A0A096M4L8_POEFO Loading...

Small ribosomal subunit protein uS2

Required for the assembly and/or stability of the 40S ribosomal subunit. Required for the processing of the 20S rRNA-precursor to mature 18S rRNA in a late step of the maturation of 40S ribosomal subunits. Also functions as a cell surface receptor for laminin. Plays a role in cell adhesion to the basement membrane and in the consequent activation of signaling transduction pathways. May play a role in cell fate determination and tissue morphogenesis.

AlphaFold DB , UniProt , Accession A0A096M4L8, Species POEFO (Poecilia formosa, Amazon molly), Gene RPSA, Length 307 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low75.9Confident170 Ų17081.5 Ų81.584%0.83747%0.471SS*.  0111.90-53.6-55.8-91.300108.4G3 E56M1-G3 PolarHBondContact O-N 2.76Å; M1-E56 WeakPolarHBondContact CA-OE2 3.44Å; M1-E56 PolarHBondContact N-OE2 3.17Å
2S56.4Low77.3Confident22 Ų2287.8 Ų87.815%0.15449%0.493CS..  trans-60.318.8179.748.20000115.2G4 R63S2-G4 PolarHBondContact O-N 3.4Å; S2-R63 PolarHBondContact O-NH2 3.23Å
3G60.6Low78.4Confident46 Ų4691.4 Ų91.447%0.47450%0.503SS..THydrogen-bonded Turntrans73.3-0.8-176.300000114.5M1 L5M1-G3 PolarHBondContact O-N 2.76Å; G3-L5 PolarHBondContact O-N 2.99Å
4G71.7Confident79.5Confident65 Ų6585.1 Ų85.167%0.6747%0.469SS*.THydrogen-bonded Turntrans64.214.6-174.500000113.5S2S2-G4 PolarHBondContact O-N 3.4Å
5L81.4Confident80.5Confident97 Ų9782.5 Ų82.551%0.50846%0.456SS..  trans-85.1123.1-179.2-64.4171.7000109.2G3 V7 L8 Q9G3-L5 PolarHBondContact O-N 2.99Å; L5-V7 PolarHBondContact O-N 3.1Å; L5-L8 HydrophobicContact CB-CB 4.36Å; L5-L8 HydrophobicContact CB-CD1 4.34Å; L5-L8 HydrophobicContact CB-CG 4.2Å; L5-L8 HydrophobicContact CD1-CD1 3.89Å; L5-L8 HydrophobicContact CD1-CG 4.44Å; L5-L8 PolarHBondContact O-N 3.28Å; L5-Q9 PolarHBondContact O-N 3.39Å
6D79.9Confident81.4Confident124 Ų12483.8 Ų83.866%0.66346%0.461SS*.G310 helixtrans-58.2-35-179.9-71.7-10.9000112.5L8 Q9D6-L8 PolarHBondContact O-N 2.93Å; D6-Q9 WeakPolarHBondContact O-CB 3.47Å; D6-Q9 PolarHBondContact O-N 3.33Å; D6-Q9 VanDerWaalsContact O-N 3.1Å; D6-Q9 PolarHBondContact OD1-NE2 3.36Å
7V82.8Confident82.2Confident102 Ų10282.1 Ų82.162%0.61845%0.448SS*.G310 helixtrans-64.9-23.4177.9-176.10000113.1L5L5-V7 PolarHBondContact O-N 3.1Å
8L85Confident83Confident18 Ų1877.6 Ų77.69%0.09442%0.424CS..G310 helixtrans-101.45.3178.6-59.9-175.5000112.7L5 D6 W55 L59 R63L5-L8 HydrophobicContact CB-CB 4.36Å; L5-L8 HydrophobicContact CB-CD1 4.34Å; L5-L8 HydrophobicContact CB-CG 4.2Å; L5-L8 HydrophobicContact CD1-CD1 3.89Å; L5-L8 HydrophobicContact CD1-CG 4.44Å; L5-L8 PolarHBondContact O-N 3.28Å; D6-L8 PolarHBondContact O-N 2.93Å; L8-W55 PolarHBondContact O-NE1 3.22Å; L8-L59 HydrophobicContact CB-CD1 4.17Å; L8-L59 WeakPolarHBondContact O-CD1 3.35Å; L8-R63 VanDerWaalsContact CD1-NH2 3.25Å
9Q88.7Confident83.6Confident107 Ų10777.7 Ų77.750%0.542%0.423SS..SBendtrans-65.4154.9175.8-71.9-174.112.100111.3L5 D6 K11L5-Q9 PolarHBondContact O-N 3.39Å; D6-Q9 WeakPolarHBondContact O-CB 3.47Å; D6-Q9 PolarHBondContact O-N 3.33Å; D6-Q9 VanDerWaalsContact O-N 3.1Å; D6-Q9 PolarHBondContact OD1-NE2 3.36Å; Q9-K11 PolarHBondContact O-N 2.74Å
10M88.2Confident84.2Confident51 Ų5178.5 Ų78.525%0.25144%0.44SS..PPolyproline II helixtrans-68120.8178-166.5-178.8-176.200109V15 F18 L51 W55M10-V15 HydrophobicContact CE-CB 4.13Å; M10-V15 HydrophobicContact CE-CG2 3.44Å; M10-V15 VanDerWaalsContact CE-CG2 3.44Å; M10-V15 HydrophobicContact CG-CG2 3.86Å; M10-V15 HydrophobicContact SD-CG2 3.72Å; M10-F18 HydrophobicContact CE-CD2 3.26Å; M10-F18 HydrophobicContact CE-CE2 3.55Å; M10-F18 HydrophobicContact CE-CG 4.38Å; M10-L51 HydrophobicContact CE-CB 4.04Å; M10-W55 HydrophobicContact CB-CD2 4.36Å; M10-W55 HydrophobicContact CB-CG 3.99Å; M10-W55 HydrophobicContact CG-CB 4.37Å; M10-W55 HydrophobicContact CG-CD2 4.23Å; M10-W55 HydrophobicContact CG-CG 4.05Å; M10-W55 HydrophobicContact SD-CB 4.17Å; M10-W55 HydrophobicContact SD-CG 4.47Å
11K90.9Very high84.7Confident94 Ų9475.5 Ų75.541%0.40943%0.426SS..PPolyproline II helixtrans-82.9152.5178.1-64.6-173.5177.7-172.60111.2Q9 E13 D14 V15Q9-K11 PolarHBondContact O-N 2.74Å; K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 PolarHBondContact O-N 3.18Å; K11-D14 WeakPolarHBondContact O-CB 3.21Å; K11-D14 PolarHBondContact O-N 2.98Å; K11-V15 WeakPolarHBondContact O-CG2 3.38Å; K11-V15 PolarHBondContact O-N 3.09Å; K11-V15 VanDerWaalsContact O-N 3.13Å
12E92.2Very high86.9Confident157 Ų15768 Ų6873%0.73439%0.392SS*.Hα-helixtrans-57-44.1179.1-174.3175.417900112.4D14 V15 L16E12-D14 PolarHBondContact O-N 3.18Å; E12-V15 WeakPolarHBondContact O-CB 3.49Å; E12-V15 PolarHBondContact O-N 3.13Å; E12-V15 VanDerWaalsContact O-N 3.09Å; E12-L16 WeakPolarHBondContact O-CG 3.42Å; E12-L16 PolarHBondContact O-N 3.05Å
13E92.2Very high88.7Confident135 Ų13567.1 Ų67.163%0.63139%0.386SS*.Hα-helixtrans-59-30.1176.9-62175.4-165.700113.6K11 K17K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 PolarHBondContact O-N 3.18Å; E13-K17 VanDerWaalsContact O-CG 3.3Å; E13-K17 WeakPolarHBondContact O-CG 3.5Å; E13-K17 PolarHBondContact O-N 3.2Å; E13-K17 PolarHBondContact O-NZ 2.79Å
14D93.1Very high90.4Very high4 Ų466.9 Ų66.92%0.02137%0.372CS..Hα-helixtrans-80.8-35.9178.7-71.3-23.6000110.5K11 E12 K17 F18 M177 R180K11-D14 WeakPolarHBondContact O-CB 3.21Å; K11-D14 PolarHBondContact O-N 2.98Å; E12-D14 PolarHBondContact O-N 3.18Å; D14-K17 WeakPolarHBondContact O-CB 3.48Å; D14-K17 PolarHBondContact O-N 3Å; D14-K17 IonicContact OD1-NZ 3.58Å; D14-K17 PolarHBondContact OD1-NZ 2.9Å; D14-F18 HydrophobicContact CB-CE2 4.49Å; D14-F18 WeakPolarHBondContact O-CD2 3.37Å; D14-F18 WeakPolarHBondContact O-CG 3.38Å; D14-F18 PolarHBondContact O-N 3.47Å; D14-M177 HydrophobicContact CB-CE 3.61Å; D14-M177 VanDerWaalsContact CG-CE 3.5Å; D14-R180 IonicContact OD1-CZ 3.48Å; D14-R180 IonicContact OD1-NH1 3.77Å; D14-R180 PolarHBondContact OD1-NH1 2.99Å; D14-R180 IonicContact OD1-NH2 2.78Å; D14-R180 PolarHBondContact OD1-NH2 3.04Å; D14-R180 IonicContact OD2-CZ 3.52Å; D14-R180 IonicContact OD2-NH1 3.58Å; D14-R180 IonicContact OD2-NH2 3.47Å; D14-R180 PolarHBondContact OD2-NH2 3.48Å
15V94.5Very high91.5Very high45 Ų4566.1 Ų66.127%0.27335%0.353SS..Hα-helixtrans-59.9-46.5171.8-178.80000110.6M10 K11 E12 K17 F18 L19 L51M10-V15 HydrophobicContact CE-CB 4.13Å; M10-V15 HydrophobicContact CE-CG2 3.44Å; M10-V15 VanDerWaalsContact CE-CG2 3.44Å; M10-V15 HydrophobicContact CG-CG2 3.86Å; M10-V15 HydrophobicContact SD-CG2 3.72Å; K11-V15 WeakPolarHBondContact O-CG2 3.38Å; K11-V15 PolarHBondContact O-N 3.09Å; K11-V15 VanDerWaalsContact O-N 3.13Å; E12-V15 WeakPolarHBondContact O-CB 3.49Å; E12-V15 PolarHBondContact O-N 3.13Å; E12-V15 VanDerWaalsContact O-N 3.09Å; V15-K17 VanDerWaalsContact C-N 3.31Å; V15-K17 PolarHBondContact O-N 2.58Å; V15-F18 WeakPolarHBondContact O-CB 3.49Å; V15-F18 PolarHBondContact O-N 3.37Å; V15-F18 VanDerWaalsContact O-N 3.14Å; V15-L19 HydrophobicContact CG1-CD1 4.01Å; V15-L19 HydrophobicContact CG1-CG 4.31Å; V15-L19 WeakPolarHBondContact O-CG 3.49Å; V15-L19 PolarHBondContact O-N 2.76Å; V15-L51 HydrophobicContact CG1-CD1 4.47Å
16L95.7Very high92.1Very high103 Ų10362.1 Ų62.154%0.53933%0.334SS..Hα-helixtrans-59.6-43.6179-70173.9000111.7E12 F18 L19 A20E12-L16 WeakPolarHBondContact O-CG 3.42Å; E12-L16 PolarHBondContact O-N 3.05Å; L16-F18 PolarHBondContact O-N 2.76Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-A20 WeakPolarHBondContact O-CB 3.2Å; L16-A20 PolarHBondContact O-N 2.78Å
17K95.3Very high92.8Very high56 Ų5656.5 Ų56.524%0.24331%0.306CS..Hα-helixtrans-58.2-45.6173.5-79.1-174.6-154.483.60112.1E13 D14 V15 L19 A20 A21 L173 W176E13-K17 VanDerWaalsContact O-CG 3.3Å; E13-K17 WeakPolarHBondContact O-CG 3.5Å; E13-K17 PolarHBondContact O-N 3.2Å; E13-K17 PolarHBondContact O-NZ 2.79Å; D14-K17 WeakPolarHBondContact O-CB 3.48Å; D14-K17 PolarHBondContact O-N 3Å; D14-K17 IonicContact OD1-NZ 3.58Å; D14-K17 PolarHBondContact OD1-NZ 2.9Å; V15-K17 VanDerWaalsContact C-N 3.31Å; V15-K17 PolarHBondContact O-N 2.58Å; K17-L19 PolarHBondContact O-N 3Å; K17-A20 PolarHBondContact O-N 3.14Å; K17-A21 WeakPolarHBondContact O-CB 3.3Å; K17-A21 PolarHBondContact O-N 2.8Å; K17-L173 HydrophobicContact CB-CD1 4.03Å; K17-L173 WeakPolarHBondContact O-CD1 3.25Å; K17-W176 HydrophobicContact CD-CZ3 4.2Å
18F95.6Very high93.3Very high1 Ų157.4 Ų57.40%0.00431%0.305CS..Hα-helixtrans-62.7-39.3176.4-76-54000113.4M10 D14 V15 L16 G22 T23 L51 W55 L173 M174 M177M10-F18 HydrophobicContact CE-CD2 3.26Å; M10-F18 HydrophobicContact CE-CE2 3.55Å; M10-F18 HydrophobicContact CE-CG 4.38Å; D14-F18 HydrophobicContact CB-CE2 4.49Å; D14-F18 WeakPolarHBondContact O-CD2 3.37Å; D14-F18 WeakPolarHBondContact O-CG 3.38Å; D14-F18 PolarHBondContact O-N 3.47Å; V15-F18 WeakPolarHBondContact O-CB 3.49Å; V15-F18 PolarHBondContact O-N 3.37Å; V15-F18 VanDerWaalsContact O-N 3.14Å; L16-F18 PolarHBondContact O-N 2.76Å; F18-G22 PolarHBondContact O-N 3.22Å; F18-T23 VanDerWaalsContact C-OG1 3.31Å; F18-T23 WeakPolarHBondContact CA-OG1 3.5Å; F18-T23 VanDerWaalsContact CB-OG1 3.23Å; F18-T23 WeakPolarHBondContact CB-OG1 3.45Å; F18-T23 HydrophobicContact CD1-CG2 3.86Å; F18-T23 WeakPolarHBondContact CD1-OG1 2.98Å; F18-T23 PolarHBondContact O-N 2.76Å; F18-T23 PolarHBondContact O-OG1 3Å; F18-L51 HydrophobicContact CB-CD1 4.12Å; F18-L51 HydrophobicContact CB-CD2 3.99Å; F18-L51 HydrophobicContact CG-CD2 4.27Å; F18-W55 HydrophobicContact CE2-CE3 4.14Å; F18-W55 HydrophobicContact CZ-CE3 4.25Å; F18-L173 HydrophobicContact CD1-CD2 3.59Å; F18-L173 HydrophobicContact CE1-CD2 3.52Å; F18-L173 HydrophobicContact CZ-CD2 4.43Å; F18-M174 HydrophobicContact CD1-SD 4.34Å; F18-M174 HydrophobicContact CE1-SD 3.65Å; F18-M177 HydrophobicContact CE1-CE 4.39Å; F18-M177 HydrophobicContact CE1-CG 4.44Å; F18-M177 HydrophobicContact CE2-CE 3.66Å; F18-M177 HydrophobicContact CZ-CE 3.53Å; F18-M177 HydrophobicContact CZ-CG 4.29Å
19L95.3Very high93.7Very high80 Ų8062.1 Ų62.142%0.41933%0.33SS..Hα-helixtrans-69.2-46.5178-68.3174.9000111.2V15 L16 K17 A21 G22 L51V15-L19 HydrophobicContact CG1-CD1 4.01Å; V15-L19 HydrophobicContact CG1-CG 4.31Å; V15-L19 WeakPolarHBondContact O-CG 3.49Å; V15-L19 PolarHBondContact O-N 2.76Å; L16-L19 PolarHBondContact O-N 3.47Å; K17-L19 PolarHBondContact O-N 3Å; L19-A21 PolarHBondContact O-N 2.99Å; L19-G22 PolarHBondContact O-N 3.48Å; L19-G22 VanDerWaalsContact O-N 3.1Å; L19-L51 HydrophobicContact CD2-CD1 4.07Å; L19-L51 HydrophobicContact CG-CD1 4.46Å
20A95.6Very high94Very high92 Ų9259.5 Ų59.576%0.7632%0.319SS*.Hα-helixtrans-60.6-42.2178.800000112.3L16 K17 G22L16-A20 WeakPolarHBondContact O-CB 3.2Å; L16-A20 PolarHBondContact O-N 2.78Å; K17-A20 PolarHBondContact O-N 3.14Å; A20-G22 PolarHBondContact O-N 3.3Å
21A94.4Very high94.4Very high17 Ų1758.9 Ų58.914%0.1432%0.317CS..THydrogen-bonded Turntrans-77.5-2.3178.100000114.3K17 L19 T23 H169 L173K17-A21 WeakPolarHBondContact O-CB 3.3Å; K17-A21 PolarHBondContact O-N 2.8Å; L19-A21 PolarHBondContact O-N 2.99Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 HydrophobicContact CB-CG2 3.95Å; A21-T23 PolarHBondContact O-N 3.37Å; A21-H169 HydrophobicContact CB-CB 4.14Å; A21-L173 HydrophobicContact CB-CB 4.37Å; A21-L173 HydrophobicContact CB-CD1 3.51Å
22G95.1Very high94.6Very high13 Ų1361.6 Ų61.613%0.13433%0.329CS..THydrogen-bonded Turntrans68.425.9179.700000114.3F18 L19 A20 H24 L25 N164F18-G22 PolarHBondContact O-N 3.22Å; L19-G22 PolarHBondContact O-N 3.48Å; L19-G22 VanDerWaalsContact O-N 3.1Å; A20-G22 PolarHBondContact O-N 3.3Å; G22-H24 VanDerWaalsContact C-N 3.26Å; G22-H24 PolarHBondContact O-N 3.37Å; G22-L25 PolarHBondContact O-N 3.39Å; G22-N164 PolarHBondContact O-ND2 3.36Å; G22-N164 VanDerWaalsContact O-ND2 3.17Å
23T95.4Very high94.7Very high2 Ų258.1 Ų58.11%0.01231%0.313CS..THydrogen-bonded Turntrans-68.1-24.8-175.961.40000113.7F18 A21 L25 N164 S170 L173F18-T23 VanDerWaalsContact C-OG1 3.31Å; F18-T23 WeakPolarHBondContact CA-OG1 3.5Å; F18-T23 VanDerWaalsContact CB-OG1 3.23Å; F18-T23 WeakPolarHBondContact CB-OG1 3.45Å; F18-T23 HydrophobicContact CD1-CG2 3.86Å; F18-T23 WeakPolarHBondContact CD1-OG1 2.98Å; F18-T23 PolarHBondContact O-N 2.76Å; F18-T23 PolarHBondContact O-OG1 3Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 HydrophobicContact CB-CG2 3.95Å; A21-T23 PolarHBondContact O-N 3.37Å; T23-L25 VanDerWaalsContact C-N 3.29Å; T23-L25 PolarHBondContact O-N 3.4Å; T23-N164 PolarHBondContact O-N 2.93Å; T23-S170 WeakPolarHBondContact CG2-OG 3.09Å; T23-L173 HydrophobicContact CG2-CD2 4.43Å
24H95.3Very high94.8Very high42 Ų4251.8 Ų51.819%0.19428%0.283CS..THydrogen-bonded Turntrans-76.5-13.1178.465.3-79.4000113.3G22 I48 I49 L51G22-H24 VanDerWaalsContact C-N 3.26Å; G22-H24 PolarHBondContact O-N 3.37Å; H24-I48 CarbonylContact O-C 3.59Å; H24-I48 WeakPolarHBondContact O-CA 3.35Å; H24-I49 PolarHBondContact O-N 3.14Å; H24-L51 HydrophobicContact CB-CD1 4.36Å; H24-L51 HydrophobicContact CB-CD2 4.02Å; H24-L51 HydrophobicContact CB-CG 4.15Å
25L95.4Very high94.9Very high49 Ų4957.9 Ų57.926%0.25731%0.312SS..BIsolated β-bridgetrans-88.5112.6-179.8-59.9174.5000109.7G22 T23 N164G22-L25 PolarHBondContact O-N 3.39Å; T23-L25 VanDerWaalsContact C-N 3.29Å; T23-L25 PolarHBondContact O-N 3.4Å; L25-N164 WeakPolarHBondContact O-CB 3.5Å; L25-N164 PolarHBondContact O-ND2 3.05Å
26G94.3Very high94.9Very high12 Ų1260.9 Ų60.912%0.12432%0.323CS..  trans-85.5-162176.100000113.5I46 Y47 N149G26-I46 WeakPolarHBondContact O-CG2 3.47Å; G26-Y47 VanDerWaalsContact CA-O 3.32Å; G26-Y47 WeakPolarHBondContact CA-O 3.45Å; G26-Y47 PolarHBondContact N-O 3.16Å; G26-N149 WeakPolarHBondContact CA-OD1 3.4Å
27G93Very high94.9Very high6 Ų656.7 Ų56.76%0.06230%0.3CS..  trans-83.4179170.600000113.6Y47 N149 T150G27-Y47 WeakPolarHBondContact O-CD2 3.23Å; G27-Y47 PolarHBondContact O-N 2.87Å; G27-N149 PolarHBondContact N-OD1 3.2Å; G27-T150 WeakPolarHBondContact CA-OG1 3.27Å; G27-T150 PolarHBondContact N-OG1 3.19Å
28M93.9Very high94.9Very high121 Ų12155.3 Ų55.360%0.59630%0.296SS*.SBendtrans-80.8-24.9172.4-61.3178.178.900112.7Y47M28-Y47 WeakPolarHBondContact O-CE2 3.34Å
29N94.1Very high94.9Very high117 Ų11762.9 Ų62.963%0.62633%0.326SS*.SBendtrans-102.5152.1178.5-63.5-22000109.7T150 D151N29-T150 CarbonylContact O-C 3.46Å; N29-T150 WeakPolarHBondContact O-CB 3.46Å; N29-T150 PolarHBondContact O-OG1 3.46Å; N29-D151 HydrophobicContact CB-CB 4.14Å
30L94.9Very high94.8Very high53 Ų5364.8 Ų64.828%0.27733%0.33SS..  trans-126.9124.8179.6-179.660.8000109.2M34 E35 V38 Y47 T150L30-M34 HydrophobicContact CD1-CB 4.03Å; L30-E35 HydrophobicContact CD2-CB 4.15Å; L30-E35 HydrophobicContact CD2-CG 4.25Å; L30-V38 HydrophobicContact CD1-CG2 3.48Å; L30-V38 VanDerWaalsContact CD1-CG2 3.48Å; L30-V38 HydrophobicContact CD2-CG2 4.42Å; L30-Y47 HydrophobicContact CB-CD2 4.01Å; L30-Y47 HydrophobicContact CB-CE1 4.47Å; L30-Y47 HydrophobicContact CB-CE2 3.61Å; L30-Y47 HydrophobicContact CD2-CD1 4.49Å; L30-Y47 HydrophobicContact CD2-CE1 4.13Å; L30-T150 CarbonylContact C-O 3.57Å; L30-T150 WeakPolarHBondContact CA-O 3.2Å; L30-T150 HydrophobicContact CD1-CG2 4.46Å
31D95.7Very high94.8Very high38 Ų3867.3 Ų67.320%0.20332%0.32CS..  trans-75.9144.2166-176.755.3000110.3Q33 M34 E35 T150D31-Q33 VanDerWaalsContact C-N 3.27Å; D31-Q33 PolarHBondContact O-N 2.8Å; D31-Q33 PolarHBondContact OD2-N 2.9Å; D31-M34 HydrophobicContact CB-CB 4.22Å; D31-M34 HydrophobicContact CB-CG 4.16Å; D31-M34 PolarHBondContact O-N 3.39Å; D31-E35 PolarHBondContact O-N 3.13Å; D31-T150 PolarHBondContact N-O 3.04Å
32F94.8Very high94.8Very high151 Ų15170.4 Ų70.466%0.66233%0.331SS*.THydrogen-bonded Turntrans-62.8-33.3-173.574.3-78.6000112.6M34 E35F32-M34 VanDerWaalsContact C-N 3.34Å; F32-E35 WeakPolarHBondContact O-CB 3.37Å
33Q94.6Very high94.8Very high84 Ų8475.2 Ų75.239%0.39336%0.362SS..THydrogen-bonded Turntrans-78.9-22.5178.3-60.8-172.7-20.600112.4D31 E35 Q36 L154D31-Q33 VanDerWaalsContact C-N 3.27Å; D31-Q33 PolarHBondContact O-N 2.8Å; D31-Q33 PolarHBondContact OD2-N 2.9Å; Q33-E35 VanDerWaalsContact C-N 3.35Å; Q33-Q36 WeakPolarHBondContact O-CG 3.4Å; Q33-Q36 PolarHBondContact O-NE2 3.26Å; Q33-Q36 VanDerWaalsContact O-NE2 3.15Å; Q33-L154 HydrophobicContact CB-CB 4.46Å; Q33-L154 HydrophobicContact CB-CD1 3.65Å; Q33-L154 HydrophobicContact CB-CG 4.43Å
34M95.7Very high94.6Very high2 Ų279.9 Ų79.91%0.0139%0.387CS..THydrogen-bonded Turntrans-82-12.4177.9-71.9-61-66.700113.1L30 D31 F32 Q36 Y37 C148 N149 L154 P162L30-M34 HydrophobicContact CD1-CB 4.03Å; D31-M34 HydrophobicContact CB-CB 4.22Å; D31-M34 HydrophobicContact CB-CG 4.16Å; D31-M34 PolarHBondContact O-N 3.39Å; F32-M34 VanDerWaalsContact C-N 3.34Å; M34-Q36 PolarHBondContact O-N 3.46Å; M34-Q36 VanDerWaalsContact O-N 3.16Å; M34-Y37 HydrophobicContact CE-CD2 3.75Å; M34-Y37 HydrophobicContact CE-CG 4.43Å; M34-Y37 PolarHBondContact O-N 3.14Å; M34-Y37 HydrophobicContact SD-CD2 3.64Å; M34-Y37 HydrophobicContact SD-CE2 4.03Å; M34-C148 HydrophobicContact CE-CB 4.01Å; M34-C148 HydrophobicContact SD-CB 4.14Å; M34-N149 WeakPolarHBondContact CE-O 3.3Å; M34-L154 HydrophobicContact CG-CD1 4.04Å; M34-L154 HydrophobicContact CG-CG 4.19Å; M34-L154 HydrophobicContact SD-CD1 3.53Å; M34-L154 VanDerWaalsContact SD-CD1 3.53Å; M34-L154 HydrophobicContact SD-CD2 3.86Å; M34-L154 HydrophobicContact SD-CG 3.87Å; M34-P162 HydrophobicContact CE-CB 4.01Å
35E93.8Very high94.4Very high131 Ų13178.3 Ų78.361%0.61238%0.382SS*.G310 helixtrans-52.2-38.7177.8-175.4174.6-172.600112.3L30 D31 F32 Q33 Y37 V38L30-E35 HydrophobicContact CD2-CB 4.15Å; L30-E35 HydrophobicContact CD2-CG 4.25Å; D31-E35 PolarHBondContact O-N 3.13Å; F32-E35 WeakPolarHBondContact O-CB 3.37Å; Q33-E35 VanDerWaalsContact C-N 3.35Å; E35-Y37 PolarHBondContact O-N 3.48Å; E35-Y37 VanDerWaalsContact O-N 3.09Å; E35-V38 PolarHBondContact O-N 2.93Å; E35-V38 VanDerWaalsContact O-N 3.14Å
36Q94.5Very high94.4Very high108 Ų10878.4 Ų78.451%0.50538%0.382SS..G310 helixtrans-59.8-23.6176.870.8-175.4-37.600113.6Q33 M34 K53Q33-Q36 WeakPolarHBondContact O-CG 3.4Å; Q33-Q36 PolarHBondContact O-NE2 3.26Å; Q33-Q36 VanDerWaalsContact O-NE2 3.15Å; M34-Q36 PolarHBondContact O-N 3.46Å; M34-Q36 VanDerWaalsContact O-N 3.16Å; Q36-K53 WeakPolarHBondContact O-CD 3.32Å; Q36-K53 WeakPolarHBondContact O-CE 3.47Å; Q36-K53 PolarHBondContact O-NZ 3.1Å
37Y95.7Very high94.4Very high15 Ų1579.8 Ų79.86%0.05938%0.384CS..G310 helixtrans-94.9-10.3-178.4-59.8-61.8000113.7M34 E35 N50 K53 K57 A160 P162M34-Y37 HydrophobicContact CE-CD2 3.75Å; M34-Y37 HydrophobicContact CE-CG 4.43Å; M34-Y37 PolarHBondContact O-N 3.14Å; M34-Y37 HydrophobicContact SD-CD2 3.64Å; M34-Y37 HydrophobicContact SD-CE2 4.03Å; E35-Y37 PolarHBondContact O-N 3.48Å; E35-Y37 VanDerWaalsContact O-N 3.09Å; Y37-N50 WeakPolarHBondContact O-CB 2.93Å; Y37-N50 PolarHBondContact O-N 2.84Å; Y37-K53 HydrophobicContact CD1-CB 4.04Å; Y37-K53 HydrophobicContact CD1-CD 4.09Å; Y37-K57 HydrophobicContact CE1-CD 4.4Å; Y37-K57 HydrophobicContact CE1-CG 4.05Å; Y37-K57 WeakPolarHBondContact OH-CE 3.36Å; Y37-K57 PolarHBondContact OH-NZ 3.4Å; Y37-K57 VanDerWaalsContact OH-NZ 3.08Å; Y37-A160 HydrophobicContact CE2-CB 4.25Å; Y37-P162 HydrophobicContact CD1-CB 4.34Å; Y37-P162 HydrophobicContact CD1-CG 3.68Å; Y37-P162 HydrophobicContact CD2-CB 4.38Å; Y37-P162 HydrophobicContact CD2-CG 4.47Å; Y37-P162 HydrophobicContact CE1-CG 4.35Å; Y37-P162 HydrophobicContact CG-CB 3.88Å; Y37-P162 HydrophobicContact CG-CG 3.75Å
38V95.4Very high94.6Very high27 Ų2780.7 Ų80.716%0.16439%0.387CS..EExtended strand (participates in β ladder)trans-82.6145.2179.9175.30000110.6L30 E35 Y47 T150L30-V38 HydrophobicContact CD1-CG2 3.48Å; L30-V38 VanDerWaalsContact CD1-CG2 3.48Å; L30-V38 HydrophobicContact CD2-CG2 4.42Å; E35-V38 PolarHBondContact O-N 2.93Å; E35-V38 VanDerWaalsContact O-N 3.14Å; V38-Y47 HydrophobicContact CG1-CD1 3.81Å; V38-Y47 HydrophobicContact CG1-CG 4.37Å; V38-T150 HydrophobicContact CG2-CG2 3.93Å
39Y95.2Very high94.7Very high161 Ų16175.2 Ų75.263%0.63136%0.36SS*.EExtended strand (participates in β ladder)trans-96.7-59.3174-178.6-117.5000111.8I48Y39-I48 PolarHBondContact N-O 2.88Å
40K95.1Very high94.8Very high119 Ų11971.7 Ų71.752%0.51734%0.342SS..EExtended strand (participates in β ladder)trans-154162-179.972.3-178.6-179.3176.80111.2I48K40-I48 HydrophobicContact CD-CD1 4.37Å; K40-I48 HydrophobicContact CG-CB 4.28Å; K40-I48 HydrophobicContact CG-CD1 3.9Å; K40-I48 HydrophobicContact CG-CG1 4.42Å; K40-I48 WeakPolarHBondContact O-CB 3.4Å; K40-I48 PolarHBondContact O-N 3.46Å
41R95.3Very high94.8Very high146 Ų14670.3 Ų70.355%0.55133%0.334SS*.EExtended strand (participates in β ladder)trans-93.5136.8169.1-161.8178-175-170.5-3.8110.2G45 Y47R41-G45 PolarHBondContact NE-O 3.1Å; R41-G45 VanDerWaalsContact NE-O 3.16Å; R41-Y47 HydrophobicContact CB-CD1 3.85Å; R41-Y47 HydrophobicContact CB-CE1 3.78Å; R41-Y47 HydrophobicContact CG-CD1 3.83Å; R41-Y47 HydrophobicContact CG-CE1 3.67Å; R41-Y47 HydrophobicContact CG-CG 4.44Å
42K94.6Very high94.7Very high82 Ų8275 Ų7536%0.35735%0.353SS..  trans-80.2161.4172.5-163.8-174.2-82.1-171.80110.2D44 G45 I46K42-D44 HydrophobicContact CD-CB 4.33Å; K42-D44 WeakPolarHBondContact CD-OD2 3.42Å; K42-D44 PolarHBondContact O-N 3.08Å; K42-G45 PolarHBondContact O-N 2.96Å; K42-G45 VanDerWaalsContact O-N 3.1Å; K42-I46 WeakPolarHBondContact CB-O 3.36Å; K42-I46 PolarHBondContact N-O 3.09Å
43S93.5Very high94.7Very high113 Ų11371.7 Ų71.779%0.7934%0.338SS*.THydrogen-bonded Turntrans-49.8-37.3169.446.80000113G45S43-G45 PolarHBondContact O-N 3.29Å; S43-G45 VanDerWaalsContact O-N 3.1Å
44D91.2Very high94.7Very high100 Ų10067.9 Ų67.954%0.53532%0.321SS..THydrogen-bonded Turntrans-75.61.4-175.2-43.3-20.4000112.4K42 I46K42-D44 HydrophobicContact CD-CB 4.33Å; K42-D44 WeakPolarHBondContact CD-OD2 3.42Å; K42-D44 PolarHBondContact O-N 3.08Å; D44-I46 VanDerWaalsContact C-N 3.29Å; D44-I46 PolarHBondContact O-N 3.15Å
45G91.4Very high94.7Very high9 Ų968.1 Ų68.19%0.09332%0.322CS..SBendtrans85.8-10.1-179.500000114.8R41 K42 S43R41-G45 PolarHBondContact NE-O 3.1Å; R41-G45 VanDerWaalsContact NE-O 3.16Å; K42-G45 PolarHBondContact O-N 2.96Å; K42-G45 VanDerWaalsContact O-N 3.1Å; S43-G45 PolarHBondContact O-N 3.29Å; S43-G45 VanDerWaalsContact O-N 3.1Å
46I95.1Very high94.7Very high51 Ų5163.5 Ų63.526%0.26230%0.3SS..PPolyproline II helixtrans-72.9133.1176.3-62.8171.7000110.8G26 K42 D44G26-I46 WeakPolarHBondContact O-CG2 3.47Å; K42-I46 WeakPolarHBondContact CB-O 3.36Å; K42-I46 PolarHBondContact N-O 3.09Å; D44-I46 VanDerWaalsContact C-N 3.29Å; D44-I46 PolarHBondContact O-N 3.15Å
47Y95.9Very high94.7Very high41 Ų4161 Ų6116%0.16129%0.287CS..EExtended strand (participates in β ladder)trans-81.1137.3172.8-70.6-75.7000111.6G26 G27 M28 L30 V38 R41G26-Y47 VanDerWaalsContact CA-O 3.32Å; G26-Y47 WeakPolarHBondContact CA-O 3.45Å; G26-Y47 PolarHBondContact N-O 3.16Å; G27-Y47 WeakPolarHBondContact O-CD2 3.23Å; G27-Y47 PolarHBondContact O-N 2.87Å; M28-Y47 WeakPolarHBondContact O-CE2 3.34Å; L30-Y47 HydrophobicContact CB-CD2 4.01Å; L30-Y47 HydrophobicContact CB-CE1 4.47Å; L30-Y47 HydrophobicContact CB-CE2 3.61Å; L30-Y47 HydrophobicContact CD2-CD1 4.49Å; L30-Y47 HydrophobicContact CD2-CE1 4.13Å; V38-Y47 HydrophobicContact CG1-CD1 3.81Å; V38-Y47 HydrophobicContact CG1-CG 4.37Å; R41-Y47 HydrophobicContact CB-CD1 3.85Å; R41-Y47 HydrophobicContact CB-CE1 3.78Å; R41-Y47 HydrophobicContact CG-CD1 3.83Å; R41-Y47 HydrophobicContact CG-CE1 3.67Å; R41-Y47 HydrophobicContact CG-CG 4.44Å
48I96.4Very high94.7Very high26 Ų2660.3 Ų60.313%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-96123.4175.4-60.2178000108.4H24 Y39 K40H24-I48 CarbonylContact O-C 3.59Å; H24-I48 WeakPolarHBondContact O-CA 3.35Å; Y39-I48 PolarHBondContact N-O 2.88Å; K40-I48 HydrophobicContact CD-CD1 4.37Å; K40-I48 HydrophobicContact CG-CB 4.28Å; K40-I48 HydrophobicContact CG-CD1 3.9Å; K40-I48 HydrophobicContact CG-CG1 4.42Å; K40-I48 WeakPolarHBondContact O-CB 3.4Å; K40-I48 PolarHBondContact O-N 3.46Å
49I96.7Very high94.7Very high5 Ų559.1 Ų59.13%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-81.5140178.6-58.9175.2000109.7H24 L51 T54 T150 P162H24-I49 PolarHBondContact O-N 3.14Å; I49-L51 PolarHBondContact O-N 2.78Å; I49-T54 HydrophobicContact CG2-CG2 3.52Å; I49-T150 HydrophobicContact CD1-CG2 4.17Å; I49-T150 HydrophobicContact CG1-CG2 3.89Å; I49-P162 HydrophobicContact CG2-CB 3.8Å; I49-P162 HydrophobicContact CG2-CG 4.47Å
50N95.8Very high94.7Very high44 Ų4454.6 Ų54.624%0.23526%0.264CS..  trans-77.7107.7177.1-172-23.3000111.6Y37 K52 K53 T54Y37-N50 WeakPolarHBondContact O-CB 2.93Å; Y37-N50 PolarHBondContact O-N 2.84Å; N50-K52 PolarHBondContact O-N 3.29Å; N50-K52 WeakPolarHBondContact OD1-CB 3.47Å; N50-K52 PolarHBondContact OD1-N 3.04Å; N50-K53 HydrophobicContact CB-CB 4.4Å; N50-K53 HydrophobicContact CB-CD 4.46Å; N50-K53 HydrophobicContact CB-CG 4.27Å; N50-K53 PolarHBondContact O-N 3.39Å; N50-T54 WeakPolarHBondContact O-CG2 3.43Å; N50-T54 PolarHBondContact O-N 3.22Å; N50-T54 VanDerWaalsContact O-N 3.13Å
51L94.4Very high94.7Very high24 Ų2448.9 Ų48.913%0.12624%0.239CC..Hα-helixtrans-59-28.1-179.9-68.1-179.2000114.6M10 V15 F18 L19 H24 I49 K53 T54 W55M10-L51 HydrophobicContact CE-CB 4.04Å; V15-L51 HydrophobicContact CG1-CD1 4.47Å; F18-L51 HydrophobicContact CB-CD1 4.12Å; F18-L51 HydrophobicContact CB-CD2 3.99Å; F18-L51 HydrophobicContact CG-CD2 4.27Å; L19-L51 HydrophobicContact CD2-CD1 4.07Å; L19-L51 HydrophobicContact CG-CD1 4.46Å; H24-L51 HydrophobicContact CB-CD1 4.36Å; H24-L51 HydrophobicContact CB-CD2 4.02Å; H24-L51 HydrophobicContact CB-CG 4.15Å; I49-L51 PolarHBondContact O-N 2.78Å; L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 3.1Å; L51-T54 WeakPolarHBondContact CA-OG1 3.21Å; L51-T54 HydrophobicContact CD2-CG2 4.34Å; L51-T54 PolarHBondContact O-N 3.49Å; L51-T54 PolarHBondContact O-OG1 3.08Å; L51-W55 PolarHBondContact O-N 3.4Å
52K93.6Very high94.7Very high137 Ų13742 Ų4260%0.59621%0.213SC*.Hα-helixtrans-64.2-41.6174.4-174.7176.6178176.40110.8N50 W55 E56N50-K52 PolarHBondContact O-N 3.29Å; N50-K52 WeakPolarHBondContact OD1-CB 3.47Å; N50-K52 PolarHBondContact OD1-N 3.04Å; K52-W55 PolarHBondContact O-N 2.88Å; K52-E56 WeakPolarHBondContact CE-OE1 3.43Å; K52-E56 WeakPolarHBondContact O-CG 3.33Å; K52-E56 PolarHBondContact O-N 3.16Å
53K93.9Very high94.7Very high81 Ų8142.6 Ų42.635%0.35221%0.213SC..Hα-helixtrans-71.7-34.9178.4-64.4-170.1176.6-171.90111.8Q36 Y37 N50 L51 K57Q36-K53 WeakPolarHBondContact O-CD 3.32Å; Q36-K53 WeakPolarHBondContact O-CE 3.47Å; Q36-K53 PolarHBondContact O-NZ 3.1Å; Y37-K53 HydrophobicContact CD1-CB 4.04Å; Y37-K53 HydrophobicContact CD1-CD 4.09Å; N50-K53 HydrophobicContact CB-CB 4.4Å; N50-K53 HydrophobicContact CB-CD 4.46Å; N50-K53 HydrophobicContact CB-CG 4.27Å; N50-K53 PolarHBondContact O-N 3.39Å; L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 3.1Å; K53-K57 WeakPolarHBondContact O-CB 3.39Å; K53-K57 WeakPolarHBondContact O-CG 3.24Å; K53-K57 PolarHBondContact O-N 3.42Å
54T95.3Very high94.8Very high3 Ų338.6 Ų38.62%0.01819%0.186CC..Hα-helixtrans-60.2-48.2173.673.60000110.4I49 N50 L51 K57 L58 P162I49-T54 HydrophobicContact CG2-CG2 3.52Å; N50-T54 WeakPolarHBondContact O-CG2 3.43Å; N50-T54 PolarHBondContact O-N 3.22Å; N50-T54 VanDerWaalsContact O-N 3.13Å; L51-T54 WeakPolarHBondContact CA-OG1 3.21Å; L51-T54 HydrophobicContact CD2-CG2 4.34Å; L51-T54 PolarHBondContact O-N 3.49Å; L51-T54 PolarHBondContact O-OG1 3.08Å; T54-K57 PolarHBondContact O-N 2.96Å; T54-L58 WeakPolarHBondContact O-CB 3.46Å; T54-L58 PolarHBondContact O-N 3.43Å; T54-P162 VanDerWaalsContact CB-O 3.3Å; T54-P162 WeakPolarHBondContact CB-O 3.45Å; T54-P162 HydrophobicContact CG2-CB 4.32Å; T54-P162 HydrophobicContact CG2-CG 3.97Å; T54-P162 WeakPolarHBondContact CG2-O 3.05Å
55W94.9Very high95Very high8 Ų833.9 Ų33.93%0.0316%0.161CC..Hα-helixtrans-62.7-45.8178.7-177-110.5000112.9L8 M10 F18 L51 K52 K57 L58 L59 M177 E181L8-W55 PolarHBondContact O-NE1 3.22Å; M10-W55 HydrophobicContact CB-CD2 4.36Å; M10-W55 HydrophobicContact CB-CG 3.99Å; M10-W55 HydrophobicContact CG-CB 4.37Å; M10-W55 HydrophobicContact CG-CD2 4.23Å; M10-W55 HydrophobicContact CG-CG 4.05Å; M10-W55 HydrophobicContact SD-CB 4.17Å; M10-W55 HydrophobicContact SD-CG 4.47Å; F18-W55 HydrophobicContact CE2-CE3 4.14Å; F18-W55 HydrophobicContact CZ-CE3 4.25Å; L51-W55 PolarHBondContact O-N 3.4Å; K52-W55 PolarHBondContact O-N 2.88Å; W55-K57 VanDerWaalsContact C-N 3.32Å; W55-K57 PolarHBondContact O-N 3.47Å; W55-L58 HydrophobicContact CE3-CD2 3.97Å; W55-L58 HydrophobicContact CZ3-CD2 3.76Å; W55-L58 PolarHBondContact O-N 2.93Å; W55-L59 HydrophobicContact CZ2-CD1 4.28Å; W55-L59 HydrophobicContact CZ2-CD2 4.22Å; W55-L59 HydrophobicContact CZ2-CG 4.34Å; W55-L59 PolarHBondContact O-N 3.27Å; W55-M177 HydrophobicContact CE3-CE 4.27Å; W55-M177 HydrophobicContact CH2-CE 4.35Å; W55-M177 HydrophobicContact CZ3-CE 3.54Å; W55-E181 HydrophobicContact CH2-CG 4.05Å; W55-E181 HydrophobicContact CZ3-CG 4.48Å
56E94.1Very high95.2Very high33 Ų3335.7 Ų35.715%0.15417%0.17CC..Hα-helixtrans-62.7-37.8178.7-75.9-172.9-149.700113.1M1 K52 L60M1-E56 WeakPolarHBondContact CA-OE2 3.44Å; M1-E56 PolarHBondContact N-OE2 3.17Å; K52-E56 WeakPolarHBondContact CE-OE1 3.43Å; K52-E56 WeakPolarHBondContact O-CG 3.33Å; K52-E56 PolarHBondContact O-N 3.16Å; E56-L60 WeakPolarHBondContact O-CB 3.49Å; E56-L60 PolarHBondContact O-N 3.25Å; E56-L60 VanDerWaalsContact O-N 3.14Å
57K95.8Very high95.2Very high57 Ų5737.1 Ų37.125%0.24819%0.19CC..Hα-helixtrans-74.8-35.6177-72.5-71.3-177.8163.40112.2Y37 K53 T54 W55 L60 A61 A160 I161Y37-K57 HydrophobicContact CE1-CD 4.4Å; Y37-K57 HydrophobicContact CE1-CG 4.05Å; Y37-K57 WeakPolarHBondContact OH-CE 3.36Å; Y37-K57 PolarHBondContact OH-NZ 3.4Å; Y37-K57 VanDerWaalsContact OH-NZ 3.08Å; K53-K57 WeakPolarHBondContact O-CB 3.39Å; K53-K57 WeakPolarHBondContact O-CG 3.24Å; K53-K57 PolarHBondContact O-N 3.42Å; T54-K57 PolarHBondContact O-N 2.96Å; W55-K57 VanDerWaalsContact C-N 3.32Å; W55-K57 PolarHBondContact O-N 3.47Å; K57-L60 PolarHBondContact O-N 2.98Å; K57-A61 PolarHBondContact O-N 3.11Å; K57-A160 WeakPolarHBondContact CG-O 3.43Å; K57-I161 HydrophobicContact CB-CG1 4.47Å
58L95.6Very high95.1Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-60.7-45173.1-174.4120.7000111.4T54 W55 L60 A61 A62 M174 M177 L178 E181T54-L58 WeakPolarHBondContact O-CB 3.46Å; T54-L58 PolarHBondContact O-N 3.43Å; W55-L58 HydrophobicContact CE3-CD2 3.97Å; W55-L58 HydrophobicContact CZ3-CD2 3.76Å; W55-L58 PolarHBondContact O-N 2.93Å; L58-L60 VanDerWaalsContact C-N 3.35Å; L58-L60 PolarHBondContact O-N 3.5Å; L58-A61 PolarHBondContact O-N 3.13Å; L58-A62 PolarHBondContact O-N 3.09Å; L58-M174 HydrophobicContact CD1-CE 3.53Å; L58-M177 HydrophobicContact CD1-CB 4.17Å; L58-M177 HydrophobicContact CD2-CB 4.28Å; L58-L178 HydrophobicContact CD1-CB 4.25Å; L58-E181 HydrophobicContact CD2-CG 4.06Å
59L94.4Very high94.9Very high1 Ų143.6 Ų43.61%0.00522%0.222CC..Hα-helixtrans-65.4-37.2175.2-73.3174.9000112.7L8 W55 A62 R63 E181 M185L8-L59 HydrophobicContact CB-CD1 4.17Å; L8-L59 WeakPolarHBondContact O-CD1 3.35Å; W55-L59 HydrophobicContact CZ2-CD1 4.28Å; W55-L59 HydrophobicContact CZ2-CD2 4.22Å; W55-L59 HydrophobicContact CZ2-CG 4.34Å; W55-L59 PolarHBondContact O-N 3.27Å; L59-A62 PolarHBondContact O-N 3.32Å; L59-R63 WeakPolarHBondContact O-CG 3.33Å; L59-R63 PolarHBondContact O-N 3.46Å; L59-E181 HydrophobicContact CD2-CB 4.49Å; L59-E181 HydrophobicContact CD2-CG 4.09Å; L59-M185 HydrophobicContact CD2-CE 3.82Å
60L95Very high94.8Very high66 Ų6646.9 Ų46.935%0.34624%0.239SC..Hα-helixtrans-63.6-43.1176-173.5151.2000111E56 K57 L58 R63 A64 I159E56-L60 WeakPolarHBondContact O-CB 3.49Å; E56-L60 PolarHBondContact O-N 3.25Å; E56-L60 VanDerWaalsContact O-N 3.14Å; K57-L60 PolarHBondContact O-N 2.98Å; L58-L60 VanDerWaalsContact C-N 3.35Å; L58-L60 PolarHBondContact O-N 3.5Å; L60-R63 PolarHBondContact O-N 3.36Å; L60-A64 PolarHBondContact O-N 3.4Å; L60-A64 VanDerWaalsContact O-N 3.11Å; L60-I159 HydrophobicContact CD2-CB 4.3Å; L60-I159 HydrophobicContact CD2-CD1 3.35Å; L60-I159 HydrophobicContact CD2-CG1 3.54Å; L60-I159 HydrophobicContact CD2-CG2 3.73Å
61A95.9Very high94.7Very high0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-62.8-44.517400000112.3K57 L58 R63 A64 I65 I145 I159 I161 L178K57-A61 PolarHBondContact O-N 3.11Å; L58-A61 PolarHBondContact O-N 3.13Å; A61-R63 VanDerWaalsContact C-N 3.3Å; A61-R63 PolarHBondContact O-N 3.01Å; A61-A64 WeakPolarHBondContact O-CB 3.32Å; A61-A64 PolarHBondContact O-N 3.46Å; A61-A64 VanDerWaalsContact O-N 3.13Å; A61-I65 WeakPolarHBondContact O-CD1 3.39Å; A61-I65 VanDerWaalsContact O-CG1 3.32Å; A61-I65 WeakPolarHBondContact O-CG1 3.23Å; A61-I65 PolarHBondContact O-N 3.49Å; A61-I145 HydrophobicContact CB-CD1 3.82Å; A61-I145 HydrophobicContact CB-CG2 3.85Å; A61-I159 HydrophobicContact CB-CG2 4.29Å; A61-I161 HydrophobicContact CB-CD1 3.7Å; A61-I161 HydrophobicContact CB-CG1 4.28Å; A61-L178 HydrophobicContact CB-CD1 4.49Å
62A95.3Very high94.6Very high0 Ų047.3 Ų47.30%025%0.248CC..Hα-helixtrans-58.8-41.4176.700000111.9L58 L59 I65 V66 E181 V182 M185L58-A62 PolarHBondContact O-N 3.09Å; L59-A62 PolarHBondContact O-N 3.32Å; A62-I65 PolarHBondContact O-N 3.39Å; A62-V66 WeakPolarHBondContact O-CG2 3.39Å; A62-V66 PolarHBondContact O-N 2.93Å; A62-E181 HydrophobicContact CB-CB 4.03Å; A62-V182 HydrophobicContact CB-CG2 4.01Å; A62-M185 HydrophobicContact CB-CE 3.87Å; A62-M185 HydrophobicContact CB-SD 4.06Å
63R94.4Very high94.6Very high96 Ų9643.3 Ų43.336%0.36223%0.234SC..Hα-helixtrans-62.5-41.9174.7-72175.8-174.6173.62.5112.5S2 L8 L59 L60 A61 I65 V66 A67 M185S2-R63 PolarHBondContact O-NH2 3.23Å; L8-R63 VanDerWaalsContact CD1-NH2 3.25Å; L59-R63 WeakPolarHBondContact O-CG 3.33Å; L59-R63 PolarHBondContact O-N 3.46Å; L60-R63 PolarHBondContact O-N 3.36Å; A61-R63 VanDerWaalsContact C-N 3.3Å; A61-R63 PolarHBondContact O-N 3.01Å; R63-I65 VanDerWaalsContact C-N 3.31Å; R63-I65 PolarHBondContact O-N 3.37Å; R63-V66 PolarHBondContact O-N 3.01Å; R63-A67 PolarHBondContact O-N 3.4Å; R63-A67 VanDerWaalsContact O-N 3.09Å; R63-M185 HydrophobicContact CB-SD 4.46Å; R63-M185 HydrophobicContact CG-CE 3.86Å; R63-M185 HydrophobicContact CG-SD 3.68Å
64A95.3Very high94.7Very high28 Ų2839.5 Ų39.523%0.23122%0.217CC..Hα-helixtrans-63.1-38177.900000112L60 A61 A67 L121 I145 I159L60-A64 PolarHBondContact O-N 3.4Å; L60-A64 VanDerWaalsContact O-N 3.11Å; A61-A64 WeakPolarHBondContact O-CB 3.32Å; A61-A64 PolarHBondContact O-N 3.46Å; A61-A64 VanDerWaalsContact O-N 3.13Å; A64-A67 PolarHBondContact O-N 2.93Å; A64-L121 HydrophobicContact CB-CD1 4.15Å; A64-I145 HydrophobicContact CB-CD1 4.22Å; A64-I159 HydrophobicContact CB-CD1 4.11Å
65I95.6Very high94.8Very high2 Ų239.3 Ų39.31%0.0122%0.216CC..Hα-helixtrans-69.1-38.3177.3-65.2161.8000111.6A61 A62 R63 A67 I68 V74 L121 I123 I145 L178 V182A61-I65 WeakPolarHBondContact O-CD1 3.39Å; A61-I65 VanDerWaalsContact O-CG1 3.32Å; A61-I65 WeakPolarHBondContact O-CG1 3.23Å; A61-I65 PolarHBondContact O-N 3.49Å; A62-I65 PolarHBondContact O-N 3.39Å; R63-I65 VanDerWaalsContact C-N 3.31Å; R63-I65 PolarHBondContact O-N 3.37Å; I65-A67 VanDerWaalsContact C-N 3.28Å; I65-A67 PolarHBondContact O-N 3.49Å; I65-I68 PolarHBondContact O-N 3.25Å; I65-V74 HydrophobicContact CG2-CG2 4.42Å; I65-L121 HydrophobicContact CG1-CD2 4.17Å; I65-I123 HydrophobicContact CD1-CD1 3.41Å; I65-I123 VanDerWaalsContact CD1-CD1 3.41Å; I65-I123 HydrophobicContact CG1-CD1 3.91Å; I65-I145 HydrophobicContact CG1-CD1 4.41Å; I65-L178 HydrophobicContact CD1-CD2 3.5Å; I65-L178 HydrophobicContact CD1-CG 4.42Å; I65-V182 HydrophobicContact CB-CG2 4.07Å; I65-V182 HydrophobicContact CD1-CG2 4.04Å; I65-V182 HydrophobicContact CG2-CG1 4.02Å; I65-V182 HydrophobicContact CG2-CG2 3.9Å
66V95.3Very high94.8Very high47 Ų4739 Ų3929%0.28522%0.215SC..Hα-helixtrans-70.8-26.9179.1174.50000111.8A62 R63 I68 V182 M185 R186A62-V66 WeakPolarHBondContact O-CG2 3.39Å; A62-V66 PolarHBondContact O-N 2.93Å; R63-V66 PolarHBondContact O-N 3.01Å; V66-I68 PolarHBondContact O-N 3.34Å; V66-V182 HydrophobicContact CG2-CG1 4.19Å; V66-M185 HydrophobicContact CB-CB 4.5Å; V66-M185 HydrophobicContact CG1-CB 4.34Å; V66-M185 HydrophobicContact CG2-CB 3.61Å; V66-M185 HydrophobicContact CG2-SD 4.24Å; V66-R186 HydrophobicContact CG1-CG 4.47Å; V66-R186 HydrophobicContact CG2-CG 4.29Å
67A95.4Very high94.9Very high81 Ų8137.4 Ų37.467%0.66921%0.207SC*.THydrogen-bonded Turntrans-66-13.2177.100000113.7R63 A64 I65R63-A67 PolarHBondContact O-N 3.4Å; R63-A67 VanDerWaalsContact O-N 3.09Å; A64-A67 PolarHBondContact O-N 2.93Å; I65-A67 VanDerWaalsContact C-N 3.28Å; I65-A67 PolarHBondContact O-N 3.49Å
68I94.9Very high94.9Very high20 Ų2034.7 Ų34.710%0.10320%0.196CC..  trans-89.8121.5178.3-61.6167.6000108.9I65 V66 N70 D73 V74 L121I65-I68 PolarHBondContact O-N 3.25Å; V66-I68 PolarHBondContact O-N 3.34Å; I68-N70 WeakPolarHBondContact CG2-O 3.19Å; I68-D73 HydrophobicContact CG2-CB 4.33Å; I68-V74 HydrophobicContact CB-CG2 4.29Å; I68-V74 HydrophobicContact CD1-CG2 3.55Å; I68-V74 HydrophobicContact CG2-CG2 4.29Å; I68-L121 HydrophobicContact CD1-CB 3.32Å; I68-L121 HydrophobicContact CD1-CD1 3.77Å; I68-L121 HydrophobicContact CD1-CG 4.13Å
69E91.8Very high94.7Very high183 Ų18336.4 Ų36.486%0.85521%0.208SC*.SBendtrans-62.6-49.2-177.4-63.3174-179.700112P71E69-P71 WeakPolarHBondContact O-CD 3.43Å
70N94.2Very high94.5Very high74 Ų7438.7 Ų38.740%0.39622%0.216SC..SBendtrans-92.9111.5176.5-177.413.5000110.8I68 A72 D73I68-N70 WeakPolarHBondContact CG2-O 3.19Å; N70-A72 PolarHBondContact O-N 3.38Å; N70-A72 PolarHBondContact OD1-N 3.03Å; N70-D73 WeakPolarHBondContact CB-OD2 3.35Å; N70-D73 PolarHBondContact ND2-OD1 3.05Å; N70-D73 PolarHBondContact O-N 2.71Å
71P92.8Very high94.3Very high41 Ų4138.9 Ų38.927%0.26622%0.217SC..G310 helixtrans-61.4-27.7-179.825.3-34.9000113.6E69 D73 V74 T94 G95 A96E69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-D73 PolarHBondContact O-N 3.28Å; P71-V74 WeakPolarHBondContact O-CB 3.32Å; P71-V74 PolarHBondContact O-N 2.89Å; P71-T94 WeakPolarHBondContact CB-O 3.15Å; P71-G95 CarbonylContact C-O 3.55Å; P71-A96 WeakPolarHBondContact O-CA 3.41Å
72A93.5Very high94Very high35 Ų3539.1 Ų39.129%0.28922%0.219SC..G310 helixtrans-69.3-23.2-178.400000113.1N70 V74 G95 T97N70-A72 PolarHBondContact O-N 3.38Å; N70-A72 PolarHBondContact OD1-N 3.03Å; A72-V74 PolarHBondContact O-N 3.26Å; A72-G95 WeakPolarHBondContact CA-O 3.38Å; A72-G95 PolarHBondContact N-O 3.44Å; A72-T97 HydrophobicContact CB-CG2 4.38Å; A72-T97 WeakPolarHBondContact O-CG2 3.31Å; A72-T97 PolarHBondContact O-OG1 2.88Å
73D94.1Very high93.8Very high53 Ų5339.1 Ų39.128%0.28322%0.219SC..G310 helixtrans-75.3-5.7177.7-61.8-9.6000112.3I68 N70 P71 P119 R120I68-D73 HydrophobicContact CG2-CB 4.33Å; N70-D73 WeakPolarHBondContact CB-OD2 3.35Å; N70-D73 PolarHBondContact ND2-OD1 3.05Å; N70-D73 PolarHBondContact O-N 2.71Å; P71-D73 PolarHBondContact O-N 3.28Å; D73-P119 CarbonylContact O-C 3.55Å; D73-P119 WeakPolarHBondContact O-CA 3.14Å; D73-P119 VanDerWaalsContact O-CB 3.28Å; D73-P119 WeakPolarHBondContact O-CB 3.44Å; D73-R120 HydrophobicContact CB-CB 4.32Å; D73-R120 HydrophobicContact CB-CG 4.1Å; D73-R120 PolarHBondContact O-N 2.88Å
74V95.9Very high93.6Very high1 Ų137.5 Ų37.51%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-85.2121.9168.8-178.90000108.4I65 I68 P71 A72 V76 A96 T97 L121 I123I65-V74 HydrophobicContact CG2-CG2 4.42Å; I68-V74 HydrophobicContact CB-CG2 4.29Å; I68-V74 HydrophobicContact CD1-CG2 3.55Å; I68-V74 HydrophobicContact CG2-CG2 4.29Å; P71-V74 WeakPolarHBondContact O-CB 3.32Å; P71-V74 PolarHBondContact O-N 2.89Å; A72-V74 PolarHBondContact O-N 3.26Å; V74-V76 HydrophobicContact CG1-CG2 4.37Å; V74-A96 HydrophobicContact CB-CB 4.17Å; V74-A96 HydrophobicContact CG1-CB 4.3Å; V74-A96 WeakPolarHBondContact O-CB 3.3Å; V74-T97 PolarHBondContact O-N 2.94Å; V74-T97 PolarHBondContact O-OG1 3.49Å; V74-T97 VanDerWaalsContact O-OG1 3.08Å; V74-L121 HydrophobicContact CG1-CD2 3.9Å; V74-I123 HydrophobicContact CG1-CD1 4Å; V74-I123 HydrophobicContact CG1-CG1 4.28Å
75C95.8Very high93.5Very high0 Ų039.5 Ų39.50%022%0.217CC..EExtended strand (participates in β ladder)trans-105.7131.4176.8179.30000111T97 F99 P119 L121 L122 I123C75-T97 CarbonylContact C-O 3.53Å; C75-T97 WeakPolarHBondContact CA-O 3.17Å; C75-F99 WeakPolarHBondContact SG-CD2 3.4Å; C75-F99 WeakPolarHBondContact SG-CE2 3.43Å; C75-P119 HydrophobicContact CB-CB 3.32Å; C75-P119 HydrophobicContact CB-CG 3.57Å; C75-L121 PolarHBondContact N-O 3.44Å; C75-L122 CarbonylContact O-C 3.51Å; C75-L122 WeakPolarHBondContact O-CA 3.37Å; C75-I123 PolarHBondContact O-N 3.34Å
76V96.6Very high93.5Very high0 Ų039.4 Ų39.40%022%0.217CC..EExtended strand (participates in β ladder)trans-117.6129.2177.4-175.90000110.7V74 V87 F90 A96 T97 T98 F99 I123 W175V74-V76 HydrophobicContact CG1-CG2 4.37Å; V76-V87 HydrophobicContact CB-CG1 4.02Å; V76-V87 HydrophobicContact CG1-CB 4.15Å; V76-V87 HydrophobicContact CG1-CG1 3.55Å; V76-V87 HydrophobicContact CG1-CG2 3.64Å; V76-F90 HydrophobicContact CB-CD1 4.47Å; V76-F90 HydrophobicContact CG1-CD1 4.46Å; V76-F90 HydrophobicContact CG2-CD1 3.75Å; V76-F90 HydrophobicContact CG2-CE1 3.66Å; V76-A96 HydrophobicContact CG2-CB 4.22Å; V76-T97 PolarHBondContact N-O 3.46Å; V76-T98 HydrophobicContact CB-CG2 3.9Å; V76-T98 VanDerWaalsContact O-CA 3.31Å; V76-T98 WeakPolarHBondContact O-CA 3.35Å; V76-F99 PolarHBondContact O-N 3.39Å; V76-I123 WeakPolarHBondContact CA-O 3.41Å; V76-I123 HydrophobicContact CG1-CB 4.37Å; V76-I123 HydrophobicContact CG2-CB 4.12Å; V76-I123 HydrophobicContact CG2-CD1 3.93Å; V76-I123 HydrophobicContact CG2-CG1 4.2Å; V76-W175 HydrophobicContact CB-CH2 4.45Å; V76-W175 HydrophobicContact CG1-CE3 4.48Å; V76-W175 HydrophobicContact CG1-CH2 3.15Å; V76-W175 HydrophobicContact CG1-CZ2 3.8Å; V76-W175 HydrophobicContact CG1-CZ3 3.54Å; V76-W175 HydrophobicContact CG2-CZ3 4.42Å
77I95.8Very high93.5Very high0 Ų037.1 Ų37.10%020%0.203CC..EExtended strand (participates in β ladder)trans-126.7133.8-173.1-52.8-164.2000111.2F99 F103 F108 L122 I123 T125 P133I77-F99 WeakPolarHBondContact CA-O 3.39Å; I77-F99 HydrophobicContact CD1-CB 4.36Å; I77-F99 HydrophobicContact CD1-CD2 3.94Å; I77-F99 HydrophobicContact CG1-CB 4.14Å; I77-F99 HydrophobicContact CG1-CD2 4.1Å; I77-F99 HydrophobicContact CG2-CB 4.39Å; I77-F103 HydrophobicContact CD1-CD2 3.82Å; I77-F103 HydrophobicContact CD1-CE2 3.62Å; I77-F103 HydrophobicContact CG2-CD2 4.45Å; I77-F108 HydrophobicContact CD1-CE2 4.31Å; I77-F108 HydrophobicContact CD1-CZ 3.72Å; I77-L122 HydrophobicContact CD1-CD1 3.75Å; I77-L122 HydrophobicContact CG1-CD1 4.15Å; I77-I123 PolarHBondContact N-O 3.12Å; I77-T125 PolarHBondContact O-N 3.17Å; I77-P133 HydrophobicContact CD1-CB 3.74Å; I77-P133 HydrophobicContact CD1-CG 4.29Å; I77-P133 HydrophobicContact CG2-CG 4.18Å
78S95.3Very high93.4Very high0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-143.5109.7167.2-179.90000109.8R80 G83 Q84 F99 G101 T125S78-R80 PolarHBondContact OG-O 3.31Å; S78-G83 VanDerWaalsContact OG-C 3.24Å; S78-G83 VanDerWaalsContact OG-CA 3.22Å; S78-G83 WeakPolarHBondContact OG-CA 3.16Å; S78-Q84 PolarHBondContact OG-N 2.89Å; S78-F99 PolarHBondContact N-O 3.25Å; S78-F99 VanDerWaalsContact N-O 3.15Å; S78-G101 PolarHBondContact O-N 3.23Å; S78-T125 WeakPolarHBondContact CA-OG1 3.48Å; S78-T125 WeakPolarHBondContact CB-OG1 3.39Å; S78-T125 PolarHBondContact OG-OG1 3.05Å
79S92.2Very high93.4Very high36 Ų3640 Ų4025%0.25220%0.203SC..  trans-75.4-32.2167.765.90000112Q84 G101 D130S79-Q84 PolarHBondContact O-NE2 3.21Å; S79-G101 VanDerWaalsContact CA-O 3.25Å; S79-G101 WeakPolarHBondContact CA-O 3.39Å; S79-D130 WeakPolarHBondContact CA-OD1 3.17Å; S79-D130 WeakPolarHBondContact CB-OD1 3.5Å; S79-D130 PolarHBondContact N-OD1 3.24Å; S79-D130 PolarHBondContact OG-OD1 2.99Å
80R90.3Very high93.6Very high50 Ų5031.3 Ų31.319%0.18916%0.162CC..SBendtrans-72.2136.4-177.2-136175.884.2-167.63.4111.9S78 T82 G83 Q84 D126 N165 K166S78-R80 PolarHBondContact OG-O 3.31Å; R80-T82 VanDerWaalsContact CZ-OG1 3.29Å; R80-T82 PolarHBondContact NE-OG1 3.34Å; R80-T82 PolarHBondContact NH2-OG1 3.27Å; R80-T82 PolarHBondContact O-N 3.24Å; R80-G83 PolarHBondContact O-N 2.77Å; R80-G83 VanDerWaalsContact O-N 3.1Å; R80-Q84 WeakPolarHBondContact O-CG 3.3Å; R80-Q84 PolarHBondContact O-N 3.48Å; R80-D126 IonicContact NH1-OD2 3.45Å; R80-D126 PolarHBondContact NH1-OD2 3.17Å; R80-N165 PolarHBondContact NH1-O 3.08Å; R80-N165 PolarHBondContact NH2-O 3.42Å; R80-K166 PolarHBondContact NH2-O 3.26Å
81N90.1Very high93.6Very high69 Ų6928.2 Ų28.237%0.36915%0.147SC..Hα-helixtrans-48.9-45.3177.958.4-13000112.7G83 Q84 Y204N81-G83 PolarHBondContact O-N 2.82Å; N81-Q84 PolarHBondContact O-N 3.03Å; N81-Q84 VanDerWaalsContact O-N 3.16Å; N81-Y204 HydrophobicContact CB-CE2 3.92Å; N81-Y204 WeakPolarHBondContact O-CD2 3.42Å
82T90.1Very high93.7Very high5 Ų530.7 Ų30.73%0.03117%0.166CC..Hα-helixtrans-57.7-27-177.163.20000114.5R80 H168 Y204R80-T82 VanDerWaalsContact CZ-OG1 3.29Å; R80-T82 PolarHBondContact NE-OG1 3.34Å; R80-T82 PolarHBondContact NH2-OG1 3.27Å; R80-T82 PolarHBondContact O-N 3.24Å; T82-H168 WeakPolarHBondContact CG2-CE1 3.23Å; T82-H168 WeakPolarHBondContact CG2-ND1 3.36Å; T82-Y204 WeakPolarHBondContact O-CB 3.14Å
83G89.8Confident93.7Very high0 Ų030.6 Ų30.60%017%0.165CC..Hα-helixtrans-103.1-14.8-17800000114.2S78 R80 N81 R85 A86 V87S78-G83 VanDerWaalsContact OG-C 3.24Å; S78-G83 VanDerWaalsContact OG-CA 3.22Å; S78-G83 WeakPolarHBondContact OG-CA 3.16Å; R80-G83 PolarHBondContact O-N 2.77Å; R80-G83 VanDerWaalsContact O-N 3.1Å; N81-G83 PolarHBondContact O-N 2.82Å; G83-R85 PolarHBondContact O-N 3.17Å; G83-A86 PolarHBondContact O-N 2.94Å; G83-V87 WeakPolarHBondContact O-CB 3.49Å; G83-V87 VanDerWaalsContact O-CG2 3.29Å; G83-V87 WeakPolarHBondContact O-CG2 3.49Å; G83-V87 PolarHBondContact O-N 3.23Å
84Q92Very high93.7Very high62 Ų6228.4 Ų28.429%0.2915%0.153SC..Hα-helixtrans-58.4-48.1-173.5-74.6168.711.400112.4S78 S79 R80 N81 L88 H100S78-Q84 PolarHBondContact OG-N 2.89Å; S79-Q84 PolarHBondContact O-NE2 3.21Å; R80-Q84 WeakPolarHBondContact O-CG 3.3Å; R80-Q84 PolarHBondContact O-N 3.48Å; N81-Q84 PolarHBondContact O-N 3.03Å; N81-Q84 VanDerWaalsContact O-N 3.16Å; Q84-L88 WeakPolarHBondContact O-CG 3.32Å; Q84-L88 PolarHBondContact O-N 3.38Å; Q84-L88 VanDerWaalsContact O-N 3.12Å; Q84-H100 HydrophobicContact CB-CB 4.32Å; Q84-H100 HydrophobicContact CG-CB 4.25Å
85R92.8Very high93.6Very high70 Ų7030.2 Ų30.226%0.26417%0.172SC..Hα-helixtrans-65.3-43.9176.7177.9170.3167.6167.53.8112.2G83 V87 L88 K89 L201 F203G83-R85 PolarHBondContact O-N 3.17Å; R85-V87 VanDerWaalsContact C-N 3.3Å; R85-V87 PolarHBondContact O-N 3.36Å; R85-L88 PolarHBondContact O-N 3.48Å; R85-K89 WeakPolarHBondContact O-CG 3.48Å; R85-K89 PolarHBondContact O-N 3.44Å; R85-K89 VanDerWaalsContact O-N 3.08Å; R85-L201 PolarHBondContact NE-O 3.11Å; R85-L201 PolarHBondContact NH2-O 2.85Å; R85-F203 VanDerWaalsContact CD-O 3.23Å; R85-F203 WeakPolarHBondContact CD-O 3.32Å; R85-F203 PolarHBondContact NE-O 3.25Å
86A94.6Very high93.5Very high0 Ų030.8 Ų30.80%018%0.177CC..Hα-helixtrans-60.5-42.6179.900000111.5G83 K89 F90 W175 Y202G83-A86 PolarHBondContact O-N 2.94Å; A86-K89 PolarHBondContact O-N 3.06Å; A86-F90 VanDerWaalsContact O-CB 3.27Å; A86-F90 WeakPolarHBondContact O-CB 3.32Å; A86-F90 PolarHBondContact O-N 3.33Å; A86-W175 HydrophobicContact CB-CB 3.96Å; A86-W175 VanDerWaalsContact CB-CD1 3.44Å; A86-W175 HydrophobicContact CB-CG 3.84Å; A86-Y202 HydrophobicContact CB-CD1 4.43Å; A86-Y202 VanDerWaalsContact CB-O 3.31Å; A86-Y202 WeakPolarHBondContact CB-O 3.47Å; A86-Y202 WeakPolarHBondContact O-CD1 3.3Å
87V94.8Very high93.4Very high0 Ų032.8 Ų32.80%019%0.189CC..Hα-helixtrans-65.8-43.5178.6166.90000111.6V76 G83 R85 K89 F90 A91 T98 T125 W175V76-V87 HydrophobicContact CB-CG1 4.02Å; V76-V87 HydrophobicContact CG1-CB 4.15Å; V76-V87 HydrophobicContact CG1-CG1 3.55Å; V76-V87 HydrophobicContact CG1-CG2 3.64Å; G83-V87 WeakPolarHBondContact O-CB 3.49Å; G83-V87 VanDerWaalsContact O-CG2 3.29Å; G83-V87 WeakPolarHBondContact O-CG2 3.49Å; G83-V87 PolarHBondContact O-N 3.23Å; R85-V87 VanDerWaalsContact C-N 3.3Å; R85-V87 PolarHBondContact O-N 3.36Å; V87-K89 PolarHBondContact O-N 3.04Å; V87-F90 WeakPolarHBondContact O-CB 3.27Å; V87-F90 PolarHBondContact O-N 3.25Å; V87-A91 PolarHBondContact O-N 3.01Å; V87-T98 HydrophobicContact CG1-CG2 3.29Å; V87-T125 HydrophobicContact CG2-CG2 4.03Å; V87-W175 HydrophobicContact CG2-CD2 4.41Å; V87-W175 HydrophobicContact CG2-CH2 4.38Å; V87-W175 HydrophobicContact CG2-CZ2 3.79Å
88L94.6Very high93.4Very high85 Ų8534.4 Ų34.445%0.44520%0.199SC..Hα-helixtrans-56.6-47.8173.5-80.5165.2000112.1Q84 R85 F90 A91 S92 H100Q84-L88 WeakPolarHBondContact O-CG 3.32Å; Q84-L88 PolarHBondContact O-N 3.38Å; Q84-L88 VanDerWaalsContact O-N 3.12Å; R85-L88 PolarHBondContact O-N 3.48Å; L88-F90 VanDerWaalsContact C-N 3.34Å; L88-A91 PolarHBondContact O-N 2.91Å; L88-S92 PolarHBondContact O-N 3.36Å; L88-S92 PolarHBondContact O-OG 2.95Å; L88-H100 WeakPolarHBondContact CD2-CD2 3.49Å; L88-H100 WeakPolarHBondContact CD2-NE2 3.32Å; L88-H100 VanDerWaalsContact CG-CD2 3.42Å; L88-H100 WeakPolarHBondContact CG-CD2 3.38Å
89K95Very high93.2Very high76 Ų7636.5 Ų36.533%0.3321%0.208SC..Hα-helixtrans-68.3-35.6178.8-64.4-58.9-177.3-175.60112R85 A86 V87 S92 A93 L201 Y202R85-K89 WeakPolarHBondContact O-CG 3.48Å; R85-K89 PolarHBondContact O-N 3.44Å; R85-K89 VanDerWaalsContact O-N 3.08Å; A86-K89 PolarHBondContact O-N 3.06Å; V87-K89 PolarHBondContact O-N 3.04Å; K89-S92 WeakPolarHBondContact CA-OG 3.44Å; K89-S92 PolarHBondContact O-N 3.5Å; K89-S92 PolarHBondContact O-OG 3.44Å; K89-A93 WeakPolarHBondContact O-CB 3.39Å; K89-A93 PolarHBondContact O-N 3.31Å; K89-L201 HydrophobicContact CD-CD2 4.35Å; K89-L201 HydrophobicContact CD-CG 4.26Å; K89-L201 HydrophobicContact CG-CG 4.37Å; K89-Y202 HydrophobicContact CB-CD1 3.89Å; K89-Y202 HydrophobicContact CB-CD2 4.34Å; K89-Y202 HydrophobicContact CB-CE1 3.66Å; K89-Y202 HydrophobicContact CB-CE2 4.11Å; K89-Y202 HydrophobicContact CB-CG 4.23Å; K89-Y202 PolarHBondContact O-OH 3.13Å
90F95.9Very high93.2Very high0 Ų038.6 Ų38.60%021%0.214CC..Hα-helixtrans-61.8-47.4174.3-179.7-91.1000112V76 A86 V87 L88 A93 T94 A96 I123 W175 L178 A179 Y202V76-F90 HydrophobicContact CB-CD1 4.47Å; V76-F90 HydrophobicContact CG1-CD1 4.46Å; V76-F90 HydrophobicContact CG2-CD1 3.75Å; V76-F90 HydrophobicContact CG2-CE1 3.66Å; A86-F90 VanDerWaalsContact O-CB 3.27Å; A86-F90 WeakPolarHBondContact O-CB 3.32Å; A86-F90 PolarHBondContact O-N 3.33Å; V87-F90 WeakPolarHBondContact O-CB 3.27Å; V87-F90 PolarHBondContact O-N 3.25Å; L88-F90 VanDerWaalsContact C-N 3.34Å; F90-A93 PolarHBondContact O-N 3.26Å; F90-T94 HydrophobicContact CD2-CG2 4.36Å; F90-T94 HydrophobicContact CE1-CG2 4.13Å; F90-T94 WeakPolarHBondContact CE1-OG1 3.21Å; F90-T94 HydrophobicContact CE2-CG2 3.81Å; F90-T94 HydrophobicContact CZ-CG2 3.7Å; F90-T94 PolarHBondContact O-N 3.35Å; F90-T94 PolarHBondContact O-OG1 3.49Å; F90-A96 HydrophobicContact CE1-CB 4.33Å; F90-I123 HydrophobicContact CE1-CD1 4.34Å; F90-I123 HydrophobicContact CZ-CD1 4.44Å; F90-W175 HydrophobicContact CB-CE3 3.99Å; F90-W175 HydrophobicContact CD1-CE3 4.09Å; F90-W175 AromaticContact CD1-CZ3 3.95Å; F90-W175 HydrophobicContact CD1-CZ3 3.95Å; F90-W175 AromaticContact CD2-CE3 3.59Å; F90-W175 HydrophobicContact CD2-CE3 3.59Å; F90-W175 HydrophobicContact CD2-CZ3 4.14Å; F90-W175 HydrophobicContact CE1-CZ3 4.17Å; F90-W175 HydrophobicContact CE2-CE3 4.14Å; F90-W175 HydrophobicContact CE2-CZ3 4.37Å; F90-W175 AromaticContact CG-CE3 3.58Å; F90-W175 HydrophobicContact CG-CE3 3.58Å; F90-W175 AromaticContact CG-CZ3 3.94Å; F90-W175 HydrophobicContact CG-CZ3 3.94Å; F90-W175 HydrophobicContact CZ-CZ3 4.37Å; F90-L178 HydrophobicContact CD2-CD2 4.3Å; F90-L178 HydrophobicContact CE2-CB 4.4Å; F90-L178 HydrophobicContact CE2-CD2 3.21Å; F90-L178 HydrophobicContact CE2-CG 4.4Å; F90-L178 HydrophobicContact CZ-CD2 3.37Å; F90-A179 HydrophobicContact CD2-CB 3.64Å; F90-A179 HydrophobicContact CE2-CB 3.8Å; F90-Y202 HydrophobicContact CB-CE1 4.16Å
91A94.6Very high93.2Very high10 Ų1036.9 Ų36.98%0.08321%0.212CC..Hα-helixtrans-59.8-47.1174.500000112.4V87 L88 A93 T94 G95 A96 T98V87-A91 PolarHBondContact O-N 3.01Å; L88-A91 PolarHBondContact O-N 2.91Å; A91-A93 PolarHBondContact O-N 2.8Å; A91-T94 PolarHBondContact O-N 2.97Å; A91-G95 WeakPolarHBondContact O-CA 3.48Å; A91-G95 PolarHBondContact O-N 2.88Å; A91-A96 WeakPolarHBondContact CB-O 3.07Å; A91-A96 PolarHBondContact O-N 3.31Å; A91-T98 HydrophobicContact CB-CG2 3.28Å
92S93.9Very high93.3Very high93 Ų9343.3 Ų43.365%0.6523%0.231SC*.Hα-helixtrans-60.6-33.1179.463.10000112.8L88 K89L88-S92 PolarHBondContact O-N 3.36Å; L88-S92 PolarHBondContact O-OG 2.95Å; K89-S92 WeakPolarHBondContact CA-OG 3.44Å; K89-S92 PolarHBondContact O-N 3.5Å; K89-S92 PolarHBondContact O-OG 3.44Å
93A94.3Very high93.5Very high32 Ų3243.9 Ų43.926%0.26423%0.233SC..Hα-helixtrans-78.6-36.6179.700000112.6K89 F90 A91 A179 L183K89-A93 WeakPolarHBondContact O-CB 3.39Å; K89-A93 PolarHBondContact O-N 3.31Å; F90-A93 PolarHBondContact O-N 3.26Å; A91-A93 PolarHBondContact O-N 2.8Å; A93-A179 HydrophobicContact CB-CB 4.47Å; A93-L183 HydrophobicContact CB-CD1 4.42Å
94T93.3Very high93.6Very high7 Ų746.8 Ų46.84%0.04325%0.251CS..Hα-helixtrans-102.6-14.7-171.658.20000114.5P71 F90 A91 A96 A179 V182 R186P71-T94 WeakPolarHBondContact CB-O 3.15Å; F90-T94 HydrophobicContact CD2-CG2 4.36Å; F90-T94 HydrophobicContact CE1-CG2 4.13Å; F90-T94 WeakPolarHBondContact CE1-OG1 3.21Å; F90-T94 HydrophobicContact CE2-CG2 3.81Å; F90-T94 HydrophobicContact CZ-CG2 3.7Å; F90-T94 PolarHBondContact O-N 3.35Å; F90-T94 PolarHBondContact O-OG1 3.49Å; A91-T94 PolarHBondContact O-N 2.97Å; T94-A96 VanDerWaalsContact C-N 3.32Å; T94-A179 HydrophobicContact CG2-CB 4.35Å; T94-V182 HydrophobicContact CG2-CB 4.46Å; T94-V182 HydrophobicContact CG2-CG1 4.16Å; T94-R186 PolarHBondContact O-NH1 3.02Å
95G93.3Very high93.7Very high40 Ų4046.9 Ų46.941%0.41226%0.257SS..THydrogen-bonded Turntrans77.813-171.800000114.3P71 A72 A91P71-G95 CarbonylContact C-O 3.55Å; A72-G95 WeakPolarHBondContact CA-O 3.38Å; A72-G95 PolarHBondContact N-O 3.44Å; A91-G95 WeakPolarHBondContact O-CA 3.48Å; A91-G95 PolarHBondContact O-N 2.88Å
96A95.1Very high93.8Very high11 Ų1144 Ų449%0.09125%0.249CC..  trans-72.7155.2178.400000112.3P71 V74 V76 F90 A91 T94P71-A96 WeakPolarHBondContact O-CA 3.41Å; V74-A96 HydrophobicContact CB-CB 4.17Å; V74-A96 HydrophobicContact CG1-CB 4.3Å; V74-A96 WeakPolarHBondContact O-CB 3.3Å; V76-A96 HydrophobicContact CG2-CB 4.22Å; F90-A96 HydrophobicContact CE1-CB 4.33Å; A91-A96 WeakPolarHBondContact CB-O 3.07Å; A91-A96 PolarHBondContact O-N 3.31Å; T94-A96 VanDerWaalsContact C-N 3.32Å
97T94.7Very high93.8Very high43 Ų4344 Ų4426%0.26425%0.249SC..EExtended strand (participates in β ladder)trans-84.4145.1172.250.60000110.7A72 V74 C75 V76A72-T97 HydrophobicContact CB-CG2 4.38Å; A72-T97 WeakPolarHBondContact O-CG2 3.31Å; A72-T97 PolarHBondContact O-OG1 2.88Å; V74-T97 PolarHBondContact O-N 2.94Å; V74-T97 PolarHBondContact O-OG1 3.49Å; V74-T97 VanDerWaalsContact O-OG1 3.08Å; C75-T97 CarbonylContact C-O 3.53Å; C75-T97 WeakPolarHBondContact CA-O 3.17Å; V76-T97 PolarHBondContact N-O 3.46Å
98T94.9Very high93.8Very high33 Ų3344.2 Ų44.220%0.20225%0.25CS..EExtended strand (participates in β ladder)trans-132.1143.4-17442.70000114.9V76 V87 A91 H100V76-T98 HydrophobicContact CB-CG2 3.9Å; V76-T98 VanDerWaalsContact O-CA 3.31Å; V76-T98 WeakPolarHBondContact O-CA 3.35Å; V87-T98 HydrophobicContact CG1-CG2 3.29Å; A91-T98 HydrophobicContact CB-CG2 3.28Å; T98-H100 WeakPolarHBondContact CB-NE2 3.2Å; T98-H100 PolarHBondContact OG1-NE2 3.36Å
99F92.1Very high93.8Very high44 Ų4443.4 Ų43.419%0.19325%0.249CC..EExtended strand (participates in β ladder)trans-118.3117.1164.3-63.5-83.8000109.3C75 V76 I77 S78 T107 F108 R117C75-F99 WeakPolarHBondContact SG-CD2 3.4Å; C75-F99 WeakPolarHBondContact SG-CE2 3.43Å; V76-F99 PolarHBondContact O-N 3.39Å; I77-F99 WeakPolarHBondContact CA-O 3.39Å; I77-F99 HydrophobicContact CD1-CB 4.36Å; I77-F99 HydrophobicContact CD1-CD2 3.94Å; I77-F99 HydrophobicContact CG1-CB 4.14Å; I77-F99 HydrophobicContact CG1-CD2 4.1Å; I77-F99 HydrophobicContact CG2-CB 4.39Å; S78-F99 PolarHBondContact N-O 3.25Å; S78-F99 VanDerWaalsContact N-O 3.15Å; F99-T107 HydrophobicContact CE1-CG2 3.86Å; F99-T107 HydrophobicContact CE2-CG2 4.09Å; F99-T107 HydrophobicContact CZ-CG2 3.47Å; F99-T107 VanDerWaalsContact CZ-CG2 3.47Å; F99-F108 HydrophobicContact CE2-CE1 4.38Å; F99-R117 HydrophobicContact CE2-CB 4.49Å; F99-R117 HydrophobicContact CE2-CG 4.3Å; F99-R117 HydrophobicContact CZ-CB 4.23Å; F99-R117 HydrophobicContact CZ-CG 3.73Å
100H91.1Very high93.8Very high81 Ų8142.7 Ų42.738%0.37525%0.248SC..EExtended strand (participates in β ladder)trans-112.7132179.8180.6000108.4Q84 L88 T98Q84-H100 HydrophobicContact CB-CB 4.32Å; Q84-H100 HydrophobicContact CG-CB 4.25Å; L88-H100 WeakPolarHBondContact CD2-CD2 3.49Å; L88-H100 WeakPolarHBondContact CD2-NE2 3.32Å; L88-H100 VanDerWaalsContact CG-CD2 3.42Å; L88-H100 WeakPolarHBondContact CG-CD2 3.38Å; T98-H100 WeakPolarHBondContact CB-NE2 3.2Å; T98-H100 PolarHBondContact OG1-NE2 3.36Å
101G90.5Very high93.7Very high14 Ų1449.9 Ų49.914%0.14428%0.282CS..SBendtrans84-146.7179.900000112.6S78 S79 F103S78-G101 PolarHBondContact O-N 3.23Å; S79-G101 VanDerWaalsContact CA-O 3.25Å; S79-G101 WeakPolarHBondContact CA-O 3.39Å; G101-F103 PolarHBondContact O-N 2.88Å; G101-F103 VanDerWaalsContact O-N 3.1Å
102R92.4Very high93.7Very high203 Ų20357 Ų5777%0.76632%0.317SS*.SBendtrans-63.8117-171.6-174177.3-177-79.80.8110.7
103F93.6Very high93.6Very high17 Ų1755.1 Ų55.18%0.07530%0.298CS..PPolyproline II helixtrans-70.7131.1172.2-175.5-104000110.2I77 G101 P105 T107 F108 Q132 P133I77-F103 HydrophobicContact CD1-CD2 3.82Å; I77-F103 HydrophobicContact CD1-CE2 3.62Å; I77-F103 HydrophobicContact CG2-CD2 4.45Å; G101-F103 PolarHBondContact O-N 2.88Å; G101-F103 VanDerWaalsContact O-N 3.1Å; F103-P105 WeakPolarHBondContact O-CD 3.43Å; F103-T107 HydrophobicContact CE2-CG2 4.1Å; F103-T107 HydrophobicContact CZ-CG2 4.34Å; F103-F108 HydrophobicContact CE2-CE1 4.47Å; F103-F108 HydrophobicContact CE2-CE2 4.23Å; F103-F108 HydrophobicContact CE2-CZ 4.08Å; F103-F108 HydrophobicContact CZ-CD2 4.11Å; F103-F108 AromaticContact CZ-CE2 3.91Å; F103-F108 HydrophobicContact CZ-CE2 3.91Å; F103-F108 HydrophobicContact CZ-CZ 4.18Å; F103-Q132 HydrophobicContact CD1-CB 4.15Å; F103-Q132 HydrophobicContact CD1-CG 3.7Å; F103-Q132 HydrophobicContact CE1-CG 4.01Å; F103-P133 HydrophobicContact CD1-CB 4.38Å; F103-P133 HydrophobicContact CD2-CB 4.32Å; F103-P133 HydrophobicContact CE1-CB 4.09Å; F103-P133 HydrophobicContact CE2-CB 4.05Å; F103-P133 HydrophobicContact CG-CB 4.47Å; F103-P133 HydrophobicContact CZ-CB 3.91Å
104T92.9Very high93.4Very high62 Ų6258.6 Ų58.638%0.3833%0.327SS..PPolyproline II helixtrans-83.2118.6176.6-59.30000108.8G106 T107T104-G106 PolarHBondContact O-N 3.07Å; T104-T107 WeakPolarHBondContact O-CB 3.31Å; T104-T107 PolarHBondContact O-N 3.28Å; T104-T107 PolarHBondContact O-OG1 3.39Å
105P94Very high93.3Very high63 Ų6360.2 Ų60.241%0.40934%0.341SS..THydrogen-bonded Turntrans-61.4138.7177.5-23.234.9000111.5F103 Q113 Q132 E136F103-P105 WeakPolarHBondContact O-CD 3.43Å; P105-Q113 PolarHBondContact O-NE2 3.15Å; P105-Q113 VanDerWaalsContact O-NE2 3.17Å; P105-Q132 HydrophobicContact CG-CG 4.47Å; P105-E136 WeakPolarHBondContact CA-OE1 3.37Å
106G93.8Very high93.3Very high10 Ų1060.2 Ų60.210%0.10333%0.33CS..THydrogen-bonded Turntrans87.96.6-176.100000114.3T104 F108 T109 N110 Q113 E136T104-G106 PolarHBondContact O-N 3.07Å; G106-F108 PolarHBondContact O-N 3.29Å; G106-T109 WeakPolarHBondContact CA-OG1 3.42Å; G106-T109 PolarHBondContact O-N 3.05Å; G106-N110 VanDerWaalsContact O-CB 3.25Å; G106-N110 WeakPolarHBondContact O-CB 3.35Å; G106-N110 PolarHBondContact O-N 3.27Å; G106-Q113 PolarHBondContact O-OE1 2.96Å; G106-E136 WeakPolarHBondContact CA-OE2 3.21Å; G106-E136 VanDerWaalsContact N-CD 3.31Å; G106-E136 PolarHBondContact N-OE1 3.02Å; G106-E136 PolarHBondContact N-OE2 3.21Å
107T94.6Very high93.1Very high1 Ų165.5 Ų65.51%0.00635%0.347CS..THydrogen-bonded Turntrans-58.9-33.8179.1-65.40000112F99 F103 T104 A115 F116 R117 E136F99-T107 HydrophobicContact CE1-CG2 3.86Å; F99-T107 HydrophobicContact CE2-CG2 4.09Å; F99-T107 HydrophobicContact CZ-CG2 3.47Å; F99-T107 VanDerWaalsContact CZ-CG2 3.47Å; F103-T107 HydrophobicContact CE2-CG2 4.1Å; F103-T107 HydrophobicContact CZ-CG2 4.34Å; T104-T107 WeakPolarHBondContact O-CB 3.31Å; T104-T107 PolarHBondContact O-N 3.28Å; T104-T107 PolarHBondContact O-OG1 3.39Å; T107-A115 WeakPolarHBondContact CG2-O 3.45Å; T107-F116 WeakPolarHBondContact O-CA 3.45Å; T107-F116 WeakPolarHBondContact O-CD2 3.17Å; T107-R117 PolarHBondContact O-N 3.45Å; T107-E136 PolarHBondContact N-OE2 2.99Å
108F95Very high93Very high4 Ų469.4 Ų69.42%0.01836%0.363CS..THydrogen-bonded Turntrans-96.2-18.1179.4-58-34.1000114I77 F99 F103 G106 F116 R117 P119 L122 P133 E136 V140 I142I77-F108 HydrophobicContact CD1-CE2 4.31Å; I77-F108 HydrophobicContact CD1-CZ 3.72Å; F99-F108 HydrophobicContact CE2-CE1 4.38Å; F103-F108 HydrophobicContact CE2-CE1 4.47Å; F103-F108 HydrophobicContact CE2-CE2 4.23Å; F103-F108 HydrophobicContact CE2-CZ 4.08Å; F103-F108 HydrophobicContact CZ-CD2 4.11Å; F103-F108 AromaticContact CZ-CE2 3.91Å; F103-F108 HydrophobicContact CZ-CE2 3.91Å; F103-F108 HydrophobicContact CZ-CZ 4.18Å; G106-F108 PolarHBondContact O-N 3.29Å; F108-F116 WeakPolarHBondContact O-CE2 3.44Å; F108-R117 WeakPolarHBondContact CD1-O 3.27Å; F108-P119 HydrophobicContact CD1-CG 4.14Å; F108-P119 HydrophobicContact CE1-CG 3.62Å; F108-P119 HydrophobicContact CZ-CG 4.02Å; F108-L122 HydrophobicContact CE2-CD1 3.57Å; F108-L122 HydrophobicContact CZ-CD1 3.41Å; F108-L122 VanDerWaalsContact CZ-CD1 3.41Å; F108-P133 HydrophobicContact CE2-CB 3.98Å; F108-E136 HydrophobicContact CB-CB 4.23Å; F108-E136 HydrophobicContact CD2-CB 3.76Å; F108-E136 HydrophobicContact CG-CB 4.45Å; F108-E136 PolarHBondContact N-OE2 3.03Å; F108-V140 HydrophobicContact CB-CG2 4.42Å; F108-I142 HydrophobicContact CG-CD1 4.43Å
109T94.8Very high93Very high68 Ų6868.2 Ų68.242%0.41736%0.355SS..THydrogen-bonded Turntrans-110.2-26.2-172.357.20000113.8G106 Y139 V140G106-T109 WeakPolarHBondContact CA-OG1 3.42Å; G106-T109 PolarHBondContact O-N 3.05Å; T109-Y139 HydrophobicContact CG2-CD2 4.01Å; T109-Y139 HydrophobicContact CG2-CG 4.46Å; T109-V140 HydrophobicContact CG2-CG2 4.03Å
110N94.9Very high93.2Very high60 Ų6073.3 Ų73.332%0.32137%0.373SS..  trans-100.9101.4-173.9-173.4-3.6000112.1G106 I112 Q113 F116G106-N110 VanDerWaalsContact O-CB 3.25Å; G106-N110 WeakPolarHBondContact O-CB 3.35Å; G106-N110 PolarHBondContact O-N 3.27Å; N110-I112 PolarHBondContact O-N 3.46Å; N110-I112 WeakPolarHBondContact OD1-CB 3.37Å; N110-I112 PolarHBondContact OD1-N 3.32Å; N110-I112 VanDerWaalsContact OD1-N 3.08Å; N110-Q113 HydrophobicContact CB-CG 4.12Å; N110-Q113 PolarHBondContact O-N 3.47Å; N110-F116 WeakPolarHBondContact O-CD2 3.2Å
111Q93.3Very high93.4Very high151 Ų15169.9 Ų69.971%0.70636%0.357SS*.THydrogen-bonded Turntrans-65.6-17.4-179.5-64.5174.9000114.4F116Q111-F116 HydrophobicContact CB-CZ 4.48Å; Q111-F116 HydrophobicContact CG-CE1 4.02Å; Q111-F116 HydrophobicContact CG-CE2 3.97Å; Q111-F116 HydrophobicContact CG-CZ 3.64Å
112I94.6Very high93.8Very high161 Ų16169.2 Ų69.283%0.82635%0.351SS*.THydrogen-bonded Turntrans-79.9-22.3-179.2-61.8164.8000111.1N110N110-I112 PolarHBondContact O-N 3.46Å; N110-I112 WeakPolarHBondContact OD1-CB 3.37Å; N110-I112 PolarHBondContact OD1-N 3.32Å; N110-I112 VanDerWaalsContact OD1-N 3.08Å
113Q92.5Very high94Very high52 Ų5259.6 Ų59.624%0.24331%0.314CS..SBendtrans-70.3137.9-178.6-72.3-176.5-5.800111.7P105 G106 N110 A115 F116P105-Q113 PolarHBondContact O-NE2 3.15Å; P105-Q113 VanDerWaalsContact O-NE2 3.17Å; G106-Q113 PolarHBondContact O-OE1 2.96Å; N110-Q113 HydrophobicContact CB-CG 4.12Å; N110-Q113 PolarHBondContact O-N 3.47Å; Q113-A115 PolarHBondContact O-N 3.43Å; Q113-F116 WeakPolarHBondContact O-CB 3.46Å; Q113-F116 PolarHBondContact O-N 2.66Å
114A91.1Very high94.1Very high105 Ų10558.8 Ų58.887%0.86831%0.311SS*.THydrogen-bonded Turntrans-62.1-29.1174.600000113.1F116A114-F116 VanDerWaalsContact C-N 3.26Å; A114-F116 PolarHBondContact O-N 3.03Å
115A89.5Confident94.2Very high41 Ų4156 Ų5634%0.33929%0.294SS..THydrogen-bonded Turntrans-84.77.1177.800000113.5T107 Q113 R117T107-A115 WeakPolarHBondContact CG2-O 3.45Å; Q113-A115 PolarHBondContact O-N 3.43Å; A115-R117 PolarHBondContact O-N 3.5Å
116F93.4Very high94.2Very high40 Ų4053.7 Ų53.718%0.17528%0.278CS..  trans-57.3130.6-179.7-179.8-109.8000111.7T107 F108 N110 Q111 Q113 A114 E118T107-F116 WeakPolarHBondContact O-CA 3.45Å; T107-F116 WeakPolarHBondContact O-CD2 3.17Å; F108-F116 WeakPolarHBondContact O-CE2 3.44Å; N110-F116 WeakPolarHBondContact O-CD2 3.2Å; Q111-F116 HydrophobicContact CB-CZ 4.48Å; Q111-F116 HydrophobicContact CG-CE1 4.02Å; Q111-F116 HydrophobicContact CG-CE2 3.97Å; Q111-F116 HydrophobicContact CG-CZ 3.64Å; Q113-F116 WeakPolarHBondContact O-CB 3.46Å; Q113-F116 PolarHBondContact O-N 2.66Å; A114-F116 VanDerWaalsContact C-N 3.26Å; A114-F116 PolarHBondContact O-N 3.03Å; F116-E118 HydrophobicContact CE1-CG 3.52Å; F116-E118 WeakPolarHBondContact CE1-OE1 3.31Å; F116-E118 HydrophobicContact CE2-CG 4.27Å; F116-E118 HydrophobicContact CZ-CG 3.38Å; F116-E118 WeakPolarHBondContact CZ-OE1 3.41Å
117R91.7Very high94.2Very high122 Ų12253.4 Ų53.446%0.4627%0.274SS..  trans-142144.5177.3-65.8-63.9-178.8-91.91.4109.7F99 T107 F108 A115 P119F99-R117 HydrophobicContact CE2-CB 4.49Å; F99-R117 HydrophobicContact CE2-CG 4.3Å; F99-R117 HydrophobicContact CZ-CB 4.23Å; F99-R117 HydrophobicContact CZ-CG 3.73Å; T107-R117 PolarHBondContact O-N 3.45Å; F108-R117 WeakPolarHBondContact CD1-O 3.27Å; A115-R117 PolarHBondContact O-N 3.5Å; R117-P119 VanDerWaalsContact C-CD 3.48Å; R117-P119 VanDerWaalsContact O-CD 3.3Å; R117-P119 WeakPolarHBondContact O-CD 3.49Å
118E92.8Very high94.1Very high126 Ų12660.3 Ų60.359%0.58930%0.3SS*.  trans-119.475.9177.6-64.6-178.4154.900109.8F116F116-E118 HydrophobicContact CE1-CG 3.52Å; F116-E118 WeakPolarHBondContact CE1-OE1 3.31Å; F116-E118 HydrophobicContact CE2-CG 4.27Å; F116-E118 HydrophobicContact CZ-CG 3.38Å; F116-E118 WeakPolarHBondContact CZ-OE1 3.41Å
119P94.8Very high94Very high7 Ų762 Ų625%0.04532%0.315CS..  trans-73.6145.718029-30.6000111.5D73 C75 F108 R117 I142D73-P119 CarbonylContact O-C 3.55Å; D73-P119 WeakPolarHBondContact O-CA 3.14Å; D73-P119 VanDerWaalsContact O-CB 3.28Å; D73-P119 WeakPolarHBondContact O-CB 3.44Å; C75-P119 HydrophobicContact CB-CB 3.32Å; C75-P119 HydrophobicContact CB-CG 3.57Å; F108-P119 HydrophobicContact CD1-CG 4.14Å; F108-P119 HydrophobicContact CE1-CG 3.62Å; F108-P119 HydrophobicContact CZ-CG 4.02Å; R117-P119 VanDerWaalsContact C-CD 3.48Å; R117-P119 VanDerWaalsContact O-CD 3.3Å; R117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-I142 HydrophobicContact CG-CD1 4.06Å; P119-I142 WeakPolarHBondContact O-CD1 3.3Å; P119-I142 WeakPolarHBondContact O-CG1 3.38Å; P119-I142 WeakPolarHBondContact O-CG2 3.42Å
120R95.8Very high94Very high152 Ų15258.9 Ų58.957%0.57430%0.296SS*.SBendtrans-83-17.5175-65.2-171.869.7176.21.4112.9D73 P143D73-R120 HydrophobicContact CB-CB 4.32Å; D73-R120 HydrophobicContact CB-CG 4.1Å; D73-R120 PolarHBondContact O-N 2.88Å; R120-P143 WeakPolarHBondContact O-CD 3.14Å; R120-P143 WeakPolarHBondContact O-CG 3.33Å
121L96.6Very high94Very high8 Ų861.1 Ų61.14%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-150.3136.8176.2-176.6151.7000110.1A64 I65 I68 V74 C75 I123 I145A64-L121 HydrophobicContact CB-CD1 4.15Å; I65-L121 HydrophobicContact CG1-CD2 4.17Å; I68-L121 HydrophobicContact CD1-CB 3.32Å; I68-L121 HydrophobicContact CD1-CD1 3.77Å; I68-L121 HydrophobicContact CD1-CG 4.13Å; V74-L121 HydrophobicContact CG1-CD2 3.9Å; C75-L121 PolarHBondContact N-O 3.44Å; L121-I123 HydrophobicContact CD2-CD1 4.04Å; L121-I123 HydrophobicContact CD2-CG1 3.45Å; L121-I123 VanDerWaalsContact CD2-CG1 3.45Å; L121-I145 HydrophobicContact CD1-CD1 4.1Å; L121-I145 HydrophobicContact CD2-CD1 4.05Å; L121-I145 HydrophobicContact CD2-CG1 4.29Å; L121-I145 HydrophobicContact CG-CD1 4.46Å
122L96.9Very high94.1Very high0 Ų057.1 Ų57.10%029%0.285CS..EExtended strand (participates in β ladder)trans-108.5133.5179.2-170.689000110C75 I77 F108 V124 P133 L134 A137 I142 P143 T144 I145C75-L122 CarbonylContact O-C 3.51Å; C75-L122 WeakPolarHBondContact O-CA 3.37Å; I77-L122 HydrophobicContact CD1-CD1 3.75Å; I77-L122 HydrophobicContact CG1-CD1 4.15Å; F108-L122 HydrophobicContact CE2-CD1 3.57Å; F108-L122 HydrophobicContact CZ-CD1 3.41Å; F108-L122 VanDerWaalsContact CZ-CD1 3.41Å; L122-V124 HydrophobicContact CD2-CG2 3.36Å; L122-V124 HydrophobicContact CG-CG2 3.82Å; L122-P133 HydrophobicContact CD2-CB 4.45Å; L122-L134 HydrophobicContact CD2-CD2 4.06Å; L122-A137 HydrophobicContact CD2-CB 4.26Å; L122-I142 HydrophobicContact CB-CG2 4.05Å; L122-P143 PolarHBondContact N-O 2.97Å; L122-T144 HydrophobicContact CB-CG2 4.01Å; L122-T144 HydrophobicContact CD2-CG2 3.69Å; L122-T144 CarbonylContact O-C 3.55Å; L122-T144 WeakPolarHBondContact O-CA 3.28Å; L122-I145 PolarHBondContact O-N 3.43Å
123I97Very high94.1Very high1 Ų149.6 Ų49.61%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-120129.4168.7-40.9176.6000109.6I65 V74 C75 V76 I77 F90 L121 I145 W175I65-I123 HydrophobicContact CD1-CD1 3.41Å; I65-I123 VanDerWaalsContact CD1-CD1 3.41Å; I65-I123 HydrophobicContact CG1-CD1 3.91Å; V74-I123 HydrophobicContact CG1-CD1 4Å; V74-I123 HydrophobicContact CG1-CG1 4.28Å; C75-I123 PolarHBondContact O-N 3.34Å; V76-I123 WeakPolarHBondContact CA-O 3.41Å; V76-I123 HydrophobicContact CG1-CB 4.37Å; V76-I123 HydrophobicContact CG2-CB 4.12Å; V76-I123 HydrophobicContact CG2-CD1 3.93Å; V76-I123 HydrophobicContact CG2-CG1 4.2Å; I77-I123 PolarHBondContact N-O 3.12Å; F90-I123 HydrophobicContact CE1-CD1 4.34Å; F90-I123 HydrophobicContact CZ-CD1 4.44Å; L121-I123 HydrophobicContact CD2-CD1 4.04Å; L121-I123 HydrophobicContact CD2-CG1 3.45Å; L121-I123 VanDerWaalsContact CD2-CG1 3.45Å; I123-I145 CarbonylContact C-O 3.58Å; I123-I145 VanDerWaalsContact CA-O 3.3Å; I123-I145 WeakPolarHBondContact CA-O 3.12Å; I123-I145 HydrophobicContact CG1-CB 4.45Å; I123-I145 HydrophobicContact CG2-CB 4.16Å; I123-I145 HydrophobicContact CG2-CG2 4.28Å; I123-W175 HydrophobicContact CB-CH2 3.9Å; I123-W175 HydrophobicContact CB-CZ3 4.41Å; I123-W175 HydrophobicContact CD1-CZ3 4.5Å; I123-W175 HydrophobicContact CG2-CH2 3.35Å; I123-W175 HydrophobicContact CG2-CZ2 4.32Å; I123-W175 HydrophobicContact CG2-CZ3 3.89Å
124V95.9Very high94.3Very high0 Ų047.4 Ų47.40%024%0.237CC..EExtended strand (participates in β ladder)trans-123.8139.7-172174.40000111.1L122 D130 L134 I145 A146 L147L122-V124 HydrophobicContact CD2-CG2 3.36Å; L122-V124 HydrophobicContact CG-CG2 3.82Å; V124-D130 HydrophobicContact CG1-CB 3.26Å; V124-D130 WeakPolarHBondContact CG1-OD2 3.5Å; V124-L134 HydrophobicContact CG2-CD2 4.02Å; V124-L134 HydrophobicContact CG2-CG 4.44Å; V124-I145 PolarHBondContact N-O 3.43Å; V124-A146 HydrophobicContact CB-CB 4.35Å; V124-A146 WeakPolarHBondContact O-CA 3.39Å; V124-L147 PolarHBondContact O-N 3.23Å
125T94.9Very high94.5Very high5 Ų544.4 Ų44.43%0.03121%0.208CC..SBendtrans-79-37179.8530000115.6I77 S78 V87 D130 L147 W175I77-T125 PolarHBondContact O-N 3.17Å; S78-T125 WeakPolarHBondContact CA-OG1 3.48Å; S78-T125 WeakPolarHBondContact CB-OG1 3.39Å; S78-T125 PolarHBondContact OG-OG1 3.05Å; V87-T125 HydrophobicContact CG2-CG2 4.03Å; T125-D130 PolarHBondContact N-OD2 3.01Å; T125-D130 PolarHBondContact OG1-OD2 2.77Å; T125-L147 VanDerWaalsContact O-CB 3.32Å; T125-L147 WeakPolarHBondContact O-CB 3.16Å; T125-L147 VanDerWaalsContact O-O 3.09Å; T125-W175 HydrophobicContact CG2-CZ2 3.49Å; T125-W175 VanDerWaalsContact CG2-CZ2 3.49Å; T125-W175 VanDerWaalsContact CG2-NE1 3.33Å
126D93.8Very high94.8Very high13 Ų1342.8 Ų42.87%0.0719%0.193CC..  trans-151.8114.6178.9-175.9-5.7000108.9R80 R128 A129 D130 N165R80-D126 IonicContact NH1-OD2 3.45Å; R80-D126 PolarHBondContact NH1-OD2 3.17Å; D126-R128 PolarHBondContact O-N 3.01Å; D126-R128 PolarHBondContact OD1-N 3.19Å; D126-A129 HydrophobicContact CB-CB 4.21Å; D126-A129 PolarHBondContact O-N 3.08Å; D126-D130 PolarHBondContact N-OD2 3.22Å; D126-D130 VanDerWaalsContact N-OD2 3.15Å; D126-D130 VanDerWaalsContact O-CB 3.26Å; D126-D130 WeakPolarHBondContact O-CB 3.39Å; D126-D130 PolarHBondContact O-N 3.2Å; D126-N165 PolarHBondContact OD1-ND2 3.04Å; D126-N165 VanDerWaalsContact OD1-ND2 3.15Å; D126-N165 PolarHBondContact OD2-ND2 2.9Å
127P94.6Very high94.9Very high4 Ų441 Ų413%0.02619%0.186CC..THydrogen-bonded Turntrans-62.9-18.7-177.927.5-36.6000113.3H131 L134 L147 V157P127-H131 WeakPolarHBondContact O-CA 3.26Å; P127-H131 WeakPolarHBondContact O-CB 3.28Å; P127-H131 PolarHBondContact O-N 3.41Å; P127-L134 HydrophobicContact CB-CD1 3.55Å; P127-L147 WeakPolarHBondContact CD-O 3.44Å; P127-V157 HydrophobicContact CB-CG2 4.38Å
128R93Very high95.1Very high146 Ų14637.2 Ų37.255%0.55118%0.178SC*.THydrogen-bonded Turntrans-76.6-47.6176.1-64.8-174.665.5-176.9-1.3111.8D126 H131 D151 P153D126-R128 PolarHBondContact O-N 3.01Å; D126-R128 PolarHBondContact OD1-N 3.19Å; R128-H131 PolarHBondContact O-ND1 3.23Å; R128-D151 IonicContact NH1-OD2 3.01Å; R128-D151 PolarHBondContact NH1-OD2 2.88Å; R128-P153 VanDerWaalsContact CG-CD 3.47Å; R128-P153 HydrophobicContact CG-CG 4.23Å
129A92.9Very high95.2Very high39 Ų3939.1 Ų39.132%0.32218%0.181SC..THydrogen-bonded Turntrans-73.2-42.6179.300000110.8D126 H131D126-A129 HydrophobicContact CB-CB 4.21Å; D126-A129 PolarHBondContact O-N 3.08Å; A129-H131 PolarHBondContact O-N 3.29Å
130D94.3Very high95.2Very high3 Ų341.5 Ų41.52%0.01620%0.196CC..THydrogen-bonded Turntrans-98.238.2-174.7-55.3-42.3000111.7S79 V124 T125 D126 Q132 P133 L134S79-D130 WeakPolarHBondContact CA-OD1 3.17Å; S79-D130 WeakPolarHBondContact CB-OD1 3.5Å; S79-D130 PolarHBondContact N-OD1 3.24Å; S79-D130 PolarHBondContact OG-OD1 2.99Å; V124-D130 HydrophobicContact CG1-CB 3.26Å; V124-D130 WeakPolarHBondContact CG1-OD2 3.5Å; T125-D130 PolarHBondContact N-OD2 3.01Å; T125-D130 PolarHBondContact OG1-OD2 2.77Å; D126-D130 PolarHBondContact N-OD2 3.22Å; D126-D130 VanDerWaalsContact N-OD2 3.15Å; D126-D130 VanDerWaalsContact O-CB 3.26Å; D126-D130 WeakPolarHBondContact O-CB 3.39Å; D126-D130 PolarHBondContact O-N 3.2Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 2.78Å; D130-P133 HydrophobicContact CB-CG 4Å; D130-P133 WeakPolarHBondContact O-CD 3.39Å; D130-P133 WeakPolarHBondContact O-CG 3.49Å; D130-L134 WeakPolarHBondContact O-CG 3.45Å
131H94.4Very high95.1Very high107 Ų10741.3 Ų41.350%0.49521%0.206SC..Hα-helixtrans-68.5-28.5-179.761.2-85.8000112.8P127 R128 A129 L134 T135P127-H131 WeakPolarHBondContact O-CA 3.26Å; P127-H131 WeakPolarHBondContact O-CB 3.28Å; P127-H131 PolarHBondContact O-N 3.41Å; R128-H131 PolarHBondContact O-ND1 3.23Å; A129-H131 PolarHBondContact O-N 3.29Å; H131-L134 WeakPolarHBondContact O-CB 3.4Å; H131-L134 PolarHBondContact O-N 3.18Å; H131-T135 PolarHBondContact O-N 3.26Å; H131-T135 PolarHBondContact O-OG1 2.84Å
132Q95.3Very high95Very high68 Ų6841.6 Ų41.632%0.31821%0.207SC..Hα-helixtrans-63-50.8179.9-17463.834.200113.5F103 P105 D130 L134 T135 E136F103-Q132 HydrophobicContact CD1-CB 4.15Å; F103-Q132 HydrophobicContact CD1-CG 3.7Å; F103-Q132 HydrophobicContact CE1-CG 4.01Å; P105-Q132 HydrophobicContact CG-CG 4.47Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 2.78Å; Q132-L134 PolarHBondContact O-N 2.95Å; Q132-T135 PolarHBondContact O-N 3.08Å; Q132-T135 PolarHBondContact O-OG1 2.98Å; Q132-E136 PolarHBondContact NE2-OE1 2.84Å; Q132-E136 PolarHBondContact O-N 2.82Å; Q132-E136 VanDerWaalsContact O-N 3.11Å
133P95.9Very high95Very high2 Ų244.6 Ų44.61%0.01323%0.226CC..Hα-helixtrans-64.7-27.9174.624.7-35.5000112.8I77 F103 F108 L122 D130 E136 A137I77-P133 HydrophobicContact CD1-CB 3.74Å; I77-P133 HydrophobicContact CD1-CG 4.29Å; I77-P133 HydrophobicContact CG2-CG 4.18Å; F103-P133 HydrophobicContact CD1-CB 4.38Å; F103-P133 HydrophobicContact CD2-CB 4.32Å; F103-P133 HydrophobicContact CE1-CB 4.09Å; F103-P133 HydrophobicContact CE2-CB 4.05Å; F103-P133 HydrophobicContact CG-CB 4.47Å; F103-P133 HydrophobicContact CZ-CB 3.91Å; F108-P133 HydrophobicContact CE2-CB 3.98Å; L122-P133 HydrophobicContact CD2-CB 4.45Å; D130-P133 HydrophobicContact CB-CG 4Å; D130-P133 WeakPolarHBondContact O-CD 3.39Å; D130-P133 WeakPolarHBondContact O-CG 3.49Å; P133-E136 PolarHBondContact O-N 2.83Å; P133-A137 VanDerWaalsContact O-CB 3.31Å; P133-A137 WeakPolarHBondContact O-CB 3.49Å; P133-A137 PolarHBondContact O-N 2.65Å
134L95.9Very high95Very high6 Ų644.7 Ų44.73%0.03123%0.227CC..Hα-helixtrans-68.7-38.5175.4-68.6175.3000112.6L122 V124 P127 D130 H131 Q132 S138 T144 V157L122-L134 HydrophobicContact CD2-CD2 4.06Å; V124-L134 HydrophobicContact CG2-CD2 4.02Å; V124-L134 HydrophobicContact CG2-CG 4.44Å; P127-L134 HydrophobicContact CB-CD1 3.55Å; D130-L134 WeakPolarHBondContact O-CG 3.45Å; H131-L134 WeakPolarHBondContact O-CB 3.4Å; H131-L134 PolarHBondContact O-N 3.18Å; Q132-L134 PolarHBondContact O-N 2.95Å; L134-S138 PolarHBondContact O-N 2.84Å; L134-T144 HydrophobicContact CD2-CG2 4.06Å; L134-V157 HydrophobicContact CD1-CG2 4.3Å; L134-V157 HydrophobicContact CD2-CG2 4.41Å
135T95.4Very high95.1Very high43 Ų4344.8 Ų44.826%0.26423%0.228SC..Hα-helixtrans-69-39.3174.154.80000111H131 Q132 S138 Y156H131-T135 PolarHBondContact O-N 3.26Å; H131-T135 PolarHBondContact O-OG1 2.84Å; Q132-T135 PolarHBondContact O-N 3.08Å; Q132-T135 PolarHBondContact O-OG1 2.98Å; T135-S138 WeakPolarHBondContact O-CB 3.35Å; T135-S138 PolarHBondContact O-N 3.06Å; T135-S138 PolarHBondContact O-OG 3.41Å; T135-Y156 HydrophobicContact CG2-CE2 4.45Å
136E95.6Very high95.2Very high6 Ų644.5 Ų44.53%0.02823%0.226CC..Hα-helixtrans-68-36.5177.2-74-176.7-146.200113.2P105 G106 T107 F108 Q132 P133 S138 Y139P105-E136 WeakPolarHBondContact CA-OE1 3.37Å; G106-E136 WeakPolarHBondContact CA-OE2 3.21Å; G106-E136 VanDerWaalsContact N-CD 3.31Å; G106-E136 PolarHBondContact N-OE1 3.02Å; G106-E136 PolarHBondContact N-OE2 3.21Å; T107-E136 PolarHBondContact N-OE2 2.99Å; F108-E136 HydrophobicContact CB-CB 4.23Å; F108-E136 HydrophobicContact CD2-CB 3.76Å; F108-E136 HydrophobicContact CG-CB 4.45Å; F108-E136 PolarHBondContact N-OE2 3.03Å; Q132-E136 PolarHBondContact NE2-OE1 2.84Å; Q132-E136 PolarHBondContact O-N 2.82Å; Q132-E136 VanDerWaalsContact O-N 3.11Å; P133-E136 PolarHBondContact O-N 2.83Å; E136-S138 PolarHBondContact O-N 3.15Å; E136-Y139 PolarHBondContact O-N 2.65Å
137A96Very high95.3Very high2 Ų244 Ų442%0.01722%0.224CC..Hα-helixtrans-57.4-34.2173.100000112.3L122 P133 Y139 V140 N141 I142 T144L122-A137 HydrophobicContact CD2-CB 4.26Å; P133-A137 VanDerWaalsContact O-CB 3.31Å; P133-A137 WeakPolarHBondContact O-CB 3.49Å; P133-A137 PolarHBondContact O-N 2.65Å; A137-Y139 VanDerWaalsContact C-N 3.29Å; A137-Y139 PolarHBondContact O-N 3.22Å; A137-V140 PolarHBondContact O-N 2.73Å; A137-N141 PolarHBondContact O-N 3.03Å; A137-I142 HydrophobicContact CB-CB 4.14Å; A137-I142 PolarHBondContact O-N 3.2Å; A137-I142 VanDerWaalsContact O-N 3.09Å; A137-T144 HydrophobicContact CB-CG2 3.6Å
138S94.8Very high95.4Very high44 Ų4443.9 Ų43.931%0.30822%0.222SC..Hα-helixtrans-67.7-25.7177.579.70000113.7L134 T135 E136L134-S138 PolarHBondContact O-N 2.84Å; T135-S138 WeakPolarHBondContact O-CB 3.35Å; T135-S138 PolarHBondContact O-N 3.06Å; T135-S138 PolarHBondContact O-OG 3.41Å; E136-S138 PolarHBondContact O-N 3.15Å
139Y95.3Very high95.5Very high166 Ų16636.9 Ų36.965%0.65120%0.196SC*.Hα-helixtrans-77.9-26.1177-60.8-49000113.2T109 E136 A137T109-Y139 HydrophobicContact CG2-CD2 4.01Å; T109-Y139 HydrophobicContact CG2-CG 4.46Å; E136-Y139 PolarHBondContact O-N 2.65Å; A137-Y139 VanDerWaalsContact C-N 3.29Å; A137-Y139 PolarHBondContact O-N 3.22Å
140V94.1Very high95.6Very high57 Ų5735.1 Ų35.135%0.34518%0.181SC..Hα-helixtrans-113.56.8-172.4-1660000111.9F108 T109 A137 I142F108-V140 HydrophobicContact CB-CG2 4.42Å; T109-V140 HydrophobicContact CG2-CG2 4.03Å; A137-V140 PolarHBondContact O-N 2.73Å; V140-I142 VanDerWaalsContact C-N 3.35Å; V140-I142 HydrophobicContact CB-CD1 4.03Å; V140-I142 HydrophobicContact CB-CG1 4.09Å; V140-I142 HydrophobicContact CG1-CD1 4.22Å; V140-I142 HydrophobicContact CG1-CG1 4.27Å; V140-I142 PolarHBondContact O-N 2.89Å
141N94.7Very high95.6Very high147 Ų14736.4 Ų36.479%0.78619%0.188SC*.THydrogen-bonded Turntrans57.241.1179.5-56.1-52.9000114A137A137-N141 PolarHBondContact O-N 3.03Å
142I95.3Very high95.6Very high15 Ų1531.3 Ų31.38%0.07717%0.165CC..  trans-88.6124.6179.6-57169.7000108.7F108 P119 L122 A137 V140 T144F108-I142 HydrophobicContact CG-CD1 4.43Å; P119-I142 HydrophobicContact CG-CD1 4.06Å; P119-I142 WeakPolarHBondContact O-CD1 3.3Å; P119-I142 WeakPolarHBondContact O-CG1 3.38Å; P119-I142 WeakPolarHBondContact O-CG2 3.42Å; L122-I142 HydrophobicContact CB-CG2 4.05Å; A137-I142 HydrophobicContact CB-CB 4.14Å; A137-I142 PolarHBondContact O-N 3.2Å; A137-I142 VanDerWaalsContact O-N 3.09Å; V140-I142 VanDerWaalsContact C-N 3.35Å; V140-I142 HydrophobicContact CB-CD1 4.03Å; V140-I142 HydrophobicContact CB-CG1 4.09Å; V140-I142 HydrophobicContact CG1-CD1 4.22Å; V140-I142 HydrophobicContact CG1-CG1 4.27Å; V140-I142 PolarHBondContact O-N 2.89Å; I142-T144 WeakPolarHBondContact O-CG2 3.38Å
143P96.7Very high95.6Very high62 Ų6230.8 Ų30.840%0.40317%0.167SC..  trans-67.4138.1174.927.8-34.8000111.2R120 L122 D158R120-P143 WeakPolarHBondContact O-CD 3.14Å; R120-P143 WeakPolarHBondContact O-CG 3.33Å; L122-P143 PolarHBondContact N-O 2.97Å; P143-D158 WeakPolarHBondContact CA-OD2 3.41Å
144T96.8Very high95.5Very high3 Ų331.7 Ų31.72%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-122136.7-172.474.40000113L122 L134 A137 I142 Y156 V157 D158 I159L122-T144 HydrophobicContact CB-CG2 4.01Å; L122-T144 HydrophobicContact CD2-CG2 3.69Å; L122-T144 CarbonylContact O-C 3.55Å; L122-T144 WeakPolarHBondContact O-CA 3.28Å; L134-T144 HydrophobicContact CD2-CG2 4.06Å; A137-T144 HydrophobicContact CB-CG2 3.6Å; I142-T144 WeakPolarHBondContact O-CG2 3.38Å; T144-Y156 PolarHBondContact OG1-O 3.23Å; T144-V157 WeakPolarHBondContact OG1-CA 3.46Å; T144-D158 PolarHBondContact N-OD2 3.31Å; T144-D158 WeakPolarHBondContact O-CB 3.44Å; T144-D158 PolarHBondContact O-N 3.07Å; T144-D158 VanDerWaalsContact O-N 3.07Å; T144-I159 PolarHBondContact O-N 3.38Å; T144-I159 VanDerWaalsContact O-N 3.15Å
145I97.7Very high95.4Very high2 Ų239.7 Ų39.71%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-114.3131.6173-52-171.6000107.5A61 A64 I65 L121 L122 I123 V124 I159 I161A61-I145 HydrophobicContact CB-CD1 3.82Å; A61-I145 HydrophobicContact CB-CG2 3.85Å; A64-I145 HydrophobicContact CB-CD1 4.22Å; I65-I145 HydrophobicContact CG1-CD1 4.41Å; L121-I145 HydrophobicContact CD1-CD1 4.1Å; L121-I145 HydrophobicContact CD2-CD1 4.05Å; L121-I145 HydrophobicContact CD2-CG1 4.29Å; L121-I145 HydrophobicContact CG-CD1 4.46Å; L122-I145 PolarHBondContact O-N 3.43Å; I123-I145 CarbonylContact C-O 3.58Å; I123-I145 VanDerWaalsContact CA-O 3.3Å; I123-I145 WeakPolarHBondContact CA-O 3.12Å; I123-I145 HydrophobicContact CG1-CB 4.45Å; I123-I145 HydrophobicContact CG2-CB 4.16Å; I123-I145 HydrophobicContact CG2-CG2 4.28Å; V124-I145 PolarHBondContact N-O 3.43Å; I145-I159 WeakPolarHBondContact CA-O 3.2Å; I145-I159 HydrophobicContact CB-CB 4.43Å; I145-I159 HydrophobicContact CD1-CD1 3.96Å; I145-I159 HydrophobicContact CG1-CB 4.1Å; I145-I159 HydrophobicContact CG1-CD1 4Å; I145-I159 HydrophobicContact CG2-CB 4.18Å; I145-I159 HydrophobicContact CG2-CG2 4.19Å; I145-I161 HydrophobicContact CG2-CD1 3.96Å; I145-I161 HydrophobicContact CG2-CG1 4.29Å
146A97Very high95.4Very high0 Ų042.5 Ų42.50%021%0.208CC..EExtended strand (participates in β ladder)trans-131.3142.1178.700000112.6V124 C148 V157 I159 I161V124-A146 HydrophobicContact CB-CB 4.35Å; V124-A146 WeakPolarHBondContact O-CA 3.39Å; A146-C148 PolarHBondContact O-N 3.15Å; A146-V157 HydrophobicContact CB-CB 4.49Å; A146-V157 HydrophobicContact CB-CG1 3.73Å; A146-V157 HydrophobicContact CB-CG2 3.87Å; A146-I159 PolarHBondContact N-O 2.88Å; A146-I161 PolarHBondContact O-N 3.26Å
147L96.6Very high95.4Very high3 Ų343.1 Ų43.12%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-78108.5164.6-65.3-174.2000108.5V124 T125 P127 I161 M174 W175V124-L147 PolarHBondContact O-N 3.23Å; T125-L147 VanDerWaalsContact O-CB 3.32Å; T125-L147 WeakPolarHBondContact O-CB 3.16Å; T125-L147 VanDerWaalsContact O-O 3.09Å; P127-L147 WeakPolarHBondContact CD-O 3.44Å; L147-I161 HydrophobicContact CD2-CB 3.84Å; L147-I161 HydrophobicContact CD2-CD1 3.95Å; L147-I161 HydrophobicContact CD2-CG1 4.48Å; L147-I161 HydrophobicContact CD2-CG2 3.88Å; L147-M174 HydrophobicContact CD1-CB 4.09Å; L147-M174 HydrophobicContact CD2-CB 4.23Å; L147-M174 HydrophobicContact CD2-CE 4.37Å; L147-W175 HydrophobicContact CD1-CZ2 4.37Å
148C96Very high95.4Very high0 Ų048.2 Ų48.20%024%0.239CC..EExtended strand (participates in β ladder)trans-113.6133.4-172-63.80000111.5M34 A146 L154 A160 I161 P162 C163M34-C148 HydrophobicContact CE-CB 4.01Å; M34-C148 HydrophobicContact SD-CB 4.14Å; A146-C148 PolarHBondContact O-N 3.15Å; C148-L154 HydrophobicContact CB-CD2 4.07Å; C148-L154 VanDerWaalsContact SG-CD2 3.51Å; C148-A160 HydrophobicContact CB-CB 4.4Å; C148-I161 PolarHBondContact N-O 3.22Å; C148-P162 CarbonylContact O-C 3.53Å; C148-P162 VanDerWaalsContact O-CA 3.31Å; C148-P162 WeakPolarHBondContact O-CA 3.31Å; C148-C163 PolarHBondContact O-N 2.84Å; C148-C163 VanDerWaalsContact O-O 3.13Å
149N95.6Very high95.5Very high0 Ų047.4 Ų47.40%023%0.231CC..  trans-90.8175.9168.4-155.8-16.6000110.4G26 G27 M34 D151 S152 C163 N165G26-N149 WeakPolarHBondContact CA-OD1 3.4Å; G27-N149 PolarHBondContact N-OD1 3.2Å; M34-N149 WeakPolarHBondContact CE-O 3.3Å; N149-D151 PolarHBondContact O-N 3.45Å; N149-S152 PolarHBondContact N-OG 2.77Å; N149-S152 WeakPolarHBondContact O-CB 3.4Å; N149-S152 PolarHBondContact O-N 3.23Å; N149-S152 VanDerWaalsContact O-N 3.12Å; N149-C163 WeakPolarHBondContact CA-O 3.44Å; N149-N165 VanDerWaalsContact CB-OD1 3.31Å; N149-N165 WeakPolarHBondContact CB-OD1 3.41Å; N149-N165 PolarHBondContact ND2-OD1 3.43Å
150T95.3Very high95.6Very high1 Ų139.8 Ų39.81%0.00620%0.202CC..THydrogen-bonded Turntrans-62.4-27.8-178.9610000113G27 N29 L30 D31 V38 I49G27-T150 WeakPolarHBondContact CA-OG1 3.27Å; G27-T150 PolarHBondContact N-OG1 3.19Å; N29-T150 CarbonylContact O-C 3.46Å; N29-T150 WeakPolarHBondContact O-CB 3.46Å; N29-T150 PolarHBondContact O-OG1 3.46Å; L30-T150 CarbonylContact C-O 3.57Å; L30-T150 WeakPolarHBondContact CA-O 3.2Å; L30-T150 HydrophobicContact CD1-CG2 4.46Å; D31-T150 PolarHBondContact N-O 3.04Å; V38-T150 HydrophobicContact CG2-CG2 3.93Å; I49-T150 HydrophobicContact CD1-CG2 4.17Å; I49-T150 HydrophobicContact CG1-CG2 3.89Å
151D94Very high95.8Very high30 Ų3037 Ų3716%0.1619%0.186CC..THydrogen-bonded Turntrans-96.85.5178.163.1-44.8000114N29 R128 N149 K166N29-D151 HydrophobicContact CB-CB 4.14Å; R128-D151 IonicContact NH1-OD2 3.01Å; R128-D151 PolarHBondContact NH1-OD2 2.88Å; N149-D151 PolarHBondContact O-N 3.45Å; D151-K166 IonicContact OD1-NZ 3.55Å; D151-K166 IonicContact OD2-NZ 3.08Å; D151-K166 PolarHBondContact OD2-NZ 3.2Å; D151-K166 VanDerWaalsContact OD2-NZ 3.08Å
152S93.4Very high95.9Very high1 Ų130 Ų301%0.00715%0.148CC..  trans-80.7131.1-179-69.30000111.3N149N149-S152 PolarHBondContact N-OG 2.77Å; N149-S152 WeakPolarHBondContact O-CB 3.4Å; N149-S152 PolarHBondContact O-N 3.23Å; N149-S152 VanDerWaalsContact O-N 3.12Å
153P94.5Very high95.9Very high57 Ų5729.4 Ų29.437%0.3715%0.145SC..  trans-70.5138.3173.130.2-33.3000110.2R128 R155R128-P153 VanDerWaalsContact CG-CD 3.47Å; R128-P153 HydrophobicContact CG-CG 4.23Å; P153-R155 VanDerWaalsContact C-N 3.35Å
154L94.8Very high95.8Very high21 Ų2127.5 Ų27.511%0.1113%0.132CC..  trans-9721.3178.5-69.8-175.3000113.6Q33 M34 C148 Y156 V157 A160Q33-L154 HydrophobicContact CB-CB 4.46Å; Q33-L154 HydrophobicContact CB-CD1 3.65Å; Q33-L154 HydrophobicContact CB-CG 4.43Å; M34-L154 HydrophobicContact CG-CD1 4.04Å; M34-L154 HydrophobicContact CG-CG 4.19Å; M34-L154 HydrophobicContact SD-CD1 3.53Å; M34-L154 VanDerWaalsContact SD-CD1 3.53Å; M34-L154 HydrophobicContact SD-CD2 3.86Å; M34-L154 HydrophobicContact SD-CG 3.87Å; C148-L154 HydrophobicContact CB-CD2 4.07Å; C148-L154 VanDerWaalsContact SG-CD2 3.51Å; L154-Y156 PolarHBondContact O-N 3.07Å; L154-V157 HydrophobicContact CD2-CB 4.45Å; L154-V157 HydrophobicContact CD2-CG1 4.4Å; L154-V157 PolarHBondContact O-N 3.27Å; L154-A160 HydrophobicContact CD1-CB 4.36Å; L154-A160 HydrophobicContact CD2-CB 3.53Å
155R94.4Very high95.6Very high174 Ų17427.4 Ų27.466%0.65713%0.131SC*.THydrogen-bonded Turntrans-70.4128176.6-169.2-176.8178.1172-0.6109.9P153 V157P153-R155 VanDerWaalsContact C-N 3.35Å; R155-V157 PolarHBondContact O-N 3.01Å
156Y94.9Very high95.2Very high101 Ų10132.2 Ų32.240%0.39615%0.152SC..THydrogen-bonded Turntrans62.321.4-178.6-46-56.8000114.8T135 T144 L154T135-Y156 HydrophobicContact CG2-CE2 4.45Å; T144-Y156 PolarHBondContact OG1-O 3.23Å; L154-Y156 PolarHBondContact O-N 3.07Å
157V96.3Very high94.9Very high20 Ų2033.4 Ų33.412%0.12116%0.164CC..  trans-108.2119.6174.7177.70000109.2P127 L134 T144 A146 L154 R155 A160P127-V157 HydrophobicContact CB-CG2 4.38Å; L134-V157 HydrophobicContact CD1-CG2 4.3Å; L134-V157 HydrophobicContact CD2-CG2 4.41Å; T144-V157 WeakPolarHBondContact OG1-CA 3.46Å; A146-V157 HydrophobicContact CB-CB 4.49Å; A146-V157 HydrophobicContact CB-CG1 3.73Å; A146-V157 HydrophobicContact CB-CG2 3.87Å; L154-V157 HydrophobicContact CD2-CB 4.45Å; L154-V157 HydrophobicContact CD2-CG1 4.4Å; L154-V157 PolarHBondContact O-N 3.27Å; R155-V157 PolarHBondContact O-N 3.01Å; V157-A160 HydrophobicContact CG1-CB 4.36Å
158D96.1Very high94.6Very high109 Ų10936.5 Ų36.558%0.58318%0.178SC*.SBendtrans-84-43.7179.2-57.5-53.7000111.5P143 T144P143-D158 WeakPolarHBondContact CA-OD2 3.41Å; T144-D158 PolarHBondContact N-OD2 3.31Å; T144-D158 WeakPolarHBondContact O-CB 3.44Å; T144-D158 PolarHBondContact O-N 3.07Å; T144-D158 VanDerWaalsContact O-N 3.07Å
159I96.9Very high94.5Very high26 Ų2641.7 Ų41.713%0.13320%0.203CC..EExtended strand (participates in β ladder)trans-120.6105.1178.8-58.5162.2000109.6L60 A61 A64 T144 I145 A146L60-I159 HydrophobicContact CD2-CB 4.3Å; L60-I159 HydrophobicContact CD2-CD1 3.35Å; L60-I159 HydrophobicContact CD2-CG1 3.54Å; L60-I159 HydrophobicContact CD2-CG2 3.73Å; A61-I159 HydrophobicContact CB-CG2 4.29Å; A64-I159 HydrophobicContact CB-CD1 4.11Å; T144-I159 PolarHBondContact O-N 3.38Å; T144-I159 VanDerWaalsContact O-N 3.15Å; I145-I159 WeakPolarHBondContact CA-O 3.2Å; I145-I159 HydrophobicContact CB-CB 4.43Å; I145-I159 HydrophobicContact CD1-CD1 3.96Å; I145-I159 HydrophobicContact CG1-CB 4.1Å; I145-I159 HydrophobicContact CG1-CD1 4Å; I145-I159 HydrophobicContact CG2-CB 4.18Å; I145-I159 HydrophobicContact CG2-CG2 4.19Å; A146-I159 PolarHBondContact N-O 2.88Å
160A96.7Very high94.5Very high6 Ų641.7 Ų41.75%0.0520%0.203CC..EExtended strand (participates in β ladder)trans-85.5122.617000000110.7Y37 K57 C148 L154 V157 P162Y37-A160 HydrophobicContact CE2-CB 4.25Å; K57-A160 WeakPolarHBondContact CG-O 3.43Å; C148-A160 HydrophobicContact CB-CB 4.4Å; L154-A160 HydrophobicContact CD1-CB 4.36Å; L154-A160 HydrophobicContact CD2-CB 3.53Å; V157-A160 HydrophobicContact CG1-CB 4.36Å; A160-P162 WeakPolarHBondContact O-CD 3.32Å
161I97.3Very high94.5Very high0 Ų041.8 Ų41.80%020%0.203CC..EExtended strand (participates in β ladder)trans-97.9107.2167-58.9173.9000107.1K57 A61 I145 A146 L147 C148 C163 M174 L178K57-I161 HydrophobicContact CB-CG1 4.47Å; A61-I161 HydrophobicContact CB-CD1 3.7Å; A61-I161 HydrophobicContact CB-CG1 4.28Å; I145-I161 HydrophobicContact CG2-CD1 3.96Å; I145-I161 HydrophobicContact CG2-CG1 4.29Å; A146-I161 PolarHBondContact O-N 3.26Å; L147-I161 HydrophobicContact CD2-CB 3.84Å; L147-I161 HydrophobicContact CD2-CD1 3.95Å; L147-I161 HydrophobicContact CD2-CG1 4.48Å; L147-I161 HydrophobicContact CD2-CG2 3.88Å; C148-I161 PolarHBondContact N-O 3.22Å; I161-C163 PolarHBondContact O-N 3.36Å; I161-M174 HydrophobicContact CG2-CE 3.41Å; I161-M174 VanDerWaalsContact CG2-CE 3.41Å; I161-L178 HydrophobicContact CD1-CD1 3.83Å
162P96.8Very high94.5Very high0 Ų040.4 Ų40.40%020%0.195CC..EExtended strand (participates in β ladder)trans-68.6122.2179.125-30000109.9M34 Y37 I49 T54 C148 A160M34-P162 HydrophobicContact CE-CB 4.01Å; Y37-P162 HydrophobicContact CD1-CB 4.34Å; Y37-P162 HydrophobicContact CD1-CG 3.68Å; Y37-P162 HydrophobicContact CD2-CB 4.38Å; Y37-P162 HydrophobicContact CD2-CG 4.47Å; Y37-P162 HydrophobicContact CE1-CG 4.35Å; Y37-P162 HydrophobicContact CG-CB 3.88Å; Y37-P162 HydrophobicContact CG-CG 3.75Å; I49-P162 HydrophobicContact CG2-CB 3.8Å; I49-P162 HydrophobicContact CG2-CG 4.47Å; T54-P162 VanDerWaalsContact CB-O 3.3Å; T54-P162 WeakPolarHBondContact CB-O 3.45Å; T54-P162 HydrophobicContact CG2-CB 4.32Å; T54-P162 HydrophobicContact CG2-CG 3.97Å; T54-P162 WeakPolarHBondContact CG2-O 3.05Å; C148-P162 CarbonylContact O-C 3.53Å; C148-P162 VanDerWaalsContact O-CA 3.31Å; C148-P162 WeakPolarHBondContact O-CA 3.31Å; A160-P162 WeakPolarHBondContact O-CD 3.32Å
163C96.1Very high94.6Very high1 Ų140.6 Ų40.61%0.00720%0.197CC..  trans-160.6161.1177.665.10000111.5C148 N149 I161 N165 M174C148-C163 PolarHBondContact O-N 2.84Å; C148-C163 VanDerWaalsContact O-O 3.13Å; N149-C163 WeakPolarHBondContact CA-O 3.44Å; I161-C163 PolarHBondContact O-N 3.36Å; C163-N165 PolarHBondContact O-N 3.48Å; C163-M174 HydrophobicContact CB-CE 3.98Å; C163-M174 HydrophobicContact CB-CG 3.87Å; C163-M174 HydrophobicContact CB-SD 3.98Å
164N95.5Very high94.7Very high22 Ų2238 Ų3812%0.11818%0.179CC..  trans-71.197.8167-173.4-5.4000110G22 T23 L25 K166 G167 S170G22-N164 PolarHBondContact O-ND2 3.36Å; G22-N164 VanDerWaalsContact O-ND2 3.17Å; T23-N164 PolarHBondContact O-N 2.93Å; L25-N164 WeakPolarHBondContact O-CB 3.5Å; L25-N164 PolarHBondContact O-ND2 3.05Å; N164-K166 VanDerWaalsContact C-N 3.29Å; N164-K166 PolarHBondContact O-N 2.88Å; N164-K166 PolarHBondContact OD1-N 2.81Å; N164-G167 PolarHBondContact OD1-N 3.47Å; N164-S170 WeakPolarHBondContact O-CB 3.35Å; N164-S170 PolarHBondContact O-OG 3Å
165N91.8Very high94.8Very high1 Ų137.1 Ų37.11%0.00518%0.175CC..  trans-83.42.5178.272.7-4.1000113.3R80 D126 N149 C163 V171R80-N165 PolarHBondContact NH1-O 3.08Å; R80-N165 PolarHBondContact NH2-O 3.42Å; D126-N165 PolarHBondContact OD1-ND2 3.04Å; D126-N165 VanDerWaalsContact OD1-ND2 3.15Å; D126-N165 PolarHBondContact OD2-ND2 2.9Å; N149-N165 VanDerWaalsContact CB-OD1 3.31Å; N149-N165 WeakPolarHBondContact CB-OD1 3.41Å; N149-N165 PolarHBondContact ND2-OD1 3.43Å; C163-N165 PolarHBondContact O-N 3.48Å; N165-V171 VanDerWaalsContact O-CG2 3.28Å; N165-V171 WeakPolarHBondContact O-CG2 3.29Å
166K89.8Confident94.9Very high103 Ų10329.4 Ų29.445%0.44815%0.146SC..SBendtrans-93.2-37.2-178.4-67.8177.2-175.8166.30113.1R80 D151 N164R80-K166 PolarHBondContact NH2-O 3.26Å; D151-K166 IonicContact OD1-NZ 3.55Å; D151-K166 IonicContact OD2-NZ 3.08Å; D151-K166 PolarHBondContact OD2-NZ 3.2Å; D151-K166 VanDerWaalsContact OD2-NZ 3.08Å; N164-K166 VanDerWaalsContact C-N 3.29Å; N164-K166 PolarHBondContact O-N 2.88Å; N164-K166 PolarHBondContact OD1-N 2.81Å
167G90.6Very high95Very high25 Ų2524.6 Ų24.626%0.25813%0.127SC..SBendtrans-74.9134.3179.600000113.3N164 H169 S170 V171N164-G167 PolarHBondContact OD1-N 3.47Å; G167-H169 PolarHBondContact O-N 3.08Å; G167-S170 PolarHBondContact O-N 3.38Å; G167-V171 WeakPolarHBondContact O-CG2 3.42Å; G167-V171 PolarHBondContact O-N 3.39Å
168H89.8Confident94.9Very high68 Ų6823.8 Ų23.832%0.31512%0.122SC..Hα-helixtrans-58-47.1178.6-52.7-78.8000112.3T82 G172 Y204T82-H168 WeakPolarHBondContact CG2-CE1 3.23Å; T82-H168 WeakPolarHBondContact CG2-ND1 3.36Å; H168-G172 PolarHBondContact O-N 2.85Å; H168-Y204 AromaticContact CE1-CD1 3.96Å; H168-Y204 AromaticContact ND1-CD1 3.39Å; H168-Y204 WeakPolarHBondContact ND1-CD1 3.48Å
169H93.8Very high94.9Very high110 Ų11018.6 Ų18.651%0.5099%0.094SC..Hα-helixtrans-62.2-43.7177.5-57.796000112A21 G167 L173 F203A21-H169 HydrophobicContact CB-CB 4.14Å; G167-H169 PolarHBondContact O-N 3.08Å; H169-L173 WeakPolarHBondContact O-CB 3.14Å; H169-L173 PolarHBondContact O-N 2.94Å; H169-F203 HydrophobicContact CB-CE1 4.43Å; H169-F203 HydrophobicContact CB-CZ 4.34Å; H169-F203 AromaticContact CD2-CD2 3.59Å; H169-F203 AromaticContact CD2-CE2 3.65Å; H169-F203 WeakPolarHBondContact O-CE1 3.22Å
170S95.5Very high94.9Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-63.6-48.1179.9177.10000111.8T23 N164 G167 L173 M174T23-S170 WeakPolarHBondContact CG2-OG 3.09Å; N164-S170 WeakPolarHBondContact O-CB 3.35Å; N164-S170 PolarHBondContact O-OG 3Å; G167-S170 PolarHBondContact O-N 3.38Å; S170-L173 PolarHBondContact O-N 3.43Å; S170-M174 VanDerWaalsContact O-CG 3.3Å; S170-M174 WeakPolarHBondContact O-CG 3.45Å; S170-M174 PolarHBondContact O-N 2.84Å
171V94.9Very high94.7Very high3 Ų317.4 Ų17.42%0.0189%0.086CC..Hα-helixtrans-60.8-50.6-178.6172.90000111.3N165 G167 L173 M174 W175N165-V171 VanDerWaalsContact O-CG2 3.28Å; N165-V171 WeakPolarHBondContact O-CG2 3.29Å; G167-V171 WeakPolarHBondContact O-CG2 3.42Å; G167-V171 PolarHBondContact O-N 3.39Å; V171-L173 VanDerWaalsContact C-N 3.29Å; V171-L173 PolarHBondContact O-N 2.9Å; V171-M174 PolarHBondContact O-N 3.34Å; V171-W175 PolarHBondContact O-N 3.12Å
172G94.9Very high94.6Very high0 Ų017.4 Ų17.40%09%0.086CC..Hα-helixtrans-65-34.6179.900000112.6H168 W175 W176 Y202H168-G172 PolarHBondContact O-N 2.85Å; G172-W175 PolarHBondContact O-N 3.42Å; G172-W176 WeakPolarHBondContact O-CB 3.29Å; G172-W176 PolarHBondContact O-N 3.19Å; G172-Y202 WeakPolarHBondContact O-CB 3.43Å
173L96.1Very high94.5Very high6 Ų618.2 Ų18.23%0.0319%0.091CC..Hα-helixtrans-64.1-42.8176-169149.1000111.8K17 F18 A21 T23 H169 S170 V171 W175 W176 M177 F203K17-L173 HydrophobicContact CB-CD1 4.03Å; K17-L173 WeakPolarHBondContact O-CD1 3.25Å; F18-L173 HydrophobicContact CD1-CD2 3.59Å; F18-L173 HydrophobicContact CE1-CD2 3.52Å; F18-L173 HydrophobicContact CZ-CD2 4.43Å; A21-L173 HydrophobicContact CB-CB 4.37Å; A21-L173 HydrophobicContact CB-CD1 3.51Å; T23-L173 HydrophobicContact CG2-CD2 4.43Å; H169-L173 WeakPolarHBondContact O-CB 3.14Å; H169-L173 PolarHBondContact O-N 2.94Å; S170-L173 PolarHBondContact O-N 3.43Å; V171-L173 VanDerWaalsContact C-N 3.29Å; V171-L173 PolarHBondContact O-N 2.9Å; L173-W175 VanDerWaalsContact C-N 3.33Å; L173-W175 PolarHBondContact O-N 2.87Å; L173-W176 PolarHBondContact O-N 3.29Å; L173-M177 HydrophobicContact CD2-CG 3.68Å; L173-M177 HydrophobicContact CG-CG 4.43Å; L173-M177 WeakPolarHBondContact O-CB 3.47Å; L173-M177 VanDerWaalsContact O-CG 3.23Å; L173-M177 WeakPolarHBondContact O-CG 3.47Å; L173-M177 PolarHBondContact O-N 3.4Å; L173-F203 HydrophobicContact CB-CE1 4.08Å
174M96.5Very high94.4Very high2 Ų219.6 Ų19.61%0.0110%0.096CC..Hα-helixtrans-61.1-42.9177.8-68.6-56-6300111.5F18 L58 L147 I161 C163 S170 V171 M177 L178F18-M174 HydrophobicContact CD1-SD 4.34Å; F18-M174 HydrophobicContact CE1-SD 3.65Å; L58-M174 HydrophobicContact CD1-CE 3.53Å; L147-M174 HydrophobicContact CD1-CB 4.09Å; L147-M174 HydrophobicContact CD2-CB 4.23Å; L147-M174 HydrophobicContact CD2-CE 4.37Å; I161-M174 HydrophobicContact CG2-CE 3.41Å; I161-M174 VanDerWaalsContact CG2-CE 3.41Å; C163-M174 HydrophobicContact CB-CE 3.98Å; C163-M174 HydrophobicContact CB-CG 3.87Å; C163-M174 HydrophobicContact CB-SD 3.98Å; S170-M174 VanDerWaalsContact O-CG 3.3Å; S170-M174 WeakPolarHBondContact O-CG 3.45Å; S170-M174 PolarHBondContact O-N 2.84Å; V171-M174 PolarHBondContact O-N 3.34Å; M174-M177 PolarHBondContact O-N 3.13Å; M174-L178 VanDerWaalsContact O-CB 3.27Å; M174-L178 WeakPolarHBondContact O-CB 3.22Å; M174-L178 PolarHBondContact O-N 3.43Å
175W96.6Very high94.2Very high2 Ų221 Ų211%0.00810%0.102CC..Hα-helixtrans-64.8-43.3175.3-77.5112.5000113.1V76 A86 V87 F90 I123 T125 L147 V171 G172 L173 L178 A179 Y202V76-W175 HydrophobicContact CB-CH2 4.45Å; V76-W175 HydrophobicContact CG1-CE3 4.48Å; V76-W175 HydrophobicContact CG1-CH2 3.15Å; V76-W175 HydrophobicContact CG1-CZ2 3.8Å; V76-W175 HydrophobicContact CG1-CZ3 3.54Å; V76-W175 HydrophobicContact CG2-CZ3 4.42Å; A86-W175 HydrophobicContact CB-CB 3.96Å; A86-W175 VanDerWaalsContact CB-CD1 3.44Å; A86-W175 HydrophobicContact CB-CG 3.84Å; V87-W175 HydrophobicContact CG2-CD2 4.41Å; V87-W175 HydrophobicContact CG2-CH2 4.38Å; V87-W175 HydrophobicContact CG2-CZ2 3.79Å; F90-W175 HydrophobicContact CB-CE3 3.99Å; F90-W175 HydrophobicContact CD1-CE3 4.09Å; F90-W175 AromaticContact CD1-CZ3 3.95Å; F90-W175 HydrophobicContact CD1-CZ3 3.95Å; F90-W175 AromaticContact CD2-CE3 3.59Å; F90-W175 HydrophobicContact CD2-CE3 3.59Å; F90-W175 HydrophobicContact CD2-CZ3 4.14Å; F90-W175 HydrophobicContact CE1-CZ3 4.17Å; F90-W175 HydrophobicContact CE2-CE3 4.14Å; F90-W175 HydrophobicContact CE2-CZ3 4.37Å; F90-W175 AromaticContact CG-CE3 3.58Å; F90-W175 HydrophobicContact CG-CE3 3.58Å; F90-W175 AromaticContact CG-CZ3 3.94Å; F90-W175 HydrophobicContact CG-CZ3 3.94Å; F90-W175 HydrophobicContact CZ-CZ3 4.37Å; I123-W175 HydrophobicContact CB-CH2 3.9Å; I123-W175 HydrophobicContact CB-CZ3 4.41Å; I123-W175 HydrophobicContact CD1-CZ3 4.5Å; I123-W175 HydrophobicContact CG2-CH2 3.35Å; I123-W175 HydrophobicContact CG2-CZ2 4.32Å; I123-W175 HydrophobicContact CG2-CZ3 3.89Å; T125-W175 HydrophobicContact CG2-CZ2 3.49Å; T125-W175 VanDerWaalsContact CG2-CZ2 3.49Å; T125-W175 VanDerWaalsContact CG2-NE1 3.33Å; L147-W175 HydrophobicContact CD1-CZ2 4.37Å; V171-W175 PolarHBondContact O-N 3.12Å; G172-W175 PolarHBondContact O-N 3.42Å; L173-W175 VanDerWaalsContact C-N 3.33Å; L173-W175 PolarHBondContact O-N 2.87Å; W175-L178 PolarHBondContact O-N 3.33Å; W175-A179 PolarHBondContact O-N 3.4Å; W175-Y202 HydrophobicContact CB-CD1 3.97Å
176W96.5Very high94.2Very high13 Ų1324.8 Ų24.85%0.04912%0.116CC..Hα-helixtrans-60.8-47176.3179.487.4000111.4K17 G172 L173 L178 A179 R180 W195 V197 P199 Y202K17-W176 HydrophobicContact CD-CZ3 4.2Å; G172-W176 WeakPolarHBondContact O-CB 3.29Å; G172-W176 PolarHBondContact O-N 3.19Å; L173-W176 PolarHBondContact O-N 3.29Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 3.02Å; W176-A179 PolarHBondContact O-N 3.15Å; W176-R180 WeakPolarHBondContact O-CB 3.04Å; W176-R180 PolarHBondContact O-N 3.25Å; W176-W195 AromaticContact CD1-CE3 3.93Å; W176-W195 AromaticContact CD1-CZ3 3.28Å; W176-W195 HydrophobicContact CD2-CE3 4.22Å; W176-W195 HydrophobicContact CD2-CZ3 4.03Å; W176-W195 AromaticContact CE2-CE3 3.42Å; W176-W195 VanDerWaalsContact CE2-CE3 3.42Å; W176-W195 AromaticContact CE2-CZ3 3.58Å; W176-W195 HydrophobicContact CG-CE3 4.5Å; W176-W195 AromaticContact CG-CZ3 3.86Å; W176-W195 HydrophobicContact CG-CZ3 3.86Å; W176-W195 AromaticContact CZ2-CE3 3.67Å; W176-W195 HydrophobicContact CZ2-CE3 3.67Å; W176-W195 HydrophobicContact CZ2-CZ3 4.3Å; W176-W195 AromaticContact NE1-CE3 3.23Å; W176-W195 AromaticContact NE1-CZ3 3.1Å; W176-V197 WeakPolarHBondContact CZ2-O 3.03Å; W176-V197 PolarHBondContact NE1-O 3.2Å; W176-P199 HydrophobicContact CD2-CB 4.02Å; W176-P199 HydrophobicContact CD2-CG 3.84Å; W176-P199 HydrophobicContact CE3-CB 4.33Å; W176-P199 HydrophobicContact CE3-CG 3.98Å; W176-P199 HydrophobicContact CG-CB 4.14Å; W176-P199 HydrophobicContact CG-CG 4.43Å; W176-P199 HydrophobicContact CH2-CG 4.05Å; W176-P199 HydrophobicContact CZ2-CG 3.91Å; W176-P199 HydrophobicContact CZ3-CG 4.07Å; W176-Y202 HydrophobicContact CB-CD1 4.29Å; W176-Y202 HydrophobicContact CB-CD2 3.95Å; W176-Y202 HydrophobicContact CB-CE2 4.37Å; W176-Y202 HydrophobicContact CB-CG 3.92Å; W176-Y202 AromaticContact CD1-CD2 3.51Å; W176-Y202 AromaticContact CD1-CE2 3.52Å; W176-Y202 HydrophobicContact CG-CD2 4.14Å; W176-Y202 HydrophobicContact CG-CE2 4.34Å
177M95.6Very high94.2Very high0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-61.3-42.4177.5-72.8-67.1-96.500111.7D14 F18 W55 L58 L173 M174 R180 E181D14-M177 HydrophobicContact CB-CE 3.61Å; D14-M177 VanDerWaalsContact CG-CE 3.5Å; F18-M177 HydrophobicContact CE1-CE 4.39Å; F18-M177 HydrophobicContact CE1-CG 4.44Å; F18-M177 HydrophobicContact CE2-CE 3.66Å; F18-M177 HydrophobicContact CZ-CE 3.53Å; F18-M177 HydrophobicContact CZ-CG 4.29Å; W55-M177 HydrophobicContact CE3-CE 4.27Å; W55-M177 HydrophobicContact CH2-CE 4.35Å; W55-M177 HydrophobicContact CZ3-CE 3.54Å; L58-M177 HydrophobicContact CD1-CB 4.17Å; L58-M177 HydrophobicContact CD2-CB 4.28Å; L173-M177 HydrophobicContact CD2-CG 3.68Å; L173-M177 HydrophobicContact CG-CG 4.43Å; L173-M177 WeakPolarHBondContact O-CB 3.47Å; L173-M177 VanDerWaalsContact O-CG 3.23Å; L173-M177 WeakPolarHBondContact O-CG 3.47Å; L173-M177 PolarHBondContact O-N 3.4Å; M174-M177 PolarHBondContact O-N 3.13Å; M177-R180 PolarHBondContact O-N 3.05Å; M177-R180 PolarHBondContact SD-NH1 3.45Å; M177-E181 WeakPolarHBondContact O-CG 3.38Å; M177-E181 PolarHBondContact O-N 3.34Å
178L96.3Very high94.2Very high2 Ų226.2 Ų26.21%0.0114%0.142CC..Hα-helixtrans-66.5-43.6179.3-165.6154.8000111.2L58 A61 I65 F90 I161 M174 W175 W176 R180 E181 V182L58-L178 HydrophobicContact CD1-CB 4.25Å; A61-L178 HydrophobicContact CB-CD1 4.49Å; I65-L178 HydrophobicContact CD1-CD2 3.5Å; I65-L178 HydrophobicContact CD1-CG 4.42Å; F90-L178 HydrophobicContact CD2-CD2 4.3Å; F90-L178 HydrophobicContact CE2-CB 4.4Å; F90-L178 HydrophobicContact CE2-CD2 3.21Å; F90-L178 HydrophobicContact CE2-CG 4.4Å; F90-L178 HydrophobicContact CZ-CD2 3.37Å; I161-L178 HydrophobicContact CD1-CD1 3.83Å; M174-L178 VanDerWaalsContact O-CB 3.27Å; M174-L178 WeakPolarHBondContact O-CB 3.22Å; M174-L178 PolarHBondContact O-N 3.43Å; W175-L178 PolarHBondContact O-N 3.33Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 3.02Å; L178-R180 PolarHBondContact O-N 3.09Å; L178-E181 PolarHBondContact O-N 3.16Å; L178-V182 HydrophobicContact CD2-CG2 4.14Å; L178-V182 VanDerWaalsContact O-CG2 3.3Å; L178-V182 WeakPolarHBondContact O-CG2 3.49Å; L178-V182 PolarHBondContact O-N 3.05Å
179A95.9Very high94.3Very high0 Ų024.6 Ų24.60%014%0.135CC..Hα-helixtrans-59.7-48.3174.600000111.5F90 A93 T94 W175 W176 E181 V182 L183 W195F90-A179 HydrophobicContact CD2-CB 3.64Å; F90-A179 HydrophobicContact CE2-CB 3.8Å; A93-A179 HydrophobicContact CB-CB 4.47Å; T94-A179 HydrophobicContact CG2-CB 4.35Å; W175-A179 PolarHBondContact O-N 3.4Å; W176-A179 PolarHBondContact O-N 3.15Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 3.1Å; A179-V182 PolarHBondContact O-N 2.94Å; A179-L183 VanDerWaalsContact O-CG 3.32Å; A179-L183 WeakPolarHBondContact O-CG 3.27Å; A179-L183 PolarHBondContact O-N 3.19Å; A179-W195 HydrophobicContact CB-CH2 4.09Å; A179-W195 HydrophobicContact CB-CZ3 4.49Å
180R95.3Very high94.1Very high7 Ų722 Ų223%0.02613%0.129CC..Hα-helixtrans-57.5-45.4179.5-170.6-170.472.51738.4111.8D14 W176 M177 L178 L183 R184 W195D14-R180 IonicContact OD1-CZ 3.48Å; D14-R180 IonicContact OD1-NH1 3.77Å; D14-R180 PolarHBondContact OD1-NH1 2.99Å; D14-R180 IonicContact OD1-NH2 2.78Å; D14-R180 PolarHBondContact OD1-NH2 3.04Å; D14-R180 IonicContact OD2-CZ 3.52Å; D14-R180 IonicContact OD2-NH1 3.58Å; D14-R180 IonicContact OD2-NH2 3.47Å; D14-R180 PolarHBondContact OD2-NH2 3.48Å; W176-R180 WeakPolarHBondContact O-CB 3.04Å; W176-R180 PolarHBondContact O-N 3.25Å; M177-R180 PolarHBondContact O-N 3.05Å; M177-R180 PolarHBondContact SD-NH1 3.45Å; L178-R180 PolarHBondContact O-N 3.09Å; R180-L183 PolarHBondContact O-N 3.37Å; R180-R184 VanDerWaalsContact CZ-NH1 3.28Å; R180-R184 VanDerWaalsContact NE-NH1 3.2Å; R180-R184 VanDerWaalsContact NH2-NH1 3.16Å; R180-R184 WeakPolarHBondContact O-CB 3.45Å; R180-R184 VanDerWaalsContact O-CG 3.24Å; R180-R184 WeakPolarHBondContact O-CG 3.31Å; R180-R184 PolarHBondContact O-N 3.05Å; R180-W195 HydrophobicContact CB-CE3 3.68Å; R180-W195 HydrophobicContact CB-CZ3 3.85Å; R180-W195 HydrophobicContact CG-CB 4.35Å; R180-W195 HydrophobicContact CG-CD2 4.33Å; R180-W195 HydrophobicContact CG-CE3 3.78Å; R180-W195 HydrophobicContact CG-CZ3 4.46Å
181E94.2Very high93.7Very high0 Ų024.5 Ų24.50%014%0.138CC..Hα-helixtrans-70.2-36.9179-69.4-53.4134.100112.7W55 L58 L59 A62 M177 L178 A179 R184 M185 R191W55-E181 HydrophobicContact CH2-CG 4.05Å; W55-E181 HydrophobicContact CZ3-CG 4.48Å; L58-E181 HydrophobicContact CD2-CG 4.06Å; L59-E181 HydrophobicContact CD2-CB 4.49Å; L59-E181 HydrophobicContact CD2-CG 4.09Å; A62-E181 HydrophobicContact CB-CB 4.03Å; M177-E181 WeakPolarHBondContact O-CG 3.38Å; M177-E181 PolarHBondContact O-N 3.34Å; L178-E181 PolarHBondContact O-N 3.16Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 3.1Å; E181-R184 PolarHBondContact O-N 2.62Å; E181-R184 IonicContact OE1-CZ 2.76Å; E181-R184 IonicContact OE1-NH1 2.76Å; E181-R184 PolarHBondContact OE1-NH1 3.24Å; E181-M185 WeakPolarHBondContact O-CG 3.49Å; E181-M185 PolarHBondContact O-N 3.23Å; E181-R191 IonicContact OE2-CZ 3.41Å; E181-R191 IonicContact OE2-NH1 3.22Å; E181-R191 PolarHBondContact OE2-NH1 2.52Å; E181-R191 IonicContact OE2-NH2 2.76Å; E181-R191 PolarHBondContact OE2-NH2 3.21Å
182V94.9Very high93.3Very high0 Ų032.7 Ų32.70%018%0.176CC..Hα-helixtrans-61.2-45.7173.5169.80000110.8A62 I65 V66 T94 L178 A179 M185 R186A62-V182 HydrophobicContact CB-CG2 4.01Å; I65-V182 HydrophobicContact CB-CG2 4.07Å; I65-V182 HydrophobicContact CD1-CG2 4.04Å; I65-V182 HydrophobicContact CG2-CG1 4.02Å; I65-V182 HydrophobicContact CG2-CG2 3.9Å; V66-V182 HydrophobicContact CG2-CG1 4.19Å; T94-V182 HydrophobicContact CG2-CB 4.46Å; T94-V182 HydrophobicContact CG2-CG1 4.16Å; L178-V182 HydrophobicContact CD2-CG2 4.14Å; L178-V182 VanDerWaalsContact O-CG2 3.3Å; L178-V182 WeakPolarHBondContact O-CG2 3.49Å; L178-V182 PolarHBondContact O-N 3.05Å; A179-V182 PolarHBondContact O-N 2.94Å; V182-M185 PolarHBondContact O-N 3.42Å; V182-R186 WeakPolarHBondContact O-CG 3.21Å; V182-R186 PolarHBondContact O-N 3.11Å
183L94.3Very high92.9Very high18 Ų1838.5 Ų38.59%0.09420%0.203CC..Hα-helixtrans-65.3-40.6178.3-68.7171.7000112.3A93 A179 R180 M185 R186 G187 T188 I189 W195A93-L183 HydrophobicContact CB-CD1 4.42Å; A179-L183 VanDerWaalsContact O-CG 3.32Å; A179-L183 WeakPolarHBondContact O-CG 3.27Å; A179-L183 PolarHBondContact O-N 3.19Å; R180-L183 PolarHBondContact O-N 3.37Å; L183-M185 VanDerWaalsContact C-N 3.31Å; L183-M185 PolarHBondContact O-N 2.88Å; L183-R186 PolarHBondContact O-N 3.45Å; L183-G187 PolarHBondContact O-N 3.34Å; L183-G187 VanDerWaalsContact O-N 3.08Å; L183-T188 WeakPolarHBondContact CA-OG1 3.21Å; L183-T188 WeakPolarHBondContact CB-OG1 3.08Å; L183-T188 WeakPolarHBondContact CD2-OG1 3.47Å; L183-T188 PolarHBondContact O-N 2.79Å; L183-T188 PolarHBondContact O-OG1 2.79Å; L183-I189 HydrophobicContact CB-CD1 3.71Å; L183-I189 HydrophobicContact CB-CG1 4.14Å; L183-I189 HydrophobicContact CD1-CD1 3.68Å; L183-I189 HydrophobicContact CG-CD1 4.3Å; L183-W195 HydrophobicContact CD1-CZ2 3.98Å
184R93Very high92.5Very high30 Ų3043.6 Ų43.611%0.11324%0.237CC..Hα-helixtrans-60.8-39.1173.1-76.3168.4171.3-179.5-0.6112.6R180 E181 G187 R191R180-R184 VanDerWaalsContact CZ-NH1 3.28Å; R180-R184 VanDerWaalsContact NE-NH1 3.2Å; R180-R184 VanDerWaalsContact NH2-NH1 3.16Å; R180-R184 WeakPolarHBondContact O-CB 3.45Å; R180-R184 VanDerWaalsContact O-CG 3.24Å; R180-R184 WeakPolarHBondContact O-CG 3.31Å; R180-R184 PolarHBondContact O-N 3.05Å; E181-R184 PolarHBondContact O-N 2.62Å; E181-R184 IonicContact OE1-CZ 2.76Å; E181-R184 IonicContact OE1-NH1 2.76Å; E181-R184 PolarHBondContact OE1-NH1 3.24Å; R184-G187 PolarHBondContact O-N 3.31Å; R184-R191 HydrophobicContact CB-CG 4.45Å; R184-R191 HydrophobicContact CG-CG 4.21Å
185M92.2Very high92.3Very high52 Ų5245.5 Ų45.526%0.25624%0.244SC..Hα-helixtrans-73.8-32.1177.7-72.5-174.4-164.800112.6L59 A62 R63 V66 E181 V182 L183 G187L59-M185 HydrophobicContact CD2-CE 3.82Å; A62-M185 HydrophobicContact CB-CE 3.87Å; A62-M185 HydrophobicContact CB-SD 4.06Å; R63-M185 HydrophobicContact CB-SD 4.46Å; R63-M185 HydrophobicContact CG-CE 3.86Å; R63-M185 HydrophobicContact CG-SD 3.68Å; V66-M185 HydrophobicContact CB-CB 4.5Å; V66-M185 HydrophobicContact CG1-CB 4.34Å; V66-M185 HydrophobicContact CG2-CB 3.61Å; V66-M185 HydrophobicContact CG2-SD 4.24Å; E181-M185 WeakPolarHBondContact O-CG 3.49Å; E181-M185 PolarHBondContact O-N 3.23Å; V182-M185 PolarHBondContact O-N 3.42Å; L183-M185 VanDerWaalsContact C-N 3.31Å; L183-M185 PolarHBondContact O-N 2.88Å; M185-G187 PolarHBondContact O-N 3.41Å
186R91.3Very high92Very high79 Ų7954.5 Ų54.530%0.29829%0.286SS..Hα-helixtrans-74-10.7172.6-71.2-178.6178.5174.42.5113.5V66 T94 V182 L183 T188V66-R186 HydrophobicContact CG1-CG 4.47Å; V66-R186 HydrophobicContact CG2-CG 4.29Å; T94-R186 PolarHBondContact O-NH1 3.02Å; V182-R186 WeakPolarHBondContact O-CG 3.21Å; V182-R186 PolarHBondContact O-N 3.11Å; L183-R186 PolarHBondContact O-N 3.45Å; R186-T188 VanDerWaalsContact C-N 3.31Å; R186-T188 PolarHBondContact O-N 3.31Å
187G90.4Very high91.7Very high62 Ų6256 Ų5664%0.63930%0.296SS*.THydrogen-bonded Turntrans78.88.9179.100000114.7L183 R184 M185 I189L183-G187 PolarHBondContact O-N 3.34Å; L183-G187 VanDerWaalsContact O-N 3.08Å; R184-G187 PolarHBondContact O-N 3.31Å; M185-G187 PolarHBondContact O-N 3.41Å; G187-I189 VanDerWaalsContact C-N 3.31Å
188T90.4Very high91.6Very high97 Ų9762.7 Ų62.760%0.59533%0.329SS*.SBendtrans-71.6-29.2175.647.30000112.2L183 R186L183-T188 WeakPolarHBondContact CA-OG1 3.21Å; L183-T188 WeakPolarHBondContact CB-OG1 3.08Å; L183-T188 WeakPolarHBondContact CD2-OG1 3.47Å; L183-T188 PolarHBondContact O-N 2.79Å; L183-T188 PolarHBondContact O-OG1 2.79Å; R186-T188 VanDerWaalsContact C-N 3.31Å; R186-T188 PolarHBondContact O-N 3.31Å
189I91.1Very high91.4Very high33 Ų3363.7 Ų63.717%0.16934%0.336CS..SBendtrans-126.8132.3-179.6-56.1173.9000109.1L183 G187 W195L183-I189 HydrophobicContact CB-CD1 3.71Å; L183-I189 HydrophobicContact CB-CG1 4.14Å; L183-I189 HydrophobicContact CD1-CD1 3.68Å; L183-I189 HydrophobicContact CG-CD1 4.3Å; G187-I189 VanDerWaalsContact C-N 3.31Å; I189-W195 VanDerWaalsContact CD1-CD1 3.4Å; I189-W195 HydrophobicContact CD1-CD2 4.34Å; I189-W195 HydrophobicContact CD1-CG 3.99Å
190S90.7Very high91.2Very high55 Ų5567.6 Ų67.639%0.38536%0.357SS..  trans-72.9154.7173.173.70000111.9E192 H193S190-E192 VanDerWaalsContact C-N 3.34Å; S190-H193 WeakPolarHBondContact OG-CB 3.38Å; S190-H193 PolarHBondContact OG-N 2.7Å; S190-H193 PolarHBondContact OG-ND1 3.5Å
191R86.3Confident91Very high54 Ų5470.4 Ų70.420%0.20437%0.372CS..SBendtrans-79.4-17.8176.9-73.9-174.8176-89.2-19113.9E181 R184E181-R191 IonicContact OE2-CZ 3.41Å; E181-R191 IonicContact OE2-NH1 3.22Å; E181-R191 PolarHBondContact OE2-NH1 2.52Å; E181-R191 IonicContact OE2-NH2 2.76Å; E181-R191 PolarHBondContact OE2-NH2 3.21Å; R184-R191 HydrophobicContact CB-CG 4.45Å; R184-R191 HydrophobicContact CG-CG 4.21Å
192E86.1Confident90.9Very high174 Ų17470.6 Ų70.681%0.81337%0.373SS*.SBendtrans-79.2-43.6-178.5-66.5-178.7168.100111.2S190S190-E192 VanDerWaalsContact C-N 3.34Å
193H87.3Confident90.8Very high123 Ų12371.7 Ų71.757%0.56938%0.377SS*.SBendtrans-81.5135.5-179.9-61.679.6000110.1S190S190-H193 WeakPolarHBondContact OG-CB 3.38Å; S190-H193 PolarHBondContact OG-N 2.7Å; S190-H193 PolarHBondContact OG-ND1 3.5Å
194P88.1Confident90.4Very high112 Ų11272.8 Ų72.873%0.72738%0.381SS*.PPolyproline II helixtrans-62.9147.3172.928.1-33.7000109.6E196P194-E196 PolarHBondContact O-N 3.01Å
195W91.6Very high90Very high42 Ų4276 Ų7616%0.15939%0.393CS..PPolyproline II helixtrans-77.3125.7174.8-173.528.8000109.4W176 A179 R180 L183 I189 V197 Y202W176-W195 AromaticContact CD1-CE3 3.93Å; W176-W195 AromaticContact CD1-CZ3 3.28Å; W176-W195 HydrophobicContact CD2-CE3 4.22Å; W176-W195 HydrophobicContact CD2-CZ3 4.03Å; W176-W195 AromaticContact CE2-CE3 3.42Å; W176-W195 VanDerWaalsContact CE2-CE3 3.42Å; W176-W195 AromaticContact CE2-CZ3 3.58Å; W176-W195 HydrophobicContact CG-CE3 4.5Å; W176-W195 AromaticContact CG-CZ3 3.86Å; W176-W195 HydrophobicContact CG-CZ3 3.86Å; W176-W195 AromaticContact CZ2-CE3 3.67Å; W176-W195 HydrophobicContact CZ2-CE3 3.67Å; W176-W195 HydrophobicContact CZ2-CZ3 4.3Å; W176-W195 AromaticContact NE1-CE3 3.23Å; W176-W195 AromaticContact NE1-CZ3 3.1Å; A179-W195 HydrophobicContact CB-CH2 4.09Å; A179-W195 HydrophobicContact CB-CZ3 4.49Å; R180-W195 HydrophobicContact CB-CE3 3.68Å; R180-W195 HydrophobicContact CB-CZ3 3.85Å; R180-W195 HydrophobicContact CG-CB 4.35Å; R180-W195 HydrophobicContact CG-CD2 4.33Å; R180-W195 HydrophobicContact CG-CE3 3.78Å; R180-W195 HydrophobicContact CG-CZ3 4.46Å; L183-W195 HydrophobicContact CD1-CZ2 3.98Å; I189-W195 VanDerWaalsContact CD1-CD1 3.4Å; I189-W195 HydrophobicContact CD1-CD2 4.34Å; I189-W195 HydrophobicContact CD1-CG 3.99Å; W195-V197 HydrophobicContact CD2-CB 3.96Å; W195-V197 HydrophobicContact CD2-CG2 4.44Å; W195-V197 HydrophobicContact CE3-CB 4.35Å; W195-V197 HydrophobicContact CH2-CB 4.15Å; W195-V197 HydrophobicContact CH2-CG1 4.33Å; W195-V197 HydrophobicContact CZ2-CB 3.73Å; W195-V197 HydrophobicContact CZ2-CG1 4.27Å; W195-V197 HydrophobicContact CZ2-CG2 3.75Å; W195-V197 HydrophobicContact CZ3-CB 4.45Å; W195-V197 PolarHBondContact O-N 2.92Å; W195-Y202 HydrophobicContact CH2-CE2 4.21Å
196E90.1Very high89.3Confident191 Ų19176.5 Ų76.589%0.89340%0.396SS*.SBendtrans-60.7-28.7-175.8-63175.7-17900113.2P194 M198P194-E196 PolarHBondContact O-N 3.01Å; E196-M198 PolarHBondContact O-N 3.39Å
197V91.1Very high88.6Confident44 Ų4476.5 Ų76.527%0.26741%0.407SS..SBendtrans-76.3119.2-178.8-177.30000110W176 W195 L201 Y202W176-V197 WeakPolarHBondContact CZ2-O 3.03Å; W176-V197 PolarHBondContact NE1-O 3.2Å; W195-V197 HydrophobicContact CD2-CB 3.96Å; W195-V197 HydrophobicContact CD2-CG2 4.44Å; W195-V197 HydrophobicContact CE3-CB 4.35Å; W195-V197 HydrophobicContact CH2-CB 4.15Å; W195-V197 HydrophobicContact CH2-CG1 4.33Å; W195-V197 HydrophobicContact CZ2-CB 3.73Å; W195-V197 HydrophobicContact CZ2-CG1 4.27Å; W195-V197 HydrophobicContact CZ2-CG2 3.75Å; W195-V197 HydrophobicContact CZ3-CB 4.45Å; W195-V197 PolarHBondContact O-N 2.92Å; V197-L201 HydrophobicContact CG1-CB 4.43Å; V197-L201 HydrophobicContact CG1-CD2 3.71Å; V197-Y202 HydrophobicContact CG1-CE2 4.03Å
198M92.4Very high87.8Confident141 Ų14181.2 Ų81.270%0.69541%0.412SS*.  trans-70.9146.7176.7-68-175.5178.500112.5E196 D200 L201E196-M198 PolarHBondContact O-N 3.39Å; M198-D200 PolarHBondContact O-N 3.47Å; M198-L201 WeakPolarHBondContact O-CB 3.48Å; M198-L201 PolarHBondContact O-N 3.16Å
199P92.2Very high87.1Confident23 Ų2381.7 Ų81.715%0.14941%0.407CS..G310 helixtrans-56.9-35.1176.3-23.332.4000113.7W176 L201 Y202 F203W176-P199 HydrophobicContact CD2-CB 4.02Å; W176-P199 HydrophobicContact CD2-CG 3.84Å; W176-P199 HydrophobicContact CE3-CB 4.33Å; W176-P199 HydrophobicContact CE3-CG 3.98Å; W176-P199 HydrophobicContact CG-CB 4.14Å; W176-P199 HydrophobicContact CG-CG 4.43Å; W176-P199 HydrophobicContact CH2-CG 4.05Å; W176-P199 HydrophobicContact CZ2-CG 3.91Å; W176-P199 HydrophobicContact CZ3-CG 4.07Å; P199-L201 PolarHBondContact O-N 3Å; P199-L201 VanDerWaalsContact O-N 3.08Å; P199-Y202 WeakPolarHBondContact O-CB 3.31Å; P199-Y202 PolarHBondContact O-N 3.13Å; P199-F203 HydrophobicContact CB-CZ 4.28Å
200D91.6Very high86.4Confident82 Ų8282.4 Ų82.444%0.43941%0.411SS..G310 helixtrans-62-22-175-62.613.8000113.3M198 Y202 F203M198-D200 PolarHBondContact O-N 3.47Å; D200-Y202 PolarHBondContact O-N 2.88Å; D200-F203 HydrophobicContact CB-CD2 4.08Å; D200-F203 HydrophobicContact CB-CE2 4.22Å; D200-F203 PolarHBondContact O-N 3.43Å; D200-F203 WeakPolarHBondContact OD1-CE2 3.42Å
201L91.8Very high85.7Confident67 Ų6785.3 Ų85.335%0.35142%0.419SS..G310 helixtrans-61-30.2174.5-174.163.4000112.1R85 K89 V197 M198 P199R85-L201 PolarHBondContact NE-O 3.11Å; R85-L201 PolarHBondContact NH2-O 2.85Å; K89-L201 HydrophobicContact CD-CD2 4.35Å; K89-L201 HydrophobicContact CD-CG 4.26Å; K89-L201 HydrophobicContact CG-CG 4.37Å; V197-L201 HydrophobicContact CG1-CB 4.43Å; V197-L201 HydrophobicContact CG1-CD2 3.71Å; M198-L201 WeakPolarHBondContact O-CB 3.48Å; M198-L201 PolarHBondContact O-N 3.16Å; P199-L201 PolarHBondContact O-N 3Å; P199-L201 VanDerWaalsContact O-N 3.08Å
202Y92.6Very high85.4Confident4 Ų490.1 Ų90.12%0.01644%0.441CS..G310 helixtrans-87.6-13-179.1-73.1-109.6000112.9A86 K89 F90 G172 W175 W176 W195 V197 P199 D200A86-Y202 HydrophobicContact CB-CD1 4.43Å; A86-Y202 VanDerWaalsContact CB-O 3.31Å; A86-Y202 WeakPolarHBondContact CB-O 3.47Å; A86-Y202 WeakPolarHBondContact O-CD1 3.3Å; K89-Y202 HydrophobicContact CB-CD1 3.89Å; K89-Y202 HydrophobicContact CB-CD2 4.34Å; K89-Y202 HydrophobicContact CB-CE1 3.66Å; K89-Y202 HydrophobicContact CB-CE2 4.11Å; K89-Y202 HydrophobicContact CB-CG 4.23Å; K89-Y202 PolarHBondContact O-OH 3.13Å; F90-Y202 HydrophobicContact CB-CE1 4.16Å; G172-Y202 WeakPolarHBondContact O-CB 3.43Å; W175-Y202 HydrophobicContact CB-CD1 3.97Å; W176-Y202 HydrophobicContact CB-CD1 4.29Å; W176-Y202 HydrophobicContact CB-CD2 3.95Å; W176-Y202 HydrophobicContact CB-CE2 4.37Å; W176-Y202 HydrophobicContact CB-CG 3.92Å; W176-Y202 AromaticContact CD1-CD2 3.51Å; W176-Y202 AromaticContact CD1-CE2 3.52Å; W176-Y202 HydrophobicContact CG-CD2 4.14Å; W176-Y202 HydrophobicContact CG-CE2 4.34Å; W195-Y202 HydrophobicContact CH2-CE2 4.21Å; V197-Y202 HydrophobicContact CG1-CE2 4.03Å; P199-Y202 WeakPolarHBondContact O-CB 3.31Å; P199-Y202 PolarHBondContact O-N 3.13Å; D200-Y202 PolarHBondContact O-N 2.88Å
203F92.5Very high84.9Confident22 Ų2286.7 Ų86.710%0.09643%0.425CS..SBendtrans-69.3136.7178.3-61.8-18.7000110.4R85 H169 L173 P199 D200R85-F203 VanDerWaalsContact CD-O 3.23Å; R85-F203 WeakPolarHBondContact CD-O 3.32Å; R85-F203 PolarHBondContact NE-O 3.25Å; H169-F203 HydrophobicContact CB-CE1 4.43Å; H169-F203 HydrophobicContact CB-CZ 4.34Å; H169-F203 AromaticContact CD2-CD2 3.59Å; H169-F203 AromaticContact CD2-CE2 3.65Å; H169-F203 WeakPolarHBondContact O-CE1 3.22Å; L173-F203 HydrophobicContact CB-CE1 4.08Å; P199-F203 HydrophobicContact CB-CZ 4.28Å; D200-F203 HydrophobicContact CB-CD2 4.08Å; D200-F203 HydrophobicContact CB-CE2 4.22Å; D200-F203 PolarHBondContact O-N 3.43Å; D200-F203 WeakPolarHBondContact OD1-CE2 3.42Å
204Y86.4Confident84.5Confident41 Ų4186.9 Ų86.916%0.16143%0.426CS..  trans-67133165.6171.8-93.5000108.7N81 T82 H168 D206N81-Y204 HydrophobicContact CB-CE2 3.92Å; N81-Y204 WeakPolarHBondContact O-CD2 3.42Å; T82-Y204 WeakPolarHBondContact O-CB 3.14Å; H168-Y204 AromaticContact CE1-CD1 3.96Å; H168-Y204 AromaticContact ND1-CD1 3.39Å; H168-Y204 WeakPolarHBondContact ND1-CD1 3.48Å; Y204-D206 WeakPolarHBondContact CE1-OD1 3.4Å; Y204-D206 VanDerWaalsContact CZ-OD1 3.25Å; Y204-D206 PolarHBondContact OH-OD1 2.83Å
205R84.1Confident83.7Confident99 Ų9987 Ų8737%0.37442%0.417SS..  trans-121.2137.7172.8-65.6-168.4-173.9-175.4-0.5107.3I210 E213R205-I210 HydrophobicContact CB-CD1 3.97Å; R205-I210 HydrophobicContact CB-CG1 3.84Å; R205-E213 IonicContact NH1-OE2 3.13Å; R205-E213 PolarHBondContact NH1-OE2 3.42Å; R205-E213 VanDerWaalsContact NH1-OE2 3.13Å
206D78.1Confident83Confident61 Ų6186.6 Ų86.633%0.32642%0.423SS..  trans-68.8136.7176.9-77.2-51.8000109.8Y204 E208 E209 I210Y204-D206 WeakPolarHBondContact CE1-OD1 3.4Å; Y204-D206 VanDerWaalsContact CZ-OD1 3.25Å; Y204-D206 PolarHBondContact OH-OD1 2.83Å; D206-E208 PolarHBondContact O-N 2.82Å; D206-E209 HydrophobicContact CB-CB 4.46Å; D206-E209 HydrophobicContact CB-CG 4.13Å; D206-E209 WeakPolarHBondContact O-CB 3.24Å; D206-E209 PolarHBondContact O-N 2.87Å; D206-I210 WeakPolarHBondContact O-CG1 3.34Å; D206-I210 PolarHBondContact O-N 2.76Å
207P75.4Confident82.5Confident79 Ų7980.2 Ų80.251%0.51340%0.403SS..Hα-helixtrans-54.3-37.8-178.9-26.834.1000113.6E209 I210 E211P207-E209 VanDerWaalsContact C-N 3.34Å; P207-E209 PolarHBondContact O-N 3.38Å; P207-I210 WeakPolarHBondContact O-CB 3.09Å; P207-I210 PolarHBondContact O-N 3.25Å; P207-E211 PolarHBondContact O-N 3.31Å
208E74.7Confident81.8Confident161 Ų16180.8 Ų80.875%0.75241%0.412SS*.Hα-helixtrans-66.8-34.7178-61.5179.5-179.700112.5D206 K212D206-E208 PolarHBondContact O-N 2.82Å; E208-K212 WeakPolarHBondContact O-CB 3.3Å; E208-K212 PolarHBondContact O-N 3.4Å; E208-K212 VanDerWaalsContact O-N 3.07Å
209E74.8Confident80.7Confident107 Ų10780.2 Ų80.250%0.541%0.408SS..Hα-helixtrans-71.4-35.9174.8-65.8-175.1156.500111D206 P207 K212 E213D206-E209 HydrophobicContact CB-CB 4.46Å; D206-E209 HydrophobicContact CB-CG 4.13Å; D206-E209 WeakPolarHBondContact O-CB 3.24Å; D206-E209 PolarHBondContact O-N 2.87Å; P207-E209 VanDerWaalsContact C-N 3.34Å; P207-E209 PolarHBondContact O-N 3.38Å; E209-K212 PolarHBondContact O-N 3.42Å; E209-E213 VanDerWaalsContact O-CB 3.29Å; E209-E213 WeakPolarHBondContact O-CB 3.27Å; E209-E213 VanDerWaalsContact O-CG 3.27Å; E209-E213 WeakPolarHBondContact O-CG 3.33Å; E209-E213 PolarHBondContact O-N 2.94Å
210I75.6Confident79.7Confident49 Ų4986 Ų8625%0.25143%0.431SS..Hα-helixtrans-61.8-50.8174.4-62.1169.7000109.9R205 D206 P207 K212 E213 E214R205-I210 HydrophobicContact CB-CD1 3.97Å; R205-I210 HydrophobicContact CB-CG1 3.84Å; D206-I210 WeakPolarHBondContact O-CG1 3.34Å; D206-I210 PolarHBondContact O-N 2.76Å; P207-I210 WeakPolarHBondContact O-CB 3.09Å; P207-I210 PolarHBondContact O-N 3.25Å; I210-K212 VanDerWaalsContact C-N 3.3Å; I210-K212 PolarHBondContact O-N 3.36Å; I210-E213 PolarHBondContact O-N 2.83Å; I210-E214 HydrophobicContact CG2-CG 4.25Å; I210-E214 WeakPolarHBondContact CG2-OE1 3.34Å; I210-E214 WeakPolarHBondContact O-CB 3.33Å; I210-E214 VanDerWaalsContact O-CG 3.27Å; I210-E214 WeakPolarHBondContact O-CG 3.42Å; I210-E214 PolarHBondContact O-N 2.87Å
211E76.9Confident78.7Confident116 Ų11684.4 Ų84.454%0.54243%0.429SS..Hα-helixtrans-60.3-40.9179.2-71.7179.2-177.500111.7P207 E214 Q215P207-E211 PolarHBondContact O-N 3.31Å; E211-E214 PolarHBondContact O-N 2.82Å; E211-Q215 VanDerWaalsContact O-CB 3.3Å; E211-Q215 WeakPolarHBondContact O-CB 3.46Å; E211-Q215 WeakPolarHBondContact O-CG 3.44Å; E211-Q215 PolarHBondContact O-N 2.89Å
212K79.3Confident77.5Confident154 Ų15484.8 Ų84.867%0.6743%0.434SS*.Hα-helixtrans-69.5-38.9177.7-170.8177.7-178.4178.90112.9E208 E209 I210 A216E208-K212 WeakPolarHBondContact O-CB 3.3Å; E208-K212 PolarHBondContact O-N 3.4Å; E208-K212 VanDerWaalsContact O-N 3.07Å; E209-K212 PolarHBondContact O-N 3.42Å; I210-K212 VanDerWaalsContact C-N 3.3Å; I210-K212 PolarHBondContact O-N 3.36Å; K212-A216 VanDerWaalsContact O-CB 3.25Å; K212-A216 WeakPolarHBondContact O-CB 3.44Å; K212-A216 PolarHBondContact O-N 3.24Å
213E76.6Confident76.2Confident102 Ų10288.7 Ų88.748%0.47746%0.458SS..Hα-helixtrans-67.7-39.6174.9-78-177.6172.400111.5R205 E209 I210 A216 A217R205-E213 IonicContact NH1-OE2 3.13Å; R205-E213 PolarHBondContact NH1-OE2 3.42Å; R205-E213 VanDerWaalsContact NH1-OE2 3.13Å; E209-E213 VanDerWaalsContact O-CB 3.29Å; E209-E213 WeakPolarHBondContact O-CB 3.27Å; E209-E213 VanDerWaalsContact O-CG 3.27Å; E209-E213 WeakPolarHBondContact O-CG 3.33Å; E209-E213 PolarHBondContact O-N 2.94Å; I210-E213 PolarHBondContact O-N 2.83Å; E213-A216 PolarHBondContact O-N 3.49Å; E213-A217 WeakPolarHBondContact O-CB 3.45Å; E213-A217 PolarHBondContact O-N 2.78Å
214E78.2Confident74.5Confident127 Ų12795 Ų9559%0.59349%0.485SS*.Hα-helixtrans-67.1-42.2175.9-74.4177.7178.100111.3I210 E211 A217 A218I210-E214 HydrophobicContact CG2-CG 4.25Å; I210-E214 WeakPolarHBondContact CG2-OE1 3.34Å; I210-E214 WeakPolarHBondContact O-CB 3.33Å; I210-E214 VanDerWaalsContact O-CG 3.27Å; I210-E214 WeakPolarHBondContact O-CG 3.42Å; I210-E214 PolarHBondContact O-N 2.87Å; E211-E214 PolarHBondContact O-N 2.82Å; E214-A217 PolarHBondContact O-N 3.39Å; E214-A218 VanDerWaalsContact O-CB 3.32Å; E214-A218 WeakPolarHBondContact O-CB 3.33Å; E214-A218 PolarHBondContact O-N 3.25Å
215Q71Confident73Confident115 Ų11599.9 Ų99.954%0.53751%0.509SS..Hα-helixtrans-61.5-46.9171.7-74.5167.81500111.3E211 A217 A218 E219E211-Q215 VanDerWaalsContact O-CB 3.3Å; E211-Q215 WeakPolarHBondContact O-CB 3.46Å; E211-Q215 WeakPolarHBondContact O-CG 3.44Å; E211-Q215 PolarHBondContact O-N 2.89Å; Q215-A217 VanDerWaalsContact C-N 3.3Å; Q215-A217 PolarHBondContact O-N 3.25Å; Q215-A218 PolarHBondContact O-N 3.06Å; Q215-E219 WeakPolarHBondContact O-CB 3.3Å; Q215-E219 WeakPolarHBondContact O-CG 3.42Å; Q215-E219 PolarHBondContact O-N 3.02Å
216A76.8Confident71.4Confident33 Ų33100.9 Ų100.927%0.27352%0.518SS..Hα-helixtrans-66.8-30.9177.300000112.8K212 E213 K220K212-A216 VanDerWaalsContact O-CB 3.25Å; K212-A216 WeakPolarHBondContact O-CB 3.44Å; K212-A216 PolarHBondContact O-N 3.24Å; E213-A216 PolarHBondContact O-N 3.49Å; A216-K220 VanDerWaalsContact O-CB 3.27Å; A216-K220 WeakPolarHBondContact O-CB 3.21Å; A216-K220 WeakPolarHBondContact O-CD 3.38Å; A216-K220 WeakPolarHBondContact O-CG 3.35Å; A216-K220 PolarHBondContact O-N 3.07Å
217A81.2Confident69.6Low58 Ų58105.5 Ų105.548%0.47954%0.536SS..Hα-helixtrans-72.6-39.317400000111.3E213 E214 Q215 K220 A221E213-A217 WeakPolarHBondContact O-CB 3.45Å; E213-A217 PolarHBondContact O-N 2.78Å; E214-A217 PolarHBondContact O-N 3.39Å; Q215-A217 VanDerWaalsContact C-N 3.3Å; Q215-A217 PolarHBondContact O-N 3.25Å; A217-K220 PolarHBondContact O-N 2.98Å; A217-A221 VanDerWaalsContact O-CB 3.31Å; A217-A221 WeakPolarHBondContact O-CB 3.15Å; A217-A221 PolarHBondContact O-N 3.01Å
218A75.4Confident68.2Low56 Ų56109.3 Ų109.346%0.46355%0.547SS..Hα-helixtrans-63.6-47.1172.700000110.8E214 Q215 K220 A221 V222E214-A218 VanDerWaalsContact O-CB 3.32Å; E214-A218 WeakPolarHBondContact O-CB 3.33Å; E214-A218 PolarHBondContact O-N 3.25Å; Q215-A218 PolarHBondContact O-N 3.06Å; A218-K220 PolarHBondContact O-N 2.83Å; A218-A221 WeakPolarHBondContact O-CB 3.45Å; A218-A221 PolarHBondContact O-N 3.43Å; A218-A221 VanDerWaalsContact O-N 3.13Å; A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.25Å; A218-V222 PolarHBondContact O-N 3.48Å
219E70.1Confident67Low129 Ų129104.7 Ų104.760%0.60354%0.542SS*.Hα-helixtrans-59.2-44.1173.5-73.1175.5-179.200111.7Q215 A221 V222 V223Q215-E219 WeakPolarHBondContact O-CB 3.3Å; Q215-E219 WeakPolarHBondContact O-CG 3.42Å; Q215-E219 PolarHBondContact O-N 3.02Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 3.21Å; E219-V222 PolarHBondContact O-N 2.96Å; E219-V223 WeakPolarHBondContact O-CB 3.46Å; E219-V223 VanDerWaalsContact O-CG2 3.22Å; E219-V223 WeakPolarHBondContact O-CG2 3.44Å; E219-V223 PolarHBondContact O-N 2.83Å
220K71.3Confident65.5Low144 Ų144107.5 Ų107.563%0.62656%0.555SS**Hα-helixtrans-67.2-29.2175.7-76.1170.2-174.9173.60113.3A216 A217 A218 K224A216-K220 VanDerWaalsContact O-CB 3.27Å; A216-K220 WeakPolarHBondContact O-CB 3.21Å; A216-K220 WeakPolarHBondContact O-CD 3.38Å; A216-K220 WeakPolarHBondContact O-CG 3.35Å; A216-K220 PolarHBondContact O-N 3.07Å; A217-K220 PolarHBondContact O-N 2.98Å; A218-K220 PolarHBondContact O-N 2.83Å; K220-K224 WeakPolarHBondContact O-CB 3.13Å; K220-K224 WeakPolarHBondContact O-CG 3.25Å; K220-K224 PolarHBondContact O-N 3.1Å
221A69.7Low63.5Low48 Ų48115.1 Ų115.140%0.39758%0.581SS.*Hα-helixtrans-72.4-45.6174.800000110.4A217 A218 E219 V223 K224 E225A217-A221 VanDerWaalsContact O-CB 3.31Å; A217-A221 WeakPolarHBondContact O-CB 3.15Å; A217-A221 PolarHBondContact O-N 3.01Å; A218-A221 WeakPolarHBondContact O-CB 3.45Å; A218-A221 PolarHBondContact O-N 3.43Å; A218-A221 VanDerWaalsContact O-N 3.13Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 3.21Å; A221-V223 PolarHBondContact O-N 3.2Å; A221-K224 PolarHBondContact O-N 2.82Å; A221-K224 VanDerWaalsContact O-N 3.16Å; A221-E225 PolarHBondContact O-N 3.38Å
222V67Low61.9Low76 Ų76115.6 Ų115.646%0.46159%0.592SS.*Hα-helixtrans-59.7-46.1174.1175.50000110.7A218 E219 K224 E225 E226A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.25Å; A218-V222 PolarHBondContact O-N 3.48Å; E219-V222 PolarHBondContact O-N 2.96Å; V222-K224 VanDerWaalsContact C-N 3.33Å; V222-K224 PolarHBondContact O-N 3.03Å; V222-E225 PolarHBondContact O-N 3.19Å; V222-E226 WeakPolarHBondContact O-CG 3.43Å; V222-E226 PolarHBondContact O-N 3.45Å
223V64.9Low59.9Low86 Ų86111.3 Ų111.352%0.52159%0.585SS.*Hα-helixtrans-66.1-32.5176.6172.40000112.3E219 A221 F227E219-V223 WeakPolarHBondContact O-CB 3.46Å; E219-V223 VanDerWaalsContact O-CG2 3.22Å; E219-V223 WeakPolarHBondContact O-CG2 3.44Å; E219-V223 PolarHBondContact O-N 2.83Å; A221-V223 PolarHBondContact O-N 3.2Å; V223-F227 WeakPolarHBondContact O-CB 3.5Å; V223-F227 PolarHBondContact O-N 3.06Å
224K57.7Low58.2Low153 Ų153112.4 Ų112.467%0.66560%0.602SS**Hα-helixtrans-69.5-37.7173.2-90.1-177.5176.1-178.80112.3K220 A221 V222 Q228K220-K224 WeakPolarHBondContact O-CB 3.13Å; K220-K224 WeakPolarHBondContact O-CG 3.25Å; K220-K224 PolarHBondContact O-N 3.1Å; A221-K224 PolarHBondContact O-N 2.82Å; A221-K224 VanDerWaalsContact O-N 3.16Å; V222-K224 VanDerWaalsContact C-N 3.33Å; V222-K224 PolarHBondContact O-N 3.03Å; K224-Q228 WeakPolarHBondContact O-CB 3.37Å; K224-Q228 WeakPolarHBondContact O-CG 3.46Å; K224-Q228 PolarHBondContact O-N 2.83Å
225E53.9Low56Low144 Ų144115.7 Ų115.767%0.67362%0.617SS**Hα-helixtrans-69.7-41.2175.2-72.6-174.1171.100111.3A221 V222 Q228 G229A221-E225 PolarHBondContact O-N 3.38Å; V222-E225 PolarHBondContact O-N 3.19Å; E225-Q228 PolarHBondContact O-N 3.26Å; E225-G229 PolarHBondContact O-N 2.59Å
226E50.8Low54.3Low121 Ų121114.7 Ų114.757%0.56563%0.628SS**Hα-helixtrans-63.3-43.1172.4-73.2178.2165.300111.8V222 Q228 G229 E230V222-E226 WeakPolarHBondContact O-CG 3.43Å; V222-E226 PolarHBondContact O-N 3.45Å; E226-Q228 VanDerWaalsContact C-N 3.31Å; E226-Q228 PolarHBondContact O-N 3.4Å; E226-G229 PolarHBondContact O-N 3.27Å; E226-G229 VanDerWaalsContact O-N 3.11Å; E226-E230 PolarHBondContact O-N 3.22Å; E226-E230 VanDerWaalsContact O-N 3.13Å
227F39.5Very low52.3Low158 Ų158122.2 Ų122.269%0.69366%0.658SS**Hα-helixtrans-66.8-29176.6-173.9-99.1000113.2V223V223-F227 WeakPolarHBondContact O-CB 3.5Å; V223-F227 PolarHBondContact O-N 3.06Å
228Q46.1Very low49.9Very low159 Ų159127.8 Ų127.874%0.74367%0.671SS**Hα-helixtrans-77.4-26171.7-79.6-177.5-16.100112.8K224 E225 E226K224-Q228 WeakPolarHBondContact O-CB 3.37Å; K224-Q228 WeakPolarHBondContact O-CG 3.46Å; K224-Q228 PolarHBondContact O-N 2.83Å; E225-Q228 PolarHBondContact O-N 3.26Å; E226-Q228 VanDerWaalsContact C-N 3.31Å; E226-Q228 PolarHBondContact O-N 3.4Å
229G51.2Low48.1Very low64 Ų64131.2 Ų131.266%0.6669%0.687SS**Hα-helixtrans-75.2-26174.200000114.3E225 E226E225-G229 PolarHBondContact O-N 2.59Å; E226-G229 PolarHBondContact O-N 3.27Å; E226-G229 VanDerWaalsContact O-N 3.11Å
230E41.5Very low46.2Very low165 Ų165132.9 Ų132.977%0.77170%0.695SS**SBendtrans-103.55.9-170.7-148.2162.7-169.400114.8E226 T232E226-E230 PolarHBondContact O-N 3.22Å; E226-E230 VanDerWaalsContact O-N 3.13Å; E230-T232 PolarHBondContact O-N 3.45Å
231W34.6Very low44.5Very low210 Ų210131.4 Ų131.480%0.79570%0.7SS**  trans-89.674.2169.4-157.771.4000111.3
232T42.4Very low42.7Very low125 Ų125138 Ų13877%0.76772%0.722SS**  trans-90.6111.4159.536.80000108.6E230E230-T232 PolarHBondContact O-N 3.45Å
233A37.2Very low41.3Very low64 Ų64140.9 Ų140.953%0.52974%0.74SS.*PPolyproline II helixtrans-62.1129.7173.400000109.6Q235A233-Q235 PolarHBondContact O-N 3.17Å; A233-Q235 VanDerWaalsContact O-N 3.17Å
234P41Very low39.6Very low126 Ų126142 Ų14282%0.81875%0.747SS**PPolyproline II helixtrans-65.1118.917424.3-30.6000109.2A236P234-A236 PolarHBondContact O-N 3.24Å
235Q33.2Very low38.4Very low195 Ų195142.4 Ų142.491%0.91176%0.757SS**PPolyproline II helixtrans-62.6116.2170.3-84.1-179.4-44.400109A233 E237A233-Q235 PolarHBondContact O-N 3.17Å; A233-Q235 VanDerWaalsContact O-N 3.17Å; Q235-E237 PolarHBondContact O-N 3.26Å
236A35.8Very low37.3Very low94 Ų94146 Ų14678%0.77776%0.764SS**  trans-75.1114.3167.200000109.1P234 F238P234-A236 PolarHBondContact O-N 3.24Å; A236-F238 PolarHBondContact O-N 3.08Å
237E33.7Very low36.5Very low192 Ų192145.5 Ų145.590%0.89777%0.774SS**  trans-64.9110.3167.5-76.2179.4157.600109.6Q235Q235-E237 PolarHBondContact O-N 3.26Å
238F29.9Very low36Very low174 Ų174147.4 Ų147.476%0.76379%0.785SS**  trans-96.998.6173.3-167.4-100.6000109.1A236 Q240A236-F238 PolarHBondContact O-N 3.08Å; F238-Q240 HydrophobicContact CD1-CG 3.75Å; F238-Q240 HydrophobicContact CE1-CG 3.5Å
239T37.6Very low35.3Very low129 Ų129143.2 Ų143.279%0.79178%0.784SS**  trans-79.5114.3167.634.60000109.4
240Q31.5Very low34.3Very low163 Ų163147.7 Ų147.776%0.76280%0.798SS**PPolyproline II helixtrans-80.7132.5170.9-77.2-178.43.800110.4F238F238-Q240 HydrophobicContact CD1-CG 3.75Å; F238-Q240 HydrophobicContact CE1-CG 3.5Å
241P35.8Very low33.7Very low113 Ų113143.6 Ų143.673%0.73479%0.792SS**PPolyproline II helixtrans-81.6137.9162.731.5-29.5000110.9V243P241-V243 PolarHBondContact O-N 3.2Å
242E32.2Very low33.4Very low187 Ų187140.2 Ų140.287%0.87480%0.795SS**PPolyproline II helixtrans-60.5121.9176.3-166.4176.2-172.900111.2
243V35.9Very low33.2Very low136 Ų136140.2 Ų140.282%0.82480%0.797SS**  trans-108.2119.9170.3177.10000108.6P241P241-V243 PolarHBondContact O-N 3.2Å
244T29.7Very low33Very low110 Ų110142.2 Ų142.268%0.67581%0.807SS**  trans-70.5124.7-177.9380000112.3
245D32Very low32.6Very low162 Ų162143.1 Ų143.187%0.86681%0.81SS**  trans-69124.6174.5-170.420.4000110.8
246W32.2Very low32.8Very low220 Ų220139.3 Ų139.383%0.83380%0.802SS**  trans-124.5112.7174.3-98.780000110.3
247S32.5Very low32.8Very low109 Ų109142.7 Ų142.776%0.76281%0.805SS**  trans87.8118.6150.369.50000121
248E30.7Very low32.9Very low199 Ų199141.9 Ų141.993%0.9380%0.802SS**  trans-63.2148.9167.1-66.2171.3129.300114
249G31Very low33Very low70 Ų70142.6 Ų142.672%0.72281%0.807SS**  trans111.6103.1137.300000117.1
250V29.8Very low32.7Very low158 Ų158145.5 Ų145.596%0.95881%0.809SS**  172.4136.5122163.70000108.7
251A28.1Very low32.8Very low79 Ų79143.7 Ų143.765%0.65381%0.811SS**  trans-105.9156-165.600000115.1
252V29.9Very low32.4Very low139 Ų139143.4 Ų143.484%0.84282%0.819SS**  trans68.6153.8150.9-84.70000121.2
253P36.8Very low32.3Very low126 Ų126139.3 Ų139.382%0.81882%0.817SS**  cis-134.3173.313.930.1-5.9000118.9
254S34.6Very low31.9Very low105 Ų105137.9 Ų137.973%0.73482%0.819SS**  trans-79.5149.5-174.9530000117.7
255V32.3Very low31.9Very low145 Ų145137.1 Ų137.188%0.87983%0.825SS**  trans-149142.9148.8-1780000109.4
256P37.6Very low32Very low115 Ų115135.3 Ų135.375%0.74782%0.821SS**PPolyproline II helixtrans-99.4156.8-148.611.17.6000117.4
257I35.7Very low32Very low165 Ų165130.7 Ų130.785%0.84682%0.817SS**PPolyproline II helixtrans-77.2131.3167.6-71.2162.4000110.2
258Q35.8Very low31.9Very low176 Ų176135.3 Ų135.382%0.82282%0.824SS**PPolyproline II helixtrans-70.2127.7174.5-79.1176.5-36.800111.9
259Q30.8Very low31.7Very low189 Ų189132.2 Ų132.288%0.88382%0.818SS**PPolyproline II helixtrans-92.4138.1166.3-74.5173.7-29.500110.3
260F30.8Very low31.5Very low190 Ų190132 Ų13283%0.83382%0.817SS**  trans-108.4139.4158.2-81.6-82.2000109.4
261P34.6Very low31.5Very low124 Ų124134 Ų13481%0.80582%0.816SS**PPolyproline II helixtrans-91.8142.5-17035-31.8000112.5
262A27.5Very low31.4Very low107 Ų107136 Ų13688%0.88482%0.82SS**PPolyproline II helixtrans-103119.4160.300000108.8
263A29.2Very low31.3Very low102 Ų102140.8 Ų140.884%0.84383%0.825SS**PPolyproline II helixtrans-92.1132.5178.400000111.7
264A29Very low30.9Very low105 Ų105141.2 Ų141.287%0.86883%0.825SS**  trans-4.7141.3162.200000122
265A29.8Very low30.8Very low95 Ų95141 Ų14179%0.78583%0.829SS**  trans-140.8146.6142.100000110.2
266P33.8Very low30.8Very low123 Ų123138 Ų13880%0.79982%0.82SS**  trans-94.5140.4-160.635.4-32.8000115.5
267V32.1Very low30.5Very low124 Ų124141.6 Ų141.675%0.75283%0.827SS**  trans25.1117.6142-169.30000119.6
268K30.2Very low30.1Very low206 Ų206140.8 Ų140.890%0.89682%0.824SS**  -139.5119.4129.2-87.3-170.8178.4178.50110.3
269T26.4Very low30.3Very low133 Ų133143.1 Ų143.182%0.81683%0.826SS**  trans-40.7141155.142.60000111.2
270G27.5Very low30.8Very low67 Ų67138.7 Ų138.769%0.69182%0.815SS**  cis140.7122.515.800000105.3
271E28.3Very low31Very low199 Ų199136.6 Ų136.693%0.9382%0.818SS**  trans-179.8141.5147.1-99.9166.3-159.300110.8
272T25.8Very low31.1Very low122 Ų122139.8 Ų139.875%0.74882%0.822SS**  trans-85.2145.8-159.941.80000113.7
273Y27.6Very low31.5Very low239 Ų239140.4 Ų140.494%0.93782%0.818SS**  trans-117.1117.5153.3-75.6-81.4000109.4
274T29.6Very low31.8Very low134 Ų134139.9 Ų139.982%0.82281%0.813SS**  trans-98.6146.6165.344.30000109.7
275A31.9Very low32Very low100 Ų100140.7 Ų140.783%0.82681%0.808SS**  trans-65.5153.8-179.400000114.5
276A31.9Very low32.1Very low82 Ų82143.5 Ų143.568%0.67881%0.809SS**  152.5138.4125.800000112.2
277E31.4Very low32Very low191 Ų191143.4 Ų143.489%0.89380%0.802SS**  trans67.2152.2150.2-67.6167.3-165.100118
278D28.8Very low32.1Very low148 Ų148149.7 Ų149.779%0.79181%0.812SS**  cis-168.6165.7-20.3-172.513.5000104.4
279W38.9Very low32.3Very low226 Ų226144 Ų14486%0.85680%0.799SS**  trans-48.1152.9-175.1-142-91.4000117.3
280S41.2Very low32.7Very low95 Ų95143.9 Ų143.966%0.66480%0.798SS**  trans63.197.9159.858.10000118.9
281T36.3Very low32.9Very low146 Ų146144.7 Ų144.790%0.89680%0.798SS**  trans179.5105.113324.70000108.9
282Q35.8Very low33.3Very low191 Ų191141.4 Ų141.489%0.89379%0.794SS**  trans-126.8129.8154.4-103.8-175.6-21.900108.9
283P36.9Very low33.6Very low121 Ų121142 Ų14279%0.78680%0.798SS**  trans-75.6148.8-177.531.5-33.2000111.2
284A35.2Very low33.9Very low91 Ų91135.3 Ų135.375%0.75279%0.792SS**  trans-59.2150.2168.300000112.3
285T31.7Very low34.2Very low122 Ų122137.9 Ų137.975%0.74880%0.795SS**  trans148.1132.9156.641.70000107.1
286D33.2Very low34.2Very low153 Ų153138 Ų13882%0.81880%0.796SS**  cis-154.1154.4-1.3-99.4-39.7000109.2
287D31Very low34.4Very low121 Ų121139.4 Ų139.465%0.64780%0.801SS**  trans-51.8128.8-179.3-165.8-1.4000115S289D287-S289 WeakPolarHBondContact OD1-CB 3.48Å; D287-S289 PolarHBondContact OD1-N 2.66Å; D287-S289 PolarHBondContact OD1-OG 2.95Å
288W35.5Very low34.3Very low256 Ų256137.4 Ų137.497%0.9780%0.796SS**  trans-123.556.6161.3-144-19000110.6
289S33.3Very low34.6Very low88 Ų88142.2 Ų142.262%0.61580%0.803SS**  trans-121.680.9164.965.70000111.1D287D287-S289 WeakPolarHBondContact OD1-CB 3.48Å; D287-S289 PolarHBondContact OD1-N 2.66Å; D287-S289 PolarHBondContact OD1-OG 2.95Å
290T34.1Very low34.3Very low129 Ų129134.4 Ų134.479%0.79179%0.793SS**  trans-143.2124157.742.20000111.7
291A33.3Very low33.9Very low85 Ų85133.1 Ų133.170%0.70280%0.795SS**  trans-60.7147.2172.100000111.3T293A291-T293 PolarHBondContact O-N 3.21Å
292P35.4Very low33.8Very low130 Ų130132.8 Ų132.884%0.84479%0.793SS**  trans-73.8111.8170.629.3-29.5000109.3A294P292-A294 PolarHBondContact O-N 3.18Å
293T33Very low34.2Very low134 Ų134130.1 Ų130.182%0.82279%0.79SS**  trans-60.1111.8164.1-1.90000108.8A291 Q295A291-T293 PolarHBondContact O-N 3.21Å; T293-Q295 PolarHBondContact O-N 3.29Å
294A34.7Very low34.4Very low99 Ų99129.3 Ų129.382%0.81879%0.786SS**  trans-65.1115.1165.400000108.4P292 A296P292-A294 PolarHBondContact O-N 3.18Å; A294-A296 PolarHBondContact O-N 3.22Å
295Q34.4Very low34.6Very low188 Ų188132.5 Ų132.588%0.87979%0.791SS**  trans-63.4119.9167.2-79.2-178.3-42.200109T293 S297T293-Q295 PolarHBondContact O-N 3.29Å; Q295-S297 PolarHBondContact O-N 3.29Å
296A31.6Very low35.3Very low102 Ų102138.2 Ų138.284%0.84380%0.799SS**  trans-65.9111.8161.800000108.7A294A294-A296 PolarHBondContact O-N 3.22Å
297S36.4Very low36Very low112 Ų112140 Ų14078%0.78382%0.823SS**  trans-85.5105.1161.5520000108.4Q295 W299Q295-S297 PolarHBondContact O-N 3.29Å; S297-W299 PolarHBondContact O-N 3.49Å
298D30.5Very low36.2Very low149 Ų149140.9 Ų140.980%0.79783%0.832SS**  trans-63.8120162.8-17728.5000109.5
299W34.8Very low36.3Very low249 Ų249134.8 Ų134.894%0.94383%0.825SS**  trans-135.698.8158.7-108.774.6000106.4S297S297-W299 PolarHBondContact O-N 3.49Å
300G32.1Very low36.4Very low62 Ų62137.4 Ų137.464%0.63984%0.836SS**  trans-72.4161.3-179.400000114.6
301G33.1Very low36.6Very low68 Ų68137.9 Ų137.970%0.70184%0.839SS**  trans100.297.6145.600000116.7
302T34.6Very low36.8Very low139 Ų139141.3 Ų141.385%0.85385%0.848SS**  166.3136.290.934.40000111.1
303T43Very low36.9Very low135 Ų135142 Ų14283%0.82885%0.848SS**  trans-53.4137166.645.60000112.7
304S40.5Very low37.2Very low103 Ų103142.6 Ų142.672%0.7285%0.85SS**  trans-158.6111.913938.90000111
305D41.4Very low37.4Very low159 Ų159145.9 Ų145.985%0.8585%0.852SS**  trans-44.6132.8156.4-71.5-56000110.9
306W45.8Very low37.6Very low241 Ų241142.4 Ų142.491%0.91385%0.85SS**  trans-127.6133151.8-89.766.9000109.1
307S47.4Very low38.1Very low190 Ų190146.1 Ų146.1100%1.32985%0.851SS**  trans-66.30-167.8-42.90000114.7

Retrieved 307 of 307 residues in 97.4 ms (Link to these results)

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