact CH2-CE2 3.68Å; W46-Y116 HydrophobicContact CH2-CE2 3.68Å; W46-Y116 AromaticContact CH2-CG 3.85Å; W46-Y116 HydrophobicContact CH2-CG 3.85Å; W46-Y116 AromaticContact CH2-CZ 3.61Å; W46-Y116 HydrophobicContact CZ2-CE1 4.12Å; W46-Y116 HydrophobicContact CZ3-CD2 4.22Å; W46-Y116 HydrophobicContact CZ3-CE2 4.31Å; W46-Y116 HydrophobicContact CZ3-CG 4.46Å
47Q95.1Very high95.3Very high39 Ų3949.1 Ų49.118%0.18225%0.252CS..Hα-helixtrans-57.4-43.8170.1178.3-75.6-38.300110.1W43 N51 V52 I79W43-Q47 HydrophobicContact CD2-CB 4.04Å; W43-Q47 HydrophobicContact CD2-CG 4.47Å; W43-Q47 HydrophobicContact CG-CB 4.38Å; W43-Q47 HydrophobicContact CH2-CG 4.38Å; W43-Q47 HydrophobicContact CZ2-CB 3.93Å; W43-Q47 HydrophobicContact CZ2-CG 3.54Å; W43-Q47 WeakPolarHBondContact O-CB 3.49Å; W43-Q47 PolarHBondContact O-N 3.29Å; Q47-N51 WeakPolarHBondContact O-CA 3.48Å; Q47-N51 PolarHBondContact O-N 3.29Å; Q47-V52 HydrophobicContact CG-CB 4.19Å; Q47-V52 PolarHBondContact NE2-O 3.34Å; Q47-V52 PolarHBondContact O-N 3.2Å; Q47-I79 HydrophobicContact CG-CD1 3.67Å
48A94.5Very high95.4Very high64 Ų6449.1 Ų49.153%0.52925%0.252SS..Hα-helixtrans-69.3-47.7175.500000112.1D44 K45 W46 E50 N51D44-A48 WeakPolarHBondContact O-CB 3.38Å; D44-A48 PolarHBondContact O-N 3.45Å; K45-A48 PolarHBondContact O-N 3.06Å; W46-A48 VanDerWaalsContact C-N 3.26Å; W46-A48 PolarHBondContact O-N 3.07Å; A48-E50 PolarHBondContact O-N 3.41Å; A48-N51 PolarHBondContact O-N 2.95Å
49D94.4Very high95.4Very high115 Ų11549.1 Ų49.162%0.61525%0.252SS*.Hα-helixtrans-58.1-37.4179-66.6-23.5000112K45 W46K45-D49 VanDerWaalsContact O-CG 3.24Å; K45-D49 PolarHBondContact O-N 3.19Å; W46-D49 PolarHBondContact O-N 3.07Å
50E95Very high95.4Very high36 Ų3649.7 Ų49.717%0.16825%0.254CS..Hα-helixtrans-94.2-6.8-177.7-63.3-74.1153.800113.4Y25 R27 I33 W46 A48 V52Y25-E50 HydrophobicContact CE2-CG 4.25Å; Y25-E50 PolarHBondContact OH-OE1 2.82Å; R27-E50 IonicContact CZ-OE2 3.72Å; R27-E50 IonicContact NE-OE2 2.7Å; R27-E50 PolarHBondContact NE-OE2 2.81Å; R27-E50 PolarHBondContact NH2-O 3.48Å; R27-E50 IonicContact NH2-OE2 3.66Å; R27-E50 PolarHBondContact NH2-OE2 2.93Å; I33-E50 HydrophobicContact CD1-CB 3.74Å; I33-E50 HydrophobicContact CD1-CG 4.02Å; I33-E50 WeakPolarHBondContact CD1-OE2 3.4Å; W46-E50 HydrophobicContact CE3-CB 4.4Å; W46-E50 HydrophobicContact CE3-CG 4.06Å; W46-E50 VanDerWaalsContact O-CB 3.24Å; W46-E50 WeakPolarHBondContact O-CB 3.37Å; W46-E50 VanDerWaalsContact O-CG 3.29Å; W46-E50 WeakPolarHBondContact O-CG 3.17Å; W46-E50 PolarHBondContact O-N 2.9Å; A48-E50 PolarHBondContact O-N 3.41Å; E50-V52 HydrophobicContact CB-CG2 3.99Å
51N95.2Very high95.4Very high98 Ų9851 Ų5152%0.52427%0.27SS..THydrogen-bonded Turntrans52.149.2-174.2-171.335.8000113.5Q47 A48 T53 C114Q47-N51 WeakPolarHBondContact O-CA 3.48Å; Q47-N51 PolarHBondContact O-N 3.29Å; A48-N51 PolarHBondContact O-N 2.95Å; N51-T53 PolarHBondContact O-N 3.46Å; N51-C114 VanDerWaalsContact O-CB 3.25Å; N51-C114 WeakPolarHBondContact O-CB 3Å
52V97.7Very high95.3Very high0 Ų045.1 Ų45.10%024%0.244CC..EExtended strand (participates in β ladder)trans-73.7116.9-179.7178.10000110.2I33 W43 W46 Q47 E50 H54 I55I33-V52 HydrophobicContact CD1-CG2 4.18Å; W43-V52 HydrophobicContact CH2-CG1 4.1Å; W46-V52 HydrophobicContact CZ3-CG2 3.89Å; Q47-V52 HydrophobicContact CG-CB 4.19Å; Q47-V52 PolarHBondContact NE2-O 3.34Å; Q47-V52 PolarHBondContact O-N 3.2Å; E50-V52 HydrophobicContact CB-CG2 3.99Å; V52-H54 WeakPolarHBondContact CG1-O 3.45Å; V52-I55 HydrophobicContact CG1-CG1 4.3Å
53T97.7Very high95.3Very high41 Ų4142.5 Ų42.525%0.25223%0.226SC..EExtended strand (participates in β ladder)trans-107.8-16.8-18057.30000113.1N51 I79 K80 G113 C114N51-T53 PolarHBondContact O-N 3.46Å; T53-I79 WeakPolarHBondContact O-CG2 3.41Å; T53-K80 PolarHBondContact O-N 3.46Å; T53-G113 VanDerWaalsContact OG1-CA 3.29Å; T53-G113 WeakPolarHBondContact OG1-CA 3.45Å; T53-C114 PolarHBondContact N-O 3.23Å; T53-C114 PolarHBondContact OG1-N 2.92Å; T53-C114 PolarHBondContact OG1-O 3.22Å
54H98.5Very high95.2Very high5 Ų544.7 Ų44.72%0.02324%0.24CC..EExtended strand (participates in β ladder)trans-135.6144-177.8-64.969.6000110.7V52 K80 F104 C108 C114 V115 Y116V52-H54 WeakPolarHBondContact CG1-O 3.45Å; H54-K80 CarbonylContact C-O 3.47Å; H54-K80 VanDerWaalsContact CA-O 3.28Å; H54-K80 WeakPolarHBondContact CA-O 3.18Å; H54-K80 VanDerWaalsContact NE2-CD 3.3Å; H54-K80 WeakPolarHBondContact NE2-CD 3.3Å; H54-K80 WeakPolarHBondContact NE2-CE 3.49Å; H54-K80 PolarHBondContact NE2-NZ 3.26Å; H54-K80 VanDerWaalsContact NE2-NZ 3.18Å; H54-F104 HydrophobicContact CB-CE1 3.69Å; H54-F104 HydrophobicContact CB-CZ 3.92Å; H54-F104 AromaticContact CD2-CZ 3.71Å; H54-C108 HydrophobicContact CB-CB 4.03Å; H54-C108 PolarHBondContact ND1-SG 3.15Å; H54-C114 PolarHBondContact N-O 2.92Å; H54-V115 HydrophobicContact CB-CB 3.91Å; H54-V115 HydrophobicContact CB-CG2 3.89Å; H54-V115 CarbonylContact O-C 3.59Å; H54-V115 VanDerWaalsContact O-CA 3.3Å; H54-V115 WeakPolarHBondContact O-CA 3.35Å; H54-Y116 PolarHBondContact O-N 3.31Å
55I98.4Very high95.1Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-126.9130.9175.3-61.8172.1000109.4W43 V52 I69 A74 I79 K80 Y81 L82 F104 Y116W43-I55 HydrophobicContact CH2-CD1 3.4Å; W43-I55 HydrophobicContact CH2-CG1 3.83Å; W43-I55 HydrophobicContact CZ2-CD1 3.45Å; W43-I55 VanDerWaalsContact CZ2-CD1 3.45Å; W43-I55 HydrophobicContact CZ2-CG1 4.19Å; W43-I55 HydrophobicContact CZ3-CD1 4.37Å; V52-I55 HydrophobicContact CG1-CG1 4.3Å; I55-I69 HydrophobicContact CD1-CG2 4.01Å; I55-A74 HydrophobicContact CD1-CB 4.09Å; I55-I79 HydrophobicContact CD1-CG2 3.83Å; I55-I79 HydrophobicContact CG1-CG2 3.73Å; I55-K80 PolarHBondContact N-O 3.47Å; I55-Y81 HydrophobicContact CB-CD2 3.79Å; I55-Y81 HydrophobicContact CB-CE2 4.26Å; I55-Y81 HydrophobicContact CD1-CD2 4.24Å; I55-Y81 HydrophobicContact CG2-CD2 3.8Å; I55-Y81 HydrophobicContact CG2-CE2 3.73Å; I55-Y81 WeakPolarHBondContact O-CA 3.27Å; I55-L82 PolarHBondContact O-N 2.87Å; I55-F104 WeakPolarHBondContact O-CE1 3.27Å; I55-Y116 CarbonylContact C-O 3.47Å; I55-Y116 WeakPolarHBondContact CA-O 3.45Å
56V98.5Very high95.1Very high0 Ų039.4 Ų39.40%023%0.225CC..EExtended strand (participates in β ladder)trans-111.3114.1166.4-175.30000108.6L58 L82 L84 F104 V115 Y116 I117 H118 L129V56-L58 HydrophobicContact CG1-CD1 4.08Å; V56-L82 WeakPolarHBondContact CA-O 3.32Å; V56-L82 HydrophobicContact CG1-CD2 4.35Å; V56-L82 HydrophobicContact CG2-CB 4.49Å; V56-L82 HydrophobicContact CG2-CD2 4.49Å; V56-L84 HydrophobicContact CG1-CD1 3.95Å; V56-F104 HydrophobicContact CG2-CD1 3.35Å; V56-F104 HydrophobicContact CG2-CE1 3.6Å; V56-F104 HydrophobicContact CG2-CG 4.44Å; V56-V115 HydrophobicContact CG2-CG2 3.83Å; V56-Y116 PolarHBondContact N-O 3.27Å; V56-I117 HydrophobicContact CB-CB 4.5Å; V56-I117 HydrophobicContact CB-CG1 4.31Å; V56-I117 HydrophobicContact CB-CG2 4.22Å; V56-I117 HydrophobicContact CG1-CG2 4.44Å; V56-I117 HydrophobicContact CG2-CG1 4.48Å; V56-I117 WeakPolarHBondContact O-CA 3.25Å; V56-H118 PolarHBondContact O-N 3.02Å; V56-L129 HydrophobicContact CG1-CD2 3.65Å
57S98.1Very high95Very high0 Ų041.6 Ų41.60%024%0.235CC..EExtended strand (participates in β ladder)trans-105120.9-179.7-177.30000110.5L59 Y81 L82 L84 H118S57-L59 VanDerWaalsContact C-N 3.3Å; S57-L59 PolarHBondContact OG-N 2.85Å; S57-Y81 VanDerWaalsContact CB-CZ 3.49Å; S57-Y81 WeakPolarHBondContact CB-OH 3.26Å; S57-Y81 PolarHBondContact OG-OH 3.04Å; S57-Y81 VanDerWaalsContact OG-OH 3.12Å; S57-L82 PolarHBondContact N-O 3.23Å; S57-L84 PolarHBondContact O-N 2.9Å; S57-H118 WeakPolarHBondContact CB-NE2 3.26Å; S57-H118 PolarHBondContact OG-CE1 3.13Å; S57-H118 VanDerWaalsContact OG-CE1 3.23Å; S57-H118 PolarHBondContact OG-NE2 2.78Å
58L97.7Very high95.1Very high0 Ų039.8 Ų39.80%023%0.227CC..  trans-9618.6173.1-68.391.4000113.2V56 L84 V86 P93 I117 H118 C119 R125 L129V56-L58 HydrophobicContact CG1-CD1 4.08Å; L58-L84 VanDerWaalsContact CA-O 3.27Å; L58-L84 WeakPolarHBondContact CA-O 3.49Å; L58-L84 HydrophobicContact CG-CB 4.47Å; L58-V86 HydrophobicContact CD2-CG2 4.23Å; L58-V86 PolarHBondContact O-N 2.92Å; L58-P93 HydrophobicContact CD2-CG 4.04Å; L58-I117 HydrophobicContact CD1-CG2 3.83Å; L58-H118 WeakPolarHBondContact CD1-O 3.38Å; L58-H118 PolarHBondContact N-O 3.3Å; L58-C119 HydrophobicContact CB-CB 4.24Å; L58-R125 HydrophobicContact CB-CB 3.94Å; L58-R125 HydrophobicContact CD2-CB 4.05Å; L58-R125 WeakPolarHBondContact CD2-O 3.45Å; L58-R125 PolarHBondContact O-NH1 3.44Å; L58-L129 HydrophobicContact CD1-CD2 4.07Å; L58-L129 HydrophobicContact CD2-CB 4.2Å
59L95.9Very high95.1Very high0 Ų037 Ų370%020%0.203CC..  trans-77.8143.8178.7-65.1-178.8000111.2L37 S57 E63 V64 V68 P85 K120L37-L59 HydrophobicContact CD2-CD1 3.48Å; L37-L59 VanDerWaalsContact CD2-CD1 3.48Å; L37-L59 HydrophobicContact CD2-CD2 3.91Å; L37-L59 HydrophobicContact CD2-CG 4.32Å; S57-L59 VanDerWaalsContact C-N 3.3Å; S57-L59 PolarHBondContact OG-N 2.85Å; L59-E63 WeakPolarHBondContact CA-OE2 3.49Å; L59-E63 HydrophobicContact CB-CB 4.09Å; L59-E63 HydrophobicContact CD2-CB 4.05Å; L59-E63 HydrophobicContact CG-CB 4.45Å; L59-V64 HydrophobicContact CB-CG2 4.08Å; L59-V64 HydrophobicContact CD1-CG2 4.22Å; L59-V68 HydrophobicContact CD1-CG1 4.19Å; L59-P85 WeakPolarHBondContact O-CA 3.28Å; L59-K120 HydrophobicContact CD2-CB 4.13Å
60E94.6Very high95.2Very high38 Ų3831.7 Ų31.718%0.17818%0.176CC..  trans-70.5150.5163.4-65.8178.999.200109.4F62 E63 R87E60-F62 HydrophobicContact CB-CD1 3.68Å; E60-F62 HydrophobicContact CB-CE1 3.39Å; E60-F62 HydrophobicContact CB-CZ 4.15Å; E60-F62 VanDerWaalsContact CD-CE1 3.43Å; E60-F62 HydrophobicContact CG-CE1 4.01Å; E60-F62 PolarHBondContact O-N 3.34Å; E60-F62 WeakPolarHBondContact OE2-CE1 3.39Å; E60-F62 WeakPolarHBondContact OE2-CZ 3.44Å; E60-E63 HydrophobicContact CB-CG 4.38Å; E60-E63 PolarHBondContact N-OE2 3.13Å; E60-E63 WeakPolarHBondContact O-CB 3.32Å; E60-E63 PolarHBondContact O-N 2.79Å; E60-R87 WeakPolarHBondContact OE2-CA 3.29Å
61P92.7Very high95.3Very high98 Ų9835.5 Ų35.564%0.63619%0.194SC*.G310 helixtrans-52.3-35.4-175.9-30.635.9000114.7E63 V64P61-E63 VanDerWaalsContact C-N 3.27Å; P61-E63 PolarHBondContact O-N 3.31Å; P61-V64 PolarHBondContact O-N 2.84Å
62F90.6Very high95.3Very high88 Ų8839.1 Ų39.139%0.38621%0.205SC..G310 helixtrans-71.9-17.2178.674.7-94.6000114.1E60 K65E60-F62 HydrophobicContact CB-CD1 3.68Å; E60-F62 HydrophobicContact CB-CE1 3.39Å; E60-F62 HydrophobicContact CB-CZ 4.15Å; E60-F62 VanDerWaalsContact CD-CE1 3.43Å; E60-F62 HydrophobicContact CG-CE1 4.01Å; E60-F62 PolarHBondContact O-N 3.34Å; E60-F62 WeakPolarHBondContact OE2-CE1 3.39Å; E60-F62 WeakPolarHBondContact OE2-CZ 3.44Å; F62-K65 WeakPolarHBondContact O-CE 3.26Å
63E90.6Very high95.2Very high0 Ų041.2 Ų41.20%022%0.216CC..G310 helixtrans-83.5-16.4175.8-63.8-177.5106.800112.1F6 L59 E60 P61 K65 R125F6-E63 HydrophobicContact CD2-CB 4.38Å; F6-E63 HydrophobicContact CD2-CG 4.03Å; F6-E63 HydrophobicContact CE2-CB 3.71Å; F6-E63 HydrophobicContact CE2-CG 3.83Å; F6-E63 HydrophobicContact CZ-CB 4.32Å; F6-E63 WeakPolarHBondContact CZ-O 3.34Å; L59-E63 WeakPolarHBondContact CA-OE2 3.49Å; L59-E63 HydrophobicContact CB-CB 4.09Å; L59-E63 HydrophobicContact CD2-CB 4.05Å; L59-E63 HydrophobicContact CG-CB 4.45Å; E60-E63 HydrophobicContact CB-CG 4.38Å; E60-E63 PolarHBondContact N-OE2 3.13Å; E60-E63 WeakPolarHBondContact O-CB 3.32Å; E60-E63 PolarHBondContact O-N 2.79Å; P61-E63 VanDerWaalsContact C-N 3.27Å; P61-E63 PolarHBondContact O-N 3.31Å; E63-K65 PolarHBondContact O-N 2.87Å; E63-R125 IonicContact OE1-CZ 2.62Å; E63-R125 IonicContact OE1-NH1 2.79Å; E63-R125 IonicContact OE1-NH2 3.01Å; E63-R125 PolarHBondContact OE1-NH2 3.03Å; E63-R125 IonicContact OE2-CZ 3.63Å; E63-R125 IonicContact OE2-NH1 2.89Å; E63-R125 PolarHBondContact OE2-NH1 3.12Å; E63-R125 IonicContact OE2-NH2 2.75Å; E63-R125 PolarHBondContact OE2-NH2 2.87Å
64V93.4Very high95.2Very high46 Ų4639.3 Ų39.328%0.27920%0.204SC..  trans-7974.7175-169.90000109L59 P61L59-V64 HydrophobicContact CB-CG2 4.08Å; L59-V64 HydrophobicContact CD1-CG2 4.22Å; P61-V64 PolarHBondContact O-N 2.84Å
65K92Very high95.1Very high37 Ų3743.3 Ų43.316%0.16123%0.229CC..  trans-73.4164.2179.2-60.4-64.3-176.9175.90111.3E3 F6 F62 E63 F67 V68E3-K65 IonicContact OE1-NZ 3.37Å; E3-K65 PolarHBondContact OE1-NZ 2.81Å; F6-K65 HydrophobicContact CD1-CG 4.38Å; F6-K65 HydrophobicContact CE1-CG 3.67Å; F6-K65 HydrophobicContact CZ-CG 4.2Å; F62-K65 WeakPolarHBondContact O-CE 3.26Å; E63-K65 PolarHBondContact O-N 2.87Å; K65-F67 HydrophobicContact CB-CD1 3.75Å; K65-F67 HydrophobicContact CB-CE1 3.31Å; K65-F67 HydrophobicContact CB-CE2 4.26Å; K65-F67 HydrophobicContact CB-CG 4.4Å; K65-F67 HydrophobicContact CB-CZ 3.62Å; K65-F67 HydrophobicContact CG-CE1 3.82Å; K65-F67 HydrophobicContact CG-CZ 3.88Å; K65-F67 PolarHBondContact O-N 3.17Å; K65-V68 HydrophobicContact CB-CG2 4.37Å; K65-V68 WeakPolarHBondContact O-CB 3.4Å; K65-V68 PolarHBondContact O-N 2.93Å
66S92.7Very high95Very high104 Ų10450 Ų5073%0.72726%0.264SS*.THydrogen-bonded Turntrans-57.2-24.2-17857.50000115.1K40K40-S66 VanDerWaalsContact CD-O 3.24Å; K40-S66 WeakPolarHBondContact CD-O 3.35Å; K40-S66 WeakPolarHBondContact CE-O 3.37Å; K40-S66 PolarHBondContact NZ-O 3.36Å
67F92.8Very high94.8Very high65 Ų6553.6 Ų53.629%0.28528%0.281SS..THydrogen-bonded Turntrans-90.71.8176.859.2-96.6000114F6 Y7 L37 L39 K40 K65F6-F67 HydrophobicContact CE1-CZ 4.02Å; Y7-F67 AromaticContact CE1-CE1 3.73Å; Y7-F67 HydrophobicContact CE1-CE1 3.73Å; Y7-F67 AromaticContact CE1-CZ 3.97Å; Y7-F67 HydrophobicContact CE1-CZ 3.97Å; L37-F67 HydrophobicContact CD1-CE2 4.26Å; L39-F67 WeakPolarHBondContact CA-O 3.23Å; L39-F67 HydrophobicContact CD2-CD2 3.84Å; L39-F67 HydrophobicContact CD2-CE2 4.21Å; K40-F67 PolarHBondContact N-O 3.29Å; K65-F67 HydrophobicContact CB-CD1 3.75Å; K65-F67 HydrophobicContact CB-CE1 3.31Å; K65-F67 HydrophobicContact CB-CE2 4.26Å; K65-F67 HydrophobicContact CB-CG 4.4Å; K65-F67 HydrophobicContact CB-CZ 3.62Å; K65-F67 HydrophobicContact CG-CE1 3.82Å; K65-F67 HydrophobicContact CG-CZ 3.88Å; K65-F67 PolarHBondContact O-N 3.17Å
68V95.1Very high94.7Very high1 Ų156.9 Ų56.91%0.00632%0.315CS..BIsolated β-bridgetrans-107.7137.6176.9-176.40000108.4L37 P38 K40 L59 K65 G70L37-V68 HydrophobicContact CB-CG1 4.44Å; L37-V68 HydrophobicContact CB-CG2 4.24Å; L37-V68 HydrophobicContact CD1-CG2 3.97Å; L37-V68 HydrophobicContact CD2-CG1 4.09Å; L37-V68 HydrophobicContact CD2-CG2 4.07Å; L37-V68 HydrophobicContact CG-CG2 4.32Å; P38-V68 HydrophobicContact CG-CG1 3.95Å; P38-V68 WeakPolarHBondContact O-CA 3.43Å; K40-V68 WeakPolarHBondContact CE-O 3.24Å; L59-V68 HydrophobicContact CD1-CG1 4.19Å; K65-V68 HydrophobicContact CB-CG2 4.37Å; K65-V68 WeakPolarHBondContact O-CB 3.4Å; K65-V68 PolarHBondContact O-N 2.93Å; V68-G70 PolarHBondContact O-N 2.95Å; V68-G70 VanDerWaalsContact O-N 3.13Å
69I96Very high94.7Very high4 Ų457.2 Ų57.22%0.02132%0.317CS..  trans-63.6112.5171.2-62.2-73.5000108.5P38 K40 W43 I55 D73 A74P38-I69 HydrophobicContact CB-CB 3.94Å; P38-I69 HydrophobicContact CB-CG1 4.13Å; P38-I69 HydrophobicContact CG-CB 3.89Å; P38-I69 PolarHBondContact O-N 3.44Å; K40-I69 HydrophobicContact CB-CD1 4.47Å; K40-I69 HydrophobicContact CD-CD1 4.47Å; K40-I69 HydrophobicContact CG-CD1 3.76Å; K40-I69 HydrophobicContact CG-CG1 4.14Å; W43-I69 HydrophobicContact CB-CD1 4.01Å; W43-I69 HydrophobicContact CB-CG1 3.83Å; W43-I69 VanDerWaalsContact CD1-CD1 3.42Å; W43-I69 HydrophobicContact CD2-CB 4.48Å; W43-I69 HydrophobicContact CD2-CD1 4.27Å; W43-I69 HydrophobicContact CD2-CG1 3.66Å; W43-I69 HydrophobicContact CE3-CG1 4.2Å; W43-I69 HydrophobicContact CG-CD1 3.63Å; W43-I69 HydrophobicContact CG-CG1 3.43Å; W43-I69 VanDerWaalsContact CG-CG1 3.43Å; I55-I69 HydrophobicContact CD1-CG2 4.01Å; I69-D73 HydrophobicContact CD1-CB 3.99Å; I69-D73 HydrophobicContact CG2-CB 4.02Å; I69-A74 HydrophobicContact CG2-CB 4.3Å
70G95.9Very high94.8Very high5 Ų562.4 Ų62.45%0.05234%0.339CS..  trans-97.1-176.4171.100000112V68 K72 D73 A74V68-G70 PolarHBondContact O-N 2.95Å; V68-G70 VanDerWaalsContact O-N 3.13Å; G70-K72 VanDerWaalsContact C-N 3.34Å; G70-K72 PolarHBondContact O-N 3.15Å; G70-D73 PolarHBondContact N-OD2 3.46Å; G70-D73 PolarHBondContact O-N 2.89Å; G70-A74 PolarHBondContact O-N 3.14Å
71E96.7Very high94.9Very high115 Ų11562 Ų6254%0.53734%0.336SS..Hα-helixtrans-54.8-45.9178.7-175.9176.6-175.100112.8D73 A74 V75 Y81E71-D73 VanDerWaalsContact C-N 3.34Å; E71-D73 PolarHBondContact O-N 3.4Å; E71-A74 PolarHBondContact O-N 3.43Å; E71-V75 HydrophobicContact CG-CG2 4.37Å; E71-V75 WeakPolarHBondContact O-CB 3.34Å; E71-V75 VanDerWaalsContact O-CG2 3.28Å; E71-V75 WeakPolarHBondContact O-CG2 3.32Å; E71-V75 PolarHBondContact O-N 3.22Å; E71-Y81 HydrophobicContact CB-CD1 3.6Å; E71-Y81 HydrophobicContact CB-CE1 3.78Å; E71-Y81 HydrophobicContact CB-CG 4.09Å; E71-Y81 HydrophobicContact CG-CD1 3.8Å; E71-Y81 HydrophobicContact CG-CE1 4.43Å; E71-Y81 HydrophobicContact CG-CG 4.24Å
72K96Very high95.2Very high175 Ų17559.1 Ų59.176%0.76132%0.316SS*.Hα-helixtrans-61.1-42.4178.9-66.5-173.9178.6-177.20112.5G70 N76G70-K72 VanDerWaalsContact C-N 3.34Å; G70-K72 PolarHBondContact O-N 3.15Å; K72-N76 WeakPolarHBondContact O-CB 3.36Å; K72-N76 PolarHBondContact O-N 2.79Å; K72-N76 PolarHBondContact O-ND2 2.94Å; K72-N76 PolarHBondContact O-OD1 2.99Å
73D96.1Very high95.6Very high44 Ų4457.2 Ų57.224%0.23531%0.313CS..Hα-helixtrans-65.6-44.7178.6-57.8-68.1000110.5K40 I69 G70 E71 N76 Q77K40-D73 VanDerWaalsContact CE-CG 3.49Å; K40-D73 WeakPolarHBondContact CE-OD1 3.01Å; K40-D73 WeakPolarHBondContact CE-OD2 3.11Å; K40-D73 IonicContact NZ-OD1 3.2Å; K40-D73 PolarHBondContact NZ-OD1 3.37Å; K40-D73 IonicContact NZ-OD2 2.73Å; K40-D73 PolarHBondContact NZ-OD2 2.99Å; I69-D73 HydrophobicContact CD1-CB 3.99Å; I69-D73 HydrophobicContact CG2-CB 4.02Å; G70-D73 PolarHBondContact N-OD2 3.46Å; G70-D73 PolarHBondContact O-N 2.89Å; E71-D73 VanDerWaalsContact C-N 3.34Å; E71-D73 PolarHBondContact O-N 3.4Å; D73-N76 PolarHBondContact O-N 3.34Å; D73-Q77 WeakPolarHBondContact O-CG 3.45Å; D73-Q77 PolarHBondContact O-N 2.79Å
74A96.5Very high95.9Very high0 Ų057.8 Ų57.80%032%0.316CS..Hα-helixtrans-62.1-47.9178.200000112I55 I69 G70 E71 N76 Q77 G78 I79 Y81I55-A74 HydrophobicContact CD1-CB 4.09Å; I69-A74 HydrophobicContact CG2-CB 4.3Å; G70-A74 PolarHBondContact O-N 3.14Å; E71-A74 PolarHBondContact O-N 3.43Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 3.47Å; A74-Q77 CarbonylContact O-C 3.42Å; A74-Q77 WeakPolarHBondContact O-CA 3.45Å; A74-Q77 PolarHBondContact O-N 2.8Å; A74-G78 PolarHBondContact O-N 3Å; A74-I79 CarbonylContact C-O 3.55Å; A74-I79 HydrophobicContact CB-CB 4.11Å; A74-I79 HydrophobicContact CB-CG2 4.31Å; A74-I79 WeakPolarHBondContact O-CB 3.48Å; A74-I79 PolarHBondContact O-N 3.06Å; A74-Y81 HydrophobicContact CB-CD2 3.7Å; A74-Y81 HydrophobicContact CB-CG 4.21Å
75V96.3Very high96Very high89 Ų8958.3 Ų58.354%0.53932%0.321SS..Hα-helixtrans-60.9-41.6178.11710000111.2E71 Q77 G78E71-V75 HydrophobicContact CG-CG2 4.37Å; E71-V75 WeakPolarHBondContact O-CB 3.34Å; E71-V75 VanDerWaalsContact O-CG2 3.28Å; E71-V75 WeakPolarHBondContact O-CG2 3.32Å; E71-V75 PolarHBondContact O-N 3.22Å; V75-Q77 PolarHBondContact O-N 3.47Å; V75-G78 PolarHBondContact O-N 2.82Å
76N96.4Very high96.1Very high140 Ų14056.8 Ų56.875%0.74932%0.315SS*.Hα-helixtrans-63.2-25.4175.9-71.7-14.3000113.1K72 D73 A74K72-N76 WeakPolarHBondContact O-CB 3.36Å; K72-N76 PolarHBondContact O-N 2.79Å; K72-N76 PolarHBondContact O-ND2 2.94Å; K72-N76 PolarHBondContact O-OD1 2.99Å; D73-N76 PolarHBondContact O-N 3.34Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 3.47Å
77Q94.8Very high95.9Very high77 Ų7759.5 Ų59.536%0.3631%0.309SS..THydrogen-bonded Turntrans-92.85.8175.9-66.6-177.7-7.900113.1W43 D44 D73 A74 V75 I79W43-Q77 VanDerWaalsContact CD1-OE1 3.26Å; D44-Q77 PolarHBondContact OD1-NE2 3.43Å; D73-Q77 WeakPolarHBondContact O-CG 3.45Å; D73-Q77 PolarHBondContact O-N 2.79Å; A74-Q77 CarbonylContact O-C 3.42Å; A74-Q77 WeakPolarHBondContact O-CA 3.45Å; A74-Q77 PolarHBondContact O-N 2.8Å; V75-Q77 PolarHBondContact O-N 3.47Å; Q77-I79 VanDerWaalsContact C-N 3.26Å; Q77-I79 HydrophobicContact CB-CD1 4.01Å; Q77-I79 HydrophobicContact CB-CG1 4.04Å; Q77-I79 PolarHBondContact O-N 2.89Å
78G95.8Very high95.5Very high69 Ų6957.5 Ų57.571%0.71130%0.301SS*.THydrogen-bonded Turntrans71.818.3-177.400000114.1A74 V75A74-G78 PolarHBondContact O-N 3Å; V75-G78 PolarHBondContact O-N 2.82Å
79I97.3Very high94.8Very high6 Ų662.4 Ų62.43%0.03132%0.323CS..  trans-95.5128.8-178.7-58.5178.6000108.8W43 Q47 T53 I55 A74 Q77W43-I79 HydrophobicContact CZ2-CD1 3.73Å; Q47-I79 HydrophobicContact CG-CD1 3.67Å; T53-I79 WeakPolarHBondContact O-CG2 3.41Å; I55-I79 HydrophobicContact CD1-CG2 3.83Å; I55-I79 HydrophobicContact CG1-CG2 3.73Å; A74-I79 CarbonylContact C-O 3.55Å; A74-I79 HydrophobicContact CB-CB 4.11Å; A74-I79 HydrophobicContact CB-CG2 4.31Å; A74-I79 WeakPolarHBondContact O-CB 3.48Å; A74-I79 PolarHBondContact O-N 3.06Å; Q77-I79 VanDerWaalsContact C-N 3.26Å; Q77-I79 HydrophobicContact CB-CD1 4.01Å; Q77-I79 HydrophobicContact CB-CG1 4.04Å; Q77-I79 PolarHBondContact O-N 2.89Å
80K98Very high94.3Very high109 Ų10965.9 Ų65.947%0.47434%0.344SS..EExtended strand (participates in β ladder)trans-71.4136.5175-57.3-162-155.5151.60109.6T53 H54 I55 F104T53-K80 PolarHBondContact O-N 3.46Å; H54-K80 CarbonylContact C-O 3.47Å; H54-K80 VanDerWaalsContact CA-O 3.28Å; H54-K80 WeakPolarHBondContact CA-O 3.18Å; H54-K80 VanDerWaalsContact NE2-CD 3.3Å; H54-K80 WeakPolarHBondContact NE2-CD 3.3Å; H54-K80 WeakPolarHBondContact NE2-CE 3.49Å; H54-K80 PolarHBondContact NE2-NZ 3.26Å; H54-K80 VanDerWaalsContact NE2-NZ 3.18Å; I55-K80 PolarHBondContact N-O 3.47Å; K80-F104 HydrophobicContact CB-CE2 4.05Å; K80-F104 HydrophobicContact CB-CZ 3.91Å
81Y98.2Very high93.8Very high29 Ų2966.1 Ų66.111%0.11435%0.346CS..EExtended strand (participates in β ladder)trans-127.5131.9-175.5-170.4-84.4000110.8I55 S57 E71 A74I55-Y81 HydrophobicContact CB-CD2 3.79Å; I55-Y81 HydrophobicContact CB-CE2 4.26Å; I55-Y81 HydrophobicContact CD1-CD2 4.24Å; I55-Y81 HydrophobicContact CG2-CD2 3.8Å; I55-Y81 HydrophobicContact CG2-CE2 3.73Å; I55-Y81 WeakPolarHBondContact O-CA 3.27Å; S57-Y81 VanDerWaalsContact CB-CZ 3.49Å; S57-Y81 WeakPolarHBondContact CB-OH 3.26Å; S57-Y81 PolarHBondContact OG-OH 3.04Å; S57-Y81 VanDerWaalsContact OG-OH 3.12Å; E71-Y81 HydrophobicContact CB-CD1 3.6Å; E71-Y81 HydrophobicContact CB-CE1 3.78Å; E71-Y81 HydrophobicContact CB-CG 4.09Å; E71-Y81 HydrophobicContact CG-CD1 3.8Å; E71-Y81 HydrophobicContact CG-CE1 4.43Å; E71-Y81 HydrophobicContact CG-CG 4.24Å; A74-Y81 HydrophobicContact CB-CD2 3.7Å; A74-Y81 HydrophobicContact CB-CG 4.21Å
82L98.3Very high93.5Very high38 Ų3863 Ų6320%0.19934%0.335CS..EExtended strand (participates in β ladder)trans-120.5121.2171178.669.8000109.5I55 V56 S57 L84 F104I55-L82 PolarHBondContact O-N 2.87Å; V56-L82 WeakPolarHBondContact CA-O 3.32Å; V56-L82 HydrophobicContact CG1-CD2 4.35Å; V56-L82 HydrophobicContact CG2-CB 4.49Å; V56-L82 HydrophobicContact CG2-CD2 4.49Å; S57-L82 PolarHBondContact N-O 3.23Å; L82-L84 HydrophobicContact CD1-CD2 4.28Å; L82-L84 HydrophobicContact CD2-CD1 3.84Å; L82-L84 HydrophobicContact CD2-CD2 4.12Å; L82-L84 HydrophobicContact CD2-CG 3.91Å; L82-L84 HydrophobicContact CG-CD1 4.43Å; L82-L84 HydrophobicContact CG-CD2 4.16Å; L82-L84 HydrophobicContact CG-CG 3.97Å; L82-F104 HydrophobicContact CB-CD1 4.02Å; L82-F104 HydrophobicContact CB-CD2 3.9Å; L82-F104 HydrophobicContact CB-CE1 3.98Å; L82-F104 HydrophobicContact CB-CE2 3.9Å; L82-F104 HydrophobicContact CB-CG 3.94Å; L82-F104 HydrophobicContact CB-CZ 3.93Å; L82-F104 HydrophobicContact CD2-CB 3.67Å; L82-F104 HydrophobicContact CD2-CD1 4.27Å; L82-F104 HydrophobicContact CD2-CD2 4.37Å; L82-F104 HydrophobicContact CD2-CG 3.88Å; L82-F104 HydrophobicContact CG-CG 4.49Å
83S97.9Very high93.5Very high48 Ų4854.9 Ų54.934%0.33630%0.3SS..EExtended strand (participates in β ladder)trans-96.2120.8172.8-163.10000110.5
84L97.4Very high93.4Very high12 Ų1256 Ų566%0.06331%0.309CS..  trans-123.779.2174.2-62.7176.6000109.6V56 S57 L58 L82 V86 Q97 A100 L129V56-L84 HydrophobicContact CG1-CD1 3.95Å; S57-L84 PolarHBondContact O-N 2.9Å; L58-L84 VanDerWaalsContact CA-O 3.27Å; L58-L84 WeakPolarHBondContact CA-O 3.49Å; L58-L84 HydrophobicContact CG-CB 4.47Å; L82-L84 HydrophobicContact CD1-CD2 4.28Å; L82-L84 HydrophobicContact CD2-CD1 3.84Å; L82-L84 HydrophobicContact CD2-CD2 4.12Å; L82-L84 HydrophobicContact CD2-CG 3.91Å; L82-L84 HydrophobicContact CG-CD1 4.43Å; L82-L84 HydrophobicContact CG-CD2 4.16Å; L82-L84 HydrophobicContact CG-CG 3.97Å; L84-V86 WeakPolarHBondContact O-CG2 3.02Å; L84-V86 PolarHBondContact O-N 3.43Å; L84-V86 VanDerWaalsContact O-N 3.15Å; L84-Q97 VanDerWaalsContact CD1-O 3.26Å; L84-Q97 WeakPolarHBondContact CD1-O 3.5Å; L84-Q97 HydrophobicContact CD2-CB 4.18Å; L84-Q97 HydrophobicContact CD2-CG 4.25Å; L84-A100 HydrophobicContact CD2-CB 4.24Å; L84-L129 HydrophobicContact CD1-CD2 4.13Å
85P96Very high93.4Very high58 Ų5859.6 Ų59.638%0.37733%0.325SS..  trans-58.6120.3-174.5-25.536000112.2L59 Q97L59-P85 WeakPolarHBondContact O-CA 3.28Å; P85-Q97 PolarHBondContact O-NE2 3.24Å
86V93.7Very high93.4Very high5 Ų561.8 Ų61.83%0.0333%0.329CS..  trans-132.8129.1176.6176.50000108.8L58 L84 D88 G91 P93 R125L58-V86 HydrophobicContact CD2-CG2 4.23Å; L58-V86 PolarHBondContact O-N 2.92Å; L84-V86 WeakPolarHBondContact O-CG2 3.02Å; L84-V86 PolarHBondContact O-N 3.43Å; L84-V86 VanDerWaalsContact O-N 3.15Å; V86-D88 PolarHBondContact O-N 2.91Å; V86-G91 VanDerWaalsContact CG1-C 3.47Å; V86-P93 HydrophobicContact CG2-CB 4.09Å; V86-P93 HydrophobicContact CG2-CG 3.99Å; V86-R125 HydrophobicContact CB-CG 4.34Å; V86-R125 HydrophobicContact CG1-CG 3.93Å; V86-R125 WeakPolarHBondContact O-CD 3.46Å; V86-R125 PolarHBondContact O-NH1 3.21Å
87R89Confident93.4Very high160 Ų16057 Ų5760%0.60430%0.302SS*.  trans-57.1133.5-177.4-177177.3-91.6-174.5-5.1112E60 V90 G91E60-R87 WeakPolarHBondContact OE2-CA 3.29Å; R87-V90 VanDerWaalsContact CD-CG2 3.41Å; R87-V90 HydrophobicContact CG-CG2 3.81Å; R87-G91 WeakPolarHBondContact O-CA 3.38Å; R87-G91 PolarHBondContact O-N 2.86Å
88D84.5Confident93.6Very high23 Ų2353.4 Ų53.412%0.12329%0.285CS..THydrogen-bonded Turntrans-65.8147.2180-156.726.6000112.7M1 V86 V90 R125M1-D88 HydrophobicContact CE-CB 3.93Å; M1-D88 WeakPolarHBondContact CE-OD2 3.5Å; V86-D88 PolarHBondContact O-N 2.91Å; D88-V90 PolarHBondContact O-N 2.98Å; D88-R125 IonicContact OD1-CZ 3.06Å; D88-R125 IonicContact OD1-NE 2.69Å; D88-R125 PolarHBondContact OD1-NE 3.45Å; D88-R125 IonicContact OD1-NH2 3.49Å; D88-R125 PolarHBondContact OD1-NH2 3.12Å; D88-R125 IonicContact OD2-NH2 2.83Å
89F80.5Confident93.7Very high105 Ų10553.4 Ų53.446%0.46127%0.269SS..THydrogen-bonded Turntrans62.3-33.3-177.4-63.4-65000118.7M1 H162M1-F89 HydrophobicContact CE-CD2 3.58Å; M1-F89 HydrophobicContact CE-CE2 3.16Å; M1-F89 HydrophobicContact CE-CZ 4.17Å; F89-H162 PolarHBondContact O-CE1 3.08Å
90V84.4Confident93.7Very high77 Ų7755 Ų5547%0.46728%0.283SS..THydrogen-bonded Turntrans-123.9-5.4-172.5-57.70000113.3R87 D88 M161R87-V90 VanDerWaalsContact CD-CG2 3.41Å; R87-V90 HydrophobicContact CG-CG2 3.81Å; D88-V90 PolarHBondContact O-N 2.98Å; V90-M161 HydrophobicContact CB-CE 4.11Å; V90-M161 HydrophobicContact CB-SD 4.26Å; V90-M161 WeakPolarHBondContact O-CE 3.44Å
91G85Confident93.7Very high10 Ų1049.9 Ų49.910%0.10326%0.261CS..  trans-83.1137.8177.700000111.9V86 R87V86-G91 VanDerWaalsContact CG1-C 3.47Å; R87-G91 WeakPolarHBondContact O-CA 3.38Å; R87-G91 PolarHBondContact O-N 2.86Å
92V92.2Very high93.7Very high48 Ų4848.8 Ų48.829%0.29126%0.257SS..  trans-114.7132.7164.1176.70000106.7F128V92-F128 HydrophobicContact CG1-CD2 4.41Å; V92-F128 HydrophobicContact CG1-CE1 3.92Å; V92-F128 HydrophobicContact CG1-CE2 3.6Å; V92-F128 HydrophobicContact CG1-CZ 3.33Å; V92-F128 HydrophobicContact CG2-CE2 4.49Å
93P94.3Very high93.7Very high6 Ų650.7 Ų50.74%0.03927%0.273CS..  trans-55.9141.9174.1-19.528.3000111.9L58 V86 Q97 I98 F128L58-P93 HydrophobicContact CD2-CG 4.04Å; V86-P93 HydrophobicContact CG2-CB 4.09Å; V86-P93 HydrophobicContact CG2-CG 3.99Å; P93-Q97 VanDerWaalsContact CA-OE1 3.29Å; P93-Q97 HydrophobicContact CB-CB 4.16Å; P93-I98 HydrophobicContact CB-CG1 3.93Å; P93-F128 VanDerWaalsContact CD-CD1 3.43Å; P93-F128 HydrophobicContact CG-CD1 3.61Å; P93-F128 HydrophobicContact CG-CE1 4.04Å; P93-F128 HydrophobicContact CG-CG 4.37Å
94T95.3Very high93.7Very high68 Ų6849.9 Ų49.942%0.41726%0.264SS..  trans-71.3165.1171.877.30000110.8E96 Q97 I98T94-E96 VanDerWaalsContact C-N 3.28Å; T94-E96 WeakPolarHBondContact CB-OE2 3.48Å; T94-E96 PolarHBondContact O-N 3.31Å; T94-E96 PolarHBondContact OG1-OE2 3.42Å; T94-Q97 WeakPolarHBondContact O-CB 3.5Å; T94-Q97 PolarHBondContact O-N 3.33Å; T94-Q97 VanDerWaalsContact O-N 3.14Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.48Å; T94-Q97 PolarHBondContact OG1-N 2.89Å; T94-I98 VanDerWaalsContact O-CG1 3.3Å; T94-I98 WeakPolarHBondContact O-CG1 3.46Å; T94-I98 PolarHBondContact O-N 2.82Å
95F95.4Very high93.8Very high75 Ų7549.3 Ų49.333%0.32926%0.261SS..Hα-helixtrans-61.1-38.6177.9-69.5-8.4000111.8Q97 I98 D99 N168 Y169 F172F95-Q97 VanDerWaalsContact C-N 3.31Å; F95-Q97 PolarHBondContact O-N 3.45Å; F95-I98 HydrophobicContact CD1-CD1 4.1Å; F95-I98 WeakPolarHBondContact O-CB 3.32Å; F95-I98 PolarHBondContact O-N 3.38Å; F95-I98 VanDerWaalsContact O-N 3.13Å; F95-D99 WeakPolarHBondContact O-CB 3.44Å; F95-D99 VanDerWaalsContact O-CG 3.3Å; F95-D99 PolarHBondContact O-N 3.31Å; F95-N168 HydrophobicContact CZ-CB 4.17Å; F95-Y169 HydrophobicContact CD1-CD2 4.15Å; F95-Y169 HydrophobicContact CE1-CD2 4.16Å; F95-F172 HydrophobicContact CD2-CD2 4.33Å; F95-F172 HydrophobicContact CD2-CG 4.39Å; F95-F172 HydrophobicContact CE2-CB 4.04Å; F95-F172 HydrophobicContact CE2-CD2 4.25Å; F95-F172 HydrophobicContact CE2-CG 4.18Å; F95-F172 HydrophobicContact CZ-CB 4.19Å
96E96.4Very high93.8Very high135 Ų13547.9 Ų47.963%0.63125%0.25SS*.Hα-helixtrans-62.8-38.9175.4-53.677.3-169.800111.7T94 A100T94-E96 VanDerWaalsContact C-N 3.28Å; T94-E96 WeakPolarHBondContact CB-OE2 3.48Å; T94-E96 PolarHBondContact O-N 3.31Å; T94-E96 PolarHBondContact OG1-OE2 3.42Å; E96-A100 VanDerWaalsContact O-CB 3.25Å; E96-A100 WeakPolarHBondContact O-CB 3.46Å; E96-A100 PolarHBondContact O-N 2.91Å
97Q97.9Very high94Very high39 Ų3949.6 Ų49.618%0.18226%0.262CS..Hα-helixtrans-67.9-39.1174.7-68.4-179.3-45.200111.8L84 P85 P93 T94 F95 G101L84-Q97 VanDerWaalsContact CD1-O 3.26Å; L84-Q97 WeakPolarHBondContact CD1-O 3.5Å; L84-Q97 HydrophobicContact CD2-CB 4.18Å; L84-Q97 HydrophobicContact CD2-CG 4.25Å; P85-Q97 PolarHBondContact O-NE2 3.24Å; P93-Q97 VanDerWaalsContact CA-OE1 3.29Å; P93-Q97 HydrophobicContact CB-CB 4.16Å; T94-Q97 WeakPolarHBondContact O-CB 3.5Å; T94-Q97 PolarHBondContact O-N 3.33Å; T94-Q97 VanDerWaalsContact O-N 3.14Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.48Å; T94-Q97 PolarHBondContact OG1-N 2.89Å; F95-Q97 VanDerWaalsContact C-N 3.31Å; F95-Q97 PolarHBondContact O-N 3.45Å; Q97-G101 PolarHBondContact O-N 2.83Å
98I97.9Very high94.4Very high1 Ų142 Ų421%0.00523%0.234CC..Hα-helixtrans-63.4-49.1176.5-66.2164.6000109.6P93 T94 F95 A100 G101 I102 F128 L129 C132 Y169P93-I98 HydrophobicContact CB-CG1 3.93Å; T94-I98 VanDerWaalsContact O-CG1 3.3Å; T94-I98 WeakPolarHBondContact O-CG1 3.46Å; T94-I98 PolarHBondContact O-N 2.82Å; F95-I98 HydrophobicContact CD1-CD1 4.1Å; F95-I98 WeakPolarHBondContact O-CB 3.32Å; F95-I98 PolarHBondContact O-N 3.38Å; F95-I98 VanDerWaalsContact O-N 3.13Å; I98-A100 PolarHBondContact O-N 3.41Å; I98-G101 PolarHBondContact O-N 2.93Å; I98-I102 HydrophobicContact CG2-CD1 3.61Å; I98-I102 HydrophobicContact CG2-CG1 4.25Å; I98-I102 WeakPolarHBondContact O-CB 3.35Å; I98-I102 WeakPolarHBondContact O-CG1 3.14Å; I98-I102 PolarHBondContact O-N 3.5Å; I98-F128 HydrophobicContact CD1-CE1 3.92Å; I98-F128 HydrophobicContact CG1-CE1 4.44Å; I98-L129 HydrophobicContact CG2-CD1 4.48Å; I98-C132 HydrophobicContact CG2-CB 3.78Å; I98-Y169 HydrophobicContact CB-CE2 4.29Å; I98-Y169 HydrophobicContact CD1-CD2 3.87Å; I98-Y169 HydrophobicContact CD1-CE2 4.33Å; I98-Y169 HydrophobicContact CD1-CG 4.22Å; I98-Y169 HydrophobicContact CG2-CD2 4.11Å; I98-Y169 HydrophobicContact CG2-CE1 4.15Å; I98-Y169 HydrophobicContact CG2-CE2 3.48Å; I98-Y169 VanDerWaalsContact CG2-CE2 3.48Å
99D97.3Very high94.9Very high70 Ų7043.3 Ų43.337%0.37424%0.242SC..Hα-helixtrans-63.3-44.2-179.1-69-16.1000111.6F95 G101 I102 S103F95-D99 WeakPolarHBondContact O-CB 3.44Å; F95-D99 VanDerWaalsContact O-CG 3.3Å; F95-D99 PolarHBondContact O-N 3.31Å; D99-G101 VanDerWaalsContact C-N 3.33Å; D99-G101 PolarHBondContact O-N 3.27Å; D99-I102 PolarHBondContact O-N 2.81Å; D99-S103 VanDerWaalsContact O-CB 3.28Å; D99-S103 WeakPolarHBondContact O-CB 3.42Å; D99-S103 PolarHBondContact O-N 3.49Å
100A98.3Very high95.6Very high40 Ų4045.8 Ų45.833%0.33126%0.255SS..Hα-helixtrans-59.8-43.7173.400000111.8L84 E96 I98 F104L84-A100 HydrophobicContact CD2-CB 4.24Å; E96-A100 VanDerWaalsContact O-CB 3.25Å; E96-A100 WeakPolarHBondContact O-CB 3.46Å; E96-A100 PolarHBondContact O-N 2.91Å; I98-A100 PolarHBondContact O-N 3.41Å; A100-F104 VanDerWaalsContact O-CB 3.3Å; A100-F104 WeakPolarHBondContact O-CB 3.24Å; A100-F104 PolarHBondContact O-N 3.18Å
101G98.3Very high96.1Very high0 Ų045.2 Ų45.20%026%0.255CS..Hα-helixtrans-63-46.1176.700000112.7Q97 I98 D99 F104 I105Q97-G101 PolarHBondContact O-N 2.83Å; I98-G101 PolarHBondContact O-N 2.93Å; D99-G101 VanDerWaalsContact C-N 3.33Å; D99-G101 PolarHBondContact O-N 3.27Å; G101-F104 PolarHBondContact O-N 3.4Å; G101-I105 WeakPolarHBondContact O-CB 3.47Å; G101-I105 WeakPolarHBondContact O-CD1 3.31Å; G101-I105 WeakPolarHBondContact O-CG1 3.28Å; G101-I105 PolarHBondContact O-N 3.36Å
102I98.1Very high96.5Very high7 Ų751.5 Ų51.54%0.03629%0.286CS..Hα-helixtrans-64.9-45.1178.7-70.7174.3000110.9I98 D99 F104 I105 N106 Y133 Y136 Y169I98-I102 HydrophobicContact CG2-CD1 3.61Å; I98-I102 HydrophobicContact CG2-CG1 4.25Å; I98-I102 WeakPolarHBondContact O-CB 3.35Å; I98-I102 WeakPolarHBondContact O-CG1 3.14Å; I98-I102 PolarHBondContact O-N 3.5Å; D99-I102 PolarHBondContact O-N 2.81Å; I102-F104 VanDerWaalsContact C-N 3.32Å; I102-F104 PolarHBondContact O-N 3.21Å; I102-I105 PolarHBondContact O-N 2.94Å; I102-N106 WeakPolarHBondContact O-CB 3.49Å; I102-N106 PolarHBondContact O-N 3.15Å; I102-N106 PolarHBondContact O-ND2 3.14Å; I102-Y133 HydrophobicContact CB-CD2 4.46Å; I102-Y133 HydrophobicContact CG1-CD2 4.13Å; I102-Y133 HydrophobicContact CG2-CD2 4.2Å; I102-Y136 HydrophobicContact CD1-CD1 4.43Å; I102-Y136 HydrophobicContact CD1-CG 4.17Å; I102-Y136 HydrophobicContact CG2-CD1 3.6Å; I102-Y136 HydrophobicContact CG2-CE1 3.67Å; I102-Y136 HydrophobicContact CG2-CG 4.27Å; I102-Y169 WeakPolarHBondContact CD1-OH 3.48Å
103S98.1Very high96.7Very high78 Ų7849.5 Ų49.555%0.54528%0.275SS..Hα-helixtrans-58.2-45.8176.2-178.20000111.3D99 N106 S107D99-S103 VanDerWaalsContact O-CB 3.28Å; D99-S103 WeakPolarHBondContact O-CB 3.42Å; D99-S103 PolarHBondContact O-N 3.49Å; S103-N106 PolarHBondContact O-N 2.91Å; S103-S107 PolarHBondContact O-N 3.3Å
104F98.4Very high96.9Very high31 Ų3149.4 Ų49.414%0.13627%0.274CS..Hα-helixtrans-63.7-44.6177.3-174.9-95.8000112.6H54 I55 V56 K80 L82 A100 G101 I102 N106 S107 C108 V115H54-F104 HydrophobicContact CB-CE1 3.69Å; H54-F104 HydrophobicContact CB-CZ 3.92Å; H54-F104 AromaticContact CD2-CZ 3.71Å; I55-F104 WeakPolarHBondContact O-CE1 3.27Å; V56-F104 HydrophobicContact CG2-CD1 3.35Å; V56-F104 HydrophobicContact CG2-CE1 3.6Å; V56-F104 HydrophobicContact CG2-CG 4.44Å; K80-F104 HydrophobicContact CB-CE2 4.05Å; K80-F104 HydrophobicContact CB-CZ 3.91Å; L82-F104 HydrophobicContact CB-CD1 4.02Å; L82-F104 HydrophobicContact CB-CD2 3.9Å; L82-F104 HydrophobicContact CB-CE1 3.98Å; L82-F104 HydrophobicContact CB-CE2 3.9Å; L82-F104 HydrophobicContact CB-CG 3.94Å; L82-F104 HydrophobicContact CB-CZ 3.93Å; L82-F104 HydrophobicContact CD2-CB 3.67Å; L82-F104 HydrophobicContact CD2-CD1 4.27Å; L82-F104 HydrophobicContact CD2-CD2 4.37Å; L82-F104 HydrophobicContact CD2-CG 3.88Å; L82-F104 HydrophobicContact CG-CG 4.49Å; A100-F104 VanDerWaalsContact O-CB 3.3Å; A100-F104 WeakPolarHBondContact O-CB 3.24Å; A100-F104 PolarHBondContact O-N 3.18Å; G101-F104 PolarHBondContact O-N 3.4Å; I102-F104 VanDerWaalsContact C-N 3.32Å; I102-F104 PolarHBondContact O-N 3.21Å; F104-N106 PolarHBondContact O-N 3.13Å; F104-S107 PolarHBondContact O-N 3.38Å; F104-S107 PolarHBondContact O-OG 3.38Å; F104-C108 PolarHBondContact O-N 3.08Å; F104-C108 VanDerWaalsContact O-N 3.12Å; F104-V115 HydrophobicContact CD1-CG2 4.47Å; F104-V115 HydrophobicContact CE1-CG2 4.27Å
105I98.2Very high97Very high0 Ų046.1 Ų46.10%025%0.254CS..Hα-helixtrans-58.6-47.3174.6-69.2161.1000110.5L32 G101 I102 S107 C108 V109 V115 I117 Y133L32-I105 HydrophobicContact CD2-CG2 3.52Å; G101-I105 WeakPolarHBondContact O-CB 3.47Å; G101-I105 WeakPolarHBondContact O-CD1 3.31Å; G101-I105 WeakPolarHBondContact O-CG1 3.28Å; G101-I105 PolarHBondContact O-N 3.36Å; I102-I105 PolarHBondContact O-N 2.94Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 2.84Å; I105-C108 WeakPolarHBondContact O-CB 2.98Å; I105-C108 PolarHBondContact O-N 2.98Å; I105-C108 VanDerWaalsContact O-N 3.14Å; I105-V109 HydrophobicContact CG2-CG2 4.35Å; I105-V109 WeakPolarHBondContact O-CG2 3.38Å; I105-V109 PolarHBondContact O-N 3.36Å; I105-V115 HydrophobicContact CG1-CG1 4.19Å; I105-V115 HydrophobicContact CG1-CG2 4.48Å; I105-V115 HydrophobicContact CG2-CG1 4.16Å; I105-I117 HydrophobicContact CD1-CD1 3.55Å; I105-I117 HydrophobicContact CD1-CG1 4.44Å; I105-I117 HydrophobicContact CG1-CD1 4.11Å; I105-Y133 HydrophobicContact CB-CD2 4.15Å; I105-Y133 HydrophobicContact CB-CE2 4.03Å; I105-Y133 HydrophobicContact CD1-CD2 4.02Å; I105-Y133 HydrophobicContact CD1-CG 4.17Å; I105-Y133 HydrophobicContact CG2-CD2 3.76Å; I105-Y133 HydrophobicContact CG2-CE1 4.18Å; I105-Y133 HydrophobicContact CG2-CE2 3.35Å; I105-Y133 HydrophobicContact CG2-CG 4.32Å
106N97.6Very high97.2Very high28 Ų2842.6 Ų42.615%0.1524%0.239CC..Hα-helixtrans-61.2-39.8178.9-75.1-28.3000112I102 S103 F104 C108 V109 Q110 Y133I102-N106 WeakPolarHBondContact O-CB 3.49Å; I102-N106 PolarHBondContact O-N 3.15Å; I102-N106 PolarHBondContact O-ND2 3.14Å; S103-N106 PolarHBondContact O-N 2.91Å; F104-N106 PolarHBondContact O-N 3.13Å; N106-C108 VanDerWaalsContact C-N 3.29Å; N106-C108 PolarHBondContact O-N 2.68Å; N106-V109 PolarHBondContact O-N 3.34Å; N106-Q110 WeakPolarHBondContact O-CB 3.45Å; N106-Q110 VanDerWaalsContact O-CG 3.25Å; N106-Q110 WeakPolarHBondContact O-CG 3.38Å; N106-Q110 PolarHBondContact O-N 2.69Å; N106-Y133 WeakPolarHBondContact OD1-CE2 3.48Å; N106-Y133 PolarHBondContact OD1-OH 3.05Å
107S97.3Very high97.3Very high41 Ų4136.1 Ų36.129%0.28721%0.208SC..Hα-helixtrans-62.7-35.5175.982.60000112.7S103 F104 I105 S111S103-S107 PolarHBondContact O-N 3.3Å; F104-S107 PolarHBondContact O-N 3.38Å; F104-S107 PolarHBondContact O-OG 3.38Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 2.84Å; S107-S111 PolarHBondContact O-N 3.33Å; S107-S111 PolarHBondContact O-OG 3.4Å
108C97.3Very high97.3Very high0 Ų034.3 Ų34.30%020%0.2CC..Hα-helixtrans-67.4-47.7173.7178.90000111.2H54 F104 I105 N106 Q110 S111 N112 G113 C114 V115H54-C108 HydrophobicContact CB-CB 4.03Å; H54-C108 PolarHBondContact ND1-SG 3.15Å; F104-C108 PolarHBondContact O-N 3.08Å; F104-C108 VanDerWaalsContact O-N 3.12Å; I105-C108 WeakPolarHBondContact O-CB 2.98Å; I105-C108 PolarHBondContact O-N 2.98Å; I105-C108 VanDerWaalsContact O-N 3.14Å; N106-C108 VanDerWaalsContact C-N 3.29Å; N106-C108 PolarHBondContact O-N 2.68Å; C108-Q110 VanDerWaalsContact C-N 3.34Å; C108-Q110 PolarHBondContact O-N 2.63Å; C108-S111 PolarHBondContact O-N 3.38Å; C108-S111 PolarHBondContact O-OG 3.13Å; C108-N112 PolarHBondContact O-N 2.96Å; C108-G113 PolarHBondContact O-N 3.25Å; C108-C114 PolarHBondContact SG-N 3.15Å; C108-V115 HydrophobicContact CB-CB 4.12Å; C108-V115 PolarHBondContact SG-N 3.18Å
109V94.9Very high97.1Very high50 Ų5034.4 Ų34.430%0.30320%0.201SC..Hα-helixtrans-62-43-179.8174.30000111I105 N106 S111 N112I105-V109 HydrophobicContact CG2-CG2 4.35Å; I105-V109 WeakPolarHBondContact O-CG2 3.38Å; I105-V109 PolarHBondContact O-N 3.36Å; N106-V109 PolarHBondContact O-N 3.34Å; V109-S111 PolarHBondContact O-N 2.78Å; V109-N112 PolarHBondContact O-N 3.39Å
110Q95.1Very high96.9Very high158 Ų15831.5 Ų31.574%0.73819%0.185SC*.Hα-helixtrans-63.2-28.8177.5-73.3170-1.300113.3N106 C108 N112N106-Q110 WeakPolarHBondContact O-CB 3.45Å; N106-Q110 VanDerWaalsContact O-CG 3.25Å; N106-Q110 WeakPolarHBondContact O-CG 3.38Å; N106-Q110 PolarHBondContact O-N 2.69Å; C108-Q110 VanDerWaalsContact C-N 3.34Å; C108-Q110 PolarHBondContact O-N 2.63Å; Q110-N112 VanDerWaalsContact C-N 3.28Å
111S94.5Very high96.6Very high64 Ų6431.5 Ų31.545%0.44819%0.185SC..THydrogen-bonded Turntrans-88.912.6175.9520000113.5S107 C108 V109 G113S107-S111 PolarHBondContact O-N 3.33Å; S107-S111 PolarHBondContact O-OG 3.4Å; C108-S111 PolarHBondContact O-N 3.38Å; C108-S111 PolarHBondContact O-OG 3.13Å; V109-S111 PolarHBondContact O-N 2.78Å; S111-G113 PolarHBondContact O-N 3.49Å; S111-G113 VanDerWaalsContact O-N 3.17Å
112N94.6Very high96.3Very high143 Ų14331.5 Ų31.577%0.76519%0.185SC*.THydrogen-bonded Turntrans54.327.9-173.9-61.5-50.4000113.3C108 V109 Q110C108-N112 PolarHBondContact O-N 2.96Å; V109-N112 PolarHBondContact O-N 3.39Å; Q110-N112 VanDerWaalsContact C-N 3.28Å
113G96.3Very high96Very high5 Ų535.1 Ų35.15%0.05220%0.198CC..  trans-84.8176.6177.900000113.3S31 T53 C108 S111S31-G113 WeakPolarHBondContact CA-O 3.29Å; S31-G113 WeakPolarHBondContact CB-O 3.43Å; S31-G113 PolarHBondContact OG-O 3.39Å; T53-G113 VanDerWaalsContact OG1-CA 3.29Å; T53-G113 WeakPolarHBondContact OG1-CA 3.45Å; C108-G113 PolarHBondContact O-N 3.25Å; S111-G113 PolarHBondContact O-N 3.49Å; S111-G113 VanDerWaalsContact O-N 3.17Å
114C97.8Very high95.9Very high4 Ų432.3 Ų32.33%0.02718%0.178CC..EExtended strand (participates in β ladder)trans-119.8127.6169.5-164.30000110.4S31 N51 T53 H54 C108S31-C114 WeakPolarHBondContact O-CA 3.44Å; N51-C114 VanDerWaalsContact O-CB 3.25Å; N51-C114 WeakPolarHBondContact O-CB 3Å; T53-C114 PolarHBondContact N-O 3.23Å; T53-C114 PolarHBondContact OG1-N 2.92Å; T53-C114 PolarHBondContact OG1-O 3.22Å; H54-C114 PolarHBondContact N-O 2.92Å; C108-C114 PolarHBondContact SG-N 3.15Å
115V98.3Very high95.8Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-103.8131.1178.761.70000111.3S31 L32 I33 H54 V56 F104 I105 C108 I117S31-V115 WeakPolarHBondContact O-CG1 3.43Å; S31-V115 PolarHBondContact O-N 3.05Å; L32-V115 HydrophobicContact CD2-CG1 3.22Å; L32-V115 HydrophobicContact CG-CG1 4.37Å; I33-V115 PolarHBondContact N-O 3.25Å; H54-V115 HydrophobicContact CB-CB 3.91Å; H54-V115 HydrophobicContact CB-CG2 3.89Å; H54-V115 CarbonylContact O-C 3.59Å; H54-V115 VanDerWaalsContact O-CA 3.3Å; H54-V115 WeakPolarHBondContact O-CA 3.35Å; V56-V115 HydrophobicContact CG2-CG2 3.83Å; F104-V115 HydrophobicContact CD1-CG2 4.47Å; F104-V115 HydrophobicContact CE1-CG2 4.27Å; I105-V115 HydrophobicContact CG1-CG1 4.19Å; I105-V115 HydrophobicContact CG1-CG2 4.48Å; I105-V115 HydrophobicContact CG2-CG1 4.16Å; C108-V115 HydrophobicContact CB-CB 4.12Å; C108-V115 PolarHBondContact SG-N 3.18Å; V115-I117 HydrophobicContact CG2-CG1 4.25Å
116Y98.5Very high95.7Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-99.8109172.6-175.2-122.8000111.2I33 G35 A36 P38 W43 W46 H54 I55 V56 H118I33-Y116 HydrophobicContact CB-CD2 3.96Å; I33-Y116 HydrophobicContact CG2-CD2 3.62Å; I33-Y116 HydrophobicContact CG2-CE2 3.84Å; I33-Y116 WeakPolarHBondContact O-CA 3.29Å; G35-Y116 WeakPolarHBondContact CA-OH 3.39Å; A36-Y116 PolarHBondContact N-OH 3.49Å; A36-Y116 PolarHBondContact O-OH 2.7Å; P38-Y116 HydrophobicContact CB-CE1 4.03Å; P38-Y116 HydrophobicContact CG-CE1 4.4Å; W43-Y116 HydrophobicContact CH2-CD1 4.24Å; W43-Y116 AromaticContact CZ3-CD1 3.92Å; W43-Y116 HydrophobicContact CZ3-CD1 3.92Å; W43-Y116 HydrophobicContact CZ3-CE1 4.19Å; W46-Y116 AromaticContact CH2-CD1 3.83Å; W46-Y116 HydrophobicContact CH2-CD1 3.83Å; W46-Y116 AromaticContact CH2-CD2 3.79Å; W46-Y116 HydrophobicContact CH2-CD2 3.79Å; W46-Y116 AromaticContact CH2-CE1 3.72Å; W46-Y116 HydrophobicContact CH2-CE1 3.72Å; W46-Y116 AromaticContact CH2-CE2 3.68Å; W46-Y116 HydrophobicContact CH2-CE2 3.68Å; W46-Y116 AromaticContact CH2-CG 3.85Å; W46-Y116 HydrophobicContact CH2-CG 3.85Å; W46-Y116 AromaticContact CH2-CZ 3.61Å; W46-Y116 HydrophobicContact CZ2-CE1 4.12Å; W46-Y116 HydrophobicContact CZ3-CD2 4.22Å; W46-Y116 HydrophobicContact CZ3-CE2 4.31Å; W46-Y116 HydrophobicContact CZ3-CG 4.46Å; H54-Y116 PolarHBondContact O-N 3.31Å; I55-Y116 CarbonylContact C-O 3.47Å; I55-Y116 WeakPolarHBondContact CA-O 3.45Å; V56-Y116 PolarHBondContact N-O 3.27Å; Y116-H118 HydrophobicContact CD1-CB 4.02Å; Y116-H118 AromaticContact CD1-CD2 3.81Å; Y116-H118 HydrophobicContact CE1-CB 3.49Å; Y116-H118 VanDerWaalsContact CE1-CB 3.49Å; Y116-H118 AromaticContact CE1-CD2 3.88Å; Y116-H118 AromaticContact CE1-CG 3.82Å
117I98.4Very high95.7Very high0 Ų029.6 Ų29.60%016%0.164CC..EExtended strand (participates in β ladder)trans-96.9116.1177.2-48.7172.8000108.5L32 I33 V34 G35 V56 L58 I105 V115 L129L32-I117 HydrophobicContact CD2-CD1 4.43Å; I33-I117 PolarHBondContact O-N 3.3Å; V34-I117 CarbonylContact C-O 3.6Å; V34-I117 VanDerWaalsContact CA-O 3.26Å; V34-I117 WeakPolarHBondContact CA-O 3.24Å; V34-I117 WeakPolarHBondContact CG2-O 3.09Å; G35-I117 PolarHBondContact N-O 2.87Å; V56-I117 HydrophobicContact CB-CB 4.5Å; V56-I117 HydrophobicContact CB-CG1 4.31Å; V56-I117 HydrophobicContact CB-CG2 4.22Å; V56-I117 HydrophobicContact CG1-CG2 4.44Å; V56-I117 HydrophobicContact CG2-CG1 4.48Å; V56-I117 WeakPolarHBondContact O-CA 3.25Å; L58-I117 HydrophobicContact CD1-CG2 3.83Å; I105-I117 HydrophobicContact CD1-CD1 3.55Å; I105-I117 HydrophobicContact CD1-CG1 4.44Å; I105-I117 HydrophobicContact CG1-CD1 4.11Å; V115-I117 HydrophobicContact CG2-CG1 4.25Å; I117-L129 HydrophobicContact CG2-CD2 4.08Å
118H97.4Very high95.7Very high0 Ų027.7 Ų27.70%015%0.151CC..EExtended strand (participates in β ladder)trans-134.3160.6-1777991.9000114.1G35 A36 P38 V56 S57 L58 Y116G35-H118 WeakPolarHBondContact O-CA 3.21Å; G35-H118 WeakPolarHBondContact O-CB 3.29Å; A36-H118 WeakPolarHBondContact O-CB 3.48Å; P38-H118 WeakPolarHBondContact CD-CE1 3.5Å; P38-H118 VanDerWaalsContact CD-ND1 3.32Å; P38-H118 WeakPolarHBondContact CD-ND1 3.3Å; V56-H118 PolarHBondContact O-N 3.02Å; S57-H118 WeakPolarHBondContact CB-NE2 3.26Å; S57-H118 PolarHBondContact OG-CE1 3.13Å; S57-H118 VanDerWaalsContact OG-CE1 3.23Å; S57-H118 PolarHBondContact OG-NE2 2.78Å; L58-H118 WeakPolarHBondContact CD1-O 3.38Å; L58-H118 PolarHBondContact N-O 3.3Å; Y116-H118 HydrophobicContact CD1-CB 4.02Å; Y116-H118 AromaticContact CD1-CD2 3.81Å; Y116-H118 HydrophobicContact CE1-CB 3.49Å; Y116-H118 VanDerWaalsContact CE1-CB 3.49Å; Y116-H118 AromaticContact CE1-CD2 3.88Å; Y116-H118 AromaticContact CE1-CG 3.82Å
119C94.6Very high95.8Very high3 Ų327.7 Ų27.72%0.0215%0.151CC..  trans-133.5-139.2161.964.90000106.7G35 A36 L37 L58 G122 R125G35-C119 PolarHBondContact O-N 2.73Å; A36-C119 CarbonylContact C-O 3.51Å; L37-C119 PolarHBondContact N-O 3.37Å; L58-C119 HydrophobicContact CB-CB 4.24Å; C119-G122 PolarHBondContact SG-N 3.49Å; C119-G122 VanDerWaalsContact SG-N 3.35Å; C119-R125 HydrophobicContact CB-CB 3.78Å
120K92.7Very high95.9Very high9 Ų925.4 Ų25.44%0.03914%0.137CC..SBendtrans-78.3-57.8177.3-176.1-180177-173.20113.5M1 F6 S9 T10 A36 L37 L59M1-K120 PolarHBondContact SD-NZ 3.44Å; F6-K120 VanDerWaalsContact CA-NZ 3.35Å; F6-K120 HydrophobicContact CD2-CD 3.78Å; F6-K120 VanDerWaalsContact CD2-CE 3.5Å; F6-K120 HydrophobicContact CE2-CD 3.69Å; F6-K120 HydrophobicContact CE2-CG 4.05Å; F6-K120 WeakPolarHBondContact O-CE 3.25Å; F6-K120 PolarHBondContact O-NZ 3.41Å; F6-K120 VanDerWaalsContact O-NZ 3.17Å; S9-K120 WeakPolarHBondContact OG-CE 3.19Å; S9-K120 PolarHBondContact OG-NZ 3.17Å; T10-K120 VanDerWaalsContact OG1-CE 3.26Å; T10-K120 WeakPolarHBondContact OG1-CE 3.39Å; A36-K120 CarbonylContact C-O 3.58Å; A36-K120 VanDerWaalsContact CA-O 3.31Å; A36-K120 WeakPolarHBondContact CA-O 3.4Å; A36-K120 VanDerWaalsContact CB-O 3.28Å; A36-K120 WeakPolarHBondContact CB-O 3.37Å; L37-K120 HydrophobicContact CD1-CG 4.48Å; L37-K120 HydrophobicContact CG-CG 4.47Å; L37-K120 PolarHBondContact N-O 3.35Å; L37-K120 VanDerWaalsContact N-O 3.08Å; L59-K120 HydrophobicContact CD2-CB 4.13Å
121A91.4Very high96.1Very high41 Ų4117.9 Ų17.934%0.33910%0.102SC..SBendtrans-106.6-5.4-178.100000113.3R123 R153A121-R123 VanDerWaalsContact C-N 3.29Å; A121-R123 HydrophobicContact CB-CB 4.43Å; A121-R123 HydrophobicContact CB-CG 3.81Å; A121-R123 PolarHBondContact O-N 3.08Å; A121-R153 PolarHBondContact O-NH2 3.47Å; A121-R153 VanDerWaalsContact O-NH2 3.13Å
122G92.2Very high96.2Very high0 Ų014.8 Ų14.80%08%0.08CC..SBendtrans63.932.6-173.300000113.7G35 C119 S126 R153G35-G122 WeakPolarHBondContact O-CA 3.45Å; G35-G122 PolarHBondContact O-N 3.48Å; C119-G122 PolarHBondContact SG-N 3.49Å; C119-G122 VanDerWaalsContact SG-N 3.35Å; G122-S126 WeakPolarHBondContact CA-OG 3.43Å; G122-R153 WeakPolarHBondContact O-CD 3.35Å; G122-R153 PolarHBondContact O-NE 3.27Å
123R92.9Very high96.4Very high82 Ų828.5 Ų8.531%0.3095%0.046SC..SBendtrans-106.1-34.3-171.8-70-179.172.2-169.11.3114.4A121 H155 I156 V157A121-R123 VanDerWaalsContact C-N 3.29Å; A121-R123 HydrophobicContact CB-CB 4.43Å; A121-R123 HydrophobicContact CB-CG 3.81Å; A121-R123 PolarHBondContact O-N 3.08Å; R123-H155 PolarHBondContact NE-O 3.49Å; R123-I156 CarbonylContact O-C 3.52Å; R123-I156 WeakPolarHBondContact O-CA 3.47Å; R123-I156 WeakPolarHBondContact O-CB 3.48Å; R123-V157 VanDerWaalsContact NH2-CG2 3.31Å; R123-V157 PolarHBondContact O-N 3.24Å
124T95Very high96.5Very high19 Ų198.4 Ų8.412%0.1174%0.044CC..SBendtrans-134.1-70.4-167.3-54.90000110.1A127 F128 V157 F158 H162T124-A127 CarbonylContact O-C 3.57Å; T124-A127 PolarHBondContact O-N 3.38Å; T124-F128 VanDerWaalsContact O-CB 3.3Å; T124-F128 WeakPolarHBondContact O-CB 3.36Å; T124-F128 PolarHBondContact O-N 2.93Å; T124-V157 WeakPolarHBondContact CG2-O 3.3Å; T124-V157 PolarHBondContact OG1-O 3.42Å; T124-F158 HydrophobicContact CG2-CD1 4.37Å; T124-H162 WeakPolarHBondContact CG2-CD2 3.45Å; T124-H162 WeakPolarHBondContact CG2-NE2 3.43Å
125R96.5Very high96.5Very high2 Ų28.3 Ų8.31%0.0084%0.043CC..Hα-helixtrans-55.8-58.8-176.6-63.6176-81.2167-3.4113.6L58 E63 V86 D88 C119 A127 F128 L129L58-R125 HydrophobicContact CB-CB 3.94Å; L58-R125 HydrophobicContact CD2-CB 4.05Å; L58-R125 WeakPolarHBondContact CD2-O 3.45Å; L58-R125 PolarHBondContact O-NH1 3.44Å; E63-R125 IonicContact OE1-CZ 2.62Å; E63-R125 IonicContact OE1-NH1 2.79Å; E63-R125 IonicContact OE1-NH2 3.01Å; E63-R125 PolarHBondContact OE1-NH2 3.03Å; E63-R125 IonicContact OE2-CZ 3.63Å; E63-R125 IonicContact OE2-NH1 2.89Å; E63-R125 PolarHBondContact OE2-NH1 3.12Å; E63-R125 IonicContact OE2-NH2 2.75Å; E63-R125 PolarHBondContact OE2-NH2 2.87Å; V86-R125 HydrophobicContact CB-CG 4.34Å; V86-R125 HydrophobicContact CG1-CG 3.93Å; V86-R125 WeakPolarHBondContact O-CD 3.46Å; V86-R125 PolarHBondContact O-NH1 3.21Å; D88-R125 IonicContact OD1-CZ 3.06Å; D88-R125 IonicContact OD1-NE 2.69Å; D88-R125 PolarHBondContact OD1-NE 3.45Å; D88-R125 IonicContact OD1-NH2 3.49Å; D88-R125 PolarHBondContact OD1-NH2 3.12Å; D88-R125 IonicContact OD2-NH2 2.83Å; C119-R125 HydrophobicContact CB-CB 3.78Å; R125-A127 VanDerWaalsContact C-N 3.33Å; R125-A127 PolarHBondContact O-N 3.48Å; R125-F128 VanDerWaalsContact O-CB 3.29Å; R125-F128 WeakPolarHBondContact O-CB 3.42Å; R125-F128 PolarHBondContact O-N 3.31Å; R125-F128 VanDerWaalsContact O-N 3.12Å; R125-L129 PolarHBondContact O-N 3.02Å
126S96.8Very high96.4Very high0 Ų013.5 Ų13.50%06%0.064CC..Hα-helixtrans-65.6-3617955.90000113.4G122 F128 L129 L130G122-S126 WeakPolarHBondContact CA-OG 3.43Å; S126-F128 VanDerWaalsContact C-N 3.27Å; S126-F128 PolarHBondContact O-N 2.65Å; S126-L129 PolarHBondContact O-N 3.04Å; S126-L130 WeakPolarHBondContact O-CB 3.42Å; S126-L130 PolarHBondContact O-N 2.85Å
127A96.9Very high96.2Very high0 Ų019.6 Ų19.60%09%0.09CC..Hα-helixtrans-63.5-35173.400000111.8T124 R125 L130 T131 V149 I156 F158T124-A127 CarbonylContact O-C 3.57Å; T124-A127 PolarHBondContact O-N 3.38Å; R125-A127 VanDerWaalsContact C-N 3.33Å; R125-A127 PolarHBondContact O-N 3.48Å; A127-L130 PolarHBondContact O-N 2.69Å; A127-T131 WeakPolarHBondContact O-CB 3.43Å; A127-T131 PolarHBondContact O-N 2.97Å; A127-T131 PolarHBondContact O-OG1 3.38Å; A127-V149 HydrophobicContact CB-CG1 4.44Å; A127-I156 HydrophobicContact CB-CB 4.14Å; A127-I156 HydrophobicContact CB-CG2 3.61Å; A127-F158 HydrophobicContact CB-CE1 4.23Å; A127-F158 HydrophobicContact CB-CZ 3.9Å
128F98Very high96.1Very high1 Ų124 Ų240%0.00411%0.111CC..Hα-helixtrans-63.3-52.3177.2-175-76.2000110.1V92 P93 I98 T124 R125 S126 L130 T131 C132 F158 H162 L166V92-F128 HydrophobicContact CG1-CD2 4.41Å; V92-F128 HydrophobicContact CG1-CE1 3.92Å; V92-F128 HydrophobicContact CG1-CE2 3.6Å; V92-F128 HydrophobicContact CG1-CZ 3.33Å; V92-F128 HydrophobicContact CG2-CE2 4.49Å; P93-F128 VanDerWaalsContact CD-CD1 3.43Å; P93-F128 HydrophobicContact CG-CD1 3.61Å; P93-F128 HydrophobicContact CG-CE1 4.04Å; P93-F128 HydrophobicContact CG-CG 4.37Å; I98-F128 HydrophobicContact CD1-CE1 3.92Å; I98-F128 HydrophobicContact CG1-CE1 4.44Å; T124-F128 VanDerWaalsContact O-CB 3.3Å; T124-F128 WeakPolarHBondContact O-CB 3.36Å; T124-F128 PolarHBondContact O-N 2.93Å; R125-F128 VanDerWaalsContact O-CB 3.29Å; R125-F128 WeakPolarHBondContact O-CB 3.42Å; R125-F128 PolarHBondContact O-N 3.31Å; R125-F128 VanDerWaalsContact O-N 3.12Å; S126-F128 VanDerWaalsContact C-N 3.27Å; S126-F128 PolarHBondContact O-N 2.65Å; F128-L130 VanDerWaalsContact C-N 3.31Å; F128-L130 PolarHBondContact O-N 2.9Å; F128-T131 WeakPolarHBondContact O-CA 3.31Å; F128-T131 WeakPolarHBondContact O-CB 3.21Å; F128-T131 PolarHBondContact O-N 3.36Å; F128-C132 WeakPolarHBondContact CE1-SG 3.4Å; F128-C132 PolarHBondContact O-N 2.75Å; F128-F158 HydrophobicContact CB-CE1 3.92Å; F128-F158 HydrophobicContact CB-CZ 4.47Å; F128-F158 HydrophobicContact CD2-CE1 4.37Å; F128-H162 HydrophobicContact CD2-CB 4.26Å; F128-H162 WeakPolarHBondContact CE2-O 3.33Å; F128-L166 HydrophobicContact CD1-CD2 4.39Å; F128-L166 HydrophobicContact CD2-CD2 3.88Å; F128-L166 HydrophobicContact CD2-CG 3.98Å; F128-L166 HydrophobicContact CE1-CD2 4.18Å; F128-L166 HydrophobicContact CE2-CD2 3.65Å; F128-L166 HydrophobicContact CE2-CG 3.59Å; F128-L166 HydrophobicContact CG-CD2 4.24Å; F128-L166 HydrophobicContact CZ-CD2 3.79Å; F128-L166 HydrophobicContact CZ-CG 4.1Å
129L98.3Very high96Very high1 Ų127.5 Ų27.51%0.00514%0.136CC..Hα-helixtrans-59.8-42.8177.8-179.563.1000111.6V56 L58 L84 I98 I117 R125 S126 T131 C132 Y133V56-L129 HydrophobicContact CG1-CD2 3.65Å; L58-L129 HydrophobicContact CD1-CD2 4.07Å; L58-L129 HydrophobicContact CD2-CB 4.2Å; L84-L129 HydrophobicContact CD1-CD2 4.13Å; I98-L129 HydrophobicContact CG2-CD1 4.48Å; I117-L129 HydrophobicContact CG2-CD2 4.08Å; R125-L129 PolarHBondContact O-N 3.02Å; S126-L129 PolarHBondContact O-N 3.04Å; L129-T131 VanDerWaalsContact C-N 3.3Å; L129-T131 PolarHBondContact O-N 2.94Å; L129-C132 PolarHBondContact O-N 2.86Å; L129-Y133 WeakPolarHBondContact O-CB 3.38Å; L129-Y133 PolarHBondContact O-N 3.37Å
130L98Very high96.1Very high1 Ų129.3 Ų29.31%0.00515%0.145CC..Hα-helixtrans-60.1-40.6174.2176.464.8000112I28 V34 S126 A127 F128 Y133 L134 V149I28-L130 HydrophobicContact CD1-CD2 3.93Å; I28-L130 HydrophobicContact CG1-CD1 4.44Å; I28-L130 HydrophobicContact CG1-CD2 3.71Å; I28-L130 HydrophobicContact CG2-CD1 4.44Å; V34-L130 HydrophobicContact CB-CD2 3.96Å; V34-L130 HydrophobicContact CG1-CD2 3.82Å; V34-L130 HydrophobicContact CG2-CD2 4.3Å; S126-L130 WeakPolarHBondContact O-CB 3.42Å; S126-L130 PolarHBondContact O-N 2.85Å; A127-L130 PolarHBondContact O-N 2.69Å; F128-L130 VanDerWaalsContact C-N 3.31Å; F128-L130 PolarHBondContact O-N 2.9Å; L130-Y133 PolarHBondContact O-N 2.83Å; L130-L134 HydrophobicContact CD1-CD1 4.46Å; L130-L134 HydrophobicContact CD1-CG 4.35Å; L130-L134 HydrophobicContact CG-CD1 4.34Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 3.43Å; L130-V149 HydrophobicContact CD2-CG1 3.87Å; L130-V149 HydrophobicContact CD2-CG2 3.89Å; L130-V149 HydrophobicContact CG-CG2 3.95Å
131T98.2Very high96.3Very high0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-63.7-47178-54.80000110.2A127 F128 L129 Y133 L134 M135 A145 I146 F158 L166A127-T131 WeakPolarHBondContact O-CB 3.43Å; A127-T131 PolarHBondContact O-N 2.97Å; A127-T131 PolarHBondContact O-OG1 3.38Å; F128-T131 WeakPolarHBondContact O-CA 3.31Å; F128-T131 WeakPolarHBondContact O-CB 3.21Å; F128-T131 PolarHBondContact O-N 3.36Å; L129-T131 VanDerWaalsContact C-N 3.3Å; L129-T131 PolarHBondContact O-N 2.94Å; T131-Y133 VanDerWaalsContact C-N 3.32Å; T131-Y133 PolarHBondContact O-N 3.45Å; T131-L134 PolarHBondContact O-N 3.33Å; T131-M135 HydrophobicContact CG2-SD 4.07Å; T131-M135 VanDerWaalsContact O-CG 3.26Å; T131-M135 WeakPolarHBondContact O-CG 3.49Å; T131-M135 PolarHBondContact O-N 2.85Å; T131-A145 HydrophobicContact CG2-CB 3.66Å; T131-I146 HydrophobicContact CG2-CG1 4Å; T131-F158 WeakPolarHBondContact OG1-CZ 3.42Å; T131-L166 HydrophobicContact CG2-CD1 3.97Å; T131-L166 HydrophobicContact CG2-CD2 3.82Å
132C98.3Very high96.6Very high0 Ų029.5 Ų29.50%014%0.144CC..Hα-helixtrans-57.1-44.7173.5-69.40000112I98 F128 L129 L134 M135 Y136 Y169I98-C132 HydrophobicContact CG2-CB 3.78Å; F128-C132 WeakPolarHBondContact CE1-SG 3.4Å; F128-C132 PolarHBondContact O-N 2.75Å; L129-C132 PolarHBondContact O-N 2.86Å; C132-L134 PolarHBondContact O-N 3.04Å; C132-M135 PolarHBondContact O-N 3.29Å; C132-Y136 WeakPolarHBondContact O-CB 3.41Å; C132-Y136 PolarHBondContact O-N 2.82Å; C132-Y169 HydrophobicContact CB-CD1 3.78Å; C132-Y169 HydrophobicContact CB-CE1 3.6Å
133Y98.1Very high96.9Very high10 Ų1034.9 Ų34.94%0.03917%0.17CC..Hα-helixtrans-59.3-44.9177.2175.9-97.2000112.2L32 I102 I105 N106 L129 L130 T131 Y136 K137L32-Y133 HydrophobicContact CD1-CD1 4.04Å; L32-Y133 HydrophobicContact CD1-CE1 3.5Å; I102-Y133 HydrophobicContact CB-CD2 4.46Å; I102-Y133 HydrophobicContact CG1-CD2 4.13Å; I102-Y133 HydrophobicContact CG2-CD2 4.2Å; I105-Y133 HydrophobicContact CB-CD2 4.15Å; I105-Y133 HydrophobicContact CB-CE2 4.03Å; I105-Y133 HydrophobicContact CD1-CD2 4.02Å; I105-Y133 HydrophobicContact CD1-CG 4.17Å; I105-Y133 HydrophobicContact CG2-CD2 3.76Å; I105-Y133 HydrophobicContact CG2-CE1 4.18Å; I105-Y133 HydrophobicContact CG2-CE2 3.35Å; I105-Y133 HydrophobicContact CG2-CG 4.32Å; N106-Y133 WeakPolarHBondContact OD1-CE2 3.48Å; N106-Y133 PolarHBondContact OD1-OH 3.05Å; L129-Y133 WeakPolarHBondContact O-CB 3.38Å; L129-Y133 PolarHBondContact O-N 3.37Å; L130-Y133 PolarHBondContact O-N 2.83Å; T131-Y133 VanDerWaalsContact C-N 3.32Å; T131-Y133 PolarHBondContact O-N 3.45Å; Y133-Y136 PolarHBondContact O-N 3.26Å; Y133-K137 HydrophobicContact CE1-CB 4.23Å; Y133-K137 HydrophobicContact CE1-CG 4.42Å; Y133-K137 VanDerWaalsContact O-CB 3.23Å; Y133-K137 WeakPolarHBondContact O-CB 3.39Å; Y133-K137 PolarHBondContact O-N 2.92Å
134L97.4Very high97.1Very high3 Ų332.9 Ų32.92%0.01617%0.17CC..Hα-helixtrans-67.5-39.7177.9-66.3174.5000112L130 T131 C132 Y136 K137 E138 L140 R148 V149L130-L134 HydrophobicContact CD1-CD1 4.46Å; L130-L134 HydrophobicContact CD1-CG 4.35Å; L130-L134 HydrophobicContact CG-CD1 4.34Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 3.43Å; T131-L134 PolarHBondContact O-N 3.33Å; C132-L134 PolarHBondContact O-N 3.04Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.15Å; L134-K137 PolarHBondContact O-N 2.75Å; L134-E138 WeakPolarHBondContact CD2-OE1 3.18Å; L134-E138 WeakPolarHBondContact O-CB 3.19Å; L134-E138 PolarHBondContact O-N 3.04Å; L134-L140 HydrophobicContact CB-CD1 4.33Å; L134-R148 HydrophobicContact CD1-CB 4.3Å; L134-R148 HydrophobicContact CD1-CG 3.9Å; L134-V149 HydrophobicContact CD1-CG2 3.61Å
135M97.8Very high97.3Very high2 Ų232 Ų321%0.0117%0.165CC..Hα-helixtrans-59.1-45.9173.5-67.816459.300111.3T131 C132 S139 L140 V142 A145 L166 Y169 F170 L173T131-M135 HydrophobicContact CG2-SD 4.07Å; T131-M135 VanDerWaalsContact O-CG 3.26Å; T131-M135 WeakPolarHBondContact O-CG 3.49Å; T131-M135 PolarHBondContact O-N 2.85Å; C132-M135 PolarHBondContact O-N 3.29Å; M135-S139 WeakPolarHBondContact O-CA 3.46Å; M135-S139 PolarHBondContact O-N 3.38Å; M135-L140 PolarHBondContact O-N 3.04Å; M135-V142 HydrophobicContact CE-CG2 3.84Å; M135-V142 HydrophobicContact SD-CG2 4.48Å; M135-A145 HydrophobicContact CG-CB 3.36Å; M135-A145 HydrophobicContact SD-CB 4.26Å; M135-L166 HydrophobicContact SD-CD2 4.19Å; M135-Y169 HydrophobicContact CE-CD1 4.13Å; M135-F170 HydrophobicContact CE-CB 3.45Å; M135-F170 VanDerWaalsContact CE-CB 3.45Å; M135-F170 HydrophobicContact CE-CD2 3.78Å; M135-F170 HydrophobicContact CE-CG 4.09Å; M135-L173 HydrophobicContact CB-CD1 4.15Å
136Y96.8Very high97.3Very high110 Ų11032.5 Ų32.543%0.43117%0.168SC..Hα-helixtrans-64-52.1176.9169.7-100000111.8I102 C132 Y133 L134 L173I102-Y136 HydrophobicContact CD1-CD1 4.43Å; I102-Y136 HydrophobicContact CD1-CG 4.17Å; I102-Y136 HydrophobicContact CG2-CD1 3.6Å; I102-Y136 HydrophobicContact CG2-CE1 3.67Å; I102-Y136 HydrophobicContact CG2-CG 4.27Å; C132-Y136 WeakPolarHBondContact O-CB 3.41Å; C132-Y136 PolarHBondContact O-N 2.82Å; Y133-Y136 PolarHBondContact O-N 3.26Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.15Å; Y136-L173 HydrophobicContact CD2-CD2 3.86Å
137K95.6Very high97.4Very high128 Ų12836.8 Ų36.856%0.55719%0.191SC*.Hα-helixtrans-74.9-38.3-170.3-175.562.6-176.2177.40113.5Y133 L134Y133-K137 HydrophobicContact CE1-CB 4.23Å; Y133-K137 HydrophobicContact CE1-CG 4.42Å; Y133-K137 VanDerWaalsContact O-CB 3.23Å; Y133-K137 WeakPolarHBondContact O-CB 3.39Å; Y133-K137 PolarHBondContact O-N 2.92Å; L134-K137 PolarHBondContact O-N 2.75Å
138E95.2Very high97.4Very high92 Ų9241.7 Ų41.743%0.4321%0.209SC..Hα-helixtrans-1092.8-173.1-63.6176.9-153.900112.3L134 L140L134-E138 WeakPolarHBondContact CD2-OE1 3.18Å; L134-E138 WeakPolarHBondContact O-CB 3.19Å; L134-E138 PolarHBondContact O-N 3.04Å; E138-L140 HydrophobicContact CB-CD1 4.14Å; E138-L140 HydrophobicContact CB-CD2 4.32Å; E138-L140 HydrophobicContact CB-CG 3.78Å; E138-L140 PolarHBondContact O-N 3.43Å
139S95.4Very high97.3Very high74 Ų7441.6 Ų41.652%0.51721%0.209SC..  trans54.835-177.3-60.50000113.8M135 K177M135-S139 WeakPolarHBondContact O-CA 3.46Å; M135-S139 PolarHBondContact O-N 3.38Å; S139-K177 PolarHBondContact OG-NZ 3.16Å
140L96.9Very high97.2Very high40 Ų4045.8 Ų45.821%0.20923%0.227CC..  trans-76.9147.4179.8-61.7178.7000111.7L134 M135 E138 A144 A145 R148L134-L140 HydrophobicContact CB-CD1 4.33Å; M135-L140 PolarHBondContact O-N 3.04Å; E138-L140 HydrophobicContact CB-CD1 4.14Å; E138-L140 HydrophobicContact CB-CD2 4.32Å; E138-L140 HydrophobicContact CB-CG 3.78Å; E138-L140 PolarHBondContact O-N 3.43Å; L140-A144 HydrophobicContact CB-CB 4.18Å; L140-A144 HydrophobicContact CD2-CB 4.3Å; L140-A145 HydrophobicContact CB-CB 4.02Å; L140-A145 HydrophobicContact CD1-CB 4.27Å; L140-R148 HydrophobicContact CD1-CB 4.37Å
141S97.6Very high97.1Very high47 Ų4749.1 Ų49.133%0.32925%0.25SS..  trans-63.4164.5163.472.90000110.9E143 A144 A145S141-E143 VanDerWaalsContact C-N 3.3Å; S141-E143 PolarHBondContact O-N 2.91Å; S141-A144 PolarHBondContact O-N 3.31Å; S141-A144 WeakPolarHBondContact OG-CB 3.47Å; S141-A144 PolarHBondContact OG-N 2.94Å; S141-A145 WeakPolarHBondContact O-CB 3.39Å; S141-A145 PolarHBondContact O-N 3.12Å
142V97.9Very high97Very high7 Ų752.3 Ų52.34%0.04226%0.264CS..Hα-helixtrans-55-48176.9176.50000110.8M135 A145 I146 L166 E167 F170M135-V142 HydrophobicContact CE-CG2 3.84Å; M135-V142 HydrophobicContact SD-CG2 4.48Å; V142-A145 PolarHBondContact O-N 3.31Å; V142-I146 HydrophobicContact CG1-CD1 3.76Å; V142-I146 HydrophobicContact CG1-CG1 4.48Å; V142-I146 WeakPolarHBondContact O-CB 3.26Å; V142-I146 WeakPolarHBondContact O-CG1 3.33Å; V142-I146 PolarHBondContact O-N 3.47Å; V142-L166 HydrophobicContact CG1-CB 3.72Å; V142-L166 HydrophobicContact CG1-CD1 4.21Å; V142-L166 HydrophobicContact CG2-CB 4.32Å; V142-E167 HydrophobicContact CG2-CG 4.46Å; V142-F170 HydrophobicContact CG2-CB 3.68Å; V142-F170 HydrophobicContact CG2-CD2 4.45Å; V142-F170 HydrophobicContact CG2-CG 4.04Å
143E97.7Very high96.8Very high114 Ų11452.5 Ų52.553%0.53327%0.265SS..Hα-helixtrans-64-47.7-179.2-6667.7-147.700111.5S141 A145 I146 D147S141-E143 VanDerWaalsContact C-N 3.3Å; S141-E143 PolarHBondContact O-N 2.91Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 2.78Å; E143-I146 PolarHBondContact O-N 3.39Å; E143-D147 WeakPolarHBondContact O-CB 3.38Å; E143-D147 PolarHBondContact O-N 3.16Å
144A97.9Very high96.6Very high39 Ų3960.9 Ų60.932%0.32230%0.302SS..Hα-helixtrans-62.7-40.7-179.500000111.6L140 S141 D147 R148L140-A144 HydrophobicContact CB-CB 4.18Å; L140-A144 HydrophobicContact CD2-CB 4.3Å; S141-A144 PolarHBondContact O-N 3.31Å; S141-A144 WeakPolarHBondContact OG-CB 3.47Å; S141-A144 PolarHBondContact OG-N 2.94Å; A144-D147 PolarHBondContact O-N 3.49Å; A144-R148 VanDerWaalsContact O-CB 3.27Å; A144-R148 WeakPolarHBondContact O-CB 3.4Å; A144-R148 PolarHBondContact O-N 3.46Å
145A97.7Very high96.3Very high0 Ų061.9 Ų61.90%031%0.306CS..Hα-helixtrans-66.3-42.8175.800000112T131 M135 L140 S141 V142 E143 D147 R148 V149T131-A145 HydrophobicContact CG2-CB 3.66Å; M135-A145 HydrophobicContact CG-CB 3.36Å; M135-A145 HydrophobicContact SD-CB 4.26Å; L140-A145 HydrophobicContact CB-CB 4.02Å; L140-A145 HydrophobicContact CD1-CB 4.27Å; S141-A145 WeakPolarHBondContact O-CB 3.39Å; S141-A145 PolarHBondContact O-N 3.12Å; V142-A145 PolarHBondContact O-N 3.31Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 2.78Å; A145-D147 VanDerWaalsContact C-N 3.35Å; A145-D147 PolarHBondContact O-N 3.1Å; A145-R148 WeakPolarHBondContact O-CB 3.17Å; A145-R148 PolarHBondContact O-N 3.37Å; A145-V149 WeakPolarHBondContact O-CG2 3.37Å; A145-V149 PolarHBondContact O-N 2.87Å
146I97.8Very high96.1Very high14 Ų1462.4 Ų62.47%0.07231%0.309CS..Hα-helixtrans-60-46.9175.7-71.2169.9000110.5T131 V142 E143 R148 V149 K150 F158 L166T131-I146 HydrophobicContact CG2-CG1 4Å; V142-I146 HydrophobicContact CG1-CD1 3.76Å; V142-I146 HydrophobicContact CG1-CG1 4.48Å; V142-I146 WeakPolarHBondContact O-CB 3.26Å; V142-I146 WeakPolarHBondContact O-CG1 3.33Å; V142-I146 PolarHBondContact O-N 3.47Å; E143-I146 PolarHBondContact O-N 3.39Å; I146-R148 VanDerWaalsContact C-N 3.33Å; I146-V149 PolarHBondContact O-N 3.22Å; I146-K150 HydrophobicContact CG2-CD 4.16Å; I146-K150 HydrophobicContact CG2-CG 4.47Å; I146-K150 WeakPolarHBondContact O-CG 3.3Å; I146-K150 PolarHBondContact O-N 3.22Å; I146-F158 HydrophobicContact CD1-CD2 4.04Å; I146-F158 HydrophobicContact CG1-CD2 3.84Å; I146-F158 HydrophobicContact CG1-CE2 3.87Å; I146-F158 HydrophobicContact CG2-CD2 4.18Å; I146-F158 HydrophobicContact CG2-CE2 4.41Å; I146-L166 HydrophobicContact CD1-CD1 3.79Å; I146-L166 HydrophobicContact CG1-CD1 3.91Å
147D97.4Very high96Very high90 Ų9059.8 Ų59.848%0.48130%0.304SS..Hα-helixtrans-68.9-34.9-178.4-72.4-16.7000111.6E143 A144 A145 V149 K150 S151E143-D147 WeakPolarHBondContact O-CB 3.38Å; E143-D147 PolarHBondContact O-N 3.16Å; A144-D147 PolarHBondContact O-N 3.49Å; A145-D147 VanDerWaalsContact C-N 3.35Å; A145-D147 PolarHBondContact O-N 3.1Å; D147-V149 PolarHBondContact O-N 3.07Å; D147-K150 PolarHBondContact O-N 3.49Å; D147-K150 IonicContact OD1-NZ 3.34Å; D147-K150 PolarHBondContact OD1-NZ 2.97Å; D147-S151 PolarHBondContact O-N 3.01Å
148R96.7Very high95.9Very high102 Ų10254.9 Ų54.939%0.38528%0.283SS..Hα-helixtrans-57.7-49.2170.1-172.963.9174.1136.9-2.1111.2L134 L140 A144 A145 I146 S151 F152L134-R148 HydrophobicContact CD1-CB 4.3Å; L134-R148 HydrophobicContact CD1-CG 3.9Å; L140-R148 HydrophobicContact CD1-CB 4.37Å; A144-R148 VanDerWaalsContact O-CB 3.27Å; A144-R148 WeakPolarHBondContact O-CB 3.4Å; A144-R148 PolarHBondContact O-N 3.46Å; A145-R148 WeakPolarHBondContact O-CB 3.17Å; A145-R148 PolarHBondContact O-N 3.37Å; I146-R148 VanDerWaalsContact C-N 3.33Å; R148-S151 WeakPolarHBondContact O-CB 3.41Å; R148-S151 PolarHBondContact O-N 3.4Å; R148-S151 PolarHBondContact O-OG 3.22Å; R148-F152 HydrophobicContact CG-CE2 4.49Å; R148-F152 VanDerWaalsContact CZ-CE2 3.43Å; R148-F152 VanDerWaalsContact O-CD2 3.24Å; R148-F152 WeakPolarHBondContact O-CD2 3.49Å
149V96.8Very high95.9Very high0 Ų057.9 Ų57.90%029%0.29CS..Hα-helixtrans-64.9-41.6177.3-179.50000111.7A127 L130 L134 A145 I146 D147 S151 F152 R153 I156A127-V149 HydrophobicContact CB-CG1 4.44Å; L130-V149 HydrophobicContact CD2-CG1 3.87Å; L130-V149 HydrophobicContact CD2-CG2 3.89Å; L130-V149 HydrophobicContact CG-CG2 3.95Å; L134-V149 HydrophobicContact CD1-CG2 3.61Å; A145-V149 WeakPolarHBondContact O-CG2 3.37Å; A145-V149 PolarHBondContact O-N 2.87Å; I146-V149 PolarHBondContact O-N 3.22Å; D147-V149 PolarHBondContact O-N 3.07Å; V149-S151 VanDerWaalsContact C-N 3.25Å; V149-S151 PolarHBondContact O-N 3.02Å; V149-F152 PolarHBondContact O-N 3.25Å; V149-R153 PolarHBondContact O-N 3.29Å; V149-I156 HydrophobicContact CB-CD1 3.91Å; V149-I156 HydrophobicContact CG1-CD1 3.72Å; V149-I156 HydrophobicContact CG1-CG2 4.02Å
150K96.5Very high95.8Very high88 Ų8858.9 Ų58.938%0.38330%0.297SS..Hα-helixtrans-60.6-33.6176.9-76.6175.5-173.4160.80112.9I146 D147 F152 R153 K154 I156I146-K150 HydrophobicContact CG2-CD 4.16Å; I146-K150 HydrophobicContact CG2-CG 4.47Å; I146-K150 WeakPolarHBondContact O-CG 3.3Å; I146-K150 PolarHBondContact O-N 3.22Å; D147-K150 PolarHBondContact O-N 3.49Å; D147-K150 IonicContact OD1-NZ 3.34Å; D147-K150 PolarHBondContact OD1-NZ 2.97Å; K150-F152 PolarHBondContact O-N 2.93Å; K150-R153 CarbonylContact O-C 3.34Å; K150-R153 PolarHBondContact O-N 2.88Å; K150-K154 WeakPolarHBondContact O-CA 3.35Å; K150-K154 PolarHBondContact O-N 2.86Å; K150-I156 HydrophobicContact CB-CD1 4.5Å; K150-I156 HydrophobicContact CG-CD1 3.56Å; K150-I156 HydrophobicContact CG-CG1 3.56Å
151S96Very high95.7Very high72 Ų7260.3 Ų60.350%0.50330%0.304SS..Hα-helixtrans-58.4-32.9178.477.40000112.3D147 R148 V149D147-S151 PolarHBondContact O-N 3.01Å; R148-S151 WeakPolarHBondContact O-CB 3.41Å; R148-S151 PolarHBondContact O-N 3.4Å; R148-S151 PolarHBondContact O-OG 3.22Å; V149-S151 VanDerWaalsContact C-N 3.25Å; V149-S151 PolarHBondContact O-N 3.02Å
152F94.8Very high95.6Very high66 Ų6658.1 Ų58.129%0.28929%0.288SS..Hα-helixtrans-94.2-27.9175.2-60.1-77.5000113.8S26 R27 I28 R148 V149 K150S26-F152 WeakPolarHBondContact CB-O 3.22Å; S26-F152 PolarHBondContact OG-O 2.92Å; S26-F152 VanDerWaalsContact OG-O 3.05Å; R27-F152 WeakPolarHBondContact O-CD1 3.32Å; I28-F152 HydrophobicContact CD1-CB 3.35Å; I28-F152 HydrophobicContact CD1-CD1 4.47Å; I28-F152 HydrophobicContact CD1-CD2 3.79Å; I28-F152 HydrophobicContact CD1-CG 3.65Å; I28-F152 HydrophobicContact CG2-CD2 3.94Å; I28-F152 HydrophobicContact CG2-CE2 3.83Å; I28-F152 HydrophobicContact CG2-CZ 4.39Å; I28-F152 VanDerWaalsContact O-CZ 3.28Å; I28-F152 WeakPolarHBondContact O-CZ 3.5Å; R148-F152 HydrophobicContact CG-CE2 4.49Å; R148-F152 VanDerWaalsContact CZ-CE2 3.43Å; R148-F152 VanDerWaalsContact O-CD2 3.24Å; R148-F152 WeakPolarHBondContact O-CD2 3.49Å; V149-F152 PolarHBondContact O-N 3.25Å; K150-F152 PolarHBondContact O-N 2.93Å
153R94.7Very high95.5Very high4 Ų462.8 Ų62.82%0.01531%0.308CS..  trans-141.683-174.6-162.9166.8-178.682.9-5.5111.5P23 W24 S26 A121 G122 V149 K150 H155 I156P23-R153 PolarHBondContact O-NH1 2.97Å; W24-R153 PolarHBondContact O-NH1 3.43Å; W24-R153 PolarHBondContact O-NH2 2.97Å; S26-R153 PolarHBondContact OG-NH1 3.07Å; A121-R153 PolarHBondContact O-NH2 3.47Å; A121-R153 VanDerWaalsContact O-NH2 3.13Å; G122-R153 WeakPolarHBondContact O-CD 3.35Å; G122-R153 PolarHBondContact O-NE 3.27Å; V149-R153 PolarHBondContact O-N 3.29Å; K150-R153 CarbonylContact O-C 3.34Å; K150-R153 PolarHBondContact O-N 2.88Å; R153-H155 WeakPolarHBondContact CG-CE1 3.08Å; R153-H155 PolarHBondContact NE-CE1 3.43Å; R153-H155 PolarHBondContact NE-NE2 3.46Å; R153-H155 PolarHBondContact NH1-CE1 3.04Å; R153-H155 PolarHBondContact NH2-NE2 2.9Å; R153-H155 PolarHBondContact O-N 3.43Å; R153-I156 HydrophobicContact CB-CG2 4.1Å; R153-I156 HydrophobicContact CG-CG2 4.08Å; R153-I156 WeakPolarHBondContact O-CG2 2.9Å; R153-I156 PolarHBondContact O-N 3.36Å
154K93.5Very high95.5Very high187 Ų18764.9 Ų64.981%0.81331%0.311SS*.THydrogen-bonded Turntrans-56.5-24.3-173.9-60.6-178.7-177.6179.20115K150K150-K154 WeakPolarHBondContact O-CA 3.35Å; K150-K154 PolarHBondContact O-N 2.86Å
155H92.1Very high95.4Very high24 Ų2463.5 Ų63.511%0.11130%0.301CS..THydrogen-bonded Turntrans-94.813.6-174.661.2-80000115R123 R153R123-H155 PolarHBondContact NE-O 3.49Å; R153-H155 WeakPolarHBondContact CG-CE1 3.08Å; R153-H155 PolarHBondContact NE-CE1 3.43Å; R153-H155 PolarHBondContact NE-NE2 3.46Å; R153-H155 PolarHBondContact NH1-CE1 3.04Å; R153-H155 PolarHBondContact NH2-NE2 2.9Å; R153-H155 PolarHBondContact O-N 3.43Å
156I94Very high95.4Very high13 Ų1363.5 Ų63.57%0.06730%0.301CS..  trans-63.3147.9168.368.3167.3000110.8R123 A127 V149 K150 R153 F158R123-I156 CarbonylContact O-C 3.52Å; R123-I156 WeakPolarHBondContact O-CA 3.47Å; R123-I156 WeakPolarHBondContact O-CB 3.48Å; A127-I156 HydrophobicContact CB-CB 4.14Å; A127-I156 HydrophobicContact CB-CG2 3.61Å; V149-I156 HydrophobicContact CB-CD1 3.91Å; V149-I156 HydrophobicContact CG1-CD1 3.72Å; V149-I156 HydrophobicContact CG1-CG2 4.02Å; K150-I156 HydrophobicContact CB-CD1 4.5Å; K150-I156 HydrophobicContact CG-CD1 3.56Å; K150-I156 HydrophobicContact CG-CG1 3.56Å; R153-I156 HydrophobicContact CB-CG2 4.1Å; R153-I156 HydrophobicContact CG-CG2 4.08Å; R153-I156 WeakPolarHBondContact O-CG2 2.9Å; R153-I156 PolarHBondContact O-N 3.36Å; I156-F158 HydrophobicContact CD1-CD2 4.4Å; I156-F158 HydrophobicContact CD1-CE2 3.82Å; I156-F158 HydrophobicContact CD1-CZ 4.39Å
157V93.4Very high95.4Very high54 Ų5467.3 Ų67.333%0.32732%0.318SS..  trans-139.3117.5-179.1179.90000109.8R123 T124R123-V157 VanDerWaalsContact NH2-CG2 3.31Å; R123-V157 PolarHBondContact O-N 3.24Å; T124-V157 WeakPolarHBondContact CG2-O 3.3Å; T124-V157 PolarHBondContact OG1-O 3.42Å
158F94.9Very high95.4Very high25 Ų2567.2 Ų67.211%0.1132%0.318CS..  trans-111.8113.7170.5-64.5-46.6000110.3T124 A127 F128 T131 I146 I156 H162 K163 L166T124-F158 HydrophobicContact CG2-CD1 4.37Å; A127-F158 HydrophobicContact CB-CE1 4.23Å; A127-F158 HydrophobicContact CB-CZ 3.9Å; F128-F158 HydrophobicContact CB-CE1 3.92Å; F128-F158 HydrophobicContact CB-CZ 4.47Å; F128-F158 HydrophobicContact CD2-CE1 4.37Å; T131-F158 WeakPolarHBondContact OG1-CZ 3.42Å; I146-F158 HydrophobicContact CD1-CD2 4.04Å; I146-F158 HydrophobicContact CG1-CD2 3.84Å; I146-F158 HydrophobicContact CG1-CE2 3.87Å; I146-F158 HydrophobicContact CG2-CD2 4.18Å; I146-F158 HydrophobicContact CG2-CE2 4.41Å; I156-F158 HydrophobicContact CD1-CD2 4.4Å; I156-F158 HydrophobicContact CD1-CE2 3.82Å; I156-F158 HydrophobicContact CD1-CZ 4.39Å; F158-H162 HydrophobicContact CB-CB 3.95Å; F158-H162 HydrophobicContact CD1-CB 3.78Å; F158-H162 HydrophobicContact CG-CB 4.23Å; F158-K163 HydrophobicContact CB-CG 4.23Å; F158-L166 HydrophobicContact CD2-CD1 4.17Å; F158-L166 HydrophobicContact CE2-CD1 4.18Å; F158-L166 HydrophobicContact CG-CD1 4.5Å
159R94Very high95.4Very high155 Ų15562.4 Ų62.459%0.58530%0.3SS*.  trans-75.4170.4169.2-56.3178.8176.7-121.20.4110.5M161 H162 K163R159-M161 VanDerWaalsContact C-N 3.26Å; R159-M161 PolarHBondContact O-N 3.47Å; R159-M161 VanDerWaalsContact O-N 3.15Å; R159-H162 WeakPolarHBondContact CB-ND1 3.46Å; R159-H162 PolarHBondContact N-ND1 2.97Å; R159-H162 VanDerWaalsContact N-ND1 3.16Å; R159-H162 WeakPolarHBondContact O-CB 3.45Å; R159-H162 PolarHBondContact O-N 3.21Å; R159-K163 PolarHBondContact O-N 3.33Å
160S94.1Very high95.5Very high95 Ų9566.1 Ų66.166%0.66432%0.316SS*.Hα-helixtrans-47.4-44.7179.6520000113.8H162 K163 R164S160-H162 VanDerWaalsContact C-N 3.33Å; S160-H162 PolarHBondContact O-N 3.33Å; S160-K163 PolarHBondContact O-N 3.27Å; S160-R164 PolarHBondContact O-N 3.42Å
161M93.4Very high95.5Very high70 Ų7068.3 Ų68.335%0.34533%0.325SS..Hα-helixtrans-63.2-35.9177.968.8-166.9-54.800114V90 R159 G165V90-M161 HydrophobicContact CB-CE 4.11Å; V90-M161 HydrophobicContact CB-SD 4.26Å; V90-M161 WeakPolarHBondContact O-CE 3.44Å; R159-M161 VanDerWaalsContact C-N 3.26Å; R159-M161 PolarHBondContact O-N 3.47Å; R159-M161 VanDerWaalsContact O-N 3.15Å; M161-G165 PolarHBondContact O-N 2.92Å
162H95.8Very high95.5Very high2 Ų268.3 Ų68.31%0.00932%0.317CS..Hα-helixtrans-72.7-41178.3-52.892.6000109.8F89 T124 F128 F158 R159 S160 R164 G165 L166F89-H162 PolarHBondContact O-CE1 3.08Å; T124-H162 WeakPolarHBondContact CG2-CD2 3.45Å; T124-H162 WeakPolarHBondContact CG2-NE2 3.43Å; F128-H162 HydrophobicContact CD2-CB 4.26Å; F128-H162 WeakPolarHBondContact CE2-O 3.33Å; F158-H162 HydrophobicContact CB-CB 3.95Å; F158-H162 HydrophobicContact CD1-CB 3.78Å; F158-H162 HydrophobicContact CG-CB 4.23Å; R159-H162 WeakPolarHBondContact CB-ND1 3.46Å; R159-H162 PolarHBondContact N-ND1 2.97Å; R159-H162 VanDerWaalsContact N-ND1 3.16Å; R159-H162 WeakPolarHBondContact O-CB 3.45Å; R159-H162 PolarHBondContact O-N 3.21Å; S160-H162 VanDerWaalsContact C-N 3.33Å; S160-H162 PolarHBondContact O-N 3.33Å; H162-R164 PolarHBondContact O-N 3.37Å; H162-G165 PolarHBondContact O-N 3.04Å; H162-G165 VanDerWaalsContact O-N 3.17Å; H162-L166 WeakPolarHBondContact O-CG 3.44Å; H162-L166 PolarHBondContact O-N 3.18Å
163K96.5Very high95.5Very high105 Ų10566.1 Ų66.146%0.45731%0.308SS..Hα-helixtrans-59-46.9173.8-67.1-173.2174.6-168.20111.5F158 R159 S160 G165 L166 E167F158-K163 HydrophobicContact CB-CG 4.23Å; R159-K163 PolarHBondContact O-N 3.33Å; S160-K163 PolarHBondContact O-N 3.27Å; K163-G165 VanDerWaalsContact C-N 3.3Å; K163-G165 PolarHBondContact O-N 2.8Å; K163-L166 WeakPolarHBondContact O-CB 3.33Å; K163-L166 PolarHBondContact O-N 3.22Å; K163-L166 VanDerWaalsContact O-N 3.09Å; K163-E167 WeakPolarHBondContact O-CG 3.18Å; K163-E167 PolarHBondContact O-N 3.26Å
164R96.8Very high95.4Very high157 Ų15768.2 Ų68.259%0.59232%0.321SS*.Hα-helixtrans-58.7-40.2173.8-173.3178.2-66.6151.6-1.2112.7S160 H162 L166 E167 N168S160-R164 PolarHBondContact O-N 3.42Å; H162-R164 PolarHBondContact O-N 3.37Å; R164-L166 VanDerWaalsContact C-N 3.35Å; R164-E167 PolarHBondContact O-N 3.13Å; R164-N168 WeakPolarHBondContact O-CB 3.42Å; R164-N168 PolarHBondContact O-N 2.89Å; R164-N168 PolarHBondContact O-OD1 3.17Å
165G96.6Very high95.4Very high10 Ų1063 Ų6310%0.10330%0.302CS..Hα-helixtrans-60.7-42.5174.200000112.9M161 H162 K163 N168 Y169M161-G165 PolarHBondContact O-N 2.92Å; H162-G165 PolarHBondContact O-N 3.04Å; H162-G165 VanDerWaalsContact O-N 3.17Å; K163-G165 VanDerWaalsContact C-N 3.3Å; K163-G165 PolarHBondContact O-N 2.8Å; G165-N168 PolarHBondContact O-N 3.06Å; G165-Y169 PolarHBondContact O-N 3.45Å
166L97.8Very high95.3Very high0 Ų063.8 Ų63.80%031%0.31CS..Hα-helixtrans-67.4-41.4175.8-65.3170.1000111.8F128 T131 M135 V142 I146 F158 H162 K163 R164 Y169 F170F128-L166 HydrophobicContact CD1-CD2 4.39Å; F128-L166 HydrophobicContact CD2-CD2 3.88Å; F128-L166 HydrophobicContact CD2-CG 3.98Å; F128-L166 HydrophobicContact CE1-CD2 4.18Å; F128-L166 HydrophobicContact CE2-CD2 3.65Å; F128-L166 HydrophobicContact CE2-CG 3.59Å; F128-L166 HydrophobicContact CG-CD2 4.24Å; F128-L166 HydrophobicContact CZ-CD2 3.79Å; F128-L166 HydrophobicContact CZ-CG 4.1Å; T131-L166 HydrophobicContact CG2-CD1 3.97Å; T131-L166 HydrophobicContact CG2-CD2 3.82Å; M135-L166 HydrophobicContact SD-CD2 4.19Å; V142-L166 HydrophobicContact CG1-CB 3.72Å; V142-L166 HydrophobicContact CG1-CD1 4.21Å; V142-L166 HydrophobicContact CG2-CB 4.32Å; I146-L166 HydrophobicContact CD1-CD1 3.79Å; I146-L166 HydrophobicContact CG1-CD1 3.91Å; F158-L166 HydrophobicContact CD2-CD1 4.17Å; F158-L166 HydrophobicContact CE2-CD1 4.18Å; F158-L166 HydrophobicContact CG-CD1 4.5Å; H162-L166 WeakPolarHBondContact O-CG 3.44Å; H162-L166 PolarHBondContact O-N 3.18Å; K163-L166 WeakPolarHBondContact O-CB 3.33Å; K163-L166 PolarHBondContact O-N 3.22Å; K163-L166 VanDerWaalsContact O-N 3.09Å; R164-L166 VanDerWaalsContact C-N 3.35Å; L166-Y169 PolarHBondContact O-N 3.49Å; L166-F170 WeakPolarHBondContact O-CB 3.36Å; L166-F170 PolarHBondContact O-N 3.48Å
167E97.8Very high94.9Very high95 Ų9567.5 Ų67.544%0.44433%0.326SS..Hα-helixtrans-60-44.7174.6-70.9160.8-16600111.5V142 K163 R164 Y169 F170 K171V142-E167 HydrophobicContact CG2-CG 4.46Å; K163-E167 WeakPolarHBondContact O-CG 3.18Å; K163-E167 PolarHBondContact O-N 3.26Å; R164-E167 PolarHBondContact O-N 3.13Å; E167-Y169 VanDerWaalsContact C-N 3.34Å; E167-Y169 PolarHBondContact O-N 2.83Å; E167-F170 WeakPolarHBondContact O-CB 3.48Å; E167-F170 PolarHBondContact O-N 2.96Å; E167-K171 PolarHBondContact O-N 3.38Å
168N97.6Very high94.1Very high88 Ų8870.6 Ų70.647%0.47134%0.337SS..Hα-helixtrans-61.3-43.1175.9-71.9-10.3000111.6F95 R164 G165 K171 F172F95-N168 HydrophobicContact CZ-CB 4.17Å; R164-N168 WeakPolarHBondContact O-CB 3.42Å; R164-N168 PolarHBondContact O-N 2.89Å; R164-N168 PolarHBondContact O-OD1 3.17Å; G165-N168 PolarHBondContact O-N 3.06Å; N168-K171 PolarHBondContact O-N 2.88Å; N168-F172 PolarHBondContact O-N 3.09Å
169Y97.6Very high93.1Very high1 Ų172.8 Ų72.80%0.00436%0.355CS..Hα-helixtrans-67.2-39176.7-175-110.2000112.2F95 I98 I102 C132 M135 G165 L166 E167 K171 F172 L173F95-Y169 HydrophobicContact CD1-CD2 4.15Å; F95-Y169 HydrophobicContact CE1-CD2 4.16Å; I98-Y169 HydrophobicContact CB-CE2 4.29Å; I98-Y169 HydrophobicContact CD1-CD2 3.87Å; I98-Y169 HydrophobicContact CD1-CE2 4.33Å; I98-Y169 HydrophobicContact CD1-CG 4.22Å; I98-Y169 HydrophobicContact CG2-CD2 4.11Å; I98-Y169 HydrophobicContact CG2-CE1 4.15Å; I98-Y169 HydrophobicContact CG2-CE2 3.48Å; I98-Y169 VanDerWaalsContact CG2-CE2 3.48Å; I102-Y169 WeakPolarHBondContact CD1-OH 3.48Å; C132-Y169 HydrophobicContact CB-CD1 3.78Å; C132-Y169 HydrophobicContact CB-CE1 3.6Å; M135-Y169 HydrophobicContact CE-CD1 4.13Å; G165-Y169 PolarHBondContact O-N 3.45Å; L166-Y169 PolarHBondContact O-N 3.49Å; E167-Y169 VanDerWaalsContact C-N 3.34Å; E167-Y169 PolarHBondContact O-N 2.83Å; Y169-K171 VanDerWaalsContact C-N 3.33Å; Y169-K171 PolarHBondContact O-N 3.01Å; Y169-F172 HydrophobicContact CD2-CD1 4.21Å; Y169-F172 HydrophobicContact CE2-CD1 4.04Å; Y169-F172 HydrophobicContact CE2-CE1 4.46Å; Y169-F172 WeakPolarHBondContact O-CB 3.35Å; Y169-F172 PolarHBondContact O-N 3.17Å; Y169-L173 HydrophobicContact CD1-CD1 4.02Å; Y169-L173 HydrophobicContact CD1-CG 4.32Å; Y169-L173 HydrophobicContact CE1-CD1 3.55Å; Y169-L173 HydrophobicContact CE1-CD2 4.23Å; Y169-L173 HydrophobicContact CE1-CG 3.9Å; Y169-L173 HydrophobicContact CE2-CD2 4.44Å; Y169-L173 HydrophobicContact CE2-CG 4.49Å; Y169-L173 WeakPolarHBondContact O-CG 3.49Å; Y169-L173 PolarHBondContact O-N 3.05Å
170F97.4Very high92.2Very high78 Ų7871.1 Ų71.134%0.34235%0.354SS..Hα-helixtrans-60.1-43.2174.5-175.4-106000112.1M135 V142 L166 E167 L173 T174M135-F170 HydrophobicContact CE-CB 3.45Å; M135-F170 VanDerWaalsContact CE-CB 3.45Å; M135-F170 HydrophobicContact CE-CD2 3.78Å; M135-F170 HydrophobicContact CE-CG 4.09Å; V142-F170 HydrophobicContact CG2-CB 3.68Å; V142-F170 HydrophobicContact CG2-CD2 4.45Å; V142-F170 HydrophobicContact CG2-CG 4.04Å; L166-F170 WeakPolarHBondContact O-CB 3.36Å; L166-F170 PolarHBondContact O-N 3.48Å; E167-F170 WeakPolarHBondContact O-CB 3.48Å; E167-F170 PolarHBondContact O-N 2.96Å; F170-L173 PolarHBondContact O-N 3.48Å; F170-T174 PolarHBondContact O-N 3.43Å; F170-T174 PolarHBondContact O-OG1 2.87Å
171K96.8Very high91Very high133 Ų13372.5 Ų72.558%0.57835%0.354SS*.Hα-helixtrans-61.3-47.8175-175.1179.9176.5-176.90111E167 N168 Y169 L173 T174 D175E167-K171 PolarHBondContact O-N 3.38Å; N168-K171 PolarHBondContact O-N 2.88Å; Y169-K171 VanDerWaalsContact C-N 3.33Å; Y169-K171 PolarHBondContact O-N 3.01Å; K171-L173 VanDerWaalsContact C-N 3.33Å; K171-L173 PolarHBondContact O-N 2.96Å; K171-T174 WeakPolarHBondContact O-CB 3.44Å; K171-T174 PolarHBondContact O-N 3.46Å; K171-D175 VanDerWaalsContact O-CG 3.31Å; K171-D175 PolarHBondContact O-N 3.34Å
172F95.7Very high89.8Confident73 Ų7375.2 Ų75.232%0.3237%0.374SS..Hα-helixtrans-53.6-48.2175.4171.6-100.7000112.1F95 N168 Y169 T174 D175 S176F95-F172 HydrophobicContact CD2-CD2 4.33Å; F95-F172 HydrophobicContact CD2-CG 4.39Å; F95-F172 HydrophobicContact CE2-CB 4.04Å; F95-F172 HydrophobicContact CE2-CD2 4.25Å; F95-F172 HydrophobicContact CE2-CG 4.18Å; F95-F172 HydrophobicContact CZ-CB 4.19Å; N168-F172 PolarHBondContact O-N 3.09Å; Y169-F172 HydrophobicContact CD2-CD1 4.21Å; Y169-F172 HydrophobicContact CE2-CD1 4.04Å; Y169-F172 HydrophobicContact CE2-CE1 4.46Å; Y169-F172 WeakPolarHBondContact O-CB 3.35Å; Y169-F172 PolarHBondContact O-N 3.17Å; F172-T174 VanDerWaalsContact C-N 3.29Å; F172-T174 PolarHBondContact O-N 3.27Å; F172-D175 PolarHBondContact O-N 2.99Å; F172-S176 PolarHBondContact O-N 3.28Å; F172-S176 PolarHBondContact O-OG 2.88Å; F172-S176 VanDerWaalsContact O-OG 3.08Å
173L94.6Very high88.3Confident20 Ų2080.9 Ų80.911%0.10541%0.409CS..Hα-helixtrans-60.1-37.4176.2-70.2179.9000113.3M135 Y136 Y169 F170 K171 K177M135-L173 HydrophobicContact CB-CD1 4.15Å; Y136-L173 HydrophobicContact CD2-CD2 3.86Å; Y169-L173 HydrophobicContact CD1-CD1 4.02Å; Y169-L173 HydrophobicContact CD1-CG 4.32Å; Y169-L173 HydrophobicContact CE1-CD1 3.55Å; Y169-L173 HydrophobicContact CE1-CD2 4.23Å; Y169-L173 HydrophobicContact CE1-CG 3.9Å; Y169-L173 HydrophobicContact CE2-CD2 4.44Å; Y169-L173 HydrophobicContact CE2-CG 4.49Å; Y169-L173 WeakPolarHBondContact O-CG 3.49Å; Y169-L173 PolarHBondContact O-N 3.05Å; F170-L173 PolarHBondContact O-N 3.48Å; K171-L173 VanDerWaalsContact C-N 3.33Å; K171-L173 PolarHBondContact O-N 2.96Å; L173-K177 WeakPolarHBondContact O-CG 3.36Å; L173-K177 PolarHBondContact O-N 3.05Å
174T93.3Very high86.3Confident48 Ų4883.2 Ų83.229%0.29444%0.438SS..Hα-helixtrans-69.6-43.9179.5-56.70000111F170 K171 F172 K177 Q178F170-T174 PolarHBondContact O-N 3.43Å; F170-T174 PolarHBondContact O-OG1 2.87Å; K171-T174 WeakPolarHBondContact O-CB 3.44Å; K171-T174 PolarHBondContact O-N 3.46Å; F172-T174 VanDerWaalsContact C-N 3.29Å; F172-T174 PolarHBondContact O-N 3.27Å; T174-K177 PolarHBondContact O-N 2.65Å; T174-Q178 WeakPolarHBondContact O-CG 3.44Å; T174-Q178 PolarHBondContact O-N 2.92Å; T174-Q178 VanDerWaalsContact O-N 3.15Å
175D93.4Very high85.8Confident78 Ų7879.5 Ų79.542%0.41743%0.431SS..Hα-helixtrans-64.7-40.8178.5-64-14.3000110.7K171 F172 Q178 S179K171-D175 VanDerWaalsContact O-CG 3.31Å; K171-D175 PolarHBondContact O-N 3.34Å; F172-D175 PolarHBondContact O-N 2.99Å; D175-Q178 PolarHBondContact O-N 3.24Å; D175-S179 PolarHBondContact O-N 3.09Å; D175-S179 VanDerWaalsContact O-N 3.15Å
176S89Confident85.2Confident40 Ų4083.2 Ų83.228%0.2845%0.448SS..Hα-helixtrans-62.3-45.2175.4-60.10000112.7F172 Q178 S179 E180F172-S176 PolarHBondContact O-N 3.28Å; F172-S176 PolarHBondContact O-OG 2.88Å; F172-S176 VanDerWaalsContact O-OG 3.08Å; S176-Q178 VanDerWaalsContact C-N 3.29Å; S176-Q178 PolarHBondContact O-N 3.37Å; S176-S179 PolarHBondContact O-N 2.97Å; S176-S179 VanDerWaalsContact O-N 3.13Å; S176-S179 PolarHBondContact O-OG 3.38Å; S176-E180 PolarHBondContact O-N 3.31Å; S176-E180 VanDerWaalsContact O-N 3.14Å
177K85.6Confident84.5Confident91 Ų9187.8 Ų87.840%0.39647%0.473SS..Hα-helixtrans-62.4-35.4177.3-75.6178.3178.7-176.90112.9S139 L173 T174 S179 N181S139-K177 PolarHBondContact OG-NZ 3.16Å; L173-K177 WeakPolarHBondContact O-CG 3.36Å; L173-K177 PolarHBondContact O-N 3.05Å; T174-K177 PolarHBondContact O-N 2.65Å; K177-S179 VanDerWaalsContact C-N 3.35Å; K177-N181 PolarHBondContact O-N 2.61Å; K177-N181 PolarHBondContact O-ND2 3.34Å
178Q77.3Confident83.7Confident119 Ų11987.4 Ų87.456%0.55647%0.474SS*.Hα-helixtrans-66.6-38.9175.6-71.5178.47.400111.3T174 D175 S176 N181 V182T174-Q178 WeakPolarHBondContact O-CG 3.44Å; T174-Q178 PolarHBondContact O-N 2.92Å; T174-Q178 VanDerWaalsContact O-N 3.15Å; D175-Q178 PolarHBondContact O-N 3.24Å; S176-Q178 VanDerWaalsContact C-N 3.29Å; S176-Q178 PolarHBondContact O-N 3.37Å; Q178-N181 PolarHBondContact O-N 2.96Å; Q178-V182 VanDerWaalsContact O-CG2 3.32Å; Q178-V182 WeakPolarHBondContact O-CG2 2.84Å; Q178-V182 PolarHBondContact O-N 3.15Å
179S73.4Confident82.8Confident70 Ų7087.3 Ų87.349%0.4948%0.475SS..Hα-helixtrans-66.3-36.7177.672.30000113.6D175 S176 K177 V182 T183D175-S179 PolarHBondContact O-N 3.09Å; D175-S179 VanDerWaalsContact O-N 3.15Å; S176-S179 PolarHBondContact O-N 2.97Å; S176-S179 VanDerWaalsContact O-N 3.13Å; S176-S179 PolarHBondContact O-OG 3.38Å; K177-S179 VanDerWaalsContact C-N 3.35Å; S179-V182 PolarHBondContact O-N 3.21Å; S179-T183 PolarHBondContact O-N 2.85Å; S179-T183 PolarHBondContact O-OG1 2.95Å
180E75.3Confident81.9Confident120 Ų12093.1 Ų93.156%0.56151%0.506SS*.Hα-helixtrans-67.3-38.9175.5-69.3177.4175.300112.1S176 V182 T183 S184S176-E180 PolarHBondContact O-N 3.31Å; S176-E180 VanDerWaalsContact O-N 3.14Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 3.06Å; E180-T183 PolarHBondContact O-N 3.4Å; E180-T183 PolarHBondContact O-OG1 3.35Å; E180-S184 PolarHBondContact O-N 2.91Å; E180-S184 PolarHBondContact O-OG 3.45Å; E180-S184 VanDerWaalsContact O-OG 3.05Å
181N68.8Low80.8Confident125 Ų12594.1 Ų94.167%0.66852%0.518SS*.Hα-helixtrans-72.7-22.2178.5-72.9-22.4000114.1K177 Q178K177-N181 PolarHBondContact O-N 2.61Å; K177-N181 PolarHBondContact O-ND2 3.34Å; Q178-N181 PolarHBondContact O-N 2.96Å
182V67.8Low79.5Confident126 Ų12691.2 Ų91.276%0.76451%0.513SS*.Hα-helixtrans-82.8-20.6176.2173.70000111.6Q178 S179 E180Q178-V182 VanDerWaalsContact O-CG2 3.32Å; Q178-V182 WeakPolarHBondContact O-CG2 2.84Å; Q178-V182 PolarHBondContact O-N 3.15Å; S179-V182 PolarHBondContact O-N 3.21Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 3.06Å
183T64.5Low78.2Confident121 Ų12192.7 Ų92.774%0.74253%0.529SS*.Hα-helixtrans-100.2-4.3-17745.70000114.1S179 E180S179-T183 PolarHBondContact O-N 2.85Å; S179-T183 PolarHBondContact O-OG1 2.95Å; E180-T183 PolarHBondContact O-N 3.4Å; E180-T183 PolarHBondContact O-OG1 3.35Å
184S55Low76.7Confident154 Ų15499.3 Ų99.3100%1.07757%0.568SS**  trans-98.30172.9-56.10000111E180E180-S184 PolarHBondContact O-N 2.91Å; E180-S184 PolarHBondContact O-OG 3.45Å; E180-S184 VanDerWaalsContact O-OG 3.05Å

Retrieved 184 of 184 residues in 130.3 ms (Link to these results)

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