A0A096N9P3_PAPAN Loading...

Ribose-phosphate pyrophosphokinase 1

Catalyzes the synthesis of phosphoribosylpyrophosphate (PRPP) that is essential for nucleotide synthesis.

AlphaFold DB (A0A2K6PL50), UniProt , Accession A0A096N9P3, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 318 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
1M61.8Low91.1Very high187 Ų18747.5 Ų47.592%0.92126%0.258SS*.  0142.80-76.9165.4169.400106.9
2P76.8Confident91Very high53 Ų5344.1 Ų44.134%0.34424%0.239SC..PPolyproline II helixtrans-55.5151171.425.9-33.8000109.8G50 D52 H304P2-G50 WeakPolarHBondContact CB-O 3.33Å; P2-D52 HydrophobicContact CB-CB 4.29Å; P2-D52 HydrophobicContact CG-CB 4.08Å; P2-H304 PolarHBondContact O-CE1 3.43Å; P2-H304 PolarHBondContact O-NE2 2.82Å
3N91.8Very high91.1Very high103 Ų10350.1 Ų50.155%0.55127%0.265SS*.PPolyproline II helixtrans-76.5149.4173.6-56.4-56000109.5E51 D52N3-E51 VanDerWaalsContact CA-OE2 3.29Å; N3-E51 WeakPolarHBondContact CA-OE2 3.16Å; N3-E51 WeakPolarHBondContact CB-OE2 3.47Å; N3-E51 PolarHBondContact N-OE2 2.83Å; N3-E51 PolarHBondContact ND2-OE1 2.96Å; N3-E51 PolarHBondContact ND2-OE2 3.31Å; N3-D52 PolarHBondContact O-N 2.91Å
4I97.5Very high91.5Very high34 Ų3451.1 Ų51.117%0.17427%0.271CS..EExtended strand (participates in β ladder)trans-79.7135.6173.7-177.4165.9000110.7I6 L25 D52 Y54 I300 H304I4-I6 HydrophobicContact CG1-CG1 4.49Å; I4-L25 HydrophobicContact CB-CD1 4.47Å; I4-L25 HydrophobicContact CD1-CD1 4.19Å; I4-L25 HydrophobicContact CG1-CD1 4.07Å; I4-L25 HydrophobicContact CG2-CD1 3.66Å; I4-L25 HydrophobicContact CG2-CD2 4.16Å; I4-D52 WeakPolarHBondContact CA-O 3.31Å; I4-Y54 HydrophobicContact CD1-CD2 4.09Å; I4-Y54 HydrophobicContact CD1-CE2 3.85Å; I4-Y54 HydrophobicContact CG1-CD2 3.88Å; I4-Y54 HydrophobicContact CG1-CE2 3.85Å; I4-I300 HydrophobicContact CD1-CG2 3.58Å; I4-H304 HydrophobicContact CD1-CB 4.39Å
5K98.2Very high91.9Very high61 Ų6147.7 Ų47.727%0.26525%0.253SS..EExtended strand (participates in β ladder)trans-132135.4172.4-72.5-69.7-178.8174.60110.6F7 E46 E51 D52 V53 Y54K5-F7 HydrophobicContact CB-CE2 3.99Å; K5-E46 WeakPolarHBondContact CD-OE2 3.38Å; K5-E46 VanDerWaalsContact CE-OE2 3.23Å; K5-E46 WeakPolarHBondContact CE-OE2 3.4Å; K5-E46 IonicContact NZ-OE2 3.99Å; K5-E46 PolarHBondContact NZ-OE2 2.91Å; K5-E51 HydrophobicContact CG-CB 4.11Å; K5-E51 HydrophobicContact CG-CG 4.27Å; K5-D52 PolarHBondContact N-O 3.38Å; K5-V53 HydrophobicContact CB-CG2 4.4Å; K5-V53 CarbonylContact O-C 3.49Å; K5-V53 WeakPolarHBondContact O-CA 3.12Å; K5-Y54 PolarHBondContact O-N 3.1Å
6I98.5Very high92.3Very high1 Ų144.8 Ų44.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-119.5125.4179.5-54.7178.8000108.8I4 I19 L23 L25 L27 G28 Y54 V56I4-I6 HydrophobicContact CG1-CG1 4.49Å; I6-I19 HydrophobicContact CD1-CG2 4.28Å; I6-L23 HydrophobicContact CD1-CD1 3.4Å; I6-L23 VanDerWaalsContact CD1-CD1 3.4Å; I6-L25 HydrophobicContact CD1-CD1 3.77Å; I6-L25 HydrophobicContact CG1-CD1 4.13Å; I6-L27 HydrophobicContact CB-CD2 4.31Å; I6-L27 HydrophobicContact CG2-CD2 3.79Å; I6-G28 PolarHBondContact O-N 3.06Å; I6-Y54 CarbonylContact C-O 3.55Å; I6-Y54 WeakPolarHBondContact CA-O 3.49Å; I6-V56 HydrophobicContact CG2-CG2 4.01Å
7F98.6Very high92.7Very high0 Ų046.8 Ų46.80%025%0.245CC..EExtended strand (participates in β ladder)trans-115145.7172-63.8-89.6000109.8K5 G28 V30 I44 E46 V48 V53 Y54 I55 V56 M73K5-F7 HydrophobicContact CB-CE2 3.99Å; F7-G28 WeakPolarHBondContact CD1-O 3.48Å; F7-V30 HydrophobicContact CD1-CB 4.17Å; F7-I44 HydrophobicContact CE1-CG2 3.84Å; F7-I44 HydrophobicContact CZ-CG2 3.79Å; F7-E46 HydrophobicContact CE1-CG 4.21Å; F7-E46 HydrophobicContact CZ-CG 4.06Å; F7-V48 HydrophobicContact CE2-CG1 3.63Å; F7-V48 HydrophobicContact CZ-CG1 3.53Å; F7-V53 HydrophobicContact CD2-CG1 3.7Å; F7-V53 HydrophobicContact CE2-CG1 3.88Å; F7-Y54 PolarHBondContact N-O 3.44Å; F7-I55 WeakPolarHBondContact O-CA 3.29Å; F7-V56 PolarHBondContact O-N 3.06Å; F7-M73 HydrophobicContact CB-CE 3.64Å
8S98Very high93Very high10 Ų1047.8 Ų47.87%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-102.2136.6171.2-171.50000109.7S16S8-S16 VanDerWaalsContact CB-CB 3.42Å; S8-S16 WeakPolarHBondContact CB-OG 3.23Å; S8-S16 WeakPolarHBondContact OG-CB 3.49Å; S8-S16 PolarHBondContact OG-OG 2.96Å
9G95.4Very high93.3Very high0 Ų045.3 Ų45.30%023%0.234CC..  trans-76-173.3155.400000111.6V56G9-V56 PolarHBondContact N-O 2.97Å
10S94.1Very high93.5Very high59 Ų5943 Ų4341%0.41322%0.222SC..SBendtrans-81.6-16.4-179.3640000114.3H12 N66 E69S10-H12 PolarHBondContact O-N 3.22Å; S10-N66 PolarHBondContact OG-OD1 3.45Å; S10-E69 VanDerWaalsContact CB-OE2 3.3Å; S10-E69 WeakPolarHBondContact CB-OE2 3.37Å; S10-E69 PolarHBondContact N-OE2 3.46Å; S10-E69 VanDerWaalsContact OG-CD 3.31Å; S10-E69 PolarHBondContact OG-OE1 3.39Å; S10-E69 PolarHBondContact OG-OE2 3.17Å
11S91.1Very high93.7Very high14 Ų1445.6 Ų45.610%0.09824%0.237CC..SBendtrans-64.8-35.9-172.8650000114.6Q57 S58 P276S11-Q57 PolarHBondContact OG-OE1 3.45Å; S11-S58 WeakPolarHBondContact CB-O 3.18Å; S11-S58 PolarHBondContact OG-N 3.49Å; S11-S58 PolarHBondContact OG-O 2.88Å; S11-P276 WeakPolarHBondContact O-CG 3.49Å
12H90.7Very high95.5Very high7 Ų742.1 Ų42.13%0.03221%0.213CC..  trans-159.269.8-173.4-160.7-8.9000113.5S10 D14 L15 S16 N273 P276S10-H12 PolarHBondContact O-N 3.22Å; H12-D14 VanDerWaalsContact C-N 3.32Å; H12-D14 IonicContact CE1-OD2 3.77Å; H12-D14 PolarHBondContact O-N 2.89Å; H12-L15 HydrophobicContact CB-CB 4.32Å; H12-L15 PolarHBondContact ND1-N 2.75Å; H12-L15 PolarHBondContact O-N 2.88Å; H12-S16 PolarHBondContact O-N 3.12Å; H12-S16 PolarHBondContact O-OG 3.38Å; H12-N273 PolarHBondContact CD2-O 2.83Å; H12-N273 PolarHBondContact NE2-O 2.9Å; H12-N273 VanDerWaalsContact NE2-O 3.07Å; H12-P276 HydrophobicContact CB-CG 4.01Å; H12-P276 VanDerWaalsContact CD2-CD 3.44Å; H12-P276 WeakPolarHBondContact CD2-CD 3.44Å
13Q92.1Very high96.5Very high122 Ų12241.5 Ų41.557%0.5721%0.207SC*.Hα-helixtrans-60.9-35.5-179.4-67.9-176.2-0.900114.1L15 S16 Q17Q13-L15 PolarHBondContact O-N 2.92Å; Q13-S16 PolarHBondContact O-N 2.66Å; Q13-Q17 WeakPolarHBondContact O-CB 3.27Å; Q13-Q17 PolarHBondContact O-N 2.74Å
14D96.7Very high96.8Very high65 Ų6540 Ų4035%0.34822%0.215SC..Hα-helixtrans-58.6-46.4177.4174.481.4000112.4H12 Q17 K18H12-D14 VanDerWaalsContact C-N 3.32Å; H12-D14 IonicContact CE1-OD2 3.77Å; H12-D14 PolarHBondContact O-N 2.89Å; D14-Q17 PolarHBondContact O-N 3.12Å; D14-K18 WeakPolarHBondContact O-CG 3.46Å; D14-K18 PolarHBondContact O-N 2.92Å; D14-K18 IonicContact OD1-NZ 3.83Å; D14-K18 PolarHBondContact OD1-NZ 3.46Å; D14-K18 VanDerWaalsContact OD2-CE 3.26Å; D14-K18 WeakPolarHBondContact OD2-CE 3.46Å; D14-K18 IonicContact OD2-NZ 3.71Å; D14-K18 PolarHBondContact OD2-NZ 3.04Å
15L97.8Very high96.8Very high0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-65.1-44177.5177.662.8000111.2H12 Q13 Q17 K18 I19 P90 I292 L296H12-L15 HydrophobicContact CB-CB 4.32Å; H12-L15 PolarHBondContact ND1-N 2.75Å; H12-L15 PolarHBondContact O-N 2.88Å; Q13-L15 PolarHBondContact O-N 2.92Å; L15-Q17 VanDerWaalsContact C-N 3.3Å; L15-Q17 PolarHBondContact O-N 2.76Å; L15-K18 PolarHBondContact O-N 2.7Å; L15-I19 HydrophobicContact CD1-CD1 4.16Å; L15-I19 HydrophobicContact CD1-CG1 4.35Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.11Å; L15-I19 PolarHBondContact O-N 3.25Å; L15-P90 HydrophobicContact CD2-CB 4.16Å; L15-P90 HydrophobicContact CD2-CG 3.65Å; L15-I292 HydrophobicContact CD1-CD1 3.55Å; L15-I292 HydrophobicContact CD2-CD1 4.03Å; L15-I292 HydrophobicContact CG-CD1 4.45Å; L15-L296 HydrophobicContact CD1-CD1 4.28Å; L15-L296 HydrophobicContact CD2-CD1 3.98Å; L15-L296 HydrophobicContact CG-CD1 4.4Å
16S97.9Very high96.7Very high1 Ų146.1 Ų46.11%0.00725%0.245CC..Hα-helixtrans-58.8-42.9176.8-55.80000111.8S8 H12 Q13 I19 A20 V56S8-S16 VanDerWaalsContact CB-CB 3.42Å; S8-S16 WeakPolarHBondContact CB-OG 3.23Å; S8-S16 WeakPolarHBondContact OG-CB 3.49Å; S8-S16 PolarHBondContact OG-OG 2.96Å; H12-S16 PolarHBondContact O-N 3.12Å; H12-S16 PolarHBondContact O-OG 3.38Å; Q13-S16 PolarHBondContact O-N 2.66Å; S16-I19 PolarHBondContact O-N 3.37Å; S16-A20 PolarHBondContact O-N 2.93Å; S16-V56 WeakPolarHBondContact OG-CB 3.46Å; S16-V56 WeakPolarHBondContact OG-CG1 3.45Å
17Q98.2Very high96.7Very high78 Ų7848 Ų4836%0.36426%0.256SS..Hα-helixtrans-65.1-46.7177.6-171.261.454.600111.1Q13 D14 L15 I19 A20 D21 L27Q13-Q17 WeakPolarHBondContact O-CB 3.27Å; Q13-Q17 PolarHBondContact O-N 2.74Å; D14-Q17 PolarHBondContact O-N 3.12Å; L15-Q17 VanDerWaalsContact C-N 3.3Å; L15-Q17 PolarHBondContact O-N 2.76Å; Q17-I19 VanDerWaalsContact C-N 3.27Å; Q17-I19 PolarHBondContact O-N 3.38Å; Q17-A20 WeakPolarHBondContact O-CB 3.45Å; Q17-A20 PolarHBondContact O-N 3.19Å; Q17-A20 VanDerWaalsContact O-N 3.08Å; Q17-D21 PolarHBondContact NE2-OD1 2.76Å; Q17-D21 PolarHBondContact O-N 2.79Å; Q17-L27 HydrophobicContact CB-CD1 4.39Å
18K98.5Very high96.7Very high65 Ų6548.4 Ų48.428%0.28326%0.259SS..Hα-helixtrans-58.6-38.2176-74.1171.5178.1160.50112.7D14 L15 R22D14-K18 WeakPolarHBondContact O-CG 3.46Å; D14-K18 PolarHBondContact O-N 2.92Å; D14-K18 IonicContact OD1-NZ 3.83Å; D14-K18 PolarHBondContact OD1-NZ 3.46Å; D14-K18 VanDerWaalsContact OD2-CE 3.26Å; D14-K18 WeakPolarHBondContact OD2-CE 3.46Å; D14-K18 IonicContact OD2-NZ 3.71Å; D14-K18 PolarHBondContact OD2-NZ 3.04Å; L15-K18 PolarHBondContact O-N 2.7Å; K18-R22 WeakPolarHBondContact O-CB 3.46Å; K18-R22 VanDerWaalsContact O-CG 3.23Å; K18-R22 WeakPolarHBondContact O-CG 3.41Å; K18-R22 PolarHBondContact O-N 3.19Å; K18-R22 VanDerWaalsContact O-N 3.16Å
19I98.6Very high96.6Very high0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-64.8-46.5174.9-69.3164.6000110.4I6 L15 S16 Q17 R22 L23 V56 L296 A297 I300I6-I19 HydrophobicContact CD1-CG2 4.28Å; L15-I19 HydrophobicContact CD1-CD1 4.16Å; L15-I19 HydrophobicContact CD1-CG1 4.35Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.11Å; L15-I19 PolarHBondContact O-N 3.25Å; S16-I19 PolarHBondContact O-N 3.37Å; Q17-I19 VanDerWaalsContact C-N 3.27Å; Q17-I19 PolarHBondContact O-N 3.38Å; I19-R22 PolarHBondContact O-N 2.86Å; I19-L23 HydrophobicContact CG2-CD1 4.07Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.21Å; I19-V56 HydrophobicContact CD1-CG1 4.15Å; I19-V56 HydrophobicContact CD1-CG2 4.29Å; I19-L296 HydrophobicContact CD1-CB 3.78Å; I19-L296 HydrophobicContact CD1-CD1 3.71Å; I19-L296 HydrophobicContact CD1-CG 4.42Å; I19-L296 HydrophobicContact CG1-CB 4.03Å; I19-A297 HydrophobicContact CG2-CB 4.32Å; I19-I300 HydrophobicContact CG2-CD1 3.59Å
20A98.3Very high96.7Very high0 Ų056.5 Ų56.50%030%0.296CS..Hα-helixtrans-62.3-45.7179.300000111.7S16 Q17 R22 L23 G24 L25 L27S16-A20 PolarHBondContact O-N 2.93Å; Q17-A20 WeakPolarHBondContact O-CB 3.45Å; Q17-A20 PolarHBondContact O-N 3.19Å; Q17-A20 VanDerWaalsContact O-N 3.08Å; A20-R22 VanDerWaalsContact C-N 3.33Å; A20-R22 PolarHBondContact O-N 2.86Å; A20-L23 CarbonylContact O-C 3.5Å; A20-L23 PolarHBondContact O-N 3.32Å; A20-G24 PolarHBondContact O-N 2.8Å; A20-L25 CarbonylContact C-O 3.57Å; A20-L25 VanDerWaalsContact C-O 3.32Å; A20-L25 WeakPolarHBondContact CB-O 3.45Å; A20-L25 PolarHBondContact O-N 2.86Å; A20-L27 HydrophobicContact CB-CD2 3.88Å; A20-L27 HydrophobicContact CB-CG 4.08Å
21D98.3Very high96.8Very high98 Ų9857.2 Ų57.252%0.52430%0.298SS..Hα-helixtrans-57.7-44.4177.6-65.4-18.5000111.5Q17 L23 G24Q17-D21 PolarHBondContact NE2-OD1 2.76Å; Q17-D21 PolarHBondContact O-N 2.79Å; D21-L23 PolarHBondContact O-N 2.93Å; D21-G24 PolarHBondContact O-N 3.03Å
22R98.1Very high97Very high114 Ų11458.5 Ų58.543%0.4331%0.305SS..Hα-helixtrans-66.6-24.4178.1-72.7179.6-175.1-74.41113.6K18 I19 A20 D291 S293 M294 A297K18-R22 WeakPolarHBondContact O-CB 3.46Å; K18-R22 VanDerWaalsContact O-CG 3.23Å; K18-R22 WeakPolarHBondContact O-CG 3.41Å; K18-R22 PolarHBondContact O-N 3.19Å; K18-R22 VanDerWaalsContact O-N 3.16Å; I19-R22 PolarHBondContact O-N 2.86Å; A20-R22 VanDerWaalsContact C-N 3.33Å; A20-R22 PolarHBondContact O-N 2.86Å; R22-D291 IonicContact CZ-OD2 3.85Å; R22-D291 IonicContact NH2-OD2 2.69Å; R22-D291 PolarHBondContact NH2-OD2 3.17Å; R22-S293 PolarHBondContact NE-OG 2.89Å; R22-M294 HydrophobicContact CG-SD 4.45Å; R22-M294 PolarHBondContact NH1-SD 3.04Å; R22-A297 HydrophobicContact CB-CB 3.78Å
23L97.7Very high97.1Very high39 Ų3962.7 Ų62.720%0.20432%0.324CS..Hα-helixtrans-91.6-2.9175-68.3170.9000112.7I6 I19 A20 D21 L25 A297 I300 R301I6-L23 HydrophobicContact CD1-CD1 3.4Å; I6-L23 VanDerWaalsContact CD1-CD1 3.4Å; I19-L23 HydrophobicContact CG2-CD1 4.07Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.21Å; A20-L23 CarbonylContact O-C 3.5Å; A20-L23 PolarHBondContact O-N 3.32Å; D21-L23 PolarHBondContact O-N 2.93Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 HydrophobicContact CB-CD1 3.89Å; L23-L25 HydrophobicContact CB-CG 4.04Å; L23-A297 HydrophobicContact CD1-CB 4.37Å; L23-A297 HydrophobicContact CD2-CB 4.29Å; L23-A297 HydrophobicContact CG-CB 4Å; L23-I300 HydrophobicContact CD1-CB 4.19Å; L23-I300 HydrophobicContact CD1-CG2 3.71Å; L23-R301 HydrophobicContact CD2-CB 3.86Å; L23-R301 HydrophobicContact CD2-CG 4.32Å
24G97.7Very high97.3Very high71 Ų7161.3 Ų61.373%0.73232%0.315SS*.THydrogen-bonded Turntrans66.532.4-175.100000112.8A20 D21A20-G24 PolarHBondContact O-N 2.8Å; D21-G24 PolarHBondContact O-N 3.03Å
25L97.8Very high97.3Very high49 Ų4962.6 Ų62.626%0.25732%0.318SS..  trans-118.7154.2-177.5-60.9173.3000110.7I4 I6 A20 L23I4-L25 HydrophobicContact CB-CD1 4.47Å; I4-L25 HydrophobicContact CD1-CD1 4.19Å; I4-L25 HydrophobicContact CG1-CD1 4.07Å; I4-L25 HydrophobicContact CG2-CD1 3.66Å; I4-L25 HydrophobicContact CG2-CD2 4.16Å; I6-L25 HydrophobicContact CD1-CD1 3.77Å; I6-L25 HydrophobicContact CG1-CD1 4.13Å; A20-L25 CarbonylContact C-O 3.57Å; A20-L25 VanDerWaalsContact C-O 3.32Å; A20-L25 WeakPolarHBondContact CB-O 3.45Å; A20-L25 PolarHBondContact O-N 2.86Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 HydrophobicContact CB-CD1 3.89Å; L23-L25 HydrophobicContact CB-CG 4.04Å
26E97.8Very high97.2Very high175 Ų17568.6 Ų68.682%0.81836%0.36SS*.PPolyproline II helixtrans-90.3150162.5-65.5-178.3176.100109.6G28E26-G28 PolarHBondContact O-N 3.17Å
27L98.2Very high97.1Very high42 Ų4273.1 Ų73.122%0.2238%0.384CS..PPolyproline II helixtrans-64.1134.5169.2-70.1176.7000109.9I6 Q17 A20I6-L27 HydrophobicContact CB-CD2 4.31Å; I6-L27 HydrophobicContact CG2-CD2 3.79Å; Q17-L27 HydrophobicContact CB-CD1 4.39Å; A20-L27 HydrophobicContact CB-CD2 3.88Å; A20-L27 HydrophobicContact CB-CG 4.08Å
28G97.5Very high97Very high7 Ų775.1 Ų75.17%0.07239%0.394CS..PPolyproline II helixtrans-61.1144.9175.100000111.3I6 F7 E26 V30 E46I6-G28 PolarHBondContact O-N 3.06Å; F7-G28 WeakPolarHBondContact CD1-O 3.48Å; E26-G28 PolarHBondContact O-N 3.17Å; G28-V30 PolarHBondContact O-N 3.44Å; G28-E46 VanDerWaalsContact CA-OE1 3.25Å; G28-E46 WeakPolarHBondContact CA-OE1 3.49Å
29K97.3Very high97Very high143 Ų14377.4 Ų77.462%0.62241%0.405SS*.PPolyproline II helixtrans-68.4119.5-178.5-63.8175.6-174.3175.70109.6G45 E46K29-G45 WeakPolarHBondContact O-CA 3.5Å; K29-G45 PolarHBondContact O-N 2.77Å; K29-E46 PolarHBondContact N-OE1 3.22Å
30V97.3Very high97Very high37 Ų3778.6 Ų78.622%0.22441%0.413CS..EExtended strand (participates in β ladder)trans-136.2136.7172.861.50000109.3F7 G28 T32 V42 E43 I44 M73F7-V30 HydrophobicContact CD1-CB 4.17Å; G28-V30 PolarHBondContact O-N 3.44Å; V30-T32 HydrophobicContact CG1-CG2 4.23Å; V30-T32 HydrophobicContact CG2-CG2 3.67Å; V30-V42 HydrophobicContact CG2-CG1 3.9Å; V30-E43 WeakPolarHBondContact CA-O 3.45Å; V30-I44 HydrophobicContact CG2-CD1 4.2Å; V30-M73 HydrophobicContact CG1-CE 4.5Å; V30-M73 HydrophobicContact CG2-CE 4.24Å
31V96.1Very high96.9Very high74 Ų7479.4 Ų79.445%0.44842%0.418SS..EExtended strand (participates in β ladder)trans-100104.5169-178.80000107.3V42 E43V31-V42 CarbonylContact O-C 3.56Å; V31-V42 WeakPolarHBondContact O-CA 3.38Å; V31-E43 HydrophobicContact CB-CB 4.3Å; V31-E43 PolarHBondContact N-O 3.36Å; V31-E43 PolarHBondContact O-N 3.27Å
32T94.1Very high96.9Very high42 Ų4275.7 Ų75.726%0.25840%0.399SS..EExtended strand (participates in β ladder)trans-107.6122.9173.555.50000109.4V30 C41 V42 E69V30-T32 HydrophobicContact CG1-CG2 4.23Å; V30-T32 HydrophobicContact CG2-CG2 3.67Å; T32-C41 WeakPolarHBondContact CA-O 3.23Å; T32-V42 HydrophobicContact CG2-CG2 4.37Å; T32-E69 WeakPolarHBondContact CB-OE1 3.45Å
33K94.4Very high96.9Very high95 Ų9575.4 Ų75.441%0.41340%0.402SS..EExtended strand (participates in β ladder)trans-145.3160.8176.567.7-172.1175.6-163.80111C41K33-C41 VanDerWaalsContact CE-SG 3.55Å; K33-C41 HydrophobicContact CG-CB 3.83Å; K33-C41 PolarHBondContact N-O 2.77Å; K33-C41 PolarHBondContact O-N 2.98Å
34K95.3Very high97Very high92 Ų9275.4 Ų75.440%0.440%0.402SS..EExtended strand (participates in β ladder)trans-102.1135166.3-74-165.2177.5-171.90111E39 D65K34-E39 CarbonylContact C-O 3.58Å; K34-E39 WeakPolarHBondContact CA-O 3.31Å; K34-D65 IonicContact NZ-OD1 3.71Å; K34-D65 IonicContact NZ-OD2 3.82Å; K34-D65 PolarHBondContact NZ-OD2 2.82Å
35F95.9Very high96.9Very high92 Ų9274.4 Ų74.440%0.40439%0.392SS..  trans-71.1164.5166.5-66.1-48.7000110.8N37 Q38 E39 C41F35-N37 VanDerWaalsContact CB-OD1 3.31Å; F35-N37 WeakPolarHBondContact CB-OD1 3.41Å; F35-N37 PolarHBondContact O-N 3.16Å; F35-N37 VanDerWaalsContact O-N 3.12Å; F35-Q38 PolarHBondContact O-N 3.36Å; F35-E39 HydrophobicContact CB-CB 4.43Å; F35-E39 HydrophobicContact CD2-CB 3.97Å; F35-E39 PolarHBondContact N-O 3.44Å; F35-C41 HydrophobicContact CD2-CB 4.2Å; F35-C41 HydrophobicContact CE1-CB 4.11Å; F35-C41 HydrophobicContact CE2-CB 3.62Å; F35-C41 HydrophobicContact CZ-CB 3.56Å; F35-C41 VanDerWaalsContact CZ-SG 3.58Å
36S96.2Very high96.9Very high126 Ų12674.4 Ų74.488%0.88139%0.391SS*.THydrogen-bonded Turntrans-57.4-29.6-178.1-171.40000113.1Q38S36-Q38 VanDerWaalsContact C-N 3.28Å; S36-Q38 PolarHBondContact O-N 3.39Å
37N96.4Very high96.9Very high97 Ų9770.3 Ų70.352%0.51938%0.381SS..THydrogen-bonded Turntrans-86.914.2176.571.5-27.1000114.2F35 E39F35-N37 VanDerWaalsContact CB-OD1 3.31Å; F35-N37 WeakPolarHBondContact CB-OD1 3.41Å; F35-N37 PolarHBondContact O-N 3.16Å; F35-N37 VanDerWaalsContact O-N 3.12Å; N37-E39 VanDerWaalsContact C-N 3.28Å; N37-E39 VanDerWaalsContact ND2-CD 3.27Å; N37-E39 PolarHBondContact ND2-OE1 2.79Å; N37-E39 PolarHBondContact O-N 2.83Å; N37-E39 PolarHBondContact OD1-N 3.46Å
38Q96Very high96.9Very high119 Ų11968.4 Ų68.456%0.55637%0.371SS*.SBendtrans73.72.3179.3-47.4-57.8-30.400116.5F35 S36F35-Q38 PolarHBondContact O-N 3.36Å; S36-Q38 VanDerWaalsContact C-N 3.28Å; S36-Q38 PolarHBondContact O-N 3.39Å
39E98.1Very high96.9Very high113 Ų11376 Ų7653%0.52840%0.398SS..  trans-64.2137.9171.1-76.5176.3-154.700111.3K34 F35 N37K34-E39 CarbonylContact C-O 3.58Å; K34-E39 WeakPolarHBondContact CA-O 3.31Å; F35-E39 HydrophobicContact CB-CB 4.43Å; F35-E39 HydrophobicContact CD2-CB 3.97Å; F35-E39 PolarHBondContact N-O 3.44Å; N37-E39 VanDerWaalsContact C-N 3.28Å; N37-E39 VanDerWaalsContact ND2-CD 3.27Å; N37-E39 PolarHBondContact ND2-OE1 2.79Å; N37-E39 PolarHBondContact O-N 2.83Å; N37-E39 PolarHBondContact OD1-N 3.46Å
40T97.9Very high97Very high25 Ų2571 Ų7115%0.15339%0.386CS..EExtended strand (participates in β ladder)trans-86.2129.3177.8-57.80000109.7V42 E69 I72T40-V42 HydrophobicContact CG2-CG2 4.19Å; T40-E69 HydrophobicContact CG2-CB 3.88Å; T40-E69 HydrophobicContact CG2-CG 3.94Å; T40-I72 HydrophobicContact CG2-CD1 4.2Å
41C97.8Very high97Very high18 Ų1870.7 Ų70.712%0.12238%0.383CS..EExtended strand (participates in β ladder)trans-116.1129.1177.2178.30000109.2T32 K33 F35T32-C41 WeakPolarHBondContact CA-O 3.23Å; K33-C41 VanDerWaalsContact CE-SG 3.55Å; K33-C41 HydrophobicContact CG-CB 3.83Å; K33-C41 PolarHBondContact N-O 2.77Å; K33-C41 PolarHBondContact O-N 2.98Å; F35-C41 HydrophobicContact CD2-CB 4.2Å; F35-C41 HydrophobicContact CE1-CB 4.11Å; F35-C41 HydrophobicContact CE2-CB 3.62Å; F35-C41 HydrophobicContact CZ-CB 3.56Å; F35-C41 VanDerWaalsContact CZ-SG 3.58Å
42V98.2Very high97.1Very high19 Ų1967.3 Ų67.312%0.11536%0.362CS..EExtended strand (participates in β ladder)trans-130.3129.7-179176.20000108.5V30 V31 T32 T40 I44 E69 I72 M73V30-V42 HydrophobicContact CG2-CG1 3.9Å; V31-V42 CarbonylContact O-C 3.56Å; V31-V42 WeakPolarHBondContact O-CA 3.38Å; T32-V42 HydrophobicContact CG2-CG2 4.37Å; T40-V42 HydrophobicContact CG2-CG2 4.19Å; V42-I44 HydrophobicContact CG1-CD1 4.27Å; V42-E69 HydrophobicContact CG2-CG 4.23Å; V42-I72 HydrophobicContact CB-CG2 3.73Å; V42-I72 HydrophobicContact CG2-CB 4.19Å; V42-I72 HydrophobicContact CG2-CG2 3.71Å; V42-M73 HydrophobicContact CB-CG 4.45Å; V42-M73 HydrophobicContact CG1-CB 4.49Å; V42-M73 HydrophobicContact CG1-CG 3.59Å; V42-M73 HydrophobicContact CG2-CG 4.05Å
43E98Very high97.4Very high108 Ų10865.3 Ų65.351%0.50535%0.35SS..EExtended strand (participates in β ladder)trans-129.1119.4170.7-64.9171-160.800109.3V30 V31 G45V30-E43 WeakPolarHBondContact CA-O 3.45Å; V31-E43 HydrophobicContact CB-CB 4.3Å; V31-E43 PolarHBondContact N-O 3.36Å; V31-E43 PolarHBondContact O-N 3.27Å; E43-G45 PolarHBondContact O-N 3.33Å
44I98.4Very high97.6Very high39 Ų3960.8 Ų60.820%0.233%0.33CS..EExtended strand (participates in β ladder)trans-74.6114.7174.1-51.5-60000107.9F7 V30 V42 E46 V48 A76F7-I44 HydrophobicContact CE1-CG2 3.84Å; F7-I44 HydrophobicContact CZ-CG2 3.79Å; V30-I44 HydrophobicContact CG2-CD1 4.2Å; V42-I44 HydrophobicContact CG1-CD1 4.27Å; I44-E46 VanDerWaalsContact C-N 3.28Å; I44-E46 WeakPolarHBondContact CG2-O 3.25Å; I44-E46 PolarHBondContact O-N 2.8Å; I44-V48 HydrophobicContact CG2-CG1 3.9Å; I44-A76 HydrophobicContact CG1-CB 4.01Å
45G97.3Very high97.7Very high50 Ų5056.4 Ų56.452%0.51531%0.311SS..  trans-84.37.5-171.700000115K29 E43K29-G45 WeakPolarHBondContact O-CA 3.5Å; K29-G45 PolarHBondContact O-N 2.77Å; E43-G45 PolarHBondContact O-N 3.33Å
46E97.1Very high97.9Very high49 Ų4952.1 Ų52.123%0.22929%0.293CS..SBendtrans-149162.5178.461.9-176.383.600111.9K5 F7 G28 K29 I44 V48K5-E46 WeakPolarHBondContact CD-OE2 3.38Å; K5-E46 VanDerWaalsContact CE-OE2 3.23Å; K5-E46 WeakPolarHBondContact CE-OE2 3.4Å; K5-E46 IonicContact NZ-OE2 3.99Å; K5-E46 PolarHBondContact NZ-OE2 2.91Å; F7-E46 HydrophobicContact CE1-CG 4.21Å; F7-E46 HydrophobicContact CZ-CG 4.06Å; G28-E46 VanDerWaalsContact CA-OE1 3.25Å; G28-E46 WeakPolarHBondContact CA-OE1 3.49Å; K29-E46 PolarHBondContact N-OE1 3.22Å; I44-E46 VanDerWaalsContact C-N 3.28Å; I44-E46 WeakPolarHBondContact CG2-O 3.25Å; I44-E46 PolarHBondContact O-N 2.8Å; E46-V48 PolarHBondContact O-N 3.31Å
47S97.6Very high97.9Very high89 Ų8946.3 Ų46.362%0.62225%0.251SS*.  trans-71.3129.3178.41760000110.9R49S47-R49 PolarHBondContact OG-N 2.99Å
48V98.5Very high97.7Very high2 Ų241.8 Ų41.81%0.01223%0.228CC..  trans-110.66.8171.9-63.80000112.7F7 I44 E46 G50 E51 V53 A80 A82F7-V48 HydrophobicContact CE2-CG1 3.63Å; F7-V48 HydrophobicContact CZ-CG1 3.53Å; I44-V48 HydrophobicContact CG2-CG1 3.9Å; E46-V48 PolarHBondContact O-N 3.31Å; V48-G50 PolarHBondContact O-N 3.48Å; V48-E51 WeakPolarHBondContact O-CB 3.41Å; V48-E51 PolarHBondContact O-N 3.02Å; V48-V53 HydrophobicContact CB-CG2 3.98Å; V48-V53 HydrophobicContact CG1-CG2 4.15Å; V48-A80 HydrophobicContact CG2-CB 3.59Å; V48-A82 HydrophobicContact CG2-CB 4.4Å; V48-A82 VanDerWaalsContact O-CA 3.31Å; V48-A82 WeakPolarHBondContact O-CA 3.49Å
49R98.3Very high96.9Very high167 Ų16736.8 Ų36.863%0.6321%0.208SC*.THydrogen-bonded Turntrans-59.1119.9-176.9178.2179.2-62.3-71.2-6.3110.9S47 E51 S81S47-R49 PolarHBondContact OG-N 2.99Å; R49-E51 PolarHBondContact O-N 3.42Å; R49-S81 WeakPolarHBondContact CA-O 3.38Å; R49-S81 VanDerWaalsContact NH1-CB 3.26Å; R49-S81 PolarHBondContact NH1-OG 3.22Å
50G97.7Very high96.3Very high37 Ų3732 Ų3238%0.38119%0.186SC..THydrogen-bonded Turntrans73.67179.500000114.6P2 V48 S81 S83P2-G50 WeakPolarHBondContact CB-O 3.33Å; V48-G50 PolarHBondContact O-N 3.48Å; G50-S81 PolarHBondContact N-O 3.26Å; G50-S83 WeakPolarHBondContact O-CB 3.24Å
51E98.4Very high95.8Very high32 Ų3234.3 Ų34.315%0.1522%0.216CC..  trans-90.9157.1-179.8-53.2-65.1-158.500112.1N3 K5 V48 R49 V53 S83 R84N3-E51 VanDerWaalsContact CA-OE2 3.29Å; N3-E51 WeakPolarHBondContact CA-OE2 3.16Å; N3-E51 WeakPolarHBondContact CB-OE2 3.47Å; N3-E51 PolarHBondContact N-OE2 2.83Å; N3-E51 PolarHBondContact ND2-OE1 2.96Å; N3-E51 PolarHBondContact ND2-OE2 3.31Å; K5-E51 HydrophobicContact CG-CB 4.11Å; K5-E51 HydrophobicContact CG-CG 4.27Å; V48-E51 WeakPolarHBondContact O-CB 3.41Å; V48-E51 PolarHBondContact O-N 3.02Å; R49-E51 PolarHBondContact O-N 3.42Å; E51-V53 HydrophobicContact CB-CG2 4.37Å; E51-S83 WeakPolarHBondContact O-CB 3.29Å; E51-S83 PolarHBondContact O-N 3.42Å; E51-R84 PolarHBondContact O-N 3.26Å
52D98.6Very high95.7Very high3 Ų340 Ų402%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-93.8102.7173.3-172.123.3000109.3P2 N3 I4 K5 Y54 R84 H304P2-D52 HydrophobicContact CB-CB 4.29Å; P2-D52 HydrophobicContact CG-CB 4.08Å; N3-D52 PolarHBondContact O-N 2.91Å; I4-D52 WeakPolarHBondContact CA-O 3.31Å; K5-D52 PolarHBondContact N-O 3.38Å; D52-Y54 HydrophobicContact CB-CE2 4.49Å; D52-Y54 PolarHBondContact OD2-OH 2.74Å; D52-R84 WeakPolarHBondContact OD1-CB 3.37Å; D52-R84 IonicContact OD1-CZ 3.57Å; D52-R84 IonicContact OD1-NE 3.12Å; D52-R84 PolarHBondContact OD1-NE 3.14Å; D52-R84 IonicContact OD1-NH2 3.34Å; D52-R84 PolarHBondContact OD1-NH2 3.1Å; D52-R84 IonicContact OD2-CZ 2.76Å; D52-R84 IonicContact OD2-NE 3.51Å; D52-R84 IonicContact OD2-NH2 2.7Å; D52-R84 PolarHBondContact OD2-NH2 3.19Å; D52-H304 IonicContact OD2-CE1 2.75Å; D52-H304 IonicContact OD2-CG 2.88Å; D52-H304 IonicContact OD2-ND1 3.55Å; D52-H304 PolarHBondContact OD2-ND1 3.27Å
53V98.8Very high95.6Very high0 Ų041.4 Ų41.40%025%0.247CC..EExtended strand (participates in β ladder)trans-100.2132.6-166.3178.70000110.8K5 F7 V48 E51 I55 C77 A82 R84 V85 T86K5-V53 HydrophobicContact CB-CG2 4.4Å; K5-V53 CarbonylContact O-C 3.49Å; K5-V53 WeakPolarHBondContact O-CA 3.12Å; F7-V53 HydrophobicContact CD2-CG1 3.7Å; F7-V53 HydrophobicContact CE2-CG1 3.88Å; V48-V53 HydrophobicContact CB-CG2 3.98Å; V48-V53 HydrophobicContact CG1-CG2 4.15Å; E51-V53 HydrophobicContact CB-CG2 4.37Å; V53-I55 HydrophobicContact CG1-CG1 4.11Å; V53-C77 HydrophobicContact CG1-CB 4.4Å; V53-A82 HydrophobicContact CG2-CB 3.85Å; V53-R84 PolarHBondContact N-O 2.97Å; V53-V85 WeakPolarHBondContact O-CA 3.29Å; V53-T86 PolarHBondContact O-N 2.82Å
54Y98.8Very high95.6Very high0 Ų040.2 Ų40.20%024%0.244CC..EExtended strand (participates in β ladder)trans-117.9123.7173.8-64.2-97.9000109.3I4 K5 I6 F7 D52 R84 T86 V88 I125 I300 T303 H304I4-Y54 HydrophobicContact CD1-CD2 4.09Å; I4-Y54 HydrophobicContact CD1-CE2 3.85Å; I4-Y54 HydrophobicContact CG1-CD2 3.88Å; I4-Y54 HydrophobicContact CG1-CE2 3.85Å; K5-Y54 PolarHBondContact O-N 3.1Å; I6-Y54 CarbonylContact C-O 3.55Å; I6-Y54 WeakPolarHBondContact CA-O 3.49Å; F7-Y54 PolarHBondContact N-O 3.44Å; D52-Y54 HydrophobicContact CB-CE2 4.49Å; D52-Y54 PolarHBondContact OD2-OH 2.74Å; Y54-R84 PolarHBondContact OH-NH2 2.9Å; Y54-T86 WeakPolarHBondContact CA-O 3.27Å; Y54-T86 HydrophobicContact CD1-CG2 3.72Å; Y54-T86 HydrophobicContact CE1-CG2 3.82Å; Y54-V88 HydrophobicContact CD1-CG2 4.01Å; Y54-I125 HydrophobicContact CE1-CD1 4.23Å; Y54-I300 HydrophobicContact CD1-CB 4.28Å; Y54-I300 HydrophobicContact CD1-CD1 4.47Å; Y54-I300 HydrophobicContact CD1-CG1 3.79Å; Y54-I300 HydrophobicContact CD1-CG2 3.83Å; Y54-I300 HydrophobicContact CD2-CG2 4.07Å; Y54-I300 HydrophobicContact CE1-CB 4.19Å; Y54-I300 HydrophobicContact CE1-CG1 4.08Å; Y54-I300 HydrophobicContact CE1-CG2 3.8Å; Y54-I300 HydrophobicContact CE2-CG2 4.06Å; Y54-I300 HydrophobicContact CG-CG1 4.45Å; Y54-I300 HydrophobicContact CG-CG2 3.95Å; Y54-I300 PolarHBondContact OH-O 3.46Å; Y54-T303 HydrophobicContact CE1-CG2 4.24Å; Y54-H304 WeakPolarHBondContact OH-CA 3.42Å; Y54-H304 PolarHBondContact OH-N 3.45Å
55I98.8Very high95.6Very high0 Ų040.6 Ų40.60%025%0.247CC..EExtended strand (participates in β ladder)trans-110.6114.8177.6-57.6163000108.3F7 V53 L70 M73 I74 V85 T86 V88F7-I55 WeakPolarHBondContact O-CA 3.29Å; V53-I55 HydrophobicContact CG1-CG1 4.11Å; I55-L70 HydrophobicContact CB-CD1 4.09Å; I55-L70 HydrophobicContact CG2-CD1 3.57Å; I55-M73 HydrophobicContact CD1-CB 3.9Å; I55-M73 HydrophobicContact CG2-CB 4.19Å; I55-M73 HydrophobicContact CG2-CE 3.8Å; I55-M73 HydrophobicContact CG2-SD 3.93Å; I55-I74 HydrophobicContact CD1-CB 4.32Å; I55-I74 HydrophobicContact CD1-CG1 3.71Å; I55-V85 HydrophobicContact CD1-CG1 3.8Å; I55-T86 PolarHBondContact N-O 2.83Å; I55-V88 PolarHBondContact O-N 2.71Å
56V98.6Very high95.6Very high2 Ų238.9 Ų38.91%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-92.2115.4179.8-173.60000109.5I6 F7 G9 S16 I19 V88I6-V56 HydrophobicContact CG2-CG2 4.01Å; F7-V56 PolarHBondContact O-N 3.06Å; G9-V56 PolarHBondContact N-O 2.97Å; S16-V56 WeakPolarHBondContact OG-CB 3.46Å; S16-V56 WeakPolarHBondContact OG-CG1 3.45Å; I19-V56 HydrophobicContact CD1-CG1 4.15Å; I19-V56 HydrophobicContact CD1-CG2 4.29Å; V56-V88 WeakPolarHBondContact CA-O 3.39Å; V56-V88 HydrophobicContact CG2-CB 4.11Å; V56-V88 HydrophobicContact CG2-CG1 4.4Å
57Q96.3Very high95.7Very high3 Ų337.2 Ų37.21%0.01422%0.218CC..  trans-151.2124.7175.7-173.589.3-71.500110.6S11 N66 E69 L70 V88 I89S11-Q57 PolarHBondContact OG-OE1 3.45Å; Q57-N66 HydrophobicContact CG-CB 4.4Å; Q57-N66 PolarHBondContact NE2-O 2.9Å; Q57-N66 VanDerWaalsContact NE2-O 3.09Å; Q57-E69 PolarHBondContact NE2-OE2 3.45Å; Q57-L70 HydrophobicContact CB-CB 4.12Å; Q57-L70 HydrophobicContact CB-CD1 3.99Å; Q57-L70 HydrophobicContact CB-CD2 4.22Å; Q57-L70 HydrophobicContact CB-CG 4.33Å; Q57-L70 HydrophobicContact CG-CB 4.04Å; Q57-V88 PolarHBondContact N-O 3.08Å; Q57-I89 WeakPolarHBondContact O-CA 3.24Å; Q57-I89 WeakPolarHBondContact O-CG2 3.44Å
58S91.9Very high95.7Very high3 Ų337.4 Ų37.42%0.02121%0.21CC..  trans-94.8148.2176.1-164.10000112.2S11 C60 C91 T274S11-S58 WeakPolarHBondContact CB-O 3.18Å; S11-S58 PolarHBondContact OG-N 3.49Å; S11-S58 PolarHBondContact OG-O 2.88Å; S58-C60 PolarHBondContact O-N 3.27Å; S58-C91 WeakPolarHBondContact OG-CB 3.38Å; S58-C91 PolarHBondContact OG-N 2.96Å; S58-T274 WeakPolarHBondContact CB-O 3.33Å; S58-T274 PolarHBondContact OG-O 3.03Å
59G81Confident95.7Very high13 Ų1337.8 Ų37.813%0.13421%0.212CC..SBendtrans-78.856.7175.400000113.4C91G59-C91 WeakPolarHBondContact CA-O 3.42Å; G59-C91 PolarHBondContact N-O 2.84Å
60C83.9Confident95.7Very high12 Ų1230 Ų308%0.08118%0.183CC..  trans-121.9175-178.761.10000113.1S58 E62 N66 I275S58-C60 PolarHBondContact O-N 3.27Å; C60-E62 PolarHBondContact O-N 2.94Å; C60-N66 PolarHBondContact O-ND2 3.48Å; C60-I275 HydrophobicContact CB-CB 4.18Å; C60-I275 HydrophobicContact CB-CD1 3.94Å; C60-I275 HydrophobicContact CB-CG1 3.8Å; C60-I275 HydrophobicContact CB-CG2 3.61Å
61G88.6Confident95.8Very high75 Ų7529.1 Ų29.177%0.77317%0.169SC*.SBendtrans60.2-130.8179.500000112.7I63G61-I63 VanDerWaalsContact C-N 3.28Å; G61-I63 PolarHBondContact O-N 3.43Å
62E94.7Very high95.8Very high137 Ų13730 Ų3064%0.6417%0.174SC*.SBendtrans-73.783.4169.9-67.3-59158.700110.2C60 N64 D65 N66C60-E62 PolarHBondContact O-N 2.94Å; E62-N64 PolarHBondContact O-N 3.32Å; E62-N64 VanDerWaalsContact O-N 3.13Å; E62-D65 HydrophobicContact CB-CB 4.11Å; E62-D65 WeakPolarHBondContact CB-OD2 3.48Å; E62-D65 PolarHBondContact O-N 2.98Å; E62-D65 VanDerWaalsContact O-N 3.09Å; E62-N66 PolarHBondContact O-N 2.85Å
63I96.9Very high95.8Very high48 Ų4829.8 Ų29.825%0.24617%0.173CC..Hα-helixtrans-54.8-35.9-169.3-167.9172.3000113.8G61 L67 P93 Y94G61-I63 VanDerWaalsContact C-N 3.28Å; G61-I63 PolarHBondContact O-N 3.43Å; I63-L67 VanDerWaalsContact O-CB 3.24Å; I63-L67 WeakPolarHBondContact O-CB 3.24Å; I63-L67 PolarHBondContact O-N 3.23Å; I63-P93 HydrophobicContact CD1-CB 3.72Å; I63-P93 HydrophobicContact CG1-CB 3.77Å; I63-Y94 HydrophobicContact CD1-CD2 4.05Å; I63-Y94 HydrophobicContact CD1-CE2 4.01Å; I63-Y94 HydrophobicContact CG1-CE2 4.19Å; I63-Y94 HydrophobicContact CG2-CE2 4.36Å
64N98Very high95.8Very high83 Ų8329.8 Ų29.844%0.44417%0.173SC..Hα-helixtrans-72.5-40.9-179-68.1-30.7000111.8E62 L67 M68 Y94E62-N64 PolarHBondContact O-N 3.32Å; E62-N64 VanDerWaalsContact O-N 3.13Å; N64-L67 PolarHBondContact O-N 3.46Å; N64-M68 WeakPolarHBondContact O-CB 3.21Å; N64-M68 VanDerWaalsContact O-CG 3.31Å; N64-M68 WeakPolarHBondContact O-CG 3.48Å; N64-M68 PolarHBondContact O-N 3.05Å; N64-Y94 PolarHBondContact OD1-OH 3.43Å
65D97.5Very high95.8Very high48 Ų4833.4 Ų33.426%0.25719%0.193SC..Hα-helixtrans-67.6-44.1179.4-61.9-28.1000110.1K34 E62 L67 M68 E69K34-D65 IonicContact NZ-OD1 3.71Å; K34-D65 IonicContact NZ-OD2 3.82Å; K34-D65 PolarHBondContact NZ-OD2 2.82Å; E62-D65 HydrophobicContact CB-CB 4.11Å; E62-D65 WeakPolarHBondContact CB-OD2 3.48Å; E62-D65 PolarHBondContact O-N 2.98Å; E62-D65 VanDerWaalsContact O-N 3.09Å; D65-L67 VanDerWaalsContact C-N 3.33Å; D65-L67 PolarHBondContact O-N 2.84Å; D65-M68 PolarHBondContact O-N 3.34Å; D65-E69 WeakPolarHBondContact O-CB 3.12Å; D65-E69 PolarHBondContact O-N 3.06Å
66N97.8Very high95.8Very high14 Ų1434.4 Ų34.48%0.07520%0.201CC..Hα-helixtrans-63.8-38.4176.6-73.6-32.9000112.5S10 Q57 C60 E62 L70S10-N66 PolarHBondContact OG-OD1 3.45Å; Q57-N66 HydrophobicContact CG-CB 4.4Å; Q57-N66 PolarHBondContact NE2-O 2.9Å; Q57-N66 VanDerWaalsContact NE2-O 3.09Å; C60-N66 PolarHBondContact O-ND2 3.48Å; E62-N66 PolarHBondContact O-N 2.85Å; N66-L70 WeakPolarHBondContact O-CB 3.26Å; N66-L70 PolarHBondContact O-N 2.91Å; N66-L70 VanDerWaalsContact O-N 3.07Å
67L98.4Very high95.8Very high13 Ų1334.3 Ų34.37%0.06820%0.2CC..Hα-helixtrans-65.4-47.1173.7177.260.6000111.4I63 N64 D65 L70 L71 P93 Y94 V112 M115I63-L67 VanDerWaalsContact O-CB 3.24Å; I63-L67 WeakPolarHBondContact O-CB 3.24Å; I63-L67 PolarHBondContact O-N 3.23Å; N64-L67 PolarHBondContact O-N 3.46Å; D65-L67 VanDerWaalsContact C-N 3.33Å; D65-L67 PolarHBondContact O-N 2.84Å; L67-L70 PolarHBondContact O-N 3.23Å; L67-L71 HydrophobicContact CD1-CD1 4.28Å; L67-L71 HydrophobicContact CD1-CG 4.3Å; L67-L71 HydrophobicContact CG-CD1 4.14Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 2.98Å; L67-P93 HydrophobicContact CD1-CG 4.22Å; L67-Y94 HydrophobicContact CD2-CE2 4.38Å; L67-V112 HydrophobicContact CD1-CG1 4.13Å; L67-V112 HydrophobicContact CD2-CG2 3.94Å; L67-M115 HydrophobicContact CD2-CE 3.77Å
68M98.5Very high95.9Very high94 Ų9437.6 Ų37.646%0.46321%0.214SC..Hα-helixtrans-62.8-43178.4-74.7-56.8-5600111.8N64 D65 L70 L71 I72N64-M68 WeakPolarHBondContact O-CB 3.21Å; N64-M68 VanDerWaalsContact O-CG 3.31Å; N64-M68 WeakPolarHBondContact O-CG 3.48Å; N64-M68 PolarHBondContact O-N 3.05Å; D65-M68 PolarHBondContact O-N 3.34Å; M68-L70 VanDerWaalsContact C-N 3.34Å; M68-L70 PolarHBondContact O-N 3.33Å; M68-L71 PolarHBondContact O-N 2.85Å; M68-L71 HydrophobicContact SD-CD1 4.18Å; M68-I72 WeakPolarHBondContact O-CD1 3.36Å; M68-I72 WeakPolarHBondContact O-CG1 3.26Å; M68-I72 PolarHBondContact O-N 2.8Å
69E98.6Very high96.2Very high10 Ų1043.3 Ų43.35%0.04724%0.244CC..Hα-helixtrans-58-45.7175.1-172.6177.2-11500111.6S10 T32 T40 V42 Q57 D65 L71 I72 M73S10-E69 VanDerWaalsContact CB-OE2 3.3Å; S10-E69 WeakPolarHBondContact CB-OE2 3.37Å; S10-E69 PolarHBondContact N-OE2 3.46Å; S10-E69 VanDerWaalsContact OG-CD 3.31Å; S10-E69 PolarHBondContact OG-OE1 3.39Å; S10-E69 PolarHBondContact OG-OE2 3.17Å; T32-E69 WeakPolarHBondContact CB-OE1 3.45Å; T40-E69 HydrophobicContact CG2-CB 3.88Å; T40-E69 HydrophobicContact CG2-CG 3.94Å; V42-E69 HydrophobicContact CG2-CG 4.23Å; Q57-E69 PolarHBondContact NE2-OE2 3.45Å; D65-E69 WeakPolarHBondContact O-CB 3.12Å; D65-E69 PolarHBondContact O-N 3.06Å; E69-L71 PolarHBondContact O-N 2.8Å; E69-I72 PolarHBondContact O-N 2.71Å; E69-M73 HydrophobicContact CG-SD 4.27Å; E69-M73 VanDerWaalsContact O-CG 3.3Å; E69-M73 WeakPolarHBondContact O-CG 3.21Å; E69-M73 PolarHBondContact O-N 3Å
70L98.7Very high97.1Very high3 Ų344.5 Ų44.52%0.01625%0.252CS..Hα-helixtrans-59.8-47.4176.2174.760.9000111.7I55 Q57 N66 L67 M68 I72 M73 I74 A87 I89 L116I55-L70 HydrophobicContact CB-CD1 4.09Å; I55-L70 HydrophobicContact CG2-CD1 3.57Å; Q57-L70 HydrophobicContact CB-CB 4.12Å; Q57-L70 HydrophobicContact CB-CD1 3.99Å; Q57-L70 HydrophobicContact CB-CD2 4.22Å; Q57-L70 HydrophobicContact CB-CG 4.33Å; Q57-L70 HydrophobicContact CG-CB 4.04Å; N66-L70 WeakPolarHBondContact O-CB 3.26Å; N66-L70 PolarHBondContact O-N 2.91Å; N66-L70 VanDerWaalsContact O-N 3.07Å; L67-L70 PolarHBondContact O-N 3.23Å; M68-L70 VanDerWaalsContact C-N 3.34Å; M68-L70 PolarHBondContact O-N 3.33Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 3.08Å; L70-M73 PolarHBondContact O-N 3.29Å; L70-I74 HydrophobicContact CD1-CD1 3.8Å; L70-I74 HydrophobicContact CD1-CG1 4.06Å; L70-I74 HydrophobicContact CG-CD1 3.76Å; L70-I74 HydrophobicContact CG-CG1 4.45Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.36Å; L70-I74 PolarHBondContact O-N 2.95Å; L70-A87 HydrophobicContact CD1-CB 4.41Å; L70-I89 HydrophobicContact CD2-CD1 3.8Å; L70-I89 HydrophobicContact CD2-CG1 3.98Å; L70-L116 HydrophobicContact CD2-CD2 3.76Å; L70-L116 HydrophobicContact CG-CD2 4.19Å
71L98.8Very high97.8Very high18 Ų1846.3 Ų46.39%0.09427%0.265CS..Hα-helixtrans-60.9-41.3178.9-66.3170.9000111.6L67 M68 E69 I74 N75 M115 L116 A119L67-L71 HydrophobicContact CD1-CD1 4.28Å; L67-L71 HydrophobicContact CD1-CG 4.3Å; L67-L71 HydrophobicContact CG-CD1 4.14Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 2.98Å; M68-L71 PolarHBondContact O-N 2.85Å; M68-L71 HydrophobicContact SD-CD1 4.18Å; E69-L71 PolarHBondContact O-N 2.8Å; L71-I74 PolarHBondContact O-N 3.31Å; L71-N75 WeakPolarHBondContact O-CB 3.44Å; L71-N75 PolarHBondContact O-N 2.88Å; L71-M115 HydrophobicContact CD1-CB 3.99Å; L71-M115 HydrophobicContact CD1-SD 4.32Å; L71-M115 VanDerWaalsContact CD2-C 3.5Å; L71-M115 HydrophobicContact CD2-CB 3.96Å; L71-M115 WeakPolarHBondContact CD2-O 3.42Å; L71-L116 HydrophobicContact CD2-CD2 3.94Å; L71-L116 HydrophobicContact CD2-CG 4.22Å; L71-A119 HydrophobicContact CB-CB 4.4Å; L71-A119 HydrophobicContact CD2-CB 3.78Å
72I98.8Very high98.2Very high50 Ų5043.2 Ų43.226%0.25623%0.232SC..Hα-helixtrans-66.1-44.1177.5-65162.4000110.5T40 V42 M68 E69 L70 N75 A76T40-I72 HydrophobicContact CG2-CD1 4.2Å; V42-I72 HydrophobicContact CB-CG2 3.73Å; V42-I72 HydrophobicContact CG2-CB 4.19Å; V42-I72 HydrophobicContact CG2-CG2 3.71Å; M68-I72 WeakPolarHBondContact O-CD1 3.36Å; M68-I72 WeakPolarHBondContact O-CG1 3.26Å; M68-I72 PolarHBondContact O-N 2.8Å; E69-I72 PolarHBondContact O-N 2.71Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 3.08Å; I72-N75 PolarHBondContact O-N 2.77Å; I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.38Å; I72-A76 PolarHBondContact O-N 3.38Å
73M98.8Very high98.4Very high0 Ų040.3 Ų40.30%023%0.227CC..Hα-helixtrans-61.7-44.8176.4-71.5179.177.200112F7 V30 V42 I55 E69 L70 A76 C77F7-M73 HydrophobicContact CB-CE 3.64Å; V30-M73 HydrophobicContact CG1-CE 4.5Å; V30-M73 HydrophobicContact CG2-CE 4.24Å; V42-M73 HydrophobicContact CB-CG 4.45Å; V42-M73 HydrophobicContact CG1-CB 4.49Å; V42-M73 HydrophobicContact CG1-CG 3.59Å; V42-M73 HydrophobicContact CG2-CG 4.05Å; I55-M73 HydrophobicContact CD1-CB 3.9Å; I55-M73 HydrophobicContact CG2-CB 4.19Å; I55-M73 HydrophobicContact CG2-CE 3.8Å; I55-M73 HydrophobicContact CG2-SD 3.93Å; E69-M73 HydrophobicContact CG-SD 4.27Å; E69-M73 VanDerWaalsContact O-CG 3.3Å; E69-M73 WeakPolarHBondContact O-CG 3.21Å; E69-M73 PolarHBondContact O-N 3Å; L70-M73 PolarHBondContact O-N 3.29Å; M73-A76 PolarHBondContact O-N 3.38Å; M73-C77 PolarHBondContact O-N 2.99Å; M73-C77 PolarHBondContact O-SG 3.36Å; M73-C77 VanDerWaalsContact O-SG 3.38Å
74I98.9Very high98.5Very high0 Ų041.5 Ų41.50%023%0.228CC..Hα-helixtrans-58.3-51.7176.9-69.3163.1000109.7I55 L70 L71 A76 C77 K78 V85 A87 L116 A119 A121I55-I74 HydrophobicContact CD1-CB 4.32Å; I55-I74 HydrophobicContact CD1-CG1 3.71Å; L70-I74 HydrophobicContact CD1-CD1 3.8Å; L70-I74 HydrophobicContact CD1-CG1 4.06Å; L70-I74 HydrophobicContact CG-CD1 3.76Å; L70-I74 HydrophobicContact CG-CG1 4.45Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.36Å; L70-I74 PolarHBondContact O-N 2.95Å; L71-I74 PolarHBondContact O-N 3.31Å; I74-A76 VanDerWaalsContact C-N 3.35Å; I74-A76 PolarHBondContact O-N 3.42Å; I74-C77 PolarHBondContact O-N 2.84Å; I74-K78 WeakPolarHBondContact O-CB 2.91Å; I74-K78 PolarHBondContact O-N 2.86Å; I74-V85 HydrophobicContact CB-CG1 4.33Å; I74-V85 HydrophobicContact CG1-CG1 4.15Å; I74-V85 HydrophobicContact CG2-CG1 4.03Å; I74-A87 HydrophobicContact CD1-CB 4.11Å; I74-L116 HydrophobicContact CD1-CD2 3.69Å; I74-A119 HydrophobicContact CB-CB 4.31Å; I74-A119 HydrophobicContact CG2-CB 4Å; I74-A119 WeakPolarHBondContact CG2-O 3.47Å; I74-A121 HydrophobicContact CD1-CB 4.32Å; I74-A121 HydrophobicContact CG2-CB 4.25Å
75N98.8Very high98.5Very high76 Ų7637.5 Ų37.541%0.40621%0.207SC..Hα-helixtrans-61.8-42.6-179.5179.772000111.7L71 I72 C77 K78 I79 A119L71-N75 WeakPolarHBondContact O-CB 3.44Å; L71-N75 PolarHBondContact O-N 2.88Å; I72-N75 PolarHBondContact O-N 2.77Å; N75-C77 PolarHBondContact O-N 3.02Å; N75-K78 PolarHBondContact O-N 3.3Å; N75-I79 WeakPolarHBondContact O-CG1 3.3Å; N75-I79 PolarHBondContact O-N 2.88Å; N75-A119 WeakPolarHBondContact CA-O 3.45Å
76A98.8Very high98.6Very high21 Ų2135.2 Ų35.217%0.17420%0.195CC..Hα-helixtrans-58.8-45.917700000111.9I44 I72 M73 I74 A80I44-A76 HydrophobicContact CG1-CB 4.01Å; I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.38Å; I72-A76 PolarHBondContact O-N 3.38Å; M73-A76 PolarHBondContact O-N 3.38Å; I74-A76 VanDerWaalsContact C-N 3.35Å; I74-A76 PolarHBondContact O-N 3.42Å; A76-A80 WeakPolarHBondContact O-CB 3.27Å; A76-A80 PolarHBondContact O-N 3.46Å
77C98.7Very high98.6Very high0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-65-41.2175.7-69.20000112.2V53 M73 I74 N75 A80 S81 A82 V85V53-C77 HydrophobicContact CG1-CB 4.4Å; M73-C77 PolarHBondContact O-N 2.99Å; M73-C77 PolarHBondContact O-SG 3.36Å; M73-C77 VanDerWaalsContact O-SG 3.38Å; I74-C77 PolarHBondContact O-N 2.84Å; N75-C77 PolarHBondContact O-N 3.02Å; C77-A80 CarbonylContact O-C 3.55Å; C77-A80 PolarHBondContact O-N 2.97Å; C77-S81 PolarHBondContact O-N 2.94Å; C77-A82 HydrophobicContact CB-CB 4.26Å; C77-A82 VanDerWaalsContact O-CB 3.24Å; C77-A82 WeakPolarHBondContact O-CB 3.4Å; C77-A82 PolarHBondContact O-N 3.33Å; C77-V85 HydrophobicContact CB-CG2 3.93Å
78K98.5Very high98.7Very high71 Ų7134 Ų3431%0.30919%0.188SC..Hα-helixtrans-62.6-50.2-179.1-164.163.7160.7-172.90111.6I74 N75 A80 S81 V85 G120 D122I74-K78 WeakPolarHBondContact O-CB 2.91Å; I74-K78 PolarHBondContact O-N 2.86Å; N75-K78 PolarHBondContact O-N 3.3Å; K78-A80 VanDerWaalsContact C-N 3.3Å; K78-A80 PolarHBondContact O-N 3.47Å; K78-S81 PolarHBondContact O-N 3.03Å; K78-V85 HydrophobicContact CD-CG2 4.45Å; K78-G120 WeakPolarHBondContact CE-O 3.45Å; K78-D122 IonicContact NZ-OD1 2.73Å; K78-D122 PolarHBondContact NZ-OD1 3.07Å; K78-D122 IonicContact NZ-OD2 2.87Å; K78-D122 PolarHBondContact NZ-OD2 2.87Å
79I98.6Very high98.7Very high124 Ų12429.5 Ų29.564%0.63617%0.166SC*.Hα-helixtrans-72.2-24.6179.171.2-178.2000112.4N75 S81N75-I79 WeakPolarHBondContact O-CG1 3.3Å; N75-I79 PolarHBondContact O-N 2.88Å; I79-S81 PolarHBondContact O-N 3.12Å; I79-S81 VanDerWaalsContact O-N 3.17Å
80A98.4Very high98.7Very high38 Ų3829.1 Ų29.131%0.31416%0.164SC..THydrogen-bonded Turntrans-74.49.5168.900000113.6V48 A76 C77 K78V48-A80 HydrophobicContact CG2-CB 3.59Å; A76-A80 WeakPolarHBondContact O-CB 3.27Å; A76-A80 PolarHBondContact O-N 3.46Å; C77-A80 CarbonylContact O-C 3.55Å; C77-A80 PolarHBondContact O-N 2.97Å; K78-A80 VanDerWaalsContact C-N 3.3Å; K78-A80 PolarHBondContact O-N 3.47Å
81S98.4Very high98.6Very high49 Ų4929.1 Ų29.134%0.34317%0.165SC..THydrogen-bonded Turntrans66.835175.1-45.20000114.2R49 G50 C77 K78 I79R49-S81 WeakPolarHBondContact CA-O 3.38Å; R49-S81 VanDerWaalsContact NH1-CB 3.26Å; R49-S81 PolarHBondContact NH1-OG 3.22Å; G50-S81 PolarHBondContact N-O 3.26Å; C77-S81 PolarHBondContact O-N 2.94Å; K78-S81 PolarHBondContact O-N 3.03Å; I79-S81 PolarHBondContact O-N 3.12Å; I79-S81 VanDerWaalsContact O-N 3.17Å
82A98.6Very high98.6Very high11 Ų1128.7 Ų28.79%0.09116%0.162CC..  trans-54.3141.2165.300000110.7V48 V53 C77 R84 V85V48-A82 HydrophobicContact CG2-CB 4.4Å; V48-A82 VanDerWaalsContact O-CA 3.31Å; V48-A82 WeakPolarHBondContact O-CA 3.49Å; V53-A82 HydrophobicContact CG2-CB 3.85Å; C77-A82 HydrophobicContact CB-CB 4.26Å; C77-A82 VanDerWaalsContact O-CB 3.24Å; C77-A82 WeakPolarHBondContact O-CB 3.4Å; C77-A82 PolarHBondContact O-N 3.33Å; A82-R84 VanDerWaalsContact C-N 3.33Å; A82-V85 HydrophobicContact CB-CG2 3.84Å
83S98.3Very high98.6Very high76 Ų7626.5 Ų26.553%0.53115%0.152SC..SBendtrans-67.9-38.8178.4-176.90000111.2G50 E51G50-S83 WeakPolarHBondContact O-CB 3.24Å; E51-S83 WeakPolarHBondContact O-CB 3.29Å; E51-S83 PolarHBondContact O-N 3.42Å
84R98.5Very high98.6Very high72 Ų7229.4 Ų29.427%0.27216%0.163SC..EExtended strand (participates in β ladder)trans-152.9142.4179.3-177.4170.166.2174.31.2108.9E51 D52 V53 Y54 A82 D122 T303E51-R84 PolarHBondContact O-N 3.26Å; D52-R84 WeakPolarHBondContact OD1-CB 3.37Å; D52-R84 IonicContact OD1-CZ 3.57Å; D52-R84 IonicContact OD1-NE 3.12Å; D52-R84 PolarHBondContact OD1-NE 3.14Å; D52-R84 IonicContact OD1-NH2 3.34Å; D52-R84 PolarHBondContact OD1-NH2 3.1Å; D52-R84 IonicContact OD2-CZ 2.76Å; D52-R84 IonicContact OD2-NE 3.51Å; D52-R84 IonicContact OD2-NH2 2.7Å; D52-R84 PolarHBondContact OD2-NH2 3.19Å; V53-R84 PolarHBondContact N-O 2.97Å; Y54-R84 PolarHBondContact OH-NH2 2.9Å; A82-R84 VanDerWaalsContact C-N 3.33Å; R84-D122 WeakPolarHBondContact CA-OD2 3.49Å; R84-D122 HydrophobicContact CG-CB 3.8Å; R84-T303 PolarHBondContact NH2-O 3.01Å
85V98.8Very high98.5Very high0 Ų029.7 Ų29.70%017%0.165CC..EExtended strand (participates in β ladder)trans-121.4112.2175-173.70000109.6V53 I55 I74 C77 K78 A82 D122V53-V85 WeakPolarHBondContact O-CA 3.29Å; I55-V85 HydrophobicContact CD1-CG1 3.8Å; I74-V85 HydrophobicContact CB-CG1 4.33Å; I74-V85 HydrophobicContact CG1-CG1 4.15Å; I74-V85 HydrophobicContact CG2-CG1 4.03Å; C77-V85 HydrophobicContact CB-CG2 3.93Å; K78-V85 HydrophobicContact CD-CG2 4.45Å; A82-V85 HydrophobicContact CB-CG2 3.84Å; V85-D122 PolarHBondContact N-OD2 2.78Å; V85-D122 PolarHBondContact O-N 3.37Å
86T98.9Very high98.3Very high0 Ų030.7 Ų30.70%016%0.163CC..EExtended strand (participates in β ladder)trans-101.2122.9175.2-56.50000109.8V53 Y54 I55 V88 H123 I125V53-T86 PolarHBondContact O-N 2.82Å; Y54-T86 WeakPolarHBondContact CA-O 3.27Å; Y54-T86 HydrophobicContact CD1-CG2 3.72Å; Y54-T86 HydrophobicContact CE1-CG2 3.82Å; I55-T86 PolarHBondContact N-O 2.83Å; T86-V88 HydrophobicContact CG2-CG2 4.34Å; T86-H123 CarbonylContact C-O 3.32Å; T86-H123 VanDerWaalsContact CA-O 3.29Å; T86-H123 WeakPolarHBondContact CA-O 3.47Å; T86-H123 HydrophobicContact CG2-CB 4.01Å; T86-I125 HydrophobicContact CG2-CD1 3.9Å; T86-I125 HydrophobicContact CG2-CG1 3.87Å
87A98.8Very high98.1Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-88.2117.1171.500000109.5L70 I74 I89 H123 I124 I125L70-A87 HydrophobicContact CD1-CB 4.41Å; I74-A87 HydrophobicContact CD1-CB 4.11Å; A87-I89 HydrophobicContact CB-CD1 4.04Å; A87-I89 HydrophobicContact CB-CG1 4.05Å; A87-H123 PolarHBondContact N-O 2.89Å; A87-I124 HydrophobicContact CB-CD1 3.79Å; A87-I124 WeakPolarHBondContact O-CA 3.26Å; A87-I125 PolarHBondContact O-N 2.86Å
88V98.8Very high98Very high0 Ų034.9 Ų34.90%018%0.18CC..EExtended strand (participates in β ladder)trans-98.3105.4175.7-175.10000107.6Y54 I55 V56 Q57 T86 P90 I125 L296 I300Y54-V88 HydrophobicContact CD1-CG2 4.01Å; I55-V88 PolarHBondContact O-N 2.71Å; V56-V88 WeakPolarHBondContact CA-O 3.39Å; V56-V88 HydrophobicContact CG2-CB 4.11Å; V56-V88 HydrophobicContact CG2-CG1 4.4Å; Q57-V88 PolarHBondContact N-O 3.08Å; T86-V88 HydrophobicContact CG2-CG2 4.34Å; V88-P90 WeakPolarHBondContact O-CD 3.46Å; V88-I125 CarbonylContact C-O 3.55Å; V88-I125 WeakPolarHBondContact CA-O 3.3Å; V88-I125 HydrophobicContact CG1-CB 4.41Å; V88-I125 HydrophobicContact CG1-CG2 4.39Å; V88-I125 HydrophobicContact CG2-CB 4.31Å; V88-I125 HydrophobicContact CG2-CD1 4.39Å; V88-L296 HydrophobicContact CG1-CD2 4.15Å; V88-I300 HydrophobicContact CG2-CD1 4.07Å; V88-I300 HydrophobicContact CG2-CG1 4.16Å
89I98.7Very high97.7Very high1 Ų136.9 Ų36.91%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-120.283.9-170.5-47.9176.2000109.8Q57 L70 A87 C91 F92 L116 I124 I125 T126Q57-I89 WeakPolarHBondContact O-CA 3.24Å; Q57-I89 WeakPolarHBondContact O-CG2 3.44Å; L70-I89 HydrophobicContact CD2-CD1 3.8Å; L70-I89 HydrophobicContact CD2-CG1 3.98Å; A87-I89 HydrophobicContact CB-CD1 4.04Å; A87-I89 HydrophobicContact CB-CG1 4.05Å; I89-C91 VanDerWaalsContact C-N 3.34Å; I89-C91 WeakPolarHBondContact CG2-O 3.42Å; I89-C91 PolarHBondContact O-N 3.05Å; I89-F92 HydrophobicContact CD1-CD2 4.29Å; I89-F92 HydrophobicContact CD1-CE2 4.2Å; I89-F92 HydrophobicContact CG2-CD2 4.27Å; I89-L116 HydrophobicContact CD1-CD1 3.72Å; I89-L116 HydrophobicContact CD1-CD2 4.17Å; I89-I124 HydrophobicContact CD1-CG2 4.34Å; I89-I125 PolarHBondContact N-O 3.35Å; I89-T126 WeakPolarHBondContact O-CA 3.41Å; I89-T126 VanDerWaalsContact O-CB 3.28Å; I89-T126 WeakPolarHBondContact O-CB 3.37Å; I89-T126 PolarHBondContact O-OG1 2.91Å
90P98.4Very high97.4Very high1 Ų137.6 Ų37.61%0.00619%0.187CC..SBendtrans-56.6-41.8-173.3-26.534.1000114L15 V88 H250 T274 L296L15-P90 HydrophobicContact CD2-CB 4.16Å; L15-P90 HydrophobicContact CD2-CG 3.65Å; V88-P90 WeakPolarHBondContact O-CD 3.46Å; P90-H250 PolarHBondContact O-CE1 3.23Å; P90-T274 HydrophobicContact CB-CG2 3.84Å; P90-L296 HydrophobicContact CB-CD1 4.32Å; P90-L296 HydrophobicContact CG-CD1 3.88Å
91C98.4Very high96.5Very high4 Ų441.2 Ų41.23%0.02720%0.201CC..SBendtrans-116.4112.8168.8178.50000109.2S58 G59 I89 I275S58-C91 WeakPolarHBondContact OG-CB 3.38Å; S58-C91 PolarHBondContact OG-N 2.96Å; G59-C91 WeakPolarHBondContact CA-O 3.42Å; G59-C91 PolarHBondContact N-O 2.84Å; I89-C91 VanDerWaalsContact C-N 3.34Å; I89-C91 WeakPolarHBondContact CG2-O 3.42Å; I89-C91 PolarHBondContact O-N 3.05Å; C91-I275 HydrophobicContact CB-CD1 4.15Å; C91-I275 HydrophobicContact CB-CG1 3.97Å
92F98.5Very high95.7Very high8 Ų847.1 Ų47.14%0.03522%0.221CC..  trans-70.4125-175.2-165.4-93.2000112.2I89 A95 V112 L116 L129 I134 F138I89-F92 HydrophobicContact CD1-CD2 4.29Å; I89-F92 HydrophobicContact CD1-CE2 4.2Å; I89-F92 HydrophobicContact CG2-CD2 4.27Å; F92-A95 HydrophobicContact CB-CB 4.38Å; F92-A95 HydrophobicContact CD1-CB 4.24Å; F92-A95 WeakPolarHBondContact O-CB 3.44Å; F92-V112 HydrophobicContact CE1-CB 4.4Å; F92-V112 HydrophobicContact CE1-CG1 3.92Å; F92-V112 HydrophobicContact CE2-CG1 4.49Å; F92-V112 HydrophobicContact CZ-CB 4.44Å; F92-V112 HydrophobicContact CZ-CG1 3.68Å; F92-L116 HydrophobicContact CE2-CD1 3.96Å; F92-L116 HydrophobicContact CZ-CD1 4.18Å; F92-L129 HydrophobicContact CB-CD2 3.52Å; F92-L129 HydrophobicContact CD1-CD2 4.17Å; F92-L129 HydrophobicContact CD2-CD2 4.22Å; F92-L129 HydrophobicContact CG-CD2 3.71Å; F92-I134 HydrophobicContact CD1-CG2 4.34Å; F92-I134 HydrophobicContact CE1-CG2 4.07Å; F92-I134 HydrophobicContact CZ-CG2 4.41Å; F92-F138 AromaticContact CE2-CE2 3.97Å; F92-F138 HydrophobicContact CE2-CE2 3.97Å; F92-F138 AromaticContact CE2-CZ 3.68Å; F92-F138 HydrophobicContact CE2-CZ 3.68Å; F92-F138 AromaticContact CZ-CE2 3.84Å; F92-F138 HydrophobicContact CZ-CE2 3.84Å; F92-F138 AromaticContact CZ-CZ 3.63Å; F92-F138 HydrophobicContact CZ-CZ 3.63Å
93P98.1Very high94.7Very high5 Ų551.5 Ų51.53%0.03225%0.251CS..THydrogen-bonded Turntrans-68.9145.7-176.326.8-31.6000111.2I63 L67 A95 V112I63-P93 HydrophobicContact CD1-CB 3.72Å; I63-P93 HydrophobicContact CG1-CB 3.77Å; L67-P93 HydrophobicContact CD1-CG 4.22Å; P93-A95 PolarHBondContact O-N 2.83Å; P93-A95 VanDerWaalsContact O-N 3.12Å; P93-V112 HydrophobicContact CG-CG1 3.99Å
94Y97.8Very high94.4Very high61 Ų6158.9 Ų58.924%0.23927%0.267CS..THydrogen-bonded Turntrans60.614.6179.7-66.3-87.6000116.1I63 N64 L67 R96 Q97 V112I63-Y94 HydrophobicContact CD1-CD2 4.05Å; I63-Y94 HydrophobicContact CD1-CE2 4.01Å; I63-Y94 HydrophobicContact CG1-CE2 4.19Å; I63-Y94 HydrophobicContact CG2-CE2 4.36Å; N64-Y94 PolarHBondContact OD1-OH 3.43Å; L67-Y94 HydrophobicContact CD2-CE2 4.38Å; Y94-R96 PolarHBondContact O-N 3.43Å; Y94-R96 VanDerWaalsContact O-N 3.09Å; Y94-Q97 PolarHBondContact O-N 2.9Å; Y94-V112 HydrophobicContact CD2-CG2 3.77Å; Y94-V112 HydrophobicContact CG-CG2 4.23Å
95A97.2Very high94.1Very high5 Ų557.1 Ų57.14%0.04127%0.268CS..THydrogen-bonded Turntrans-57.6-28.8-17400000115.1F92 P93 Q97 H130 I134F92-A95 HydrophobicContact CB-CB 4.38Å; F92-A95 HydrophobicContact CD1-CB 4.24Å; F92-A95 WeakPolarHBondContact O-CB 3.44Å; P93-A95 PolarHBondContact O-N 2.83Å; P93-A95 VanDerWaalsContact O-N 3.12Å; A95-Q97 PolarHBondContact O-N 2.95Å; A95-H130 HydrophobicContact CB-CB 3.78Å; A95-I134 HydrophobicContact CB-CD1 3.95Å
96R94.8Very high94Very high98 Ų9861 Ų6137%0.3729%0.293SS..THydrogen-bonded Turntrans-71.9-9.8175.2-59.6-174.4-155.1145.115114.4Y94 M222 D224Y94-R96 PolarHBondContact O-N 3.43Å; Y94-R96 VanDerWaalsContact O-N 3.09Å; R96-M222 HydrophobicContact CG-SD 3.95Å; R96-M222 PolarHBondContact NE-SD 3.18Å; R96-M222 PolarHBondContact NH2-SD 3.49Å; R96-D224 IonicContact CZ-OD2 3.14Å; R96-D224 IonicContact NH1-OD2 2.82Å; R96-D224 PolarHBondContact NH1-OD2 3.29Å; R96-D224 IonicContact NH2-OD2 3.1Å
97Q95.7Very high93.9Very high83 Ų8363.9 Ų63.939%0.38831%0.308SS..  trans-10653.1-179.7-61.8-178.330.400109.9Y94 A95 I107 S108 A109Y94-Q97 PolarHBondContact O-N 2.9Å; A95-Q97 PolarHBondContact O-N 2.95Å; Q97-I107 CarbonylContact O-C 3.57Å; Q97-I107 WeakPolarHBondContact O-CA 3.36Å; Q97-S108 PolarHBondContact O-N 3.27Å; Q97-S108 VanDerWaalsContact OE1-CB 3.22Å; Q97-S108 PolarHBondContact OE1-OG 3.02Å; Q97-A109 PolarHBondContact O-N 2.98Å; Q97-A109 VanDerWaalsContact O-N 3.1Å
98D95.5Very high93.9Very high26 Ų2664.6 Ų64.614%0.13931%0.313CS..  trans-93.6-10.1-174.867-44.7000113.7I107 A109 A131 I134 F137D98-I107 WeakPolarHBondContact O-CG2 3.45Å; D98-A109 HydrophobicContact CB-CB 4.45Å; D98-A131 HydrophobicContact CB-CB 4.44Å; D98-A131 WeakPolarHBondContact OD2-CB 3.33Å; D98-I134 HydrophobicContact CB-CD1 4.29Å; D98-I134 HydrophobicContact CB-CG1 4.15Å; D98-F137 HydrophobicContact CB-CE2 4.24Å; D98-F137 HydrophobicContact CB-CZ 4.38Å; D98-F137 WeakPolarHBondContact O-CZ 3.38Å
99K93.3Very high93.9Very high113 Ų11364.6 Ų64.649%0.49131%0.313SS..SBendtrans-148.1161.2-178.559.5-175.2162.5165.90112.5D101K99-D101 VanDerWaalsContact C-N 3.33Å; K99-D101 VanDerWaalsContact CD-OD1 3.27Å; K99-D101 WeakPolarHBondContact CD-OD1 3.41Å; K99-D101 WeakPolarHBondContact CE-OD1 3.3Å; K99-D101 WeakPolarHBondContact CG-OD1 3.3Å; K99-D101 IonicContact NZ-OD1 2.71Å; K99-D101 PolarHBondContact NZ-OD1 3.5Å; K99-D101 PolarHBondContact O-N 2.9Å; K99-D101 VanDerWaalsContact O-N 3.08Å
100K91.8Very high93.8Very high139 Ų13967.9 Ų67.960%0.60433%0.327SS*.  trans-81.277.9171.1-67.2-173.2175.1177.20109.9K102 A105 I107K100-K102 PolarHBondContact O-N 3.35Å; K100-K102 VanDerWaalsContact O-N 3.14Å; K100-A105 WeakPolarHBondContact CE-O 3.46Å; K100-I107 HydrophobicContact CG-CD1 4.17Å; K100-I107 HydrophobicContact CG-CG1 3.94Å
101D79.5Confident93.9Very high114 Ų11472.5 Ų72.561%0.6135%0.351SS*.SBendtrans-59.5-23176.6-81-33000113.2K99K99-D101 VanDerWaalsContact C-N 3.33Å; K99-D101 VanDerWaalsContact CD-OD1 3.27Å; K99-D101 WeakPolarHBondContact CD-OD1 3.41Å; K99-D101 WeakPolarHBondContact CE-OD1 3.3Å; K99-D101 WeakPolarHBondContact CG-OD1 3.3Å; K99-D101 IonicContact NZ-OD1 2.71Å; K99-D101 PolarHBondContact NZ-OD1 3.5Å; K99-D101 PolarHBondContact O-N 2.9Å; K99-D101 VanDerWaalsContact O-N 3.08Å
102K81.1Confident93.9Very high173 Ų17372.5 Ų72.575%0.75235%0.351SS*.SBendtrans-138.8160.3171.2-64.8-177.6-177.8176.80110.2K100 R104 A105K100-K102 PolarHBondContact O-N 3.35Å; K100-K102 VanDerWaalsContact O-N 3.14Å; K102-R104 PolarHBondContact O-N 3.28Å; K102-A105 PolarHBondContact O-N 2.9Å
103S77.1Confident93.9Very high103 Ų10372.1 Ų72.172%0.7235%0.349SS*.THydrogen-bonded Turntrans-58.8133.4175.1-172.50000111.1
104R91.7Very high93.9Very high230 Ų23075.3 Ų75.387%0.86837%0.366SS*.THydrogen-bonded Turntrans70.123-179.4-55.8176.3-73-114.3-0.4117.3K102K102-R104 PolarHBondContact O-N 3.28Å
105A94.1Very high94Very high35 Ų3575.3 Ų75.329%0.28937%0.369SS..  trans-83.5150.7165.400000111.9K100 K102K100-A105 WeakPolarHBondContact CE-O 3.46Å; K102-A105 PolarHBondContact O-N 2.9Å
106P95.8Very high94Very high83 Ų8375 Ų7554%0.53937%0.367SS..  trans-73.2158.5168.732.9-35.2000111.3
107I97.5Very high94.2Very high59 Ų5972.1 Ų72.130%0.30336%0.362SS..  trans-104.278.1162.6-56.6177.8000106.2Q97 D98 K100 A109 K110 L111 F137Q97-I107 CarbonylContact O-C 3.57Å; Q97-I107 WeakPolarHBondContact O-CA 3.36Å; D98-I107 WeakPolarHBondContact O-CG2 3.45Å; K100-I107 HydrophobicContact CG-CD1 4.17Å; K100-I107 HydrophobicContact CG-CG1 3.94Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 2.86Å; I107-K110 HydrophobicContact CB-CB 4.23Å; I107-K110 HydrophobicContact CG2-CB 3.64Å; I107-K110 PolarHBondContact O-N 3.23Å; I107-K110 VanDerWaalsContact O-N 3.09Å; I107-L111 PolarHBondContact O-N 3.31Å; I107-L111 VanDerWaalsContact O-N 3.14Å; I107-F137 HydrophobicContact CG2-CE2 4.06Å; I107-F137 HydrophobicContact CG2-CZ 4.03Å
108S97.9Very high94.4Very high15 Ų1574.2 Ų74.211%0.10538%0.38CS..Hα-helixtrans-65.3-31.3-171.1-53.20000112.1Q97 K110 L111 V112Q97-S108 PolarHBondContact O-N 3.27Å; Q97-S108 VanDerWaalsContact OE1-CB 3.22Å; Q97-S108 PolarHBondContact OE1-OG 3.02Å; S108-K110 VanDerWaalsContact C-N 3.28Å; S108-K110 PolarHBondContact O-N 3.33Å; S108-L111 WeakPolarHBondContact O-CB 3.22Å; S108-L111 PolarHBondContact O-N 3.32Å; S108-L111 VanDerWaalsContact O-N 3.14Å; S108-V112 WeakPolarHBondContact O-CG2 3.45Å; S108-V112 PolarHBondContact O-N 3.4Å
109A98.1Very high94.5Very high0 Ų073.7 Ų73.70%038%0.379CS..Hα-helixtrans-60.1-37.8172.800000112.2Q97 D98 I107 V112 A113 I134 F137Q97-A109 PolarHBondContact O-N 2.98Å; Q97-A109 VanDerWaalsContact O-N 3.1Å; D98-A109 HydrophobicContact CB-CB 4.45Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 2.86Å; A109-V112 PolarHBondContact O-N 2.69Å; A109-A113 PolarHBondContact O-N 3.49Å; A109-I134 HydrophobicContact CB-CD1 4.45Å; A109-I134 HydrophobicContact CB-CG1 4.47Å; A109-F137 HydrophobicContact CB-CD2 4.16Å; A109-F137 HydrophobicContact CB-CE2 3.87Å
110K98.5Very high94.8Very high70 Ų7069 Ų6930%0.30436%0.362SS..Hα-helixtrans-70.6-37.2174.3176.759.9-171.2-128.60111.8I107 S108 A113 N114 F137I107-K110 HydrophobicContact CB-CB 4.23Å; I107-K110 HydrophobicContact CG2-CB 3.64Å; I107-K110 PolarHBondContact O-N 3.23Å; I107-K110 VanDerWaalsContact O-N 3.09Å; S108-K110 VanDerWaalsContact C-N 3.28Å; S108-K110 PolarHBondContact O-N 3.33Å; K110-A113 PolarHBondContact O-N 3.2Å; K110-N114 WeakPolarHBondContact CE-OD1 3.45Å; K110-N114 PolarHBondContact O-N 2.95Å; K110-F137 HydrophobicContact CB-CD1 4.47Å; K110-F137 HydrophobicContact CB-CD2 3.87Å; K110-F137 HydrophobicContact CB-CE2 4.14Å; K110-F137 HydrophobicContact CB-CG 4.06Å; K110-F137 HydrophobicContact CD-CB 3.62Å; K110-F137 HydrophobicContact CD-CD1 4.13Å; K110-F137 HydrophobicContact CD-CD2 4.46Å; K110-F137 HydrophobicContact CD-CG 3.83Å; K110-F137 WeakPolarHBondContact CE-O 3.16Å; K110-F137 PolarHBondContact NZ-O 2.79Å; K110-F137 VanDerWaalsContact NZ-O 3.16Å
111L98.7Very high95.1Very high99 Ų9962.5 Ų62.552%0.51834%0.335SS..Hα-helixtrans-61.1-45.8173.5176.762000111I107 S108 A113 N114 M115I107-L111 PolarHBondContact O-N 3.31Å; I107-L111 VanDerWaalsContact O-N 3.14Å; S108-L111 WeakPolarHBondContact O-CB 3.22Å; S108-L111 PolarHBondContact O-N 3.32Å; S108-L111 VanDerWaalsContact O-N 3.14Å; L111-A113 PolarHBondContact O-N 2.76Å; L111-N114 WeakPolarHBondContact O-CB 3.46Å; L111-N114 PolarHBondContact O-N 3.42Å; L111-M115 HydrophobicContact CD1-CG 4.43Å; L111-M115 HydrophobicContact CG-CE 4.19Å; L111-M115 HydrophobicContact CG-SD 4.47Å; L111-M115 WeakPolarHBondContact O-CG 3.42Å; L111-M115 PolarHBondContact O-N 2.86Å
112V98.7Very high96Very high3 Ų359.5 Ų59.52%0.01832%0.319CS..Hα-helixtrans-58.6-46.3174.5170.40000111.2L67 F92 P93 Y94 S108 A109 N114 M115 L116L67-V112 HydrophobicContact CD1-CG1 4.13Å; L67-V112 HydrophobicContact CD2-CG2 3.94Å; F92-V112 HydrophobicContact CE1-CB 4.4Å; F92-V112 HydrophobicContact CE1-CG1 3.92Å; F92-V112 HydrophobicContact CE2-CG1 4.49Å; F92-V112 HydrophobicContact CZ-CB 4.44Å; F92-V112 HydrophobicContact CZ-CG1 3.68Å; P93-V112 HydrophobicContact CG-CG1 3.99Å; Y94-V112 HydrophobicContact CD2-CG2 3.77Å; Y94-V112 HydrophobicContact CG-CG2 4.23Å; S108-V112 WeakPolarHBondContact O-CG2 3.45Å; S108-V112 PolarHBondContact O-N 3.4Å; A109-V112 PolarHBondContact O-N 2.69Å; V112-N114 VanDerWaalsContact C-N 3.31Å; V112-N114 PolarHBondContact O-N 3.43Å; V112-M115 HydrophobicContact CB-CE 4.47Å; V112-M115 HydrophobicContact CG2-CE 4.06Å; V112-M115 PolarHBondContact O-N 3.11Å; V112-M115 VanDerWaalsContact O-N 3.17Å; V112-L116 HydrophobicContact CG1-CD1 3.93Å; V112-L116 HydrophobicContact CG1-CG 4.5Å; V112-L116 WeakPolarHBondContact O-CG 3.32Å; V112-L116 PolarHBondContact O-N 3.39Å
113A98.8Very high96.9Very high0 Ų052 Ų520%029%0.286CS..Hα-helixtrans-57.9-43.1176.700000112.4A109 K110 L111 L116 S117 F137 F138A109-A113 PolarHBondContact O-N 3.49Å; K110-A113 PolarHBondContact O-N 3.2Å; L111-A113 PolarHBondContact O-N 2.76Å; A113-L116 PolarHBondContact O-N 2.73Å; A113-S117 WeakPolarHBondContact O-CB 3.5Å; A113-S117 PolarHBondContact O-N 3.28Å; A113-S117 PolarHBondContact O-OG 3.48Å; A113-F137 HydrophobicContact CB-CB 3.77Å; A113-F138 VanDerWaalsContact CA-CE1 3.44Å; A113-F138 VanDerWaalsContact CA-CZ 3.44Å; A113-F138 HydrophobicContact CB-CD1 3.95Å; A113-F138 HydrophobicContact CB-CD2 3.89Å; A113-F138 HydrophobicContact CB-CE1 3.62Å; A113-F138 HydrophobicContact CB-CE2 3.54Å; A113-F138 HydrophobicContact CB-CG 4.1Å; A113-F138 HydrophobicContact CB-CZ 3.41Å; A113-F138 VanDerWaalsContact CB-CZ 3.41Å
114N98.8Very high97.9Very high73 Ų7347 Ų4739%0.3925%0.252SS..Hα-helixtrans-63.1-44.2175.1-72.4-12000112K110 L111 V112 S117 V118K110-N114 WeakPolarHBondContact CE-OD1 3.45Å; K110-N114 PolarHBondContact O-N 2.95Å; L111-N114 WeakPolarHBondContact O-CB 3.46Å; L111-N114 PolarHBondContact O-N 3.42Å; V112-N114 VanDerWaalsContact C-N 3.31Å; V112-N114 PolarHBondContact O-N 3.43Å; N114-S117 PolarHBondContact O-N 3.25Å; N114-V118 WeakPolarHBondContact O-CB 3.35Å; N114-V118 VanDerWaalsContact O-CG2 3.3Å; N114-V118 WeakPolarHBondContact O-CG2 3.39Å; N114-V118 PolarHBondContact O-N 3Å
115M98.8Very high98.2Very high60 Ų6036.1 Ų36.130%0.29621%0.21SC..Hα-helixtrans-62.7-43.9179.4-69.8-173.4-61.100111.6L67 L71 L111 V112 S117 V118 A119L67-M115 HydrophobicContact CD2-CE 3.77Å; L71-M115 HydrophobicContact CD1-CB 3.99Å; L71-M115 HydrophobicContact CD1-SD 4.32Å; L71-M115 VanDerWaalsContact CD2-C 3.5Å; L71-M115 HydrophobicContact CD2-CB 3.96Å; L71-M115 WeakPolarHBondContact CD2-O 3.42Å; L111-M115 HydrophobicContact CD1-CG 4.43Å; L111-M115 HydrophobicContact CG-CE 4.19Å; L111-M115 HydrophobicContact CG-SD 4.47Å; L111-M115 WeakPolarHBondContact O-CG 3.42Å; L111-M115 PolarHBondContact O-N 2.86Å; V112-M115 HydrophobicContact CB-CE 4.47Å; V112-M115 HydrophobicContact CG2-CE 4.06Å; V112-M115 PolarHBondContact O-N 3.11Å; V112-M115 VanDerWaalsContact O-N 3.17Å; M115-S117 VanDerWaalsContact C-N 3.35Å; M115-S117 PolarHBondContact O-N 3.18Å; M115-V118 PolarHBondContact O-N 3.41Å; M115-A119 VanDerWaalsContact O-CB 3.28Å; M115-A119 WeakPolarHBondContact O-CB 3.3Å; M115-A119 PolarHBondContact O-N 3.23Å
116L98.8Very high98.4Very high0 Ų034.4 Ų34.40%020%0.197CC..Hα-helixtrans-61.4-43.1175.7-72.9165.3000111.9L70 L71 I74 I89 F92 V112 A113 G120 A121 I124 F138L70-L116 HydrophobicContact CD2-CD2 3.76Å; L70-L116 HydrophobicContact CG-CD2 4.19Å; L71-L116 HydrophobicContact CD2-CD2 3.94Å; L71-L116 HydrophobicContact CD2-CG 4.22Å; I74-L116 HydrophobicContact CD1-CD2 3.69Å; I89-L116 HydrophobicContact CD1-CD1 3.72Å; I89-L116 HydrophobicContact CD1-CD2 4.17Å; F92-L116 HydrophobicContact CE2-CD1 3.96Å; F92-L116 HydrophobicContact CZ-CD1 4.18Å; V112-L116 HydrophobicContact CG1-CD1 3.93Å; V112-L116 HydrophobicContact CG1-CG 4.5Å; V112-L116 WeakPolarHBondContact O-CG 3.32Å; V112-L116 PolarHBondContact O-N 3.39Å; A113-L116 PolarHBondContact O-N 2.73Å; L116-G120 PolarHBondContact O-N 3.08Å; L116-A121 WeakPolarHBondContact O-CB 3.45Å; L116-A121 PolarHBondContact O-N 3.42Å; L116-I124 HydrophobicContact CD1-CD1 4.32Å; L116-F138 HydrophobicContact CB-CE1 4.09Å; L116-F138 HydrophobicContact CD1-CE1 4.05Å; L116-F138 HydrophobicContact CD1-CZ 3.91Å
117S98.4Very high98.6Very high37 Ų3730.5 Ų30.526%0.25917%0.171SC..Hα-helixtrans-63.8-46.8178.3-550000111.2A113 N114 M115 G120A113-S117 WeakPolarHBondContact O-CB 3.5Å; A113-S117 PolarHBondContact O-N 3.28Å; A113-S117 PolarHBondContact O-OG 3.48Å; N114-S117 PolarHBondContact O-N 3.25Å; M115-S117 VanDerWaalsContact C-N 3.35Å; M115-S117 PolarHBondContact O-N 3.18Å; S117-G120 PolarHBondContact O-N 3.41Å; S117-G120 VanDerWaalsContact O-N 3.15Å
118V98.7Very high98.6Very high127 Ų12728 Ų2877%0.7716%0.159SC*.Hα-helixtrans-71.4-31.7-179.2174.40000112.3N114 M115 G120N114-V118 WeakPolarHBondContact O-CB 3.35Å; N114-V118 VanDerWaalsContact O-CG2 3.3Å; N114-V118 WeakPolarHBondContact O-CG2 3.39Å; N114-V118 PolarHBondContact O-N 3Å; M115-V118 PolarHBondContact O-N 3.41Å; V118-G120 PolarHBondContact O-N 2.9Å
119A98.7Very high98.6Very high15 Ų1527.9 Ų27.912%0.12416%0.156CC..Hα-helixtrans-63.7-19.8172.400000112.7L71 I74 N75 M115L71-A119 HydrophobicContact CB-CB 4.4Å; L71-A119 HydrophobicContact CD2-CB 3.78Å; I74-A119 HydrophobicContact CB-CB 4.31Å; I74-A119 HydrophobicContact CG2-CB 4Å; I74-A119 WeakPolarHBondContact CG2-O 3.47Å; N75-A119 WeakPolarHBondContact CA-O 3.45Å; M115-A119 VanDerWaalsContact O-CB 3.28Å; M115-A119 WeakPolarHBondContact O-CB 3.3Å; M115-A119 PolarHBondContact O-N 3.23Å
120G98.6Very high98.5Very high13 Ų1331.1 Ų31.113%0.13417%0.172CC..THydrogen-bonded Turntrans107.923.1173.100000114.9K78 L116 S117 V118K78-G120 WeakPolarHBondContact CE-O 3.45Å; L116-G120 PolarHBondContact O-N 3.08Å; S117-G120 PolarHBondContact O-N 3.41Å; S117-G120 VanDerWaalsContact O-N 3.15Å; V118-G120 PolarHBondContact O-N 2.9Å
121A98.8Very high98.4Very high4 Ų428.3 Ų28.33%0.03316%0.161CC..  trans-66.4135.9169.800000110.4I74 L116 I124 I140I74-A121 HydrophobicContact CD1-CB 4.32Å; I74-A121 HydrophobicContact CG2-CB 4.25Å; L116-A121 WeakPolarHBondContact O-CB 3.45Å; L116-A121 PolarHBondContact O-N 3.42Å; A121-I124 HydrophobicContact CB-CD1 4.18Å; A121-I140 HydrophobicContact CB-CD1 4.11Å; A121-I140 WeakPolarHBondContact O-CD1 3.49Å
122D98.8Very high98.2Very high51 Ų5126.8 Ų26.827%0.27316%0.159SC..SBendtrans-101.8-19.6179.4-59.8-67.4000112.1K78 R84 V85K78-D122 IonicContact NZ-OD1 2.73Å; K78-D122 PolarHBondContact NZ-OD1 3.07Å; K78-D122 IonicContact NZ-OD2 2.87Å; K78-D122 PolarHBondContact NZ-OD2 2.87Å; R84-D122 WeakPolarHBondContact CA-OD2 3.49Å; R84-D122 HydrophobicContact CG-CB 3.8Å; V85-D122 PolarHBondContact N-OD2 2.78Å; V85-D122 PolarHBondContact O-N 3.37Å
123H98.8Very high98.1Very high14 Ų1432.7 Ų32.77%0.06519%0.186CC..EExtended strand (participates in β ladder)trans-155.5144.7-179.5-170177.9000109.9T86 A87 P141 D143 T303T86-H123 CarbonylContact C-O 3.32Å; T86-H123 VanDerWaalsContact CA-O 3.29Å; T86-H123 WeakPolarHBondContact CA-O 3.47Å; T86-H123 HydrophobicContact CG2-CB 4.01Å; A87-H123 PolarHBondContact N-O 2.89Å; H123-P141 PolarHBondContact CD2-O 3.28Å; H123-D143 IonicContact CE1-OD2 3.09Å; H123-D143 PolarHBondContact CE1-OD2 3.27Å; H123-D143 IonicContact NE2-OD2 3.84Å; H123-D143 PolarHBondContact NE2-OD2 2.86Å; H123-D143 VanDerWaalsContact NE2-OD2 3.14Å; H123-T303 VanDerWaalsContact ND1-CG2 3.31Å; H123-T303 WeakPolarHBondContact ND1-CG2 3.48Å
124I98.8Very high98.1Very high0 Ų032.7 Ų32.70%019%0.186CC..EExtended strand (participates in β ladder)trans-112.5132169.3-50.4-59.9000110.6A87 I89 L116 A121 F138 I140 P141 V142 D143A87-I124 HydrophobicContact CB-CD1 3.79Å; A87-I124 WeakPolarHBondContact O-CA 3.26Å; I89-I124 HydrophobicContact CD1-CG2 4.34Å; L116-I124 HydrophobicContact CD1-CD1 4.32Å; A121-I124 HydrophobicContact CB-CD1 4.18Å; I124-F138 HydrophobicContact CD1-CE1 4.02Å; I124-F138 HydrophobicContact CD1-CZ 4.45Å; I124-F138 HydrophobicContact CG1-CD1 4.04Å; I124-F138 HydrophobicContact CG1-CE1 3.72Å; I124-F138 HydrophobicContact CG1-CZ 4.02Å; I124-I140 HydrophobicContact CD1-CD1 4.06Å; I124-I140 HydrophobicContact CG1-CD1 3.91Å; I124-I140 HydrophobicContact CG1-CG1 4.48Å; I124-P141 PolarHBondContact N-O 3.28Å; I124-P141 VanDerWaalsContact N-O 3.11Å; I124-V142 HydrophobicContact CB-CB 4.47Å; I124-V142 HydrophobicContact CB-CG1 4.16Å; I124-V142 HydrophobicContact CB-CG2 4.13Å; I124-V142 HydrophobicContact CG1-CG2 4.29Å; I124-V142 HydrophobicContact CG2-CG1 4.31Å; I124-V142 CarbonylContact O-C 3.58Å; I124-V142 WeakPolarHBondContact O-CA 3.5Å; I124-D143 PolarHBondContact O-N 3.07Å
125I98.8Very high98.1Very high0 Ų032.5 Ų32.50%018%0.183CC..EExtended strand (participates in β ladder)trans-111.8125.1163.8-61.8175.3000107.3Y54 T86 A87 V88 I89 D143 L145 L296 A299 I300Y54-I125 HydrophobicContact CE1-CD1 4.23Å; T86-I125 HydrophobicContact CG2-CD1 3.9Å; T86-I125 HydrophobicContact CG2-CG1 3.87Å; A87-I125 PolarHBondContact O-N 2.86Å; V88-I125 CarbonylContact C-O 3.55Å; V88-I125 WeakPolarHBondContact CA-O 3.3Å; V88-I125 HydrophobicContact CG1-CB 4.41Å; V88-I125 HydrophobicContact CG1-CG2 4.39Å; V88-I125 HydrophobicContact CG2-CB 4.31Å; V88-I125 HydrophobicContact CG2-CD1 4.39Å; I89-I125 PolarHBondContact N-O 3.35Å; I125-D143 HydrophobicContact CG1-CB 4.28Å; I125-L145 HydrophobicContact CG2-CD1 3.89Å; I125-L145 HydrophobicContact CG2-CG 4.22Å; I125-L296 HydrophobicContact CG2-CD2 4.3Å; I125-A299 HydrophobicContact CG2-CB 4.38Å; I125-I300 HydrophobicContact CD1-CG1 4.1Å
126T98.8Very high98.1Very high0 Ų032.6 Ų32.60%020%0.2CC..EExtended strand (participates in β ladder)trans-140.9174.6179.6-168.40000111I89 L129 V142 D143 N144 L145I89-T126 WeakPolarHBondContact O-CA 3.41Å; I89-T126 VanDerWaalsContact O-CB 3.28Å; I89-T126 WeakPolarHBondContact O-CB 3.37Å; I89-T126 PolarHBondContact O-OG1 2.91Å; T126-L129 HydrophobicContact CG2-CD1 3.83Å; T126-L129 HydrophobicContact CG2-CD2 3.97Å; T126-L129 HydrophobicContact CG2-CG 3.64Å; T126-V142 HydrophobicContact CG2-CG1 4.26Å; T126-D143 PolarHBondContact N-O 3.38Å; T126-N144 HydrophobicContact CG2-CB 4.28Å; T126-L145 WeakPolarHBondContact O-CB 3.43Å; T126-L145 WeakPolarHBondContact O-CG 3.28Å; T126-L145 PolarHBondContact O-N 2.87Å
127M98.5Very high98Very high0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans-132.1134.3-179.3-175.2169-73.400110.5L129 L145 A147 T249 H250 T274 I292 I295 L296M127-L129 PolarHBondContact O-N 3.19Å; M127-L145 WeakPolarHBondContact CA-O 3.45Å; M127-L145 HydrophobicContact CE-CB 4.11Å; M127-L145 HydrophobicContact CE-CD1 4.38Å; M127-A147 HydrophobicContact SD-CB 4.17Å; M127-T249 HydrophobicContact CG-CG2 4.07Å; M127-T249 HydrophobicContact SD-CG2 4.21Å; M127-H250 PolarHBondContact O-CE1 2.86Å; M127-H250 PolarHBondContact O-NE2 2.85Å; M127-H250 VanDerWaalsContact O-NE2 3.11Å; M127-T274 HydrophobicContact CB-CG2 4.33Å; M127-T274 HydrophobicContact CG-CG2 4.39Å; M127-T274 HydrophobicContact SD-CG2 3.76Å; M127-I292 HydrophobicContact CE-CB 3.98Å; M127-I292 HydrophobicContact CE-CG1 4.31Å; M127-I292 HydrophobicContact CE-CG2 4.29Å; M127-I292 HydrophobicContact SD-CB 4.08Å; M127-I292 HydrophobicContact SD-CG1 4.03Å; M127-I292 HydrophobicContact SD-CG2 3.97Å; M127-I295 HydrophobicContact CE-CB 4.28Å; M127-I295 HydrophobicContact CE-CG2 3.82Å; M127-L296 HydrophobicContact CE-CD2 4.44Å
128D97.9Very high98.1Very high8 Ų833 Ų334%0.04320%0.197CC..SBendtrans41.157.9176.6-74.7-58.4000114.7H130 L145 A147 R177 T249 H250D128-H130 PolarHBondContact O-N 2.81Å; D128-L145 PolarHBondContact N-O 3.3Å; D128-A147 VanDerWaalsContact OD2-CB 3.26Å; D128-A147 WeakPolarHBondContact OD2-CB 3.44Å; D128-A147 PolarHBondContact OD2-N 3Å; D128-R177 IonicContact OD1-NH1 2.76Å; D128-R177 PolarHBondContact OD1-NH1 2.93Å; D128-T249 HydrophobicContact CB-CG2 3.92Å; D128-T249 VanDerWaalsContact OD2-CG2 3.32Å; D128-T249 WeakPolarHBondContact OD2-CG2 3.28Å; D128-T249 PolarHBondContact OD2-OG1 2.89Å; D128-H250 PolarHBondContact O-NE2 3.44Å
129L98.1Very high98Very high11 Ų1134.7 Ų34.76%0.05820%0.201CC..  trans-46.6133170.9-77169.2000111.3F92 T126 M127 A131 I134 Q135 N144F92-L129 HydrophobicContact CB-CD2 3.52Å; F92-L129 HydrophobicContact CD1-CD2 4.17Å; F92-L129 HydrophobicContact CD2-CD2 4.22Å; F92-L129 HydrophobicContact CG-CD2 3.71Å; T126-L129 HydrophobicContact CG2-CD1 3.83Å; T126-L129 HydrophobicContact CG2-CD2 3.97Å; T126-L129 HydrophobicContact CG2-CG 3.64Å; M127-L129 PolarHBondContact O-N 3.19Å; L129-A131 PolarHBondContact O-N 2.85Å; L129-A131 VanDerWaalsContact O-N 3.12Å; L129-I134 HydrophobicContact CD1-CB 4.09Å; L129-I134 HydrophobicContact CD1-CG2 4.2Å; L129-I134 HydrophobicContact CD2-CB 4.19Å; L129-I134 HydrophobicContact CD2-CD1 4.16Å; L129-I134 HydrophobicContact CD2-CG2 3.86Å; L129-Q135 HydrophobicContact CD1-CG 3.86Å; L129-N144 WeakPolarHBondContact CB-OD1 3.32Å; L129-N144 HydrophobicContact CD1-CB 4.09Å; L129-N144 VanDerWaalsContact CG-OD1 3.28Å; L129-N144 WeakPolarHBondContact CG-OD1 3.35Å; L129-N144 PolarHBondContact N-OD1 2.65Å
130H96.3Very high98Very high69 Ų6935.8 Ų35.832%0.31921%0.205SC..SBendtrans-50.5-41.4178.9-177.162.1000112A95 D128 D221 M222A95-H130 HydrophobicContact CB-CB 3.78Å; D128-H130 PolarHBondContact O-N 2.81Å; H130-D221 IonicContact CE1-OD2 2.82Å; H130-D221 IonicContact CG-OD2 2.85Å; H130-D221 IonicContact ND1-OD1 2.73Å; H130-D221 IonicContact ND1-OD2 3.86Å; H130-D221 PolarHBondContact ND1-OD2 3.15Å; H130-M222 HydrophobicContact CB-CE 4.09Å
131A95.4Very high98Very high11 Ų1139.1 Ų39.19%0.09122%0.224CC..SBendtrans-129.4127.3171.100000110.1D98 L129 Q133 I134D98-A131 HydrophobicContact CB-CB 4.44Å; D98-A131 WeakPolarHBondContact OD2-CB 3.33Å; L129-A131 PolarHBondContact O-N 2.85Å; L129-A131 VanDerWaalsContact O-N 3.12Å; A131-Q133 PolarHBondContact O-N 3.48Å; A131-Q133 VanDerWaalsContact O-N 3.07Å; A131-I134 HydrophobicContact CB-CD1 4.35Å; A131-I134 HydrophobicContact CB-CG1 4.38Å; A131-I134 WeakPolarHBondContact O-CB 3.4Å; A131-I134 WeakPolarHBondContact O-CG1 3.39Å; A131-I134 PolarHBondContact O-N 2.95Å
132S94.9Very high98Very high67 Ų6739.8 Ų39.847%0.46923%0.228SC..G310 helixtrans-55.5-27.5177.457.30000113.7I134 Q135S132-I134 PolarHBondContact O-N 2.76Å; S132-Q135 WeakPolarHBondContact O-CB 3.36Å; S132-Q135 WeakPolarHBondContact O-CG 3.33Å; S132-Q135 PolarHBondContact O-N 3.28Å
133Q97.5Very high98Very high126 Ų12639 Ų3959%0.58922%0.224SC*.G310 helixtrans-64.6-19.7180-67.478-1.200112.8A131 Q135 G136A131-Q133 PolarHBondContact O-N 3.48Å; A131-Q133 VanDerWaalsContact O-N 3.07Å; Q133-Q135 PolarHBondContact O-N 2.97Å; Q133-G136 PolarHBondContact O-N 3.23Å
134I98.3Very high98Very high0 Ų038.7 Ų38.70%022%0.222CC..G310 helixtrans-59.5-27.3175.1-65.5167000110.9F92 A95 D98 A109 L129 A131 S132 G136 F137 F138F92-I134 HydrophobicContact CD1-CG2 4.34Å; F92-I134 HydrophobicContact CE1-CG2 4.07Å; F92-I134 HydrophobicContact CZ-CG2 4.41Å; A95-I134 HydrophobicContact CB-CD1 3.95Å; D98-I134 HydrophobicContact CB-CD1 4.29Å; D98-I134 HydrophobicContact CB-CG1 4.15Å; A109-I134 HydrophobicContact CB-CD1 4.45Å; A109-I134 HydrophobicContact CB-CG1 4.47Å; L129-I134 HydrophobicContact CD1-CB 4.09Å; L129-I134 HydrophobicContact CD1-CG2 4.2Å; L129-I134 HydrophobicContact CD2-CB 4.19Å; L129-I134 HydrophobicContact CD2-CD1 4.16Å; L129-I134 HydrophobicContact CD2-CG2 3.86Å; A131-I134 HydrophobicContact CB-CD1 4.35Å; A131-I134 HydrophobicContact CB-CG1 4.38Å; A131-I134 WeakPolarHBondContact O-CB 3.4Å; A131-I134 WeakPolarHBondContact O-CG1 3.39Å; A131-I134 PolarHBondContact O-N 2.95Å; S132-I134 PolarHBondContact O-N 2.76Å; I134-G136 PolarHBondContact O-N 2.87Å; I134-F137 HydrophobicContact CB-CD2 4.23Å; I134-F137 HydrophobicContact CB-CE2 4.45Å; I134-F137 HydrophobicContact CG1-CD2 4.15Å; I134-F137 HydrophobicContact CG1-CE2 3.9Å; I134-F137 HydrophobicContact CG2-CD2 4.12Å; I134-F137 VanDerWaalsContact O-CB 3.25Å; I134-F137 WeakPolarHBondContact O-CB 3.22Å; I134-F137 PolarHBondContact O-N 3.13Å; I134-F138 HydrophobicContact CG2-CE2 4.39Å
135Q98.2Very high97.9Very high69 Ų6938.7 Ų38.732%0.32222%0.222SC..G310 helixtrans-56.6-40.8171.7-66.4-17954.900111.7L129 S132 Q133 F137 F138 V142 N144L129-Q135 HydrophobicContact CD1-CG 3.86Å; S132-Q135 WeakPolarHBondContact O-CB 3.36Å; S132-Q135 WeakPolarHBondContact O-CG 3.33Å; S132-Q135 PolarHBondContact O-N 3.28Å; Q133-Q135 PolarHBondContact O-N 2.97Å; Q135-F137 PolarHBondContact O-N 3.41Å; Q135-F138 PolarHBondContact O-N 3.19Å; Q135-V142 HydrophobicContact CB-CB 4.44Å; Q135-V142 HydrophobicContact CG-CB 4.21Å; Q135-V142 HydrophobicContact CG-CG1 3.98Å; Q135-N144 HydrophobicContact CG-CB 4.27Å
136G98.3Very high97.9Very high63 Ų6342.3 Ų42.365%0.64924%0.237SC*.G310 helixtrans-752.1176.500000114.6Q133 I134 F138Q133-G136 PolarHBondContact O-N 3.23Å; I134-G136 PolarHBondContact O-N 2.87Å; G136-F138 VanDerWaalsContact C-N 3.31Å
137F98.6Very high97.8Very high34 Ų3442.3 Ų42.315%0.14924%0.237CC..G310 helixtrans-79.3-20.4168.8-67.3-9.2000112.5D98 I107 A109 K110 A113 I134 Q135D98-F137 HydrophobicContact CB-CE2 4.24Å; D98-F137 HydrophobicContact CB-CZ 4.38Å; D98-F137 WeakPolarHBondContact O-CZ 3.38Å; I107-F137 HydrophobicContact CG2-CE2 4.06Å; I107-F137 HydrophobicContact CG2-CZ 4.03Å; A109-F137 HydrophobicContact CB-CD2 4.16Å; A109-F137 HydrophobicContact CB-CE2 3.87Å; K110-F137 HydrophobicContact CB-CD1 4.47Å; K110-F137 HydrophobicContact CB-CD2 3.87Å; K110-F137 HydrophobicContact CB-CE2 4.14Å; K110-F137 HydrophobicContact CB-CG 4.06Å; K110-F137 HydrophobicContact CD-CB 3.62Å; K110-F137 HydrophobicContact CD-CD1 4.13Å; K110-F137 HydrophobicContact CD-CD2 4.46Å; K110-F137 HydrophobicContact CD-CG 3.83Å; K110-F137 WeakPolarHBondContact CE-O 3.16Å; K110-F137 PolarHBondContact NZ-O 2.79Å; K110-F137 VanDerWaalsContact NZ-O 3.16Å; A113-F137 HydrophobicContact CB-CB 3.77Å; I134-F137 HydrophobicContact CB-CD2 4.23Å; I134-F137 HydrophobicContact CB-CE2 4.45Å; I134-F137 HydrophobicContact CG1-CD2 4.15Å; I134-F137 HydrophobicContact CG1-CE2 3.9Å; I134-F137 HydrophobicContact CG2-CD2 4.12Å; I134-F137 VanDerWaalsContact O-CB 3.25Å; I134-F137 WeakPolarHBondContact O-CB 3.22Å; I134-F137 PolarHBondContact O-N 3.13Å; Q135-F137 PolarHBondContact O-N 3.41Å
138F98.6Very high97.7Very high12 Ų1243.5 Ų43.55%0.05324%0.242CC..  trans-99.8146.2177.6-65.7-90.1000111.1F92 A113 L116 I124 I134 Q135 G136 I140 V142F92-F138 AromaticContact CE2-CE2 3.97Å; F92-F138 HydrophobicContact CE2-CE2 3.97Å; F92-F138 AromaticContact CE2-CZ 3.68Å; F92-F138 HydrophobicContact CE2-CZ 3.68Å; F92-F138 AromaticContact CZ-CE2 3.84Å; F92-F138 HydrophobicContact CZ-CE2 3.84Å; F92-F138 AromaticContact CZ-CZ 3.63Å; F92-F138 HydrophobicContact CZ-CZ 3.63Å; A113-F138 VanDerWaalsContact CA-CE1 3.44Å; A113-F138 VanDerWaalsContact CA-CZ 3.44Å; A113-F138 HydrophobicContact CB-CD1 3.95Å; A113-F138 HydrophobicContact CB-CD2 3.89Å; A113-F138 HydrophobicContact CB-CE1 3.62Å; A113-F138 HydrophobicContact CB-CE2 3.54Å; A113-F138 HydrophobicContact CB-CG 4.1Å; A113-F138 HydrophobicContact CB-CZ 3.41Å; A113-F138 VanDerWaalsContact CB-CZ 3.41Å; L116-F138 HydrophobicContact CB-CE1 4.09Å; L116-F138 HydrophobicContact CD1-CE1 4.05Å; L116-F138 HydrophobicContact CD1-CZ 3.91Å; I124-F138 HydrophobicContact CD1-CE1 4.02Å; I124-F138 HydrophobicContact CD1-CZ 4.45Å; I124-F138 HydrophobicContact CG1-CD1 4.04Å; I124-F138 HydrophobicContact CG1-CE1 3.72Å; I124-F138 HydrophobicContact CG1-CZ 4.02Å; I134-F138 HydrophobicContact CG2-CE2 4.39Å; Q135-F138 PolarHBondContact O-N 3.19Å; G136-F138 VanDerWaalsContact C-N 3.31Å; F138-I140 HydrophobicContact CB-CG1 4Å; F138-I140 HydrophobicContact CD1-CD1 4.08Å; F138-I140 HydrophobicContact CD1-CG1 3.89Å; F138-I140 HydrophobicContact CG-CG1 4.35Å; F138-V142 HydrophobicContact CB-CG2 3.74Å; F138-V142 HydrophobicContact CD2-CG2 3.7Å; F138-V142 HydrophobicContact CE2-CG2 4.46Å; F138-V142 HydrophobicContact CG-CG2 3.79Å
139D98.2Very high97.6Very high161 Ų16143.6 Ų43.686%0.86124%0.243SC*.SBendtrans-95.3-10.9167.3-59.6-52.9000111.8
140I98.4Very high97.6Very high39 Ų3943.5 Ų43.520%0.224%0.244CC..SBendtrans-88.8157.5172.160.1175.7000110.6A121 I124 F138A121-I140 HydrophobicContact CB-CD1 4.11Å; A121-I140 WeakPolarHBondContact O-CD1 3.49Å; I124-I140 HydrophobicContact CD1-CD1 4.06Å; I124-I140 HydrophobicContact CG1-CD1 3.91Å; I124-I140 HydrophobicContact CG1-CG1 4.48Å; F138-I140 HydrophobicContact CB-CG1 4Å; F138-I140 HydrophobicContact CD1-CD1 4.08Å; F138-I140 HydrophobicContact CD1-CG1 3.89Å; F138-I140 HydrophobicContact CG-CG1 4.35Å
141P98.4Very high97.7Very high82 Ų8240.4 Ų40.453%0.53223%0.23SC..  trans-55.9144.5174.6-24.334.7000112.2H123 I124H123-P141 PolarHBondContact CD2-O 3.28Å; I124-P141 PolarHBondContact N-O 3.28Å; I124-P141 VanDerWaalsContact N-O 3.11Å
142V98.6Very high97.8Very high19 Ų1940.3 Ų40.312%0.11523%0.228CC..EExtended strand (participates in β ladder)trans-134.7113.1175-177.50000108.9I124 T126 Q135 F138 N144I124-V142 HydrophobicContact CB-CB 4.47Å; I124-V142 HydrophobicContact CB-CG1 4.16Å; I124-V142 HydrophobicContact CB-CG2 4.13Å; I124-V142 HydrophobicContact CG1-CG2 4.29Å; I124-V142 HydrophobicContact CG2-CG1 4.31Å; I124-V142 CarbonylContact O-C 3.58Å; I124-V142 WeakPolarHBondContact O-CA 3.5Å; T126-V142 HydrophobicContact CG2-CG1 4.26Å; Q135-V142 HydrophobicContact CB-CB 4.44Å; Q135-V142 HydrophobicContact CG-CB 4.21Å; Q135-V142 HydrophobicContact CG-CG1 3.98Å; F138-V142 HydrophobicContact CB-CG2 3.74Å; F138-V142 HydrophobicContact CD2-CG2 3.7Å; F138-V142 HydrophobicContact CE2-CG2 4.46Å; F138-V142 HydrophobicContact CG-CG2 3.79Å; V142-N144 PolarHBondContact O-N 2.54Å
143D98.4Very high97.9Very high35 Ų3541.9 Ų41.919%0.18723%0.226CC..EExtended strand (participates in β ladder)trans-88.698.4169.3-75.4-31.2000109.2H123 I124 I125 T126 L145 T303 V309H123-D143 IonicContact CE1-OD2 3.09Å; H123-D143 PolarHBondContact CE1-OD2 3.27Å; H123-D143 IonicContact NE2-OD2 3.84Å; H123-D143 PolarHBondContact NE2-OD2 2.86Å; H123-D143 VanDerWaalsContact NE2-OD2 3.14Å; I124-D143 PolarHBondContact O-N 3.07Å; I125-D143 HydrophobicContact CG1-CB 4.28Å; T126-D143 PolarHBondContact N-O 3.38Å; D143-L145 PolarHBondContact O-N 3.42Å; D143-T303 PolarHBondContact OD2-OG1 3.45Å; D143-V309 HydrophobicContact CB-CG1 4.42Å
144N98.1Very high97.9Very high6 Ų637.1 Ų37.13%0.03220%0.203CC..EExtended strand (participates in β ladder)trans-87.3100.2171.8175.673.2000110.5T126 L129 Q135 V142 Y146 F313T126-N144 HydrophobicContact CG2-CB 4.28Å; L129-N144 WeakPolarHBondContact CB-OD1 3.32Å; L129-N144 HydrophobicContact CD1-CB 4.09Å; L129-N144 VanDerWaalsContact CG-OD1 3.28Å; L129-N144 WeakPolarHBondContact CG-OD1 3.35Å; L129-N144 PolarHBondContact N-OD1 2.65Å; Q135-N144 HydrophobicContact CG-CB 4.27Å; V142-N144 PolarHBondContact O-N 2.54Å; N144-Y146 WeakPolarHBondContact ND2-CE1 3.3Å; N144-Y146 PolarHBondContact ND2-OH 2.93Å; N144-Y146 WeakPolarHBondContact O-CE2 3.29Å; N144-F313 WeakPolarHBondContact O-CE1 3.41Å
145L98.1Very high97.9Very high0 Ų037.1 Ų37.10%020%0.203CC..EExtended strand (participates in β ladder)trans-74.8163176.7-49.6-176.6000111.2I125 T126 M127 D128 D143 I295 L296 A299 V309 F313I125-L145 HydrophobicContact CG2-CD1 3.89Å; I125-L145 HydrophobicContact CG2-CG 4.22Å; T126-L145 WeakPolarHBondContact O-CB 3.43Å; T126-L145 WeakPolarHBondContact O-CG 3.28Å; T126-L145 PolarHBondContact O-N 2.87Å; M127-L145 WeakPolarHBondContact CA-O 3.45Å; M127-L145 HydrophobicContact CE-CB 4.11Å; M127-L145 HydrophobicContact CE-CD1 4.38Å; D128-L145 PolarHBondContact N-O 3.3Å; D143-L145 PolarHBondContact O-N 3.42Å; L145-I295 HydrophobicContact CD1-CG2 3.94Å; L145-L296 HydrophobicContact CD1-CD2 3.81Å; L145-A299 HydrophobicContact CD1-CB 3.63Å; L145-A299 HydrophobicContact CD2-CB 4.07Å; L145-A299 HydrophobicContact CG-CB 4.47Å; L145-V309 HydrophobicContact CD2-CG1 3.79Å; L145-F313 HydrophobicContact CD2-CE1 3.91Å
146Y97.3Very high97.9Very high76 Ų7639.1 Ų39.130%0.29821%0.208SC..  trans-125.1134.3179.7-59.8-79000110.4N144 P149 F313N144-Y146 WeakPolarHBondContact ND2-CE1 3.3Å; N144-Y146 PolarHBondContact ND2-OH 2.93Å; N144-Y146 WeakPolarHBondContact O-CE2 3.29Å; Y146-P149 WeakPolarHBondContact O-CD 3.35Å; Y146-F313 HydrophobicContact CD2-CB 4.01Å; Y146-F313 AromaticContact CD2-CD1 3.74Å; Y146-F313 HydrophobicContact CD2-CD1 3.74Å; Y146-F313 HydrophobicContact CD2-CE1 4.39Å; Y146-F313 AromaticContact CD2-CG 3.92Å; Y146-F313 HydrophobicContact CD2-CG 3.92Å; Y146-F313 HydrophobicContact CE2-CB 4.37Å; Y146-F313 HydrophobicContact CE2-CD1 4.03Å; Y146-F313 HydrophobicContact CE2-CD2 4.36Å; Y146-F313 HydrophobicContact CE2-CE1 4.4Å; Y146-F313 HydrophobicContact CE2-CG 4.02Å
147A97.4Very high97.9Very high0 Ų042.3 Ų42.30%021%0.206CC..SBendtrans-78.3-9.7168.800000112.3M127 D128 A150 V151 T249 T272M127-A147 HydrophobicContact SD-CB 4.17Å; D128-A147 VanDerWaalsContact OD2-CB 3.26Å; D128-A147 WeakPolarHBondContact OD2-CB 3.44Å; D128-A147 PolarHBondContact OD2-N 3Å; A147-A150 CarbonylContact O-C 3.52Å; A147-A150 WeakPolarHBondContact O-CA 3.45Å; A147-A150 WeakPolarHBondContact O-CB 3.38Å; A147-A150 PolarHBondContact O-N 3.48Å; A147-V151 HydrophobicContact CB-CG2 4.37Å; A147-V151 WeakPolarHBondContact O-CG2 3.33Å; A147-V151 PolarHBondContact O-N 3.3Å; A147-T249 HydrophobicContact CB-CG2 3.83Å; A147-T272 HydrophobicContact CB-CG2 3.96Å
148E97.1Very high97.9Very high26 Ų2644.3 Ų44.312%0.12122%0.218CC..Hα-helixtrans-46.1-47.9-178.6173.9178.4-162.200113.7A150 V151 L152 S180 I181 R184E148-A150 VanDerWaalsContact C-N 3.32Å; E148-A150 PolarHBondContact O-N 3.27Å; E148-V151 PolarHBondContact O-N 3.44Å; E148-L152 HydrophobicContact CG-CD1 3.9Å; E148-L152 HydrophobicContact CG-CG 4.32Å; E148-L152 WeakPolarHBondContact O-CB 3.44Å; E148-L152 WeakPolarHBondContact O-CG 3.3Å; E148-L152 PolarHBondContact O-N 3.45Å; E148-S180 PolarHBondContact OE1-OG 3.01Å; E148-I181 HydrophobicContact CG-CG1 4.09Å; E148-R184 VanDerWaalsContact CD-CZ 3.47Å; E148-R184 VanDerWaalsContact OE1-CD 3.23Å; E148-R184 WeakPolarHBondContact OE1-CD 3.47Å; E148-R184 IonicContact OE1-CZ 3.61Å; E148-R184 IonicContact OE1-NE 2.76Å; E148-R184 PolarHBondContact OE1-NE 3.49Å; E148-R184 IonicContact OE1-NH1 3.71Å; E148-R184 IonicContact OE1-NH2 2.79Å; E148-R184 IonicContact OE2-CZ 2.74Å; E148-R184 IonicContact OE2-NH1 3.73Å; E148-R184 IonicContact OE2-NH2 3.57Å; E148-R184 PolarHBondContact OE2-NH2 2.77Å
149P95.7Very high97.9Very high9 Ų943.8 Ų43.86%0.05822%0.216CC..Hα-helixtrans-59.5-40.1176.6-2536.7000113.4Y146 K153 V316Y146-P149 WeakPolarHBondContact O-CD 3.35Å; P149-K153 PolarHBondContact O-N 2.84Å; P149-K153 VanDerWaalsContact O-N 3.07Å; P149-V316 HydrophobicContact CB-CG2 3.51Å; P149-V316 VanDerWaalsContact O-CG2 3.27Å; P149-V316 WeakPolarHBondContact O-CG2 3.37Å
150A97.2Very high97.9Very high9 Ų940.5 Ų40.57%0.07421%0.205CC..Hα-helixtrans-72.8-37.217900000111.9A147 E148 K153 W154 I290 I295 V316A147-A150 CarbonylContact O-C 3.52Å; A147-A150 WeakPolarHBondContact O-CA 3.45Å; A147-A150 WeakPolarHBondContact O-CB 3.38Å; A147-A150 PolarHBondContact O-N 3.48Å; E148-A150 VanDerWaalsContact C-N 3.32Å; E148-A150 PolarHBondContact O-N 3.27Å; A150-K153 PolarHBondContact O-N 2.55Å; A150-W154 WeakPolarHBondContact O-CB 3.32Å; A150-W154 PolarHBondContact O-N 2.67Å; A150-I290 HydrophobicContact CB-CG2 3.86Å; A150-I295 HydrophobicContact CB-CD1 4.16Å; A150-V316 HydrophobicContact CB-CG2 4.35Å
151V97.9Very high97.8Very high5 Ų541.9 Ų41.93%0.0321%0.211CC..Hα-helixtrans-62.1-46.7172.8168.20000110.8A147 E148 K153 W154 I155 I247 I290A147-V151 HydrophobicContact CB-CG2 4.37Å; A147-V151 WeakPolarHBondContact O-CG2 3.33Å; A147-V151 PolarHBondContact O-N 3.3Å; E148-V151 PolarHBondContact O-N 3.44Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 3.38Å; V151-W154 PolarHBondContact O-N 3.33Å; V151-I155 HydrophobicContact CG1-CD1 3.77Å; V151-I155 HydrophobicContact CG1-CG1 4.37Å; V151-I155 VanDerWaalsContact O-CG1 3.3Å; V151-I155 WeakPolarHBondContact O-CG1 3.44Å; V151-I155 PolarHBondContact O-N 3.07Å; V151-I247 HydrophobicContact CB-CG2 4.4Å; V151-I247 HydrophobicContact CG1-CD1 4Å; V151-I247 HydrophobicContact CG1-CG2 3.84Å; V151-I247 HydrophobicContact CG2-CG2 3.74Å; V151-I290 HydrophobicContact CG2-CD1 4.35Å
152L97.8Very high97.8Very high8 Ų839.7 Ų39.74%0.04219%0.192CC..Hα-helixtrans-60.1-42.2176.7-71.1167.9000111.8E148 R156 I181 R184 L185E148-L152 HydrophobicContact CG-CD1 3.9Å; E148-L152 HydrophobicContact CG-CG 4.32Å; E148-L152 WeakPolarHBondContact O-CB 3.44Å; E148-L152 WeakPolarHBondContact O-CG 3.3Å; E148-L152 PolarHBondContact O-N 3.45Å; L152-R156 WeakPolarHBondContact O-CG 3.18Å; L152-R156 PolarHBondContact O-N 3.2Å; L152-I181 HydrophobicContact CD2-CG2 3.94Å; L152-R184 HydrophobicContact CD1-CB 4.07Å; L152-R184 HydrophobicContact CD2-CB 4.2Å; L152-L185 HydrophobicContact CD2-CD1 3.97Å; L152-L185 HydrophobicContact CD2-CD2 3.56Å; L152-L185 HydrophobicContact CD2-CG 3.46Å; L152-L185 VanDerWaalsContact CD2-CG 3.46Å
153K97.6Very high97.8Very high100 Ų10046.8 Ų46.844%0.43522%0.216SC..Hα-helixtrans-60.6-50.9174.4-177.9-178.3175.4-173.10110.7P149 A150 V151 I155 R156 E157P149-K153 PolarHBondContact O-N 2.84Å; P149-K153 VanDerWaalsContact O-N 3.07Å; A150-K153 PolarHBondContact O-N 2.55Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 3.38Å; K153-I155 PolarHBondContact O-N 2.75Å; K153-R156 PolarHBondContact O-N 3.28Å; K153-E157 WeakPolarHBondContact CE-OE1 3.45Å; K153-E157 HydrophobicContact CG-CG 4.49Å; K153-E157 VanDerWaalsContact CG-OE1 3.3Å; K153-E157 WeakPolarHBondContact CG-OE1 3.38Å; K153-E157 WeakPolarHBondContact O-CG 3.36Å; K153-E157 PolarHBondContact O-N 2.86Å; K153-E157 VanDerWaalsContact O-N 3.08Å
154W98.5Very high97.7Very high26 Ų2650.6 Ų50.610%0.09824%0.237CC..Hα-helixtrans-59-45.5-180-175.394.5000111.9A150 V151 R156 E157 N158 I159 Y245 I247 V270 Q288 I290A150-W154 WeakPolarHBondContact O-CB 3.32Å; A150-W154 PolarHBondContact O-N 2.67Å; V151-W154 PolarHBondContact O-N 3.33Å; W154-R156 PolarHBondContact O-N 2.81Å; W154-E157 PolarHBondContact O-N 3.15Å; W154-N158 HydrophobicContact CD2-CB 4.17Å; W154-N158 HydrophobicContact CE3-CB 4.46Å; W154-N158 HydrophobicContact CH2-CB 4.01Å; W154-N158 HydrophobicContact CZ2-CB 3.7Å; W154-N158 HydrophobicContact CZ3-CB 4.39Å; W154-N158 PolarHBondContact NE1-ND2 3.12Å; W154-N158 WeakPolarHBondContact O-CB 3.35Å; W154-N158 PolarHBondContact O-N 3.26Å; W154-N158 PolarHBondContact O-ND2 3.45Å; W154-I159 HydrophobicContact CH2-CD1 4.36Å; W154-I159 HydrophobicContact CH2-CG1 4.28Å; W154-I159 HydrophobicContact CZ3-CD1 3.78Å; W154-I159 HydrophobicContact CZ3-CG1 3.99Å; W154-Y245 AromaticContact CH2-CD1 3.93Å; W154-Y245 HydrophobicContact CH2-CD1 3.93Å; W154-Y245 HydrophobicContact CH2-CE1 4.08Å; W154-Y245 HydrophobicContact CZ3-CD1 4.46Å; W154-I247 HydrophobicContact CE3-CD1 3.85Å; W154-I247 HydrophobicContact CZ3-CD1 3.94Å; W154-I247 HydrophobicContact CZ3-CG1 4.49Å; W154-V270 HydrophobicContact CD2-CG1 4.07Å; W154-V270 HydrophobicContact CD2-CG2 4.02Å; W154-V270 HydrophobicContact CE3-CG2 4.01Å; W154-V270 HydrophobicContact CG-CG1 4.33Å; W154-V270 HydrophobicContact CH2-CG2 3.34Å; W154-V270 HydrophobicContact CZ2-CG2 3.29Å; W154-V270 HydrophobicContact CZ3-CG2 3.69Å; W154-Q288 VanDerWaalsContact CZ2-OE1 3.26Å; W154-I290 HydrophobicContact CB-CD1 3.86Å; W154-I290 HydrophobicContact CB-CG1 4.4Å; W154-I290 HydrophobicContact CG-CD1 4.04Å; W154-I290 HydrophobicContact CG-CG1 4.28Å
155I98.5Very high97.7Very high0 Ų050.3 Ų50.30%024%0.235CC..Hα-helixtrans-57.5-48.7178.1-70.3167.6000110.7V151 K153 E157 N158 I159 W162 I181 L185 I217 I247V151-I155 HydrophobicContact CG1-CD1 3.77Å; V151-I155 HydrophobicContact CG1-CG1 4.37Å; V151-I155 VanDerWaalsContact O-CG1 3.3Å; V151-I155 WeakPolarHBondContact O-CG1 3.44Å; V151-I155 PolarHBondContact O-N 3.07Å; K153-I155 PolarHBondContact O-N 2.75Å; I155-E157 VanDerWaalsContact C-N 3.29Å; I155-E157 PolarHBondContact O-N 2.81Å; I155-N158 PolarHBondContact O-N 3.09Å; I155-I159 HydrophobicContact CG2-CD1 4.49Å; I155-I159 WeakPolarHBondContact O-CB 3.41Å; I155-I159 PolarHBondContact O-N 2.84Å; I155-W162 HydrophobicContact CG2-CB 3.66Å; I155-W162 HydrophobicContact CG2-CG 4.48Å; I155-I181 HydrophobicContact CD1-CG2 4.39Å; I155-L185 HydrophobicContact CD1-CD1 4.03Å; I155-L185 HydrophobicContact CG2-CD1 4.02Å; I155-I217 HydrophobicContact CD1-CD1 4.33Å; I155-I217 HydrophobicContact CG1-CD1 4.3Å; I155-I217 HydrophobicContact CG2-CD1 3.98Å; I155-I247 HydrophobicContact CD1-CD1 3.81Å; I155-I247 HydrophobicContact CG1-CD1 3.53Å
156R98.1Very high97.7Very high112 Ų11250.3 Ų50.342%0.42324%0.235SC..Hα-helixtrans-65.3-32.8-177.6-71.5177.1-175.8131.1-1.8113.1L152 K153 W154 W162 R184 L185L152-R156 WeakPolarHBondContact O-CG 3.18Å; L152-R156 PolarHBondContact O-N 3.2Å; K153-R156 PolarHBondContact O-N 3.28Å; W154-R156 PolarHBondContact O-N 2.81Å; R156-W162 HydrophobicContact CG-CD2 4.1Å; R156-W162 HydrophobicContact CG-CE3 4.44Å; R156-W162 HydrophobicContact CG-CH2 4.45Å; R156-W162 HydrophobicContact CG-CZ2 4.09Å; R156-R184 PolarHBondContact NH2-O 3.12Å; R156-L185 HydrophobicContact CG-CD2 4.16Å
157E98Very high97.8Very high130 Ų13046.7 Ų46.761%0.60722%0.221SC*.Hα-helixtrans-85.4-27.1-177.3-70.7173.4178.400113K153 W154 I155K153-E157 WeakPolarHBondContact CE-OE1 3.45Å; K153-E157 HydrophobicContact CG-CG 4.49Å; K153-E157 VanDerWaalsContact CG-OE1 3.3Å; K153-E157 WeakPolarHBondContact CG-OE1 3.38Å; K153-E157 WeakPolarHBondContact O-CG 3.36Å; K153-E157 PolarHBondContact O-N 2.86Å; K153-E157 VanDerWaalsContact O-N 3.08Å; W154-E157 PolarHBondContact O-N 3.15Å; I155-E157 VanDerWaalsContact C-N 3.29Å; I155-E157 PolarHBondContact O-N 2.81Å
158N98.4Very high97.9Very high76 Ų7646.7 Ų46.741%0.40622%0.221SC..Hα-helixtrans-117-17.2-168.4-63.6-86.8000114.9W154 I155W154-N158 HydrophobicContact CD2-CB 4.17Å; W154-N158 HydrophobicContact CE3-CB 4.46Å; W154-N158 HydrophobicContact CH2-CB 4.01Å; W154-N158 HydrophobicContact CZ2-CB 3.7Å; W154-N158 HydrophobicContact CZ3-CB 4.39Å; W154-N158 PolarHBondContact NE1-ND2 3.12Å; W154-N158 WeakPolarHBondContact O-CB 3.35Å; W154-N158 PolarHBondContact O-N 3.26Å; W154-N158 PolarHBondContact O-ND2 3.45Å; I155-N158 PolarHBondContact O-N 3.09Å
159I98.3Very high97.9Very high1 Ų145.4 Ų45.41%0.00522%0.215CC..  trans-113.2104178.3-58.2178.8000108.8W154 I155 E161 W162 V215 I217 Y245W154-I159 HydrophobicContact CH2-CD1 4.36Å; W154-I159 HydrophobicContact CH2-CG1 4.28Å; W154-I159 HydrophobicContact CZ3-CD1 3.78Å; W154-I159 HydrophobicContact CZ3-CG1 3.99Å; I155-I159 HydrophobicContact CG2-CD1 4.49Å; I155-I159 WeakPolarHBondContact O-CB 3.41Å; I155-I159 PolarHBondContact O-N 2.84Å; I159-E161 PolarHBondContact O-N 3.44Å; I159-W162 HydrophobicContact CB-CB 4.32Å; I159-W162 HydrophobicContact CG2-CB 4.38Å; I159-W162 WeakPolarHBondContact O-CB 3.31Å; I159-W162 PolarHBondContact O-N 3.18Å; I159-W162 VanDerWaalsContact O-N 3.1Å; I159-V215 HydrophobicContact CG2-CG1 4.11Å; I159-I217 HydrophobicContact CD1-CD1 3.49Å; I159-I217 VanDerWaalsContact CD1-CD1 3.49Å; I159-I217 HydrophobicContact CD1-CG1 3.94Å; I159-Y245 HydrophobicContact CD1-CD1 4.08Å; I159-Y245 HydrophobicContact CD1-CD2 3.67Å; I159-Y245 HydrophobicContact CD1-CE1 4.25Å; I159-Y245 HydrophobicContact CD1-CE2 3.85Å; I159-Y245 HydrophobicContact CD1-CG 3.78Å; I159-Y245 HydrophobicContact CG1-CD1 4.45Å; I159-Y245 HydrophobicContact CG1-CD2 4.29Å; I159-Y245 HydrophobicContact CG1-CE1 4.12Å; I159-Y245 HydrophobicContact CG1-CE2 3.95Å; I159-Y245 HydrophobicContact CG2-CE2 4.31Å
160S97.6Very high97.9Very high91 Ų9145 Ų4564%0.63621%0.213SC*.THydrogen-bonded Turntrans-53.5-40.1-179.326.50000113.4W162S160-W162 VanDerWaalsContact C-N 3.3Å; S160-W162 PolarHBondContact O-N 3.33Å
161E97.3Very high97.6Very high69 Ų6947.6 Ų47.632%0.32223%0.225SC..THydrogen-bonded Turntrans-90.515-175.6-56.787.1160.700113.1I159 R163 N164 C165 V215 R243I159-E161 PolarHBondContact O-N 3.44Å; E161-R163 PolarHBondContact O-N 3.4Å; E161-N164 PolarHBondContact O-N 3.1Å; E161-C165 PolarHBondContact O-N 2.99Å; E161-V215 HydrophobicContact CB-CG2 3.93Å; E161-V215 HydrophobicContact CG-CG2 4.41Å; E161-R243 IonicContact OE1-CZ 2.66Å; E161-R243 IonicContact OE1-NH2 3.52Å; E161-R243 PolarHBondContact OE1-NH2 3.09Å; E161-R243 IonicContact OE2-NH2 3.66Å
162W98.2Very high97.2Very high36 Ų3650 Ų5014%0.13625%0.245CC..G310 helixtrans-54.8-29.3-174.273.7-98.5000113.5I155 R156 I159 S160 N164 C165 L185 V187I155-W162 HydrophobicContact CG2-CB 3.66Å; I155-W162 HydrophobicContact CG2-CG 4.48Å; R156-W162 HydrophobicContact CG-CD2 4.1Å; R156-W162 HydrophobicContact CG-CE3 4.44Å; R156-W162 HydrophobicContact CG-CH2 4.45Å; R156-W162 HydrophobicContact CG-CZ2 4.09Å; I159-W162 HydrophobicContact CB-CB 4.32Å; I159-W162 HydrophobicContact CG2-CB 4.38Å; I159-W162 WeakPolarHBondContact O-CB 3.31Å; I159-W162 PolarHBondContact O-N 3.18Å; I159-W162 VanDerWaalsContact O-N 3.1Å; S160-W162 VanDerWaalsContact C-N 3.3Å; S160-W162 PolarHBondContact O-N 3.33Å; W162-N164 PolarHBondContact O-N 2.74Å; W162-C165 PolarHBondContact O-N 3Å; W162-C165 PolarHBondContact O-SG 3.28Å; W162-L185 HydrophobicContact CE3-CB 4.4Å; W162-L185 HydrophobicContact CE3-CD2 3.9Å; W162-L185 HydrophobicContact CZ3-CB 4.28Å; W162-L185 HydrophobicContact CZ3-CD2 3.93Å; W162-L185 WeakPolarHBondContact CZ3-O 3.23Å; W162-V187 WeakPolarHBondContact O-CG1 3.41Å
163R98.1Very high96.8Very high167 Ų16753 Ų5363%0.6328%0.278SS*.G310 helixtrans-67.2-19.6179.4-67.7-175.2178.485.4-2.2114.1E161E161-R163 PolarHBondContact O-N 3.4Å
164N96.8Very high96.6Very high115 Ų11548.4 Ų48.462%0.61526%0.259SS*.G310 helixtrans-12315.9-179.5-66.2-27.2000111.7E161 W162 R214E161-N164 PolarHBondContact O-N 3.1Å; W162-N164 PolarHBondContact O-N 2.74Å; N164-R214 WeakPolarHBondContact O-CG 3.35Å
165C98.3Very high96.4Very high0 Ų048.4 Ų48.40%027%0.265CS..  trans-76.7171.6178.177.30000111.5E161 W162 V215 I217E161-C165 PolarHBondContact O-N 2.99Å; W162-C165 PolarHBondContact O-N 3Å; W162-C165 PolarHBondContact O-SG 3.28Å; C165-V215 CarbonylContact C-O 3.47Å; C165-V215 VanDerWaalsContact CA-O 3.22Å; C165-V215 WeakPolarHBondContact CA-O 3.48Å; C165-V215 HydrophobicContact CB-CB 4.13Å; C165-V215 HydrophobicContact CB-CG1 4.49Å; C165-V215 VanDerWaalsContact CB-O 3.26Å; C165-V215 WeakPolarHBondContact CB-O 3.37Å; C165-I217 HydrophobicContact CB-CD1 4.11Å; C165-I217 HydrophobicContact CB-CG1 4.43Å
166T98.8Very high96.2Very high0 Ų057.1 Ų57.10%030%0.303CS..EExtended strand (participates in β ladder)trans-121125.3168.9-56.50000108.9V168 D188 A190 D210 V211 R214 V215 A216 I217T166-V168 HydrophobicContact CG2-CG2 4.3Å; T166-D188 WeakPolarHBondContact CA-O 3.41Å; T166-D188 HydrophobicContact CG2-CB 4.44Å; T166-A190 HydrophobicContact CG2-CB 3.73Å; T166-D210 PolarHBondContact OG1-O 3.18Å; T166-V211 HydrophobicContact CG2-CG1 3.97Å; T166-R214 WeakPolarHBondContact OG1-CD 3.38Å; T166-V215 PolarHBondContact N-O 3.09Å; T166-A216 WeakPolarHBondContact O-CA 3.42Å; T166-I217 PolarHBondContact O-N 3.42Å
167I98.8Very high96.2Very high0 Ų054.5 Ų54.50%029%0.293CS..EExtended strand (participates in β ladder)trans-83.4126.4174.4-49.8-57.8000109.1V178 I181 A182 L185 V187 D188 F189 A190 I217 V219I167-V178 HydrophobicContact CG2-CB 3.74Å; I167-V178 HydrophobicContact CG2-CG1 4.01Å; I167-I181 HydrophobicContact CD1-CG2 4.18Å; I167-I181 HydrophobicContact CG1-CG2 4.1Å; I167-I181 HydrophobicContact CG2-CB 4.42Å; I167-I181 HydrophobicContact CG2-CG2 4.25Å; I167-A182 HydrophobicContact CB-CB 4.26Å; I167-A182 HydrophobicContact CG1-CB 4.09Å; I167-L185 HydrophobicContact CD1-CD1 4.02Å; I167-V187 HydrophobicContact CD1-CG2 4.37Å; I167-V187 HydrophobicContact CG1-CG2 3.83Å; I167-D188 PolarHBondContact N-O 2.97Å; I167-F189 CarbonylContact O-C 3.39Å; I167-F189 WeakPolarHBondContact O-CA 3.4Å; I167-F189 WeakPolarHBondContact O-CB 3.26Å; I167-A190 PolarHBondContact O-N 3.17Å; I167-I217 HydrophobicContact CD1-CB 4.04Å; I167-I217 HydrophobicContact CD1-CD1 3.91Å; I167-I217 HydrophobicContact CD1-CG1 4.4Å; I167-V219 HydrophobicContact CG2-CB 4.36Å; I167-V219 HydrophobicContact CG2-CG2 3.76Å
168V98.6Very high96.1Very high0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-118.6128.1-169.5-170.40000111.4T166 A190 I192 V211 A216 I217 L218 V219 L236T166-V168 HydrophobicContact CG2-CG2 4.3Å; V168-A190 WeakPolarHBondContact CA-O 3.37Å; V168-A190 HydrophobicContact CG1-CB 4.38Å; V168-A190 HydrophobicContact CG2-CB 4.22Å; V168-I192 HydrophobicContact CG1-CD1 4Å; V168-I192 HydrophobicContact CG1-CG1 4.15Å; V168-V211 HydrophobicContact CG2-CG1 4.37Å; V168-A216 HydrophobicContact CG2-CB 4.03Å; V168-I217 PolarHBondContact N-O 3.25Å; V168-L218 HydrophobicContact CB-CD2 3.89Å; V168-L218 HydrophobicContact CB-CG 4.4Å; V168-L218 HydrophobicContact CG1-CD2 3.76Å; V168-L218 WeakPolarHBondContact O-CA 3.49Å; V168-V219 PolarHBondContact O-N 3.2Å; V168-L236 HydrophobicContact CB-CD1 4.33Å; V168-L236 HydrophobicContact CB-CD2 4.5Å; V168-L236 HydrophobicContact CG1-CD1 4.19Å; V168-L236 HydrophobicContact CG1-CD2 4.01Å; V168-L236 HydrophobicContact CG2-CD1 4.18Å; V168-L236 HydrophobicContact CG2-CD2 3.9Å
169S97.9Very high96.1Very high0 Ų046.5 Ų46.50%026%0.256CS..EExtended strand (participates in β ladder)trans-85.8128.4168.7-171.20000110.2D171 G174 A190 I192S169-D171 WeakPolarHBondContact CB-O 3.36Å; S169-D171 PolarHBondContact O-N 3.23Å; S169-D171 PolarHBondContact OG-O 3.31Å; S169-G174 VanDerWaalsContact OG-CA 3.23Å; S169-G174 WeakPolarHBondContact OG-CA 3.49Å; S169-A190 PolarHBondContact N-O 2.93Å; S169-I192 PolarHBondContact O-N 2.89Å
170P94.9Very high96Very high1 Ų148.2 Ų48.21%0.00627%0.268CS..SBendtrans-71.8-18177.928.9-34.2000113.4L218 V219 D220 T228 I229P170-L218 HydrophobicContact CB-CD2 4.16Å; P170-V219 VanDerWaalsContact CD-O 3.23Å; P170-V219 WeakPolarHBondContact CD-O 3.26Å; P170-D220 HydrophobicContact CG-CB 3.85Å; P170-D220 WeakPolarHBondContact CG-OD2 3.47Å; P170-T228 HydrophobicContact CB-CG2 4.23Å; P170-I229 HydrophobicContact CB-CG2 4.3Å
171D91.8Very high96Very high63 Ų6344.1 Ų44.134%0.33724%0.239SC..SBendtrans-143.9179.8174.37035.9000112.7S169 G173 G174 I192S169-D171 WeakPolarHBondContact CB-O 3.36Å; S169-D171 PolarHBondContact O-N 3.23Å; S169-D171 PolarHBondContact OG-O 3.31Å; D171-G173 WeakPolarHBondContact OD1-CA 3.32Å; D171-G173 PolarHBondContact OD1-N 2.94Å; D171-G174 PolarHBondContact OD1-N 3.2Å; D171-I192 CarbonylContact C-O 3.53Å; D171-I192 WeakPolarHBondContact CA-O 3.26Å
172A89.1Confident96.1Very high54 Ų5440.9 Ų40.945%0.44622%0.224SC..SBendtrans-74.9-22.1179.600000114.1
173G88.6Confident96Very high71 Ų7145 Ų4573%0.73225%0.248SC*.THydrogen-bonded Turntrans-71.5-35-179.900000112.3D171 A175D171-G173 WeakPolarHBondContact OD1-CA 3.32Å; D171-G173 PolarHBondContact OD1-N 2.94Å; G173-A175 PolarHBondContact O-N 3.21Å
174G93.1Very high96Very high4 Ų441.9 Ų41.94%0.04124%0.237CC..THydrogen-bonded Turntrans-74.9-0.2178.600000115.9S169 D171 K176 R177 V178S169-G174 VanDerWaalsContact OG-CA 3.23Å; S169-G174 WeakPolarHBondContact OG-CA 3.49Å; D171-G174 PolarHBondContact OD1-N 3.2Å; G174-K176 PolarHBondContact O-N 3.44Å; G174-R177 WeakPolarHBondContact O-CB 3.32Å; G174-R177 PolarHBondContact O-N 3.1Å; G174-V178 PolarHBondContact O-N 3.36Å; G174-V178 VanDerWaalsContact O-N 3.13Å
175A94.9Very high96Very high27 Ų2736.8 Ų36.822%0.22321%0.209CC..Hα-helixtrans-52.8-48.7-17400000113.4G173 R177 V178 T179 L191G173-A175 PolarHBondContact O-N 3.21Å; A175-R177 VanDerWaalsContact C-N 3.29Å; A175-R177 PolarHBondContact O-N 2.8Å; A175-V178 VanDerWaalsContact O-CG2 3.23Å; A175-V178 WeakPolarHBondContact O-CG2 3.43Å; A175-V178 PolarHBondContact O-N 2.98Å; A175-T179 WeakPolarHBondContact O-CG2 3.28Å; A175-T179 PolarHBondContact O-N 3.29Å; A175-T179 PolarHBondContact O-OG1 3.11Å; A175-L191 HydrophobicContact CB-CD1 3.67Å
176K95.1Very high96Very high182 Ų18243.7 Ų43.779%0.79125%0.247SC*.Hα-helixtrans-64.1-33.6179.9-70.7-175.2176.4-177.60113G174 T179 S180G174-K176 PolarHBondContact O-N 3.44Å; K176-T179 WeakPolarHBondContact CA-OG1 3.44Å; K176-T179 PolarHBondContact O-OG1 3.13Å; K176-T179 VanDerWaalsContact O-OG1 3.1Å; K176-S180 PolarHBondContact O-N 2.68Å
177R96.6Very high96Very high57 Ų5744.6 Ų44.622%0.21525%0.252CS..Hα-helixtrans-66.3-48.1179.5-172.9-173.6-56.7-73.2-4.6109.9D128 G174 A175 S180 I181 D221D128-R177 IonicContact OD1-NH1 2.76Å; D128-R177 PolarHBondContact OD1-NH1 2.93Å; G174-R177 WeakPolarHBondContact O-CB 3.32Å; G174-R177 PolarHBondContact O-N 3.1Å; A175-R177 VanDerWaalsContact C-N 3.29Å; A175-R177 PolarHBondContact O-N 2.8Å; R177-S180 PolarHBondContact O-N 2.76Å; R177-I181 WeakPolarHBondContact O-CG1 3.3Å; R177-I181 PolarHBondContact O-N 3.49Å; R177-D221 IonicContact CZ-OD1 3.77Å; R177-D221 IonicContact NE-OD1 3.36Å; R177-D221 VanDerWaalsContact NH2-CB 3.27Å; R177-D221 VanDerWaalsContact NH2-CG 3.32Å; R177-D221 IonicContact NH2-OD1 2.94Å; R177-D221 PolarHBondContact NH2-OD1 3.36Å
178V97.5Very high96Very high0 Ų048.3 Ų48.30%027%0.272CS..Hα-helixtrans-72.1-36-177.8-57.70000113I167 G174 A175 I181 A182 F189 V219I167-V178 HydrophobicContact CG2-CB 3.74Å; I167-V178 HydrophobicContact CG2-CG1 4.01Å; G174-V178 PolarHBondContact O-N 3.36Å; G174-V178 VanDerWaalsContact O-N 3.13Å; A175-V178 VanDerWaalsContact O-CG2 3.23Å; A175-V178 WeakPolarHBondContact O-CG2 3.43Å; A175-V178 PolarHBondContact O-N 2.98Å; V178-I181 PolarHBondContact O-N 3.32Å; V178-A182 VanDerWaalsContact O-CB 3.25Å; V178-A182 WeakPolarHBondContact O-CB 3.45Å; V178-A182 PolarHBondContact O-N 2.97Å; V178-F189 HydrophobicContact CG2-CD2 4.36Å; V178-V219 HydrophobicContact CG1-CB 4.15Å
179T97.3Very high96Very high38 Ų3852.9 Ų52.923%0.23329%0.292CS..Hα-helixtrans-65.3-40.5176.255.40000111.4A175 K176 I181 A182 D183 F189A175-T179 WeakPolarHBondContact O-CG2 3.28Å; A175-T179 PolarHBondContact O-N 3.29Å; A175-T179 PolarHBondContact O-OG1 3.11Å; K176-T179 WeakPolarHBondContact CA-OG1 3.44Å; K176-T179 PolarHBondContact O-OG1 3.13Å; K176-T179 VanDerWaalsContact O-OG1 3.1Å; T179-I181 VanDerWaalsContact C-N 3.34Å; T179-I181 PolarHBondContact O-N 3.27Å; T179-A182 PolarHBondContact O-N 3.31Å; T179-D183 WeakPolarHBondContact O-CB 3.25Å; T179-D183 PolarHBondContact O-N 3.38Å; T179-F189 HydrophobicContact CG2-CD1 3.95Å; T179-F189 HydrophobicContact CG2-CD2 3.85Å; T179-F189 HydrophobicContact CG2-CE1 3.87Å; T179-F189 HydrophobicContact CG2-CE2 3.77Å; T179-F189 HydrophobicContact CG2-CG 3.94Å; T179-F189 HydrophobicContact CG2-CZ 3.78Å
180S96.9Very high96Very high38 Ų3852.9 Ų52.927%0.26629%0.292SS..Hα-helixtrans-57.8-46.1175.4-175.60000112.1E148 K176 R177 R184E148-S180 PolarHBondContact OE1-OG 3.01Å; K176-S180 PolarHBondContact O-N 2.68Å; R177-S180 PolarHBondContact O-N 2.76Å; S180-R184 WeakPolarHBondContact O-CG 3.44Å; S180-R184 PolarHBondContact O-N 2.9Å; S180-R184 VanDerWaalsContact O-N 3.12Å
181I97.9Very high96.1Very high5 Ų554.4 Ų54.43%0.02630%0.3CS..Hα-helixtrans-67.4-44.3179.3-66169.8000110.6E148 L152 I155 I167 R177 V178 T179 R184 L185 V219E148-I181 HydrophobicContact CG-CG1 4.09Å; L152-I181 HydrophobicContact CD2-CG2 3.94Å; I155-I181 HydrophobicContact CD1-CG2 4.39Å; I167-I181 HydrophobicContact CD1-CG2 4.18Å; I167-I181 HydrophobicContact CG1-CG2 4.1Å; I167-I181 HydrophobicContact CG2-CB 4.42Å; I167-I181 HydrophobicContact CG2-CG2 4.25Å; R177-I181 WeakPolarHBondContact O-CG1 3.3Å; R177-I181 PolarHBondContact O-N 3.49Å; V178-I181 PolarHBondContact O-N 3.32Å; T179-I181 VanDerWaalsContact C-N 3.34Å; T179-I181 PolarHBondContact O-N 3.27Å; I181-R184 PolarHBondContact O-N 3.42Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 WeakPolarHBondContact O-CG 3.46Å; I181-L185 PolarHBondContact O-N 3.2Å; I181-V219 HydrophobicContact CD1-CB 4.41Å; I181-V219 HydrophobicContact CD1-CG1 3.68Å; I181-V219 HydrophobicContact CD1-CG2 4.38Å
182A98.1Very high96.2Very high0 Ų051.4 Ų51.40%028%0.284CS..Hα-helixtrans-60.8-46179.100000111.6I167 V178 T179 R184 L185 N186 V187 F189I167-A182 HydrophobicContact CB-CB 4.26Å; I167-A182 HydrophobicContact CG1-CB 4.09Å; V178-A182 VanDerWaalsContact O-CB 3.25Å; V178-A182 WeakPolarHBondContact O-CB 3.45Å; V178-A182 PolarHBondContact O-N 2.97Å; T179-A182 PolarHBondContact O-N 3.31Å; A182-R184 PolarHBondContact O-N 3.45Å; A182-L185 CarbonylContact O-C 3.51Å; A182-L185 PolarHBondContact O-N 3.24Å; A182-N186 WeakPolarHBondContact O-CA 3.42Å; A182-N186 PolarHBondContact O-N 2.94Å; A182-V187 HydrophobicContact CB-CG2 4.24Å; A182-V187 PolarHBondContact O-N 3.3Å; A182-F189 HydrophobicContact CB-CB 3.86Å
183D97.6Very high96.3Very high122 Ų12252.9 Ų52.965%0.65228%0.281SS*.Hα-helixtrans-61.5-42.8177.4-68.2-18.4000111.5T179 L185 N186T179-D183 WeakPolarHBondContact O-CB 3.25Å; T179-D183 PolarHBondContact O-N 3.38Å; D183-L185 VanDerWaalsContact C-N 3.33Å; D183-L185 PolarHBondContact O-N 3.49Å; D183-N186 PolarHBondContact O-N 3.29Å; D183-N186 VanDerWaalsContact O-N 3.15Å
184R97Very high95.9Very high102 Ų10252.9 Ų52.939%0.38526%0.261SS..Hα-helixtrans-70.6-25178.1-72.7-176.7-173.7-166.79.6114.1E148 L152 R156 S180 I181 A182E148-R184 VanDerWaalsContact CD-CZ 3.47Å; E148-R184 VanDerWaalsContact OE1-CD 3.23Å; E148-R184 WeakPolarHBondContact OE1-CD 3.47Å; E148-R184 IonicContact OE1-CZ 3.61Å; E148-R184 IonicContact OE1-NE 2.76Å; E148-R184 PolarHBondContact OE1-NE 3.49Å; E148-R184 IonicContact OE1-NH1 3.71Å; E148-R184 IonicContact OE1-NH2 2.79Å; E148-R184 IonicContact OE2-CZ 2.74Å; E148-R184 IonicContact OE2-NH1 3.73Å; E148-R184 IonicContact OE2-NH2 3.57Å; E148-R184 PolarHBondContact OE2-NH2 2.77Å; L152-R184 HydrophobicContact CD1-CB 4.07Å; L152-R184 HydrophobicContact CD2-CB 4.2Å; R156-R184 PolarHBondContact NH2-O 3.12Å; S180-R184 WeakPolarHBondContact O-CG 3.44Å; S180-R184 PolarHBondContact O-N 2.9Å; S180-R184 VanDerWaalsContact O-N 3.12Å; I181-R184 PolarHBondContact O-N 3.42Å; A182-R184 PolarHBondContact O-N 3.45Å
185L97.4Very high95.3Very high8 Ų856.7 Ų56.74%0.04228%0.278CS..Hα-helixtrans-89.7-11.9171.6-67.7176.2000112.2L152 I155 R156 W162 I167 I181 A182 D183 V187L152-L185 HydrophobicContact CD2-CD1 3.97Å; L152-L185 HydrophobicContact CD2-CD2 3.56Å; L152-L185 HydrophobicContact CD2-CG 3.46Å; L152-L185 VanDerWaalsContact CD2-CG 3.46Å; I155-L185 HydrophobicContact CD1-CD1 4.03Å; I155-L185 HydrophobicContact CG2-CD1 4.02Å; R156-L185 HydrophobicContact CG-CD2 4.16Å; W162-L185 HydrophobicContact CE3-CB 4.4Å; W162-L185 HydrophobicContact CE3-CD2 3.9Å; W162-L185 HydrophobicContact CZ3-CB 4.28Å; W162-L185 HydrophobicContact CZ3-CD2 3.93Å; W162-L185 WeakPolarHBondContact CZ3-O 3.23Å; I167-L185 HydrophobicContact CD1-CD1 4.02Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 WeakPolarHBondContact O-CG 3.46Å; I181-L185 PolarHBondContact O-N 3.2Å; A182-L185 CarbonylContact O-C 3.51Å; A182-L185 PolarHBondContact O-N 3.24Å; D183-L185 VanDerWaalsContact C-N 3.33Å; D183-L185 PolarHBondContact O-N 3.49Å; L185-V187 HydrophobicContact CB-CG1 4.02Å; L185-V187 HydrophobicContact CB-CG2 3.82Å; L185-V187 HydrophobicContact CD1-CG2 4.5Å
186N98Very high94.1Very high146 Ų14665.7 Ų65.778%0.78131%0.306SS*.THydrogen-bonded Turntrans5452.4-170.7-170.961.9000111.9A182 D183A182-N186 WeakPolarHBondContact O-CA 3.42Å; A182-N186 PolarHBondContact O-N 2.94Å; D183-N186 PolarHBondContact O-N 3.29Å; D183-N186 VanDerWaalsContact O-N 3.15Å
187V98.5Very high92.5Very high19 Ų1961.5 Ų61.512%0.11529%0.288CS..  trans-130.6170.9180-580000111.3W162 I167 A182 L185W162-V187 WeakPolarHBondContact O-CG1 3.41Å; I167-V187 HydrophobicContact CD1-CG2 4.37Å; I167-V187 HydrophobicContact CG1-CG2 3.83Å; A182-V187 HydrophobicContact CB-CG2 4.24Å; A182-V187 PolarHBondContact O-N 3.3Å; L185-V187 HydrophobicContact CB-CG1 4.02Å; L185-V187 HydrophobicContact CB-CG2 3.82Å; L185-V187 HydrophobicContact CD1-CG2 4.5Å
188D98.3Very high90.4Very high77 Ų7767.5 Ų67.541%0.41232%0.315SS..EExtended strand (participates in β ladder)trans-76158.5179.3-62.9-47.1000111.8T166 I167 R214T166-D188 WeakPolarHBondContact CA-O 3.41Å; T166-D188 HydrophobicContact CG2-CB 4.44Å; I167-D188 PolarHBondContact N-O 2.97Å; D188-R214 IonicContact OD2-CZ 3.62Å; D188-R214 IonicContact OD2-NH1 2.74Å; D188-R214 PolarHBondContact OD2-NH1 3.24Å; D188-R214 IonicContact OD2-NH2 3.38Å; D188-R214 PolarHBondContact OD2-NH2 3.21Å
189F98.4Very high87.7Confident96 Ų9671.9 Ų71.942%0.42135%0.351SS..EExtended strand (participates in β ladder)trans-124.7155.3170.778.6-84.6000111.9I167 V178 T179 A182I167-F189 CarbonylContact O-C 3.39Å; I167-F189 WeakPolarHBondContact O-CA 3.4Å; I167-F189 WeakPolarHBondContact O-CB 3.26Å; V178-F189 HydrophobicContact CG2-CD2 4.36Å; T179-F189 HydrophobicContact CG2-CD1 3.95Å; T179-F189 HydrophobicContact CG2-CD2 3.85Å; T179-F189 HydrophobicContact CG2-CE1 3.87Å; T179-F189 HydrophobicContact CG2-CE2 3.77Å; T179-F189 HydrophobicContact CG2-CG 3.94Å; T179-F189 HydrophobicContact CG2-CZ 3.78Å; A182-F189 HydrophobicContact CB-CB 3.86Å
190A98.1Very high85.4Confident0 Ų078.2 Ų78.20%038%0.384CS..EExtended strand (participates in β ladder)trans-135162.6172.100000110.9T166 I167 V168 S169 L207 V208 V211T166-A190 HydrophobicContact CG2-CB 3.73Å; I167-A190 PolarHBondContact O-N 3.17Å; V168-A190 WeakPolarHBondContact CA-O 3.37Å; V168-A190 HydrophobicContact CG1-CB 4.38Å; V168-A190 HydrophobicContact CG2-CB 4.22Å; S169-A190 PolarHBondContact N-O 2.93Å; A190-L207 HydrophobicContact CB-CD1 4.03Å; A190-V208 CarbonylContact C-O 3.6Å; A190-V208 VanDerWaalsContact CA-O 3.24Å; A190-V208 WeakPolarHBondContact CA-O 3.4Å; A190-V208 WeakPolarHBondContact CB-O 3.35Å; A190-V211 HydrophobicContact CB-CG1 3.92Å
191L97.4Very high83.3Confident33 Ų3381.9 Ų81.917%0.17340%0.397CS..EExtended strand (participates in β ladder)trans-136.1133-176.7-172.9151.1000110A175 H193 V208A175-L191 HydrophobicContact CB-CD1 3.67Å; L191-H193 HydrophobicContact CD2-CB 4.17Å; L191-V208 PolarHBondContact N-O 3Å; L191-V208 PolarHBondContact O-N 3.44Å
192I95.1Very high81.3Confident0 Ų088 Ų880%043%0.434CS..EExtended strand (participates in β ladder)trans-99.7123.8171.1-66.5169.2000108.4V168 S169 D171 M205 V206 L207 L218 A232 L236V168-I192 HydrophobicContact CG1-CD1 4Å; V168-I192 HydrophobicContact CG1-CG1 4.15Å; S169-I192 PolarHBondContact O-N 2.89Å; D171-I192 CarbonylContact C-O 3.53Å; D171-I192 WeakPolarHBondContact CA-O 3.26Å; I192-M205 HydrophobicContact CG2-CB 3.98Å; I192-M205 HydrophobicContact CG2-CG 4.04Å; I192-M205 HydrophobicContact CG2-SD 4.01Å; I192-V206 CarbonylContact C-O 3.58Å; I192-V206 WeakPolarHBondContact CA-O 3.24Å; I192-L207 HydrophobicContact CD1-CD1 4.37Å; I192-L207 HydrophobicContact CG1-CD1 3.64Å; I192-L218 HydrophobicContact CD1-CD2 4.37Å; I192-A232 HydrophobicContact CD1-CB 3.48Å; I192-A232 VanDerWaalsContact CD1-CB 3.48Å; I192-L236 HydrophobicContact CD1-CD2 4.46Å; I192-L236 HydrophobicContact CD1-CG 4.21Å
193H89.9Confident79.8Confident85 Ų8591.1 Ų91.139%0.39445%0.451SS..EExtended strand (participates in β ladder)trans-106.2122.5171.1-173.668.5000109.3L191 V206L191-H193 HydrophobicContact CD2-CB 4.17Å; H193-V206 PolarHBondContact N-O 3.43Å; H193-V206 PolarHBondContact O-N 2.76Å
194K81.8Confident78.9Confident71 Ų7193.1 Ų93.131%0.30945%0.449SS..EExtended strand (participates in β ladder)trans-90.3105.7174.3-171.7178.4179.5-173.60109.7R196 D203 M205K194-R196 PolarHBondContact O-N 2.93Å; K194-D203 WeakPolarHBondContact CE-OD2 3.31Å; K194-D203 HydrophobicContact CG-CB 4.46Å; K194-D203 IonicContact NZ-OD2 2.69Å; K194-D203 PolarHBondContact NZ-OD2 3.16Å; K194-M205 HydrophobicContact CD-CE 4.36Å
195E78.9Confident78.4Confident85 Ų8589.4 Ų89.440%0.39744%0.437SS..EExtended strand (participates in β ladder)trans-74.6107.5168.8-68.3-176.8165.500108.7K197 R204 V206E195-K197 PolarHBondContact O-N 2.85Å; E195-R204 PolarHBondContact N-O 3.34Å; E195-R204 PolarHBondContact O-N 2.67Å; E195-V206 HydrophobicContact CG-CG2 4.43Å
196R69.8Low78.1Confident216 Ų21691.4 Ų91.482%0.81545%0.449SS*.PPolyproline II helixtrans-78.4119173.6-64.5-173-174.5-174.72.2109.1K194 D203K194-R196 PolarHBondContact O-N 2.93Å; R196-D203 WeakPolarHBondContact CA-OD1 3.43Å
197K61.2Low78Confident94 Ų9486.2 Ų86.241%0.40942%0.421SS..PPolyproline II helixtrans-94.2169.3179.2-69-163.9170.6-173.40112.7E195 E201 D203E195-K197 PolarHBondContact O-N 2.85Å; K197-E201 HydrophobicContact CB-CB 3.77Å; K197-E201 HydrophobicContact CD-CB 3.62Å; K197-E201 HydrophobicContact CD-CG 4.34Å; K197-E201 WeakPolarHBondContact CD-OE2 3.49Å; K197-E201 WeakPolarHBondContact CE-OE2 3.44Å; K197-E201 HydrophobicContact CG-CB 4.38Å; K197-E201 IonicContact NZ-OE2 3.49Å; K197-E201 PolarHBondContact NZ-OE2 3.48Å; K197-D203 PolarHBondContact N-OD1 2.98Å
198K53.2Low77.8Confident182 Ų18289.6 Ų89.679%0.79144%0.442SS*.PPolyproline II helixtrans-64.1164.4174.4-70.5-179.6-179.9176.30110.7N200 E201K198-N200 PolarHBondContact O-N 3.28Å; K198-E201 PolarHBondContact O-N 2.87Å
199A41Very low77.7Confident92 Ų9288.2 Ų88.276%0.7645%0.445SS*.THydrogen-bonded Turntrans-50.4130.6174.700000111
200N49.7Very low77.6Confident171 Ų17188.1 Ų88.191%0.91445%0.449SS*.THydrogen-bonded Turntrans87.66.2-178.7-51.8-23.7000118.1K198K198-N200 PolarHBondContact O-N 3.28Å
201E52.4Low77.6Confident115 Ų11588.2 Ų88.254%0.53745%0.45SS..SBendtrans-115.3144.5169.1-68.8-172.5-131.400112K197 K198K197-E201 HydrophobicContact CB-CB 3.77Å; K197-E201 HydrophobicContact CD-CB 3.62Å; K197-E201 HydrophobicContact CD-CG 4.34Å; K197-E201 WeakPolarHBondContact CD-OE2 3.49Å; K197-E201 WeakPolarHBondContact CE-OE2 3.44Å; K197-E201 HydrophobicContact CG-CB 4.38Å; K197-E201 IonicContact NZ-OE2 3.49Å; K197-E201 PolarHBondContact NZ-OE2 3.48Å; K198-E201 PolarHBondContact O-N 2.87Å
202V55.6Low77.7Confident133 Ų13392.5 Ų92.581%0.80647%0.467SS*.  trans-73.9130176.1-175.60000109
203D67.2Low77.8Confident67 Ų6798.5 Ų98.536%0.35850%0.499SS..  trans-55.9136.7175.7-71-30.8000111K194 R196 K197K194-D203 WeakPolarHBondContact CE-OD2 3.31Å; K194-D203 HydrophobicContact CG-CB 4.46Å; K194-D203 IonicContact NZ-OD2 2.69Å; K194-D203 PolarHBondContact NZ-OD2 3.16Å; R196-D203 WeakPolarHBondContact CA-OD1 3.43Å; K197-D203 PolarHBondContact N-OD1 2.98Å
204R79.1Confident78.2Confident163 Ų16397.8 Ų97.862%0.61549%0.493SS*.EExtended strand (participates in β ladder)trans-104.9133179.1-165.1-179.9-175.5-1711.6110.2E195E195-R204 PolarHBondContact N-O 3.34Å; E195-R204 PolarHBondContact O-N 2.67Å
205M84.7Confident79Confident25 Ų2594.6 Ų94.612%0.12348%0.48CS..EExtended strand (participates in β ladder)trans-98.1122169.1-72.5-173.6173.400110.1I192 K194 T228 H231 K235I192-M205 HydrophobicContact CG2-CB 3.98Å; I192-M205 HydrophobicContact CG2-CG 4.04Å; I192-M205 HydrophobicContact CG2-SD 4.01Å; K194-M205 HydrophobicContact CD-CE 4.36Å; M205-T228 HydrophobicContact CE-CG2 4.46Å; M205-H231 HydrophobicContact CE-CB 3.46Å; M205-H231 VanDerWaalsContact CE-CB 3.46Å; M205-H231 HydrophobicContact SD-CB 3.75Å; M205-K235 HydrophobicContact CB-CG 4.32Å; M205-K235 WeakPolarHBondContact O-CE 3.36Å
206V91.8Very high80Confident50 Ų5090.6 Ų90.630%0.30346%0.461SS..EExtended strand (participates in β ladder)trans-102.3126.6174.5-1780000107.9I192 H193 E195 V208I192-V206 CarbonylContact C-O 3.58Å; I192-V206 WeakPolarHBondContact CA-O 3.24Å; H193-V206 PolarHBondContact N-O 3.43Å; H193-V206 PolarHBondContact O-N 2.76Å; E195-V206 HydrophobicContact CG-CG2 4.43Å; V206-V208 HydrophobicContact CG1-CG2 4.5Å
207L95.6Very high81.3Confident36 Ų3680.3 Ų80.319%0.18842%0.422CS..EExtended strand (participates in β ladder)trans-97.7129.5174.3179.667.8000108.6A190 I192 V211 L236 A239A190-L207 HydrophobicContact CB-CD1 4.03Å; I192-L207 HydrophobicContact CD1-CD1 4.37Å; I192-L207 HydrophobicContact CG1-CD1 3.64Å; L207-V211 HydrophobicContact CD2-CG1 4.25Å; L207-V211 HydrophobicContact CD2-CG2 3.7Å; L207-L236 HydrophobicContact CD1-CD2 4Å; L207-L236 HydrophobicContact CD2-CD2 4.24Å; L207-A239 HydrophobicContact CD2-CB 3.59Å
208V95.6Very high83.1Confident91 Ų9175.9 Ų75.955%0.55240%0.403SS*.EExtended strand (participates in β ladder)trans-116.2123.9172.6-178.70000107.8A190 L191 V206A190-V208 CarbonylContact C-O 3.6Å; A190-V208 VanDerWaalsContact CA-O 3.24Å; A190-V208 WeakPolarHBondContact CA-O 3.4Å; A190-V208 WeakPolarHBondContact CB-O 3.35Å; L191-V208 PolarHBondContact N-O 3Å; L191-V208 PolarHBondContact O-N 3.44Å; V206-V208 HydrophobicContact CG1-CG2 4.5Å
209G95.7Very high85.3Confident47 Ų4767.5 Ų67.549%0.48537%0.367SS..SBendtrans111.8164.6-172.200000112.2
210D96.6Very high88Confident95 Ų9564 Ų6451%0.50834%0.335SS..  trans-101.5131.9-179.9-174.629.7000111.3T166 K212T166-D210 PolarHBondContact OG1-O 3.18Å; D210-K212 WeakPolarHBondContact OD1-CB 3.37Å; D210-K212 PolarHBondContact OD1-N 3.41Å
211V98.1Very high90.3Very high2 Ų256.2 Ų56.21%0.01229%0.294CS..  trans-129.92179-57.70000111.5T166 V168 A190 L207 D213 R214 L236 A239 A241T166-V211 HydrophobicContact CG2-CG1 3.97Å; V168-V211 HydrophobicContact CG2-CG1 4.37Å; A190-V211 HydrophobicContact CB-CG1 3.92Å; L207-V211 HydrophobicContact CD2-CG1 4.25Å; L207-V211 HydrophobicContact CD2-CG2 3.7Å; V211-D213 PolarHBondContact O-N 3.05Å; V211-R214 PolarHBondContact O-N 3.09Å; V211-L236 HydrophobicContact CB-CD2 4.26Å; V211-L236 HydrophobicContact CG1-CD2 3.76Å; V211-L236 HydrophobicContact CG2-CD2 4.09Å; V211-A239 HydrophobicContact CG2-CB 3.66Å; V211-A241 HydrophobicContact CB-CB 4.46Å; V211-A241 HydrophobicContact CG2-CB 4.38Å; V211-A241 WeakPolarHBondContact O-CA 3.25Å
212K98.3Very high92.4Very high123 Ų12351.5 Ų51.554%0.53527%0.272SS..THydrogen-bonded Turntrans-67.4133.5-173.6-173.4-177.5173.5-1760110.4D210 R214D210-K212 WeakPolarHBondContact OD1-CB 3.37Å; D210-K212 PolarHBondContact OD1-N 3.41Å; K212-R214 WeakPolarHBondContact O-CG 3.35Å; K212-R214 PolarHBondContact O-N 3.13Å; K212-R214 VanDerWaalsContact O-N 3.16Å
213D98.1Very high94.4Very high126 Ų12645.4 Ų45.467%0.67424%0.235SC*.THydrogen-bonded Turntrans57.625.9179.7-56-47.3000113.2V211 G240V211-D213 PolarHBondContact O-N 3.05Å; D213-G240 PolarHBondContact N-O 3.27Å
214R98.3Very high95.8Very high69 Ų6944.5 Ų44.526%0.2623%0.231SC..SBendtrans-127.5154.8-179.8-66.5174.5180-12618.3111.9N164 T166 D188 V211 K212 A241 T242N164-R214 WeakPolarHBondContact O-CG 3.35Å; T166-R214 WeakPolarHBondContact OG1-CD 3.38Å; D188-R214 IonicContact OD2-CZ 3.62Å; D188-R214 IonicContact OD2-NH1 2.74Å; D188-R214 PolarHBondContact OD2-NH1 3.24Å; D188-R214 IonicContact OD2-NH2 3.38Å; D188-R214 PolarHBondContact OD2-NH2 3.21Å; V211-R214 PolarHBondContact O-N 3.09Å; K212-R214 WeakPolarHBondContact O-CG 3.35Å; K212-R214 PolarHBondContact O-N 3.13Å; K212-R214 VanDerWaalsContact O-N 3.16Å; R214-A241 CarbonylContact O-C 3.56Å; R214-A241 WeakPolarHBondContact O-CA 3.34Å; R214-T242 PolarHBondContact N-OG1 2.88Å; R214-T242 PolarHBondContact O-N 3.12Å
215V98.7Very high96.6Very high5 Ų539.5 Ų39.53%0.0322%0.219CC..EExtended strand (participates in β ladder)trans-72.1127.8166.6175.30000108.6I159 E161 C165 T166 I217 Y245I159-V215 HydrophobicContact CG2-CG1 4.11Å; E161-V215 HydrophobicContact CB-CG2 3.93Å; E161-V215 HydrophobicContact CG-CG2 4.41Å; C165-V215 CarbonylContact C-O 3.47Å; C165-V215 VanDerWaalsContact CA-O 3.22Å; C165-V215 WeakPolarHBondContact CA-O 3.48Å; C165-V215 HydrophobicContact CB-CB 4.13Å; C165-V215 HydrophobicContact CB-CG1 4.49Å; C165-V215 VanDerWaalsContact CB-O 3.26Å; C165-V215 WeakPolarHBondContact CB-O 3.37Å; T166-V215 PolarHBondContact N-O 3.09Å; V215-I217 HydrophobicContact CG1-CG1 4.25Å; V215-Y245 HydrophobicContact CG1-CD2 3.66Å; V215-Y245 HydrophobicContact CG1-CE2 3.76Å
216A98.8Very high97.2Very high0 Ų038.6 Ų38.60%021%0.214CC..EExtended strand (participates in β ladder)trans-102.8129.1175.700000110.2T166 V168 L236 A241 R243 V244 Y245T166-A216 WeakPolarHBondContact O-CA 3.42Å; V168-A216 HydrophobicContact CG2-CB 4.03Å; A216-L236 HydrophobicContact CB-CB 4.37Å; A216-L236 HydrophobicContact CB-CD1 3.89Å; A216-L236 HydrophobicContact CB-CD2 4.13Å; A216-L236 HydrophobicContact CB-CG 4.36Å; A216-A241 HydrophobicContact CB-CB 3.9Å; A216-R243 PolarHBondContact N-O 3.37Å; A216-V244 WeakPolarHBondContact O-CA 3.25Å; A216-Y245 PolarHBondContact O-N 3.48Å
217I98.8Very high97.3Very high0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-115.6102.5179.5-51.6175.1000107.9I155 I159 C165 T166 I167 V168 V215 V219 I247I155-I217 HydrophobicContact CD1-CD1 4.33Å; I155-I217 HydrophobicContact CG1-CD1 4.3Å; I155-I217 HydrophobicContact CG2-CD1 3.98Å; I159-I217 HydrophobicContact CD1-CD1 3.49Å; I159-I217 VanDerWaalsContact CD1-CD1 3.49Å; I159-I217 HydrophobicContact CD1-CG1 3.94Å; C165-I217 HydrophobicContact CB-CD1 4.11Å; C165-I217 HydrophobicContact CB-CG1 4.43Å; T166-I217 PolarHBondContact O-N 3.42Å; I167-I217 HydrophobicContact CD1-CB 4.04Å; I167-I217 HydrophobicContact CD1-CD1 3.91Å; I167-I217 HydrophobicContact CD1-CG1 4.4Å; V168-I217 PolarHBondContact N-O 3.25Å; V215-I217 HydrophobicContact CG1-CG1 4.25Å; I217-V219 HydrophobicContact CG2-CG2 4.01Å; I217-V219 PolarHBondContact O-N 2.91Å; I217-I247 HydrophobicContact CG2-CD1 3.64Å; I217-I247 HydrophobicContact CG2-CG1 3.88Å
218L98.6Very high97.2Very high2 Ų238 Ų381%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-68.4127.7171.6-78.1162.7000109.4V168 P170 I192 A232 A233 L236 V244 Y245 A246 I247 F266V168-L218 HydrophobicContact CB-CD2 3.89Å; V168-L218 HydrophobicContact CB-CG 4.4Å; V168-L218 HydrophobicContact CG1-CD2 3.76Å; V168-L218 WeakPolarHBondContact O-CA 3.49Å; P170-L218 HydrophobicContact CB-CD2 4.16Å; I192-L218 HydrophobicContact CD1-CD2 4.37Å; L218-A232 HydrophobicContact CD1-CB 3.86Å; L218-A232 HydrophobicContact CD2-CB 3.89Å; L218-A233 HydrophobicContact CD1-CB 4.29Å; L218-L236 HydrophobicContact CD1-CD1 3.84Å; L218-L236 HydrophobicContact CD2-CD1 3.93Å; L218-L236 HydrophobicContact CG-CD1 3.67Å; L218-V244 HydrophobicContact CD1-CG1 3.96Å; L218-V244 HydrophobicContact CG-CG1 4.47Å; L218-Y245 PolarHBondContact N-O 2.99Å; L218-A246 HydrophobicContact CB-CB 4.33Å; L218-A246 CarbonylContact O-C 3.36Å; L218-A246 WeakPolarHBondContact O-CA 3.43Å; L218-I247 PolarHBondContact O-N 3.34Å; L218-F266 HydrophobicContact CD1-CE1 4.01Å
219V98.6Very high97.2Very high6 Ų633.8 Ų33.84%0.03619%0.189CC..EExtended strand (participates in β ladder)trans-127.5129176.4-1750000110.5I167 V168 P170 V178 I181 I217 I247I167-V219 HydrophobicContact CG2-CB 4.36Å; I167-V219 HydrophobicContact CG2-CG2 3.76Å; V168-V219 PolarHBondContact O-N 3.2Å; P170-V219 VanDerWaalsContact CD-O 3.23Å; P170-V219 WeakPolarHBondContact CD-O 3.26Å; V178-V219 HydrophobicContact CG1-CB 4.15Å; I181-V219 HydrophobicContact CD1-CB 4.41Å; I181-V219 HydrophobicContact CD1-CG1 3.68Å; I181-V219 HydrophobicContact CD1-CG2 4.38Å; I217-V219 HydrophobicContact CG2-CG2 4.01Å; I217-V219 PolarHBondContact O-N 2.91Å; V219-I247 WeakPolarHBondContact CA-O 3.04Å; V219-I247 HydrophobicContact CG2-CB 4.41Å
220D97.9Very high97.3Very high18 Ų1832.1 Ų32.110%0.09617%0.17CC..EExtended strand (participates in β ladder)trans-142.3160.6177.5-152.2-7.8000110.2P170 I247 L248 T249P170-D220 HydrophobicContact CG-CB 3.85Å; P170-D220 WeakPolarHBondContact CG-OD2 3.47Å; D220-I247 PolarHBondContact N-O 3.49Å; D220-I247 VanDerWaalsContact N-O 3.16Å; D220-L248 HydrophobicContact CB-CD2 3.6Å; D220-L248 WeakPolarHBondContact O-CA 3.4Å; D220-T249 PolarHBondContact O-N 2.69Å
221D97.3Very high97.2Very high7 Ų732.7 Ų32.74%0.03717%0.169CC..EExtended strand (participates in β ladder)trans-69-38171.835-72.9000112H130 R177 T249 H250H130-D221 IonicContact CE1-OD2 2.82Å; H130-D221 IonicContact CG-OD2 2.85Å; H130-D221 IonicContact ND1-OD1 2.73Å; H130-D221 IonicContact ND1-OD2 3.86Å; H130-D221 PolarHBondContact ND1-OD2 3.15Å; R177-D221 IonicContact CZ-OD1 3.77Å; R177-D221 IonicContact NE-OD1 3.36Å; R177-D221 VanDerWaalsContact NH2-CB 3.27Å; R177-D221 VanDerWaalsContact NH2-CG 3.32Å; R177-D221 IonicContact NH2-OD1 2.94Å; R177-D221 PolarHBondContact NH2-OD1 3.36Å; D221-T249 CarbonylContact O-C 3.51Å; D221-T249 WeakPolarHBondContact O-CA 3.47Å; D221-T249 WeakPolarHBondContact O-CB 3.44Å; D221-T249 PolarHBondContact O-N 2.93Å; D221-T249 VanDerWaalsContact O-N 3.12Å; D221-H250 PolarHBondContact O-CD2 2.87Å; D221-H250 VanDerWaalsContact O-CD2 3.29Å; D221-H250 PolarHBondContact O-N 2.78Å
222M97.4Very high97.2Very high16 Ų1632.6 Ų32.68%0.07917%0.168CC..EExtended strand (participates in β ladder)trans-153.3147.4-174.965.6-179.473.700113R96 H130 H250 I252R96-M222 HydrophobicContact CG-SD 3.95Å; R96-M222 PolarHBondContact NE-SD 3.18Å; R96-M222 PolarHBondContact NH2-SD 3.49Å; H130-M222 HydrophobicContact CB-CE 4.09Å; M222-H250 VanDerWaalsContact CA-O 3.24Å; M222-H250 WeakPolarHBondContact CA-O 3.22Å; M222-H250 HydrophobicContact CB-CB 3.78Å; M222-H250 WeakPolarHBondContact CB-O 3.34Å; M222-I252 HydrophobicContact CB-CD1 4.23Å; M222-I252 HydrophobicContact CG-CD1 4.42Å; M222-I252 HydrophobicContact SD-CD1 3.83Å
223A97.6Very high97.1Very high5 Ų526.7 Ų26.74%0.04114%0.143CC..EExtended strand (participates in β ladder)trans-124.8134.1167.300000112.4I229 L248 H250 I252 F253A223-I229 HydrophobicContact CB-CD1 3.83Å; A223-L248 HydrophobicContact CB-CD1 3.28Å; A223-L248 HydrophobicContact CB-CD2 3.88Å; A223-L248 HydrophobicContact CB-CG 4.17Å; A223-H250 PolarHBondContact N-O 2.81Å; A223-H250 VanDerWaalsContact N-O 3.16Å; A223-I252 WeakPolarHBondContact O-CB 3.35Å; A223-I252 PolarHBondContact O-N 3.07Å; A223-F253 HydrophobicContact CB-CD1 4.49Å; A223-F253 HydrophobicContact CB-CE1 4.11Å; A223-F253 PolarHBondContact O-N 2.99Å; A223-F253 VanDerWaalsContact O-N 3.08Å
224D96.1Very high97.1Very high48 Ų4824.3 Ų24.326%0.25713%0.13SC..SBendtrans-101.4-90-175.8-166.8-4.2000111.4R96 C226 F253 S254 A257R96-D224 IonicContact CZ-OD2 3.14Å; R96-D224 IonicContact NH1-OD2 2.82Å; R96-D224 PolarHBondContact NH1-OD2 3.29Å; R96-D224 IonicContact NH2-OD2 3.1Å; D224-C226 PolarHBondContact O-N 2.6Å; D224-F253 CarbonylContact O-C 3.5Å; D224-F253 WeakPolarHBondContact O-CA 3.35Å; D224-F253 PolarHBondContact O-N 2.88Å; D224-S254 PolarHBondContact O-N 2.86Å; D224-S254 WeakPolarHBondContact OD1-CB 3.23Å; D224-S254 PolarHBondContact OD1-OG 3.17Å; D224-A257 WeakPolarHBondContact O-CB 3.48Å
225T96.1Very high97Very high59 Ų5924.7 Ų24.736%0.36213%0.134SC..SBendtrans-83.41177680000113.2G227 R260T225-G227 PolarHBondContact O-N 2.88Å; T225-R260 WeakPolarHBondContact O-CD 3.23Å; T225-R260 PolarHBondContact O-NH1 3.1Å; T225-R260 PolarHBondContact OG1-NH1 2.87Å
226C97.2Very high97Very high5 Ų524.5 Ų24.53%0.03413%0.132CC..  trans57.77.3-178.2-59.90000117D224 T228 I229 C230 F253 A257 I261D224-C226 PolarHBondContact O-N 2.6Å; C226-T228 PolarHBondContact O-N 3.17Å; C226-I229 HydrophobicContact CB-CD1 3.94Å; C226-I229 HydrophobicContact CB-CG1 3.88Å; C226-I229 VanDerWaalsContact O-CG1 3.29Å; C226-I229 WeakPolarHBondContact O-CG1 3.46Å; C226-I229 PolarHBondContact O-N 3.12Å; C226-C230 WeakPolarHBondContact O-CB 3.36Å; C226-C230 PolarHBondContact O-N 2.91Å; C226-C230 PolarHBondContact O-SG 3.42Å; C226-F253 WeakPolarHBondContact SG-CD1 3.42Å; C226-A257 HydrophobicContact CB-CB 4.33Å; C226-I261 HydrophobicContact CB-CG1 4.22Å
227G94.4Very high96.9Very high11 Ų1127.7 Ų27.711%0.11315%0.149CC..Hα-helixtrans-59.9-46.5-178.500000112.9T225 C230 H231T225-G227 PolarHBondContact O-N 2.88Å; G227-C230 PolarHBondContact O-N 3.47Å; G227-H231 PolarHBondContact O-CD2 3.24Å; G227-H231 PolarHBondContact O-N 3Å; G227-H231 VanDerWaalsContact O-N 3.14Å
228T93.1Very high96.8Very high62 Ų6232.5 Ų32.538%0.3818%0.183SC..Hα-helixtrans-60.4-51.1179.2-52.30000111.6P170 M205 C226 C230 H231 A232P170-T228 HydrophobicContact CB-CG2 4.23Å; M205-T228 HydrophobicContact CE-CG2 4.46Å; C226-T228 PolarHBondContact O-N 3.17Å; T228-C230 PolarHBondContact O-N 3.37Å; T228-H231 PolarHBondContact O-N 3.22Å; T228-A232 VanDerWaalsContact O-CB 3.29Å; T228-A232 WeakPolarHBondContact O-CB 3.37Å; T228-A232 PolarHBondContact O-N 2.86Å
229I96.6Very high96.8Very high4 Ų434.2 Ų34.22%0.02120%0.197CC..Hα-helixtrans-68.1-33.4-17762.9170.7000112.6P170 A223 C226 A232 A233 L248 F266P170-I229 HydrophobicContact CB-CG2 4.3Å; A223-I229 HydrophobicContact CB-CD1 3.83Å; C226-I229 HydrophobicContact CB-CD1 3.94Å; C226-I229 HydrophobicContact CB-CG1 3.88Å; C226-I229 VanDerWaalsContact O-CG1 3.29Å; C226-I229 WeakPolarHBondContact O-CG1 3.46Å; C226-I229 PolarHBondContact O-N 3.12Å; I229-A232 WeakPolarHBondContact O-CB 3.36Å; I229-A232 PolarHBondContact O-N 3.3Å; I229-A233 WeakPolarHBondContact O-CB 3.44Å; I229-A233 PolarHBondContact O-N 3.21Å; I229-L248 HydrophobicContact CD1-CD1 4.17Å; I229-L248 HydrophobicContact CG2-CD2 4.5Å; I229-F266 HydrophobicContact CB-CZ 4.17Å; I229-F266 HydrophobicContact CD1-CZ 4.28Å; I229-F266 HydrophobicContact CG1-CZ 4.13Å; I229-F266 WeakPolarHBondContact O-CZ 3.34Å
230C97.3Very high96.7Very high12 Ų1235.2 Ų35.28%0.08121%0.209CC..Hα-helixtrans-67.8-46.8177.1-64.80000111.1C226 G227 T228 A232 A233 D234 A264C226-C230 WeakPolarHBondContact O-CB 3.36Å; C226-C230 PolarHBondContact O-N 2.91Å; C226-C230 PolarHBondContact O-SG 3.42Å; G227-C230 PolarHBondContact O-N 3.47Å; T228-C230 PolarHBondContact O-N 3.37Å; C230-A232 VanDerWaalsContact C-N 3.28Å; C230-A232 PolarHBondContact O-N 3.4Å; C230-A233 WeakPolarHBondContact O-CB 3.24Å; C230-A233 PolarHBondContact O-N 2.95Å; C230-A233 VanDerWaalsContact O-N 3.15Å; C230-D234 PolarHBondContact O-N 3.36Å; C230-D234 VanDerWaalsContact O-N 3.08Å; C230-A264 HydrophobicContact CB-CB 4.14Å
231H95.1Very high96.8Very high106 Ų10634.8 Ų34.849%0.49121%0.208SC..Hα-helixtrans-64.6-34.9175.3-69.3-47.9000112.5M205 G227 T228 A233 D234 K235M205-H231 HydrophobicContact CE-CB 3.46Å; M205-H231 VanDerWaalsContact CE-CB 3.46Å; M205-H231 HydrophobicContact SD-CB 3.75Å; G227-H231 PolarHBondContact O-CD2 3.24Å; G227-H231 PolarHBondContact O-N 3Å; G227-H231 VanDerWaalsContact O-N 3.14Å; T228-H231 PolarHBondContact O-N 3.22Å; H231-A233 VanDerWaalsContact C-N 3.34Å; H231-D234 PolarHBondContact O-N 3.33Å; H231-K235 WeakPolarHBondContact O-CB 3.44Å; H231-K235 PolarHBondContact O-N 3.05Å
232A96.3Very high96.8Very high0 Ų038.3 Ų38.30%023%0.23CC..Hα-helixtrans-61.7-42.7172.600000111.4I192 L218 T228 I229 C230 K235 L236I192-A232 HydrophobicContact CD1-CB 3.48Å; I192-A232 VanDerWaalsContact CD1-CB 3.48Å; L218-A232 HydrophobicContact CD1-CB 3.86Å; L218-A232 HydrophobicContact CD2-CB 3.89Å; T228-A232 VanDerWaalsContact O-CB 3.29Å; T228-A232 WeakPolarHBondContact O-CB 3.37Å; T228-A232 PolarHBondContact O-N 2.86Å; I229-A232 WeakPolarHBondContact O-CB 3.36Å; I229-A232 PolarHBondContact O-N 3.3Å; C230-A232 VanDerWaalsContact C-N 3.28Å; C230-A232 PolarHBondContact O-N 3.4Å; A232-K235 PolarHBondContact O-N 3.5Å; A232-L236 VanDerWaalsContact O-CG 3.26Å; A232-L236 WeakPolarHBondContact O-CG 3.44Å; A232-L236 PolarHBondContact O-N 3.13Å
233A97.9Very high96.8Very high0 Ų041.1 Ų41.10%024%0.24CC..Hα-helixtrans-61.5-46.2176.800000112.2L218 I229 C230 H231 K235 L236 L237 V244 C265 F266L218-A233 HydrophobicContact CD1-CB 4.29Å; I229-A233 WeakPolarHBondContact O-CB 3.44Å; I229-A233 PolarHBondContact O-N 3.21Å; C230-A233 WeakPolarHBondContact O-CB 3.24Å; C230-A233 PolarHBondContact O-N 2.95Å; C230-A233 VanDerWaalsContact O-N 3.15Å; H231-A233 VanDerWaalsContact C-N 3.34Å; A233-K235 VanDerWaalsContact C-N 3.26Å; A233-K235 PolarHBondContact O-N 2.88Å; A233-L236 PolarHBondContact O-N 3.36Å; A233-L236 VanDerWaalsContact O-N 3.16Å; A233-L237 PolarHBondContact O-N 3.06Å; A233-V244 HydrophobicContact CB-CB 4.41Å; A233-V244 HydrophobicContact CB-CG1 3.88Å; A233-C265 VanDerWaalsContact CB-SG 3.59Å; A233-F266 HydrophobicContact CB-CD1 4.14Å; A233-F266 HydrophobicContact CB-CE1 3.53Å; A233-F266 HydrophobicContact CB-CZ 3.77Å
234D96.8Very high96.9Very high76 Ų7640.9 Ų40.941%0.40624%0.238SC..Hα-helixtrans-60.1-39.4176-61.7-25.4000111.7C230 H231 S238C230-D234 PolarHBondContact O-N 3.36Å; C230-D234 VanDerWaalsContact O-N 3.08Å; H231-D234 PolarHBondContact O-N 3.33Å; D234-S238 WeakPolarHBondContact O-CB 3.49Å; D234-S238 PolarHBondContact O-N 2.96Å; D234-S238 PolarHBondContact O-OG 3.16Å
235K96.7Very high97Very high77 Ų7739.3 Ų39.334%0.33523%0.228SC..Hα-helixtrans-66.8-38.4177.8-176.257.6-179.8170.60112.1M205 H231 A232 A233 S238 A239M205-K235 HydrophobicContact CB-CG 4.32Å; M205-K235 WeakPolarHBondContact O-CE 3.36Å; H231-K235 WeakPolarHBondContact O-CB 3.44Å; H231-K235 PolarHBondContact O-N 3.05Å; A232-K235 PolarHBondContact O-N 3.5Å; A233-K235 VanDerWaalsContact C-N 3.26Å; A233-K235 PolarHBondContact O-N 2.88Å; K235-S238 PolarHBondContact O-N 3.37Å; K235-A239 WeakPolarHBondContact O-CB 3.37Å; K235-A239 PolarHBondContact O-N 3.26Å; K235-A239 VanDerWaalsContact O-N 3.09Å
236L98.1Very high97.2Very high0 Ų036.5 Ų36.50%021%0.211CC..Hα-helixtrans-66.8-45.7177.3-72.5168.2000111.8V168 I192 L207 V211 A216 L218 A232 A233 S238 A239 G240 A241 V244V168-L236 HydrophobicContact CB-CD1 4.33Å; V168-L236 HydrophobicContact CB-CD2 4.5Å; V168-L236 HydrophobicContact CG1-CD1 4.19Å; V168-L236 HydrophobicContact CG1-CD2 4.01Å; V168-L236 HydrophobicContact CG2-CD1 4.18Å; V168-L236 HydrophobicContact CG2-CD2 3.9Å; I192-L236 HydrophobicContact CD1-CD2 4.46Å; I192-L236 HydrophobicContact CD1-CG 4.21Å; L207-L236 HydrophobicContact CD1-CD2 4Å; L207-L236 HydrophobicContact CD2-CD2 4.24Å; V211-L236 HydrophobicContact CB-CD2 4.26Å; V211-L236 HydrophobicContact CG1-CD2 3.76Å; V211-L236 HydrophobicContact CG2-CD2 4.09Å; A216-L236 HydrophobicContact CB-CB 4.37Å; A216-L236 HydrophobicContact CB-CD1 3.89Å; A216-L236 HydrophobicContact CB-CD2 4.13Å; A216-L236 HydrophobicContact CB-CG 4.36Å; L218-L236 HydrophobicContact CD1-CD1 3.84Å; L218-L236 HydrophobicContact CD2-CD1 3.93Å; L218-L236 HydrophobicContact CG-CD1 3.67Å; A232-L236 VanDerWaalsContact O-CG 3.26Å; A232-L236 WeakPolarHBondContact O-CG 3.44Å; A232-L236 PolarHBondContact O-N 3.13Å; A233-L236 PolarHBondContact O-N 3.36Å; A233-L236 VanDerWaalsContact O-N 3.16Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 3.02Å; L236-A239 CarbonylContact O-C 3.51Å; L236-A239 PolarHBondContact O-N 3.21Å; L236-A239 VanDerWaalsContact O-N 3.09Å; L236-G240 PolarHBondContact O-N 2.8Å; L236-A241 HydrophobicContact CB-CB 4.14Å; L236-A241 VanDerWaalsContact O-CB 3.28Å; L236-A241 WeakPolarHBondContact O-CB 3.38Å; L236-A241 PolarHBondContact O-N 2.83Å; L236-V244 HydrophobicContact CB-CG2 4Å; L236-V244 HydrophobicContact CD1-CG1 4.01Å
237L97.6Very high97.2Very high68 Ų6836.4 Ų36.436%0.35621%0.21SC..Hα-helixtrans-61.3-43.2173.8-75.4-167.5000111.9A233 A239 G240 A241 V244 C265A233-L237 PolarHBondContact O-N 3.06Å; L237-A239 PolarHBondContact O-N 3.07Å; L237-G240 PolarHBondContact O-N 3.47Å; L237-A241 VanDerWaalsContact CD2-O 3.25Å; L237-A241 WeakPolarHBondContact CD2-O 3.42Å; L237-V244 HydrophobicContact CD2-CG2 3.85Å; L237-V244 HydrophobicContact CG-CG2 3.97Å; L237-C265 HydrophobicContact CD1-CB 3.37Å; L237-C265 WeakPolarHBondContact CD1-SG 3.37Å; L237-C265 HydrophobicContact CG-CB 4.4Å
238S96.9Very high97.4Very high101 Ų10136 Ų3671%0.70621%0.205SC*.Hα-helixtrans-62.5-22.9176.4-58.50000113.1D234 K235 L236D234-S238 WeakPolarHBondContact O-CB 3.49Å; D234-S238 PolarHBondContact O-N 2.96Å; D234-S238 PolarHBondContact O-OG 3.16Å; K235-S238 PolarHBondContact O-N 3.37Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 3.02Å
239A97.5Very high97.7Very high37 Ų3733.4 Ų33.431%0.30619%0.189SC..THydrogen-bonded Turntrans-90.21.9175.600000113.3L207 V211 K235 L236 L237L207-A239 HydrophobicContact CD2-CB 3.59Å; V211-A239 HydrophobicContact CG2-CB 3.66Å; K235-A239 WeakPolarHBondContact O-CB 3.37Å; K235-A239 PolarHBondContact O-N 3.26Å; K235-A239 VanDerWaalsContact O-N 3.09Å; L236-A239 CarbonylContact O-C 3.51Å; L236-A239 PolarHBondContact O-N 3.21Å; L236-A239 VanDerWaalsContact O-N 3.09Å; L237-A239 PolarHBondContact O-N 3.07Å
240G97.9Very high97.8Very high28 Ų2833.3 Ų33.329%0.28919%0.189SC..THydrogen-bonded Turntrans97.315.617500000115.2D213 L236 L237D213-G240 PolarHBondContact N-O 3.27Å; L236-G240 PolarHBondContact O-N 2.8Å; L237-G240 PolarHBondContact O-N 3.47Å
241A98.5Very high97.8Very high8 Ų832.8 Ų32.87%0.06619%0.185CC..  trans-62.6137.9171.700000111V211 R214 A216 L236 L237 V244V211-A241 HydrophobicContact CB-CB 4.46Å; V211-A241 HydrophobicContact CG2-CB 4.38Å; V211-A241 WeakPolarHBondContact O-CA 3.25Å; R214-A241 CarbonylContact O-C 3.56Å; R214-A241 WeakPolarHBondContact O-CA 3.34Å; A216-A241 HydrophobicContact CB-CB 3.9Å; L236-A241 HydrophobicContact CB-CB 4.14Å; L236-A241 VanDerWaalsContact O-CB 3.28Å; L236-A241 WeakPolarHBondContact O-CB 3.38Å; L236-A241 PolarHBondContact O-N 2.83Å; L237-A241 VanDerWaalsContact CD2-O 3.25Å; L237-A241 WeakPolarHBondContact CD2-O 3.42Å; A241-V244 HydrophobicContact CB-CG2 4.4Å
242T98.2Very high98Very high82 Ų8229.9 Ų29.950%0.50317%0.173SC..SBendtrans-71.3-45.8-178.3-50.20000111.8R214R214-T242 PolarHBondContact N-OG1 2.88Å; R214-T242 PolarHBondContact O-N 3.12Å
243R97.9Very high98Very high75 Ų7530 Ų3028%0.28317%0.173SC..EExtended strand (participates in β ladder)trans-149.1151.3178.9-78.9-179.6-91168.9-0.9108.6E161 A216E161-R243 IonicContact OE1-CZ 2.66Å; E161-R243 IonicContact OE1-NH2 3.52Å; E161-R243 PolarHBondContact OE1-NH2 3.09Å; E161-R243 IonicContact OE2-NH2 3.66Å; A216-R243 PolarHBondContact N-O 3.37Å
244V98.7Very high97.9Very high0 Ų032.3 Ų32.30%019%0.189CC..EExtended strand (participates in β ladder)trans-120124.4179.5-1730000110.1A216 L218 A233 L236 L237 A241 F266 E267A216-V244 WeakPolarHBondContact O-CA 3.25Å; L218-V244 HydrophobicContact CD1-CG1 3.96Å; L218-V244 HydrophobicContact CG-CG1 4.47Å; A233-V244 HydrophobicContact CB-CB 4.41Å; A233-V244 HydrophobicContact CB-CG1 3.88Å; L236-V244 HydrophobicContact CB-CG2 4Å; L236-V244 HydrophobicContact CD1-CG1 4.01Å; L237-V244 HydrophobicContact CD2-CG2 3.85Å; L237-V244 HydrophobicContact CG-CG2 3.97Å; A241-V244 HydrophobicContact CB-CG2 4.4Å; V244-F266 HydrophobicContact CG1-CD1 4.04Å; V244-F266 HydrophobicContact CG1-CE1 4.05Å; V244-F266 WeakPolarHBondContact O-CA 3.45Å; V244-E267 PolarHBondContact O-N 2.59Å
245Y98.9Very high97.9Very high15 Ų1532.2 Ų32.26%0.05921%0.206CC..EExtended strand (participates in β ladder)trans-104.9153.5167.4-68.6-94.8000109.5W154 I159 V215 A216 L218 E267 A268W154-Y245 AromaticContact CH2-CD1 3.93Å; W154-Y245 HydrophobicContact CH2-CD1 3.93Å; W154-Y245 HydrophobicContact CH2-CE1 4.08Å; W154-Y245 HydrophobicContact CZ3-CD1 4.46Å; I159-Y245 HydrophobicContact CD1-CD1 4.08Å; I159-Y245 HydrophobicContact CD1-CD2 3.67Å; I159-Y245 HydrophobicContact CD1-CE1 4.25Å; I159-Y245 HydrophobicContact CD1-CE2 3.85Å; I159-Y245 HydrophobicContact CD1-CG 3.78Å; I159-Y245 HydrophobicContact CG1-CD1 4.45Å; I159-Y245 HydrophobicContact CG1-CD2 4.29Å; I159-Y245 HydrophobicContact CG1-CE1 4.12Å; I159-Y245 HydrophobicContact CG1-CE2 3.95Å; I159-Y245 HydrophobicContact CG2-CE2 4.31Å; V215-Y245 HydrophobicContact CG1-CD2 3.66Å; V215-Y245 HydrophobicContact CG1-CE2 3.76Å; A216-Y245 PolarHBondContact O-N 3.48Å; L218-Y245 PolarHBondContact N-O 2.99Å; Y245-E267 HydrophobicContact CD1-CB 4.21Å; Y245-E267 HydrophobicContact CD1-CG 4.49Å; Y245-E267 HydrophobicContact CD2-CB 4.47Å; Y245-E267 HydrophobicContact CE1-CB 3.87Å; Y245-E267 HydrophobicContact CE1-CG 3.67Å; Y245-E267 HydrophobicContact CE2-CB 4.15Å; Y245-E267 HydrophobicContact CE2-CG 4.14Å; Y245-E267 VanDerWaalsContact CZ-CG 3.47Å; Y245-E267 WeakPolarHBondContact OH-CG 3.41Å; Y245-A268 HydrophobicContact CD1-CB 3.91Å; Y245-A268 HydrophobicContact CE1-CB 4.03Å
246A98.8Very high97.9Very high0 Ų031 Ų310%021%0.206CC..EExtended strand (participates in β ladder)trans-122.8132.916500000109.6L218 F266 A268 V269 V270L218-A246 HydrophobicContact CB-CB 4.33Å; L218-A246 CarbonylContact O-C 3.36Å; L218-A246 WeakPolarHBondContact O-CA 3.43Å; A246-F266 HydrophobicContact CB-CD1 3.96Å; A246-F266 HydrophobicContact CB-CE1 3.62Å; A246-F266 HydrophobicContact CB-CZ 4.11Å; A246-A268 PolarHBondContact N-O 3.02Å; A246-A268 VanDerWaalsContact N-O 3.08Å; A246-V269 HydrophobicContact CB-CG1 4.35Å; A246-V269 HydrophobicContact CB-CG2 4.31Å; A246-V269 CarbonylContact O-C 3.59Å; A246-V269 WeakPolarHBondContact O-CA 3.38Å; A246-V270 PolarHBondContact O-N 3.1Å
247I98.8Very high98Very high2 Ų231 Ų311%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-125.1125.6175.6-52.4-177.7000108.1V151 W154 I155 I217 L218 V219 D220 V270V151-I247 HydrophobicContact CB-CG2 4.4Å; V151-I247 HydrophobicContact CG1-CD1 4Å; V151-I247 HydrophobicContact CG1-CG2 3.84Å; V151-I247 HydrophobicContact CG2-CG2 3.74Å; W154-I247 HydrophobicContact CE3-CD1 3.85Å; W154-I247 HydrophobicContact CZ3-CD1 3.94Å; W154-I247 HydrophobicContact CZ3-CG1 4.49Å; I155-I247 HydrophobicContact CD1-CD1 3.81Å; I155-I247 HydrophobicContact CG1-CD1 3.53Å; I217-I247 HydrophobicContact CG2-CD1 3.64Å; I217-I247 HydrophobicContact CG2-CG1 3.88Å; L218-I247 PolarHBondContact O-N 3.34Å; V219-I247 WeakPolarHBondContact CA-O 3.04Å; V219-I247 HydrophobicContact CG2-CB 4.41Å; D220-I247 PolarHBondContact N-O 3.49Å; D220-I247 VanDerWaalsContact N-O 3.16Å; I247-V270 CarbonylContact C-O 3.55Å; I247-V270 WeakPolarHBondContact CA-O 3.11Å; I247-V270 HydrophobicContact CB-CB 4.45Å; I247-V270 HydrophobicContact CG1-CB 4.1Å; I247-V270 HydrophobicContact CG1-CG2 4.22Å; I247-V270 HydrophobicContact CG2-CB 4.27Å
248L98.7Very high98Very high3 Ų329.3 Ų29.32%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-132.3136-176.5-46159.3000108.5D220 A223 I229 F253 V269 V270 V271 T272D220-L248 HydrophobicContact CB-CD2 3.6Å; D220-L248 WeakPolarHBondContact O-CA 3.4Å; A223-L248 HydrophobicContact CB-CD1 3.28Å; A223-L248 HydrophobicContact CB-CD2 3.88Å; A223-L248 HydrophobicContact CB-CG 4.17Å; I229-L248 HydrophobicContact CD1-CD1 4.17Å; I229-L248 HydrophobicContact CG2-CD2 4.5Å; L248-F253 HydrophobicContact CD1-CE1 3.61Å; L248-F253 HydrophobicContact CD1-CZ 3.81Å; L248-V269 HydrophobicContact CD1-CG1 4.26Å; L248-V270 PolarHBondContact N-O 3.14Å; L248-V271 HydrophobicContact CB-CG1 4.17Å; L248-V271 HydrophobicContact CD1-CG1 4.14Å; L248-V271 VanDerWaalsContact O-CA 3.25Å; L248-V271 WeakPolarHBondContact O-CA 3.34Å; L248-T272 PolarHBondContact O-N 3.14Å
249T98.5Very high98.1Very high8 Ų827.5 Ų27.55%0.04918%0.184CC..EExtended strand (participates in β ladder)trans-65.6-54.8171.7-56.50000109.5M127 D128 A147 D220 D221 T272 T274M127-T249 HydrophobicContact CG-CG2 4.07Å; M127-T249 HydrophobicContact SD-CG2 4.21Å; D128-T249 HydrophobicContact CB-CG2 3.92Å; D128-T249 VanDerWaalsContact OD2-CG2 3.32Å; D128-T249 WeakPolarHBondContact OD2-CG2 3.28Å; D128-T249 PolarHBondContact OD2-OG1 2.89Å; A147-T249 HydrophobicContact CB-CG2 3.83Å; D220-T249 PolarHBondContact O-N 2.69Å; D221-T249 CarbonylContact O-C 3.51Å; D221-T249 WeakPolarHBondContact O-CA 3.47Å; D221-T249 WeakPolarHBondContact O-CB 3.44Å; D221-T249 PolarHBondContact O-N 2.93Å; D221-T249 VanDerWaalsContact O-N 3.12Å; T249-T272 HydrophobicContact CG2-CG2 3.94Å; T249-T272 WeakPolarHBondContact O-CB 3.19Å; T249-T272 PolarHBondContact O-N 3.04Å; T249-T272 VanDerWaalsContact O-N 3.16Å; T249-T272 PolarHBondContact O-OG1 3.36Å; T249-T274 HydrophobicContact CG2-CG2 4.37Å; T249-T274 PolarHBondContact O-OG1 2.68Å
250H98.5Very high98.1Very high2 Ų230.3 Ų30.31%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-106104.1-175-44-67.1000112.5P90 M127 D128 D221 M222 A223 I252 T274 I275P90-H250 PolarHBondContact O-CE1 3.23Å; M127-H250 PolarHBondContact O-CE1 2.86Å; M127-H250 PolarHBondContact O-NE2 2.85Å; M127-H250 VanDerWaalsContact O-NE2 3.11Å; D128-H250 PolarHBondContact O-NE2 3.44Å; D221-H250 PolarHBondContact O-CD2 2.87Å; D221-H250 VanDerWaalsContact O-CD2 3.29Å; D221-H250 PolarHBondContact O-N 2.78Å; M222-H250 VanDerWaalsContact CA-O 3.24Å; M222-H250 WeakPolarHBondContact CA-O 3.22Å; M222-H250 HydrophobicContact CB-CB 3.78Å; M222-H250 WeakPolarHBondContact CB-O 3.34Å; A223-H250 PolarHBondContact N-O 2.81Å; A223-H250 VanDerWaalsContact N-O 3.16Å; H250-I252 PolarHBondContact O-N 3.12Å; H250-I252 VanDerWaalsContact O-N 3.17Å; H250-T274 PolarHBondContact ND1-OG1 3.16Å; H250-I275 HydrophobicContact CB-CD1 4.3Å
251G98.1Very high98.1Very high0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-80.880.6173.800000113Q277G251-Q277 PolarHBondContact O-NE2 3.38Å
252I98Very high98.1Very high45 Ų4531.5 Ų31.523%0.23119%0.186CC..  trans-71.4-46.7179.7-65.9160.5000110.6M222 A223 H250 S254 I275 K280M222-I252 HydrophobicContact CB-CD1 4.23Å; M222-I252 HydrophobicContact CG-CD1 4.42Å; M222-I252 HydrophobicContact SD-CD1 3.83Å; A223-I252 WeakPolarHBondContact O-CB 3.35Å; A223-I252 PolarHBondContact O-N 3.07Å; H250-I252 PolarHBondContact O-N 3.12Å; H250-I252 VanDerWaalsContact O-N 3.17Å; I252-S254 PolarHBondContact O-N 2.88Å; I252-I275 HydrophobicContact CB-CD1 4.37Å; I252-I275 HydrophobicContact CG1-CD1 3.5Å; I252-I275 VanDerWaalsContact CG1-CD1 3.5Å; I252-K280 WeakPolarHBondContact O-CE 3.14Å; I252-K280 PolarHBondContact O-NZ 3.08Å; I252-K280 VanDerWaalsContact O-NZ 3.14Å
253F97.7Very high98.1Very high4 Ų434.5 Ų34.52%0.01820%0.199CC..  trans49.154.9169.9-59.3-27.8000114A223 D224 C226 L248 A257 I258 I261 V269 V271 K280 I287A223-F253 HydrophobicContact CB-CD1 4.49Å; A223-F253 HydrophobicContact CB-CE1 4.11Å; A223-F253 PolarHBondContact O-N 2.99Å; A223-F253 VanDerWaalsContact O-N 3.08Å; D224-F253 CarbonylContact O-C 3.5Å; D224-F253 WeakPolarHBondContact O-CA 3.35Å; D224-F253 PolarHBondContact O-N 2.88Å; C226-F253 WeakPolarHBondContact SG-CD1 3.42Å; L248-F253 HydrophobicContact CD1-CE1 3.61Å; L248-F253 HydrophobicContact CD1-CZ 3.81Å; F253-A257 VanDerWaalsContact C-CB 3.43Å; F253-A257 VanDerWaalsContact CA-CB 3.44Å; F253-A257 HydrophobicContact CB-CB 3.88Å; F253-A257 HydrophobicContact CD1-CB 4.41Å; F253-I258 HydrophobicContact CB-CD1 4.35Å; F253-I261 HydrophobicContact CD1-CD1 3.97Å; F253-I261 HydrophobicContact CE1-CD1 3.76Å; F253-I261 HydrophobicContact CE2-CD1 4.47Å; F253-I261 HydrophobicContact CG-CD1 4.39Å; F253-I261 HydrophobicContact CZ-CD1 4.01Å; F253-V269 HydrophobicContact CE1-CG1 4.44Å; F253-V269 HydrophobicContact CZ-CG1 3.81Å; F253-V271 HydrophobicContact CE1-CG1 4.41Å; F253-V271 HydrophobicContact CE2-CB 4.49Å; F253-V271 HydrophobicContact CE2-CG1 3.52Å; F253-V271 HydrophobicContact CE2-CG2 4.28Å; F253-V271 HydrophobicContact CZ-CG1 3.32Å; F253-K280 HydrophobicContact CB-CD 3.65Å; F253-K280 HydrophobicContact CD2-CD 3.7Å; F253-K280 HydrophobicContact CG-CD 4.19Å; F253-K280 PolarHBondContact O-NZ 2.53Å; F253-I287 HydrophobicContact CD2-CD1 4.15Å; F253-I287 HydrophobicContact CE2-CD1 3.93Å; F253-I287 HydrophobicContact CE2-CG1 4.47Å
254S95.5Very high98.2Very high48 Ų4831.3 Ų31.334%0.33619%0.188SC..  trans-89.9160.4179.581.80000112.5D224 I252 A257D224-S254 PolarHBondContact O-N 2.86Å; D224-S254 WeakPolarHBondContact OD1-CB 3.23Å; D224-S254 PolarHBondContact OD1-OG 3.17Å; I252-S254 PolarHBondContact O-N 2.88Å; S254-A257 VanDerWaalsContact O-CB 3.31Å; S254-A257 WeakPolarHBondContact O-CB 3.47Å; S254-A257 PolarHBondContact O-N 3.06Å
255G96.5Very high98.1Very high73 Ų7333.3 Ų33.375%0.75320%0.202SC*.THydrogen-bonded Turntrans55.4-123.9175.700000112.8A257G255-A257 PolarHBondContact O-N 3.16Å
256P97.7Very high98.1Very high53 Ų5333 Ų3334%0.34420%0.201SC..THydrogen-bonded Turntrans-79.911.9-175.336.1-38.2000114I258 S259 R260P256-I258 PolarHBondContact O-N 3.08Å; P256-S259 PolarHBondContact O-N 3.32Å; P256-S259 PolarHBondContact O-OG 3.09Å; P256-R260 HydrophobicContact CB-CG 4.47Å; P256-R260 WeakPolarHBondContact O-CB 3.21Å; P256-R260 VanDerWaalsContact O-CG 3.29Å; P256-R260 WeakPolarHBondContact O-CG 3.35Å; P256-R260 PolarHBondContact O-N 2.81Å
257A98.1Very high98.1Very high0 Ų037.8 Ų37.80%022%0.223CC..Hα-helixtrans-56.2-49.9-172.800000113.3D224 C226 F253 S254 G255 S259 R260 I261D224-A257 WeakPolarHBondContact O-CB 3.48Å; C226-A257 HydrophobicContact CB-CB 4.33Å; F253-A257 VanDerWaalsContact C-CB 3.43Å; F253-A257 VanDerWaalsContact CA-CB 3.44Å; F253-A257 HydrophobicContact CB-CB 3.88Å; F253-A257 HydrophobicContact CD1-CB 4.41Å; S254-A257 VanDerWaalsContact O-CB 3.31Å; S254-A257 WeakPolarHBondContact O-CB 3.47Å; S254-A257 PolarHBondContact O-N 3.06Å; G255-A257 PolarHBondContact O-N 3.16Å; A257-S259 PolarHBondContact O-N 3.14Å; A257-R260 WeakPolarHBondContact O-CB 3.35Å; A257-R260 PolarHBondContact O-N 2.9Å; A257-I261 VanDerWaalsContact O-CG1 3.32Å; A257-I261 WeakPolarHBondContact O-CG1 3.36Å; A257-I261 PolarHBondContact O-N 2.73Å
258I98.5Very high98.1Very high32 Ų3237.9 Ų37.916%0.16422%0.224CC..Hα-helixtrans-64.3-44.3-176.1-62.9-58.5000111.8F253 P256 R260 I261 N262 K280 H283 C284 I287F253-I258 HydrophobicContact CB-CD1 4.35Å; P256-I258 PolarHBondContact O-N 3.08Å; I258-R260 VanDerWaalsContact C-N 3.33Å; I258-R260 PolarHBondContact O-N 3.17Å; I258-I261 PolarHBondContact O-N 3.04Å; I258-N262 WeakPolarHBondContact O-CB 3.34Å; I258-N262 PolarHBondContact O-N 3.26Å; I258-N262 PolarHBondContact O-ND2 3.33Å; I258-K280 HydrophobicContact CD1-CB 3.87Å; I258-K280 HydrophobicContact CD1-CD 4.34Å; I258-K280 HydrophobicContact CD1-CG 4.23Å; I258-H283 HydrophobicContact CG2-CB 3.86Å; I258-C284 HydrophobicContact CD1-CB 4.45Å; I258-C284 HydrophobicContact CG2-CB 4.09Å; I258-I287 HydrophobicContact CD1-CD1 3.77Å
259S98.4Very high98.1Very high62 Ų6237.7 Ų37.743%0.43422%0.223SC..Hα-helixtrans-65-38.5176.660.30000111.8P256 A257 N262 N263P256-S259 PolarHBondContact O-N 3.32Å; P256-S259 PolarHBondContact O-OG 3.09Å; A257-S259 PolarHBondContact O-N 3.14Å; S259-N262 PolarHBondContact O-N 3.27Å; S259-N263 WeakPolarHBondContact O-CB 3.23Å; S259-N263 VanDerWaalsContact O-CG 3.27Å; S259-N263 PolarHBondContact O-N 3.16Å; S259-N263 PolarHBondContact O-ND2 2.95Å; S259-N263 VanDerWaalsContact O-ND2 3.11Å
260R98.5Very high98.1Very high97 Ų9737.3 Ų37.337%0.36622%0.221SC..Hα-helixtrans-62.8-45.6174.1-76.4172.8172.4175.2-1.3112.2T225 P256 A257 I258 N263 A264T225-R260 WeakPolarHBondContact O-CD 3.23Å; T225-R260 PolarHBondContact O-NH1 3.1Å; T225-R260 PolarHBondContact OG1-NH1 2.87Å; P256-R260 HydrophobicContact CB-CG 4.47Å; P256-R260 WeakPolarHBondContact O-CB 3.21Å; P256-R260 VanDerWaalsContact O-CG 3.29Å; P256-R260 WeakPolarHBondContact O-CG 3.35Å; P256-R260 PolarHBondContact O-N 2.81Å; A257-R260 WeakPolarHBondContact O-CB 3.35Å; A257-R260 PolarHBondContact O-N 2.9Å; I258-R260 VanDerWaalsContact C-N 3.33Å; I258-R260 PolarHBondContact O-N 3.17Å; R260-N263 PolarHBondContact O-N 3.41Å; R260-A264 WeakPolarHBondContact O-CB 3.47Å; R260-A264 PolarHBondContact O-N 3.34Å
261I98.6Very high98.1Very high0 Ų037.3 Ų37.30%022%0.221CC..Hα-helixtrans-62.2-44.9177.6-67.8164.4000110.9C226 F253 A257 I258 N263 A264 V269 C284 K286C226-I261 HydrophobicContact CB-CG1 4.22Å; F253-I261 HydrophobicContact CD1-CD1 3.97Å; F253-I261 HydrophobicContact CE1-CD1 3.76Å; F253-I261 HydrophobicContact CE2-CD1 4.47Å; F253-I261 HydrophobicContact CG-CD1 4.39Å; F253-I261 HydrophobicContact CZ-CD1 4.01Å; A257-I261 VanDerWaalsContact O-CG1 3.32Å; A257-I261 WeakPolarHBondContact O-CG1 3.36Å; A257-I261 PolarHBondContact O-N 2.73Å; I258-I261 PolarHBondContact O-N 3.04Å; I261-N263 VanDerWaalsContact C-N 3.3Å; I261-N263 PolarHBondContact O-N 2.85Å; I261-A264 PolarHBondContact O-N 2.86Å; I261-V269 HydrophobicContact CD1-CG1 4.47Å; I261-V269 HydrophobicContact CG1-CG2 4.47Å; I261-V269 HydrophobicContact CG2-CB 4.28Å; I261-V269 HydrophobicContact CG2-CG2 3.57Å; I261-C284 VanDerWaalsContact CG2-SG 3.51Å; I261-K286 HydrophobicContact CG2-CB 4.32Å; I261-K286 HydrophobicContact CG2-CD 4.42Å; I261-K286 PolarHBondContact O-NZ 2.96Å
262N98.5Very high98.1Very high61 Ų6137.3 Ų37.333%0.32622%0.221SC..Hα-helixtrans-58.8-42.7178-78.8-29.2000111.7I258 S259 H283 C284 K286I258-N262 WeakPolarHBondContact O-CB 3.34Å; I258-N262 PolarHBondContact O-N 3.26Å; I258-N262 PolarHBondContact O-ND2 3.33Å; S259-N262 PolarHBondContact O-N 3.27Å; N262-H283 PolarHBondContact ND2-O 2.98Å; N262-C284 PolarHBondContact OD1-SG 3.46Å; N262-K286 PolarHBondContact O-NZ 2.99Å
263N98.3Very high98.1Very high145 Ų14535.3 Ų35.378%0.77521%0.211SC*.Hα-helixtrans-80.3-21.2-179.6-66.7-29000114.2S259 R260 I261S259-N263 WeakPolarHBondContact O-CB 3.23Å; S259-N263 VanDerWaalsContact O-CG 3.27Å; S259-N263 PolarHBondContact O-N 3.16Å; S259-N263 PolarHBondContact O-ND2 2.95Å; S259-N263 VanDerWaalsContact O-ND2 3.11Å; R260-N263 PolarHBondContact O-N 3.41Å; I261-N263 VanDerWaalsContact C-N 3.3Å; I261-N263 PolarHBondContact O-N 2.85Å
264A98.1Very high98.2Very high8 Ų835.1 Ų35.17%0.06621%0.21CC..SBendtrans-75.1159.2-179.300000112C230 R260 I261 F266 K286C230-A264 HydrophobicContact CB-CB 4.14Å; R260-A264 WeakPolarHBondContact O-CB 3.47Å; R260-A264 PolarHBondContact O-N 3.34Å; I261-A264 PolarHBondContact O-N 2.86Å; A264-F266 HydrophobicContact CB-CD2 3.58Å; A264-F266 HydrophobicContact CB-CE2 3.65Å; A264-F266 PolarHBondContact O-N 2.94Å; A264-K286 PolarHBondContact O-NZ 2.94Å
265C97.5Very high98.3Very high42 Ų4233.2 Ų33.228%0.28420%0.196SC..  trans-79.623.9-175.657.40000115.2A233 L237A233-C265 VanDerWaalsContact CB-SG 3.59Å; L237-C265 HydrophobicContact CD1-CB 3.37Å; L237-C265 WeakPolarHBondContact CD1-SG 3.37Å; L237-C265 HydrophobicContact CG-CB 4.4Å
266F98.6Very high98.3Very high7 Ų731.6 Ų31.63%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-70.4135.3177.2-63-62.6000112.1L218 I229 A233 V244 A246 A264 V269 K286L218-F266 HydrophobicContact CD1-CE1 4.01Å; I229-F266 HydrophobicContact CB-CZ 4.17Å; I229-F266 HydrophobicContact CD1-CZ 4.28Å; I229-F266 HydrophobicContact CG1-CZ 4.13Å; I229-F266 WeakPolarHBondContact O-CZ 3.34Å; A233-F266 HydrophobicContact CB-CD1 4.14Å; A233-F266 HydrophobicContact CB-CE1 3.53Å; A233-F266 HydrophobicContact CB-CZ 3.77Å; V244-F266 HydrophobicContact CG1-CD1 4.04Å; V244-F266 HydrophobicContact CG1-CE1 4.05Å; V244-F266 WeakPolarHBondContact O-CA 3.45Å; A246-F266 HydrophobicContact CB-CD1 3.96Å; A246-F266 HydrophobicContact CB-CE1 3.62Å; A246-F266 HydrophobicContact CB-CZ 4.11Å; A264-F266 HydrophobicContact CB-CD2 3.58Å; A264-F266 HydrophobicContact CB-CE2 3.65Å; A264-F266 PolarHBondContact O-N 2.94Å; F266-V269 HydrophobicContact CB-CG2 3.87Å; F266-V269 HydrophobicContact CD1-CG2 4.41Å; F266-V269 HydrophobicContact CD2-CG2 3.64Å; F266-V269 HydrophobicContact CE2-CG2 4.26Å; F266-V269 HydrophobicContact CG-CG2 3.73Å; F266-K286 WeakPolarHBondContact O-CE 3.38Å
267E98.6Very high98.3Very high101 Ų10129.1 Ų29.147%0.47216%0.156SC..EExtended strand (participates in β ladder)trans-70.1-48.3165.7-17468.8-17300110V244 Y245V244-E267 PolarHBondContact O-N 2.59Å; Y245-E267 HydrophobicContact CD1-CB 4.21Å; Y245-E267 HydrophobicContact CD1-CG 4.49Å; Y245-E267 HydrophobicContact CD2-CB 4.47Å; Y245-E267 HydrophobicContact CE1-CB 3.87Å; Y245-E267 HydrophobicContact CE1-CG 3.67Å; Y245-E267 HydrophobicContact CE2-CB 4.15Å; Y245-E267 HydrophobicContact CE2-CG 4.14Å; Y245-E267 VanDerWaalsContact CZ-CG 3.47Å; Y245-E267 WeakPolarHBondContact OH-CG 3.41Å
268A98.7Very high98.2Very high4 Ų433 Ų333%0.03317%0.174CC..EExtended strand (participates in β ladder)trans-150.1153.7169.200000111.2Y245 A246 K286Y245-A268 HydrophobicContact CD1-CB 3.91Å; Y245-A268 HydrophobicContact CE1-CB 4.03Å; A246-A268 PolarHBondContact N-O 3.02Å; A246-A268 VanDerWaalsContact N-O 3.08Å; A268-K286 WeakPolarHBondContact CA-O 3.38Å
269V98.8Very high98.1Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-116.1110.3169.8-178.70000108.1A246 L248 F253 I261 F266 K286 I287 Q288A246-V269 HydrophobicContact CB-CG1 4.35Å; A246-V269 HydrophobicContact CB-CG2 4.31Å; A246-V269 CarbonylContact O-C 3.59Å; A246-V269 WeakPolarHBondContact O-CA 3.38Å; L248-V269 HydrophobicContact CD1-CG1 4.26Å; F253-V269 HydrophobicContact CE1-CG1 4.44Å; F253-V269 HydrophobicContact CZ-CG1 3.81Å; I261-V269 HydrophobicContact CD1-CG1 4.47Å; I261-V269 HydrophobicContact CG1-CG2 4.47Å; I261-V269 HydrophobicContact CG2-CB 4.28Å; I261-V269 HydrophobicContact CG2-CG2 3.57Å; F266-V269 HydrophobicContact CB-CG2 3.87Å; F266-V269 HydrophobicContact CD1-CG2 4.41Å; F266-V269 HydrophobicContact CD2-CG2 3.64Å; F266-V269 HydrophobicContact CE2-CG2 4.26Å; F266-V269 HydrophobicContact CG-CG2 3.73Å; V269-K286 PolarHBondContact N-O 2.76Å; V269-I287 CarbonylContact O-C 3.59Å; V269-I287 VanDerWaalsContact O-CA 3.26Å; V269-I287 WeakPolarHBondContact O-CA 3.29Å; V269-Q288 PolarHBondContact O-N 3.31Å
270V98.9Very high98.1Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-99.8131.4-175.8-168.80000109.2W154 A246 I247 L248 Q288 I290W154-V270 HydrophobicContact CD2-CG1 4.07Å; W154-V270 HydrophobicContact CD2-CG2 4.02Å; W154-V270 HydrophobicContact CE3-CG2 4.01Å; W154-V270 HydrophobicContact CG-CG1 4.33Å; W154-V270 HydrophobicContact CH2-CG2 3.34Å; W154-V270 HydrophobicContact CZ2-CG2 3.29Å; W154-V270 HydrophobicContact CZ3-CG2 3.69Å; A246-V270 PolarHBondContact O-N 3.1Å; I247-V270 CarbonylContact C-O 3.55Å; I247-V270 WeakPolarHBondContact CA-O 3.11Å; I247-V270 HydrophobicContact CB-CB 4.45Å; I247-V270 HydrophobicContact CG1-CB 4.1Å; I247-V270 HydrophobicContact CG1-CG2 4.22Å; I247-V270 HydrophobicContact CG2-CB 4.27Å; L248-V270 PolarHBondContact N-O 3.14Å; V270-Q288 WeakPolarHBondContact CA-O 3.36Å; V270-Q288 HydrophobicContact CG2-CB 4.46Å; V270-I290 HydrophobicContact CG1-CD1 3.61Å; V270-I290 HydrophobicContact CG1-CG1 3.68Å
271V98.8Very high98Very high1 Ų134.3 Ų34.31%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-131.4161.7176.5-67.20000111.4L248 F253 Q277 I287 Q288 V289 I290L248-V271 HydrophobicContact CB-CG1 4.17Å; L248-V271 HydrophobicContact CD1-CG1 4.14Å; L248-V271 VanDerWaalsContact O-CA 3.25Å; L248-V271 WeakPolarHBondContact O-CA 3.34Å; F253-V271 HydrophobicContact CE1-CG1 4.41Å; F253-V271 HydrophobicContact CE2-CB 4.49Å; F253-V271 HydrophobicContact CE2-CG1 3.52Å; F253-V271 HydrophobicContact CE2-CG2 4.28Å; F253-V271 HydrophobicContact CZ-CG1 3.32Å; V271-Q277 HydrophobicContact CG2-CG 3.74Å; V271-I287 HydrophobicContact CG2-CG2 3.99Å; V271-Q288 PolarHBondContact N-O 3.49Å; V271-V289 HydrophobicContact CG2-CG2 4.12Å; V271-V289 CarbonylContact O-C 3.42Å; V271-V289 VanDerWaalsContact O-CA 3.29Å; V271-V289 WeakPolarHBondContact O-CA 3.24Å; V271-I290 PolarHBondContact O-N 3.46Å
272T98.8Very high98Very high1 Ų142 Ų421%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-85.9163.6163.7730000111A147 L248 T249 T274 I290 I292A147-T272 HydrophobicContact CB-CG2 3.96Å; L248-T272 PolarHBondContact O-N 3.14Å; T249-T272 HydrophobicContact CG2-CG2 3.94Å; T249-T272 WeakPolarHBondContact O-CB 3.19Å; T249-T272 PolarHBondContact O-N 3.04Å; T249-T272 VanDerWaalsContact O-N 3.16Å; T249-T272 PolarHBondContact O-OG1 3.36Å; T272-T274 PolarHBondContact O-N 2.94Å; T272-T274 WeakPolarHBondContact OG1-CB 3.32Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.31Å; T272-T274 PolarHBondContact OG1-N 2.53Å; T272-T274 PolarHBondContact OG1-OG1 2.94Å; T272-I290 VanDerWaalsContact CA-O 3.3Å; T272-I290 WeakPolarHBondContact CA-O 3.34Å; T272-I290 HydrophobicContact CG2-CB 4.47Å; T272-I292 HydrophobicContact CG2-CG2 3.69Å
273N98.1Very high98Very high2 Ų244.6 Ų44.61%0.01122%0.224CC..THydrogen-bonded Turntrans-82.229.5166.164.4-20.3000113.3H12 I275 V289 I290 D291 I292H12-N273 PolarHBondContact CD2-O 2.83Å; H12-N273 PolarHBondContact NE2-O 2.9Å; H12-N273 VanDerWaalsContact NE2-O 3.07Å; N273-I275 PolarHBondContact O-N 3.09Å; N273-V289 HydrophobicContact CB-CG1 3.78Å; N273-I290 PolarHBondContact N-O 3.37Å; N273-I290 VanDerWaalsContact N-O 3.13Å; N273-I290 PolarHBondContact OD1-O 2.63Å; N273-D291 PolarHBondContact ND2-OD1 3.4Å; N273-D291 WeakPolarHBondContact OD1-CA 3.33Å; N273-I292 VanDerWaalsContact OD1-CD1 3.3Å; N273-I292 WeakPolarHBondContact OD1-CD1 3.16Å; N273-I292 VanDerWaalsContact OD1-CG1 3.22Å; N273-I292 WeakPolarHBondContact OD1-CG1 3.36Å; N273-I292 PolarHBondContact OD1-N 3.05Å
274T98.3Very high98Very high0 Ų037.8 Ų37.80%019%0.187CC..THydrogen-bonded Turntrans-63-21.7168.149.90000112.2S58 P90 M127 T249 H250 T272 I292S58-T274 WeakPolarHBondContact CB-O 3.33Å; S58-T274 PolarHBondContact OG-O 3.03Å; P90-T274 HydrophobicContact CB-CG2 3.84Å; M127-T274 HydrophobicContact CB-CG2 4.33Å; M127-T274 HydrophobicContact CG-CG2 4.39Å; M127-T274 HydrophobicContact SD-CG2 3.76Å; T249-T274 HydrophobicContact CG2-CG2 4.37Å; T249-T274 PolarHBondContact O-OG1 2.68Å; H250-T274 PolarHBondContact ND1-OG1 3.16Å; T272-T274 PolarHBondContact O-N 2.94Å; T272-T274 WeakPolarHBondContact OG1-CB 3.32Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.31Å; T272-T274 PolarHBondContact OG1-N 2.53Å; T272-T274 PolarHBondContact OG1-OG1 2.94Å; T274-I292 HydrophobicContact CG2-CD1 4.32Å; T274-I292 HydrophobicContact CG2-CG1 3.9Å
275I97.8Very high98Very high8 Ų843 Ų434%0.04122%0.224CC..SBendtrans-128.7141.7172.2-63-175.4000107C60 C91 H250 I252 N273 Q277C60-I275 HydrophobicContact CB-CB 4.18Å; C60-I275 HydrophobicContact CB-CD1 3.94Å; C60-I275 HydrophobicContact CB-CG1 3.8Å; C60-I275 HydrophobicContact CB-CG2 3.61Å; C91-I275 HydrophobicContact CB-CD1 4.15Å; C91-I275 HydrophobicContact CB-CG1 3.97Å; H250-I275 HydrophobicContact CB-CD1 4.3Å; I252-I275 HydrophobicContact CB-CD1 4.37Å; I252-I275 HydrophobicContact CG1-CD1 3.5Å; I252-I275 VanDerWaalsContact CG1-CD1 3.5Å; N273-I275 PolarHBondContact O-N 3.09Å; I275-Q277 VanDerWaalsContact O-CG 3.32Å; I275-Q277 WeakPolarHBondContact O-CG 3.32Å; I275-Q277 PolarHBondContact O-N 2.84Å; I275-Q277 PolarHBondContact O-NE2 3.29Å
276P97.3Very high98Very high40 Ų4043.4 Ų43.426%0.2622%0.22SC..  trans-56.2134.2177.7-21.529000112.9S11 H12S11-P276 WeakPolarHBondContact O-CG 3.49Å; H12-P276 HydrophobicContact CB-CG 4.01Å; H12-P276 VanDerWaalsContact CD2-CD 3.44Å; H12-P276 WeakPolarHBondContact CD2-CD 3.44Å
277Q97.6Very high98Very high1 Ų143.4 Ų43.41%0.00522%0.221CC..  trans-124.3-8.5-175.9-56.9-56.9-4500113.8G251 V271 I275 D279 K280 M281 V289G251-Q277 PolarHBondContact O-NE2 3.38Å; V271-Q277 HydrophobicContact CG2-CG 3.74Å; I275-Q277 VanDerWaalsContact O-CG 3.32Å; I275-Q277 WeakPolarHBondContact O-CG 3.32Å; I275-Q277 PolarHBondContact O-N 2.84Å; I275-Q277 PolarHBondContact O-NE2 3.29Å; Q277-D279 VanDerWaalsContact C-N 3.26Å; Q277-D279 PolarHBondContact O-N 3.36Å; Q277-K280 WeakPolarHBondContact O-CB 3.29Å; Q277-K280 PolarHBondContact O-N 3.07Å; Q277-M281 HydrophobicContact CB-CG 4.45Å; Q277-M281 HydrophobicContact CB-SD 4.44Å; Q277-M281 WeakPolarHBondContact O-CG 3.37Å; Q277-M281 PolarHBondContact O-N 2.85Å; Q277-V289 HydrophobicContact CB-CG2 3.74Å; Q277-V289 HydrophobicContact CG-CG2 4.03Å
278E95.8Very high98Very high80 Ų8042.2 Ų42.237%0.37422%0.215SC..Hα-helixtrans-58.1-40.2-169.5-61.870.8-154.400111.5K282E278-K282 WeakPolarHBondContact O-CG 3.48Å
279D96.1Very high98Very high95 Ų9544.5 Ų44.551%0.50823%0.229SC..Hα-helixtrans-70.5-43.1176.3-169.663.6000112.1Q277 M281 K282 H283Q277-D279 VanDerWaalsContact C-N 3.26Å; Q277-D279 PolarHBondContact O-N 3.36Å; D279-M281 VanDerWaalsContact C-N 3.31Å; D279-M281 PolarHBondContact O-N 3.31Å; D279-K282 WeakPolarHBondContact O-CB 3.34Å; D279-K282 PolarHBondContact O-N 3.47Å; D279-K282 VanDerWaalsContact O-N 3.17Å; D279-H283 PolarHBondContact O-CD2 3.34Å; D279-H283 VanDerWaalsContact O-CD2 3.24Å
280K97.6Very high98Very high44 Ų4445.4 Ų45.419%0.19123%0.233CC..Hα-helixtrans-64.1-36.3-179.2-62.1-174.3-169.4-71.50112.3I252 F253 I258 Q277 K282 H283 C284 I287I252-K280 WeakPolarHBondContact O-CE 3.14Å; I252-K280 PolarHBondContact O-NZ 3.08Å; I252-K280 VanDerWaalsContact O-NZ 3.14Å; F253-K280 HydrophobicContact CB-CD 3.65Å; F253-K280 HydrophobicContact CD2-CD 3.7Å; F253-K280 HydrophobicContact CG-CD 4.19Å; F253-K280 PolarHBondContact O-NZ 2.53Å; I258-K280 HydrophobicContact CD1-CB 3.87Å; I258-K280 HydrophobicContact CD1-CD 4.34Å; I258-K280 HydrophobicContact CD1-CG 4.23Å; Q277-K280 WeakPolarHBondContact O-CB 3.29Å; Q277-K280 PolarHBondContact O-N 3.07Å; K280-K282 VanDerWaalsContact C-N 3.34Å; K280-K282 PolarHBondContact O-N 3.04Å; K280-H283 CarbonylContact O-C 3.56Å; K280-H283 PolarHBondContact O-N 3.37Å; K280-C284 PolarHBondContact O-N 2.87Å; K280-C284 VanDerWaalsContact O-N 3.09Å; K280-I287 HydrophobicContact CB-CD1 4.15Å
281M98.2Very high98Very high80 Ų8048.3 Ų48.339%0.39425%0.249SC..Hα-helixtrans-65.2-33.8176-70.2173.170.700112.9Q277 D279 H283 C284 I287 V289Q277-M281 HydrophobicContact CB-CG 4.45Å; Q277-M281 HydrophobicContact CB-SD 4.44Å; Q277-M281 WeakPolarHBondContact O-CG 3.37Å; Q277-M281 PolarHBondContact O-N 2.85Å; D279-M281 VanDerWaalsContact C-N 3.31Å; D279-M281 PolarHBondContact O-N 3.31Å; M281-H283 PolarHBondContact O-N 3.07Å; M281-C284 CarbonylContact O-C 3.46Å; M281-C284 PolarHBondContact O-N 3.11Å; M281-I287 HydrophobicContact CG-CB 4.1Å; M281-I287 HydrophobicContact CG-CG2 3.72Å; M281-V289 HydrophobicContact CE-CG2 4.33Å; M281-V289 HydrophobicContact CG-CG2 4.28Å; M281-V289 HydrophobicContact SD-CB 4.41Å; M281-V289 HydrophobicContact SD-CG2 3.38Å; M281-V289 WeakPolarHBondContact SD-CG2 3.32Å
282K97.9Very high97.9Very high161 Ų16148.3 Ų48.370%0.725%0.249SC*.Hα-helixtrans-61.5-30174.6-63.9169.3-169.2169.50111.9E278 D279 K280E278-K282 WeakPolarHBondContact O-CG 3.48Å; D279-K282 WeakPolarHBondContact O-CB 3.34Å; D279-K282 PolarHBondContact O-N 3.47Å; D279-K282 VanDerWaalsContact O-N 3.17Å; K280-K282 VanDerWaalsContact C-N 3.34Å; K280-K282 PolarHBondContact O-N 3.04Å
283H97.9Very high97.9Very high116 Ų11648.2 Ų48.254%0.53725%0.248SC..THydrogen-bonded Turntrans-97.6-4.5-179-62.4-60.9000113.7I258 N262 D279 K280 M281I258-H283 HydrophobicContact CG2-CB 3.86Å; N262-H283 PolarHBondContact ND2-O 2.98Å; D279-H283 PolarHBondContact O-CD2 3.34Å; D279-H283 VanDerWaalsContact O-CD2 3.24Å; K280-H283 CarbonylContact O-C 3.56Å; K280-H283 PolarHBondContact O-N 3.37Å; M281-H283 PolarHBondContact O-N 3.07Å
284C98.1Very high97.9Very high2 Ų250.3 Ų50.31%0.01426%0.258CS..  trans-151.3104.4-177.5-169.30000111.7I258 I261 N262 K280 M281 K286 I287I258-C284 HydrophobicContact CD1-CB 4.45Å; I258-C284 HydrophobicContact CG2-CB 4.09Å; I261-C284 VanDerWaalsContact CG2-SG 3.51Å; N262-C284 PolarHBondContact OD1-SG 3.46Å; K280-C284 PolarHBondContact O-N 2.87Å; K280-C284 VanDerWaalsContact O-N 3.09Å; M281-C284 CarbonylContact O-C 3.46Å; M281-C284 PolarHBondContact O-N 3.11Å; C284-K286 PolarHBondContact O-N 3.24Å; C284-I287 HydrophobicContact CB-CD1 3.71Å; C284-I287 HydrophobicContact CB-CG1 3.91Å; C284-I287 PolarHBondContact O-N 2.98Å
285S98.1Very high97.8Very high119 Ų11950.6 Ų50.683%0.83226%0.26SS*.THydrogen-bonded Turntrans-69.5-13.6178.455.10000114.2I287S285-I287 VanDerWaalsContact C-N 3.33Å
286K98.4Very high97.9Very high49 Ų4950.2 Ų50.221%0.21326%0.258CS..THydrogen-bonded Turntrans-78.8-16.3177-63.9178.8177.7171.80112.9I261 N262 A264 F266 A268 V269 C284I261-K286 HydrophobicContact CG2-CB 4.32Å; I261-K286 HydrophobicContact CG2-CD 4.42Å; I261-K286 PolarHBondContact O-NZ 2.96Å; N262-K286 PolarHBondContact O-NZ 2.99Å; A264-K286 PolarHBondContact O-NZ 2.94Å; F266-K286 WeakPolarHBondContact O-CE 3.38Å; A268-K286 WeakPolarHBondContact CA-O 3.38Å; V269-K286 PolarHBondContact N-O 2.76Å; C284-K286 PolarHBondContact O-N 3.24Å
287I98.8Very high97.9Very high7 Ų748.4 Ų48.44%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-78.3126.6-177.1-65.6175.5000110F253 I258 V269 V271 K280 M281 C284 S285 V289F253-I287 HydrophobicContact CD2-CD1 4.15Å; F253-I287 HydrophobicContact CE2-CD1 3.93Å; F253-I287 HydrophobicContact CE2-CG1 4.47Å; I258-I287 HydrophobicContact CD1-CD1 3.77Å; V269-I287 CarbonylContact O-C 3.59Å; V269-I287 VanDerWaalsContact O-CA 3.26Å; V269-I287 WeakPolarHBondContact O-CA 3.29Å; V271-I287 HydrophobicContact CG2-CG2 3.99Å; K280-I287 HydrophobicContact CB-CD1 4.15Å; M281-I287 HydrophobicContact CG-CB 4.1Å; M281-I287 HydrophobicContact CG-CG2 3.72Å; C284-I287 HydrophobicContact CB-CD1 3.71Å; C284-I287 HydrophobicContact CB-CG1 3.91Å; C284-I287 PolarHBondContact O-N 2.98Å; S285-I287 VanDerWaalsContact C-N 3.33Å; I287-V289 HydrophobicContact CG2-CG2 4.33Å
288Q98.7Very high97.9Very high77 Ų7749.6 Ų49.636%0.3625%0.252SS..EExtended strand (participates in β ladder)trans-118.5148.4169.1-60-171.316.700110W154 V269 V270 V271W154-Q288 VanDerWaalsContact CZ2-OE1 3.26Å; V269-Q288 PolarHBondContact O-N 3.31Å; V270-Q288 WeakPolarHBondContact CA-O 3.36Å; V270-Q288 HydrophobicContact CG2-CB 4.46Å; V271-Q288 PolarHBondContact N-O 3.49Å
289V98.6Very high98.1Very high52 Ų5245.8 Ų45.832%0.31523%0.234SC..EExtended strand (participates in β ladder)trans-121.4124.8-173.9-178.30000110.8V271 N273 Q277 M281 I287V271-V289 HydrophobicContact CG2-CG2 4.12Å; V271-V289 CarbonylContact O-C 3.42Å; V271-V289 VanDerWaalsContact O-CA 3.29Å; V271-V289 WeakPolarHBondContact O-CA 3.24Å; N273-V289 HydrophobicContact CB-CG1 3.78Å; Q277-V289 HydrophobicContact CB-CG2 3.74Å; Q277-V289 HydrophobicContact CG-CG2 4.03Å; M281-V289 HydrophobicContact CE-CG2 4.33Å; M281-V289 HydrophobicContact CG-CG2 4.28Å; M281-V289 HydrophobicContact SD-CB 4.41Å; M281-V289 HydrophobicContact SD-CG2 3.38Å; M281-V289 WeakPolarHBondContact SD-CG2 3.32Å; I287-V289 HydrophobicContact CG2-CG2 4.33Å
290I98.6Very high98.2Very high19 Ų1941.3 Ų41.310%0.09721%0.21CC..EExtended strand (participates in β ladder)trans-88.2119.8167.9-60.2174.1000107.7A150 V151 W154 V270 V271 T272 N273 I292A150-I290 HydrophobicContact CB-CG2 3.86Å; V151-I290 HydrophobicContact CG2-CD1 4.35Å; W154-I290 HydrophobicContact CB-CD1 3.86Å; W154-I290 HydrophobicContact CB-CG1 4.4Å; W154-I290 HydrophobicContact CG-CD1 4.04Å; W154-I290 HydrophobicContact CG-CG1 4.28Å; V270-I290 HydrophobicContact CG1-CD1 3.61Å; V270-I290 HydrophobicContact CG1-CG1 3.68Å; V271-I290 PolarHBondContact O-N 3.46Å; T272-I290 VanDerWaalsContact CA-O 3.3Å; T272-I290 WeakPolarHBondContact CA-O 3.34Å; T272-I290 HydrophobicContact CG2-CB 4.47Å; N273-I290 PolarHBondContact N-O 3.37Å; N273-I290 VanDerWaalsContact N-O 3.13Å; N273-I290 PolarHBondContact OD1-O 2.63Å; I290-I292 HydrophobicContact CG2-CG2 4.39Å; I290-I292 PolarHBondContact O-N 2.82Å
291D98.1Very high98.2Very high61 Ų6142.6 Ų42.633%0.32621%0.214SC..  trans-75.6118.5173.9179.823.9000110.7R22 N273 S293R22-D291 IonicContact CZ-OD2 3.85Å; R22-D291 IonicContact NH2-OD2 2.69Å; R22-D291 PolarHBondContact NH2-OD2 3.17Å; N273-D291 PolarHBondContact ND2-OD1 3.4Å; N273-D291 WeakPolarHBondContact OD1-CA 3.33Å; D291-S293 WeakPolarHBondContact OD1-CB 2.99Å; D291-S293 PolarHBondContact OD1-N 2.95Å; D291-S293 PolarHBondContact OD1-OG 3.39Å; D291-S293 PolarHBondContact OD2-OG 3.2Å
292I98Very high98.1Very high0 Ų040.5 Ų40.50%020%0.201CC..  trans-102.64.5177.657.350.1000113.4L15 M127 T272 N273 T274 I290 M294 I295 L296L15-I292 HydrophobicContact CD1-CD1 3.55Å; L15-I292 HydrophobicContact CD2-CD1 4.03Å; L15-I292 HydrophobicContact CG-CD1 4.45Å; M127-I292 HydrophobicContact CE-CB 3.98Å; M127-I292 HydrophobicContact CE-CG1 4.31Å; M127-I292 HydrophobicContact CE-CG2 4.29Å; M127-I292 HydrophobicContact SD-CB 4.08Å; M127-I292 HydrophobicContact SD-CG1 4.03Å; M127-I292 HydrophobicContact SD-CG2 3.97Å; T272-I292 HydrophobicContact CG2-CG2 3.69Å; N273-I292 VanDerWaalsContact OD1-CD1 3.3Å; N273-I292 WeakPolarHBondContact OD1-CD1 3.16Å; N273-I292 VanDerWaalsContact OD1-CG1 3.22Å; N273-I292 WeakPolarHBondContact OD1-CG1 3.36Å; N273-I292 PolarHBondContact OD1-N 3.05Å; T274-I292 HydrophobicContact CG2-CD1 4.32Å; T274-I292 HydrophobicContact CG2-CG1 3.9Å; I290-I292 HydrophobicContact CG2-CG2 4.39Å; I290-I292 PolarHBondContact O-N 2.82Å; I292-M294 PolarHBondContact O-N 2.78Å; I292-I295 HydrophobicContact CB-CD1 4.44Å; I292-I295 HydrophobicContact CG2-CD1 4.2Å; I292-I295 WeakPolarHBondContact O-CB 3.46Å; I292-I295 PolarHBondContact O-N 3.08Å; I292-L296 HydrophobicContact CD1-CD1 3.49Å; I292-L296 VanDerWaalsContact CD1-CD1 3.49Å; I292-L296 HydrophobicContact CD1-CG 4.11Å; I292-L296 PolarHBondContact O-N 3.06Å; I292-L296 VanDerWaalsContact O-N 3.08Å
293S98.1Very high98.1Very high0 Ų033.5 Ų33.50%017%0.172CC..Hα-helixtrans-59.3-33.2-179.6610000112.6R22 D291 L296 A297R22-S293 PolarHBondContact NE-OG 2.89Å; D291-S293 WeakPolarHBondContact OD1-CB 2.99Å; D291-S293 PolarHBondContact OD1-N 2.95Å; D291-S293 PolarHBondContact OD1-OG 3.39Å; D291-S293 PolarHBondContact OD2-OG 3.2Å; S293-L296 PolarHBondContact O-N 2.83Å; S293-A297 WeakPolarHBondContact O-CB 3.27Å; S293-A297 PolarHBondContact O-N 3.48Å
294M96.9Very high98.1Very high45 Ų4529.7 Ų29.722%0.22216%0.155CC..Hα-helixtrans-65.7-39.4175.1-170.165.7-165.100112.6R22 I292 E298 P317 L318R22-M294 HydrophobicContact CG-SD 4.45Å; R22-M294 PolarHBondContact NH1-SD 3.04Å; I292-M294 PolarHBondContact O-N 2.78Å; M294-E298 VanDerWaalsContact O-CB 3.29Å; M294-E298 WeakPolarHBondContact O-CB 3.26Å; M294-E298 PolarHBondContact O-N 3.36Å; M294-P317 HydrophobicContact CB-CG 4.47Å; M294-P317 HydrophobicContact CE-CB 4.14Å; M294-P317 HydrophobicContact CG-CB 4.15Å; M294-P317 HydrophobicContact CG-CG 3.78Å; M294-L318 WeakPolarHBondContact CE-O 3.05Å
295I97.9Very high98.1Very high7 Ų732.7 Ų32.74%0.03617%0.17CC..Hα-helixtrans-67.1-44.7178.4-63167.1000109.7M127 L145 A150 I292 A299 P317M127-I295 HydrophobicContact CE-CB 4.28Å; M127-I295 HydrophobicContact CE-CG2 3.82Å; L145-I295 HydrophobicContact CD1-CG2 3.94Å; A150-I295 HydrophobicContact CB-CD1 4.16Å; I292-I295 HydrophobicContact CB-CD1 4.44Å; I292-I295 HydrophobicContact CG2-CD1 4.2Å; I292-I295 WeakPolarHBondContact O-CB 3.46Å; I292-I295 PolarHBondContact O-N 3.08Å; I295-A299 WeakPolarHBondContact O-CB 3.45Å; I295-A299 PolarHBondContact O-N 3.09Å; I295-P317 HydrophobicContact CG1-CG 4.13Å
296L98.3Very high97.9Very high0 Ų030.5 Ų30.50%017%0.167CC..Hα-helixtrans-67.1-43.5177.8-69176.3000112.4L15 I19 V88 P90 I125 M127 L145 I292 S293 A299 I300L15-L296 HydrophobicContact CD1-CD1 4.28Å; L15-L296 HydrophobicContact CD2-CD1 3.98Å; L15-L296 HydrophobicContact CG-CD1 4.4Å; I19-L296 HydrophobicContact CD1-CB 3.78Å; I19-L296 HydrophobicContact CD1-CD1 3.71Å; I19-L296 HydrophobicContact CD1-CG 4.42Å; I19-L296 HydrophobicContact CG1-CB 4.03Å; V88-L296 HydrophobicContact CG1-CD2 4.15Å; P90-L296 HydrophobicContact CB-CD1 4.32Å; P90-L296 HydrophobicContact CG-CD1 3.88Å; I125-L296 HydrophobicContact CG2-CD2 4.3Å; M127-L296 HydrophobicContact CE-CD2 4.44Å; L145-L296 HydrophobicContact CD1-CD2 3.81Å; I292-L296 HydrophobicContact CD1-CD1 3.49Å; I292-L296 VanDerWaalsContact CD1-CD1 3.49Å; I292-L296 HydrophobicContact CD1-CG 4.11Å; I292-L296 PolarHBondContact O-N 3.06Å; I292-L296 VanDerWaalsContact O-N 3.08Å; S293-L296 PolarHBondContact O-N 2.83Å; L296-A299 PolarHBondContact O-N 3.46Å; L296-I300 WeakPolarHBondContact O-CB 3.25Å; L296-I300 VanDerWaalsContact O-CG1 3.27Å; L296-I300 WeakPolarHBondContact O-CG1 3.28Å; L296-I300 PolarHBondContact O-N 2.93Å
297A98.4Very high97.7Very high2 Ų231.6 Ų31.62%0.01717%0.172CC..Hα-helixtrans-59.1-48.1175.700000111.2I19 R22 L23 S293 A299 I300 R301I19-A297 HydrophobicContact CG2-CB 4.32Å; R22-A297 HydrophobicContact CB-CB 3.78Å; L23-A297 HydrophobicContact CD1-CB 4.37Å; L23-A297 HydrophobicContact CD2-CB 4.29Å; L23-A297 HydrophobicContact CG-CB 4Å; S293-A297 WeakPolarHBondContact O-CB 3.27Å; S293-A297 PolarHBondContact O-N 3.48Å; A297-A299 VanDerWaalsContact C-N 3.33Å; A297-A299 PolarHBondContact O-N 3.16Å; A297-I300 PolarHBondContact O-N 3.24Å; A297-R301 WeakPolarHBondContact O-CB 3.49Å; A297-R301 PolarHBondContact O-N 3.08Å
298E98.1Very high97.4Very high26 Ų2634.6 Ų34.612%0.12119%0.194CC..Hα-helixtrans-66.5-34.7179.4-176.459.5-169.700112.3M294 R301 R302 L312 P317M294-E298 VanDerWaalsContact O-CB 3.29Å; M294-E298 WeakPolarHBondContact O-CB 3.26Å; M294-E298 PolarHBondContact O-N 3.36Å; E298-R301 PolarHBondContact O-N 3.33Å; E298-R301 IonicContact OE1-CZ 3.61Å; E298-R301 IonicContact OE1-NE 3.89Å; E298-R301 IonicContact OE1-NH2 3.68Å; E298-R301 PolarHBondContact OE1-NH2 2.95Å; E298-R301 IonicContact OE2-CZ 2.66Å; E298-R301 IonicContact OE2-NE 2.83Å; E298-R301 PolarHBondContact OE2-NE 3Å; E298-R301 IonicContact OE2-NH2 3.23Å; E298-R302 WeakPolarHBondContact O-CB 3.29Å; E298-R302 VanDerWaalsContact O-CG 3.24Å; E298-R302 WeakPolarHBondContact O-CG 3.42Å; E298-R302 PolarHBondContact O-N 2.93Å; E298-R302 IonicContact OE1-CZ 3.47Å; E298-R302 VanDerWaalsContact OE1-CZ 3.23Å; E298-R302 IonicContact OE1-NE 3.42Å; E298-R302 PolarHBondContact OE1-NE 3.3Å; E298-R302 IonicContact OE1-NH2 3.35Å; E298-R302 PolarHBondContact OE1-NH2 3.18Å; E298-L312 HydrophobicContact CB-CD1 4.23Å; E298-L312 HydrophobicContact CB-CD2 4.19Å; E298-L312 HydrophobicContact CG-CD1 4.13Å; E298-L312 HydrophobicContact CG-CD2 3.73Å; E298-L312 HydrophobicContact CG-CG 4.35Å; E298-P317 HydrophobicContact CB-CB 4.26Å; E298-P317 HydrophobicContact CB-CG 4.28Å; E298-P317 HydrophobicContact CG-CB 4.13Å
299A98.2Very high97.2Very high0 Ų031.6 Ų31.60%018%0.181CC..Hα-helixtrans-63.4-48172.800000111.4I125 L145 I295 L296 A297 R301 R302 T303 V309 L312I125-A299 HydrophobicContact CG2-CB 4.38Å; L145-A299 HydrophobicContact CD1-CB 3.63Å; L145-A299 HydrophobicContact CD2-CB 4.07Å; L145-A299 HydrophobicContact CG-CB 4.47Å; I295-A299 WeakPolarHBondContact O-CB 3.45Å; I295-A299 PolarHBondContact O-N 3.09Å; L296-A299 PolarHBondContact O-N 3.46Å; A297-A299 VanDerWaalsContact C-N 3.33Å; A297-A299 PolarHBondContact O-N 3.16Å; A299-R301 PolarHBondContact O-N 3.15Å; A299-R302 PolarHBondContact O-N 3.41Å; A299-T303 WeakPolarHBondContact O-CB 3.4Å; A299-T303 PolarHBondContact O-N 3.45Å; A299-T303 PolarHBondContact O-OG1 3.49Å; A299-V309 HydrophobicContact CB-CG1 4.46Å; A299-L312 HydrophobicContact CB-CD1 3.79Å
300I98.4Very high96.7Very high0 Ų032.1 Ų32.10%019%0.187CC..Hα-helixtrans-57.6-48.2175.8-71.5165.3000110.7I4 I19 L23 Y54 V88 I125 L296 A297 R302 T303 H304I4-I300 HydrophobicContact CD1-CG2 3.58Å; I19-I300 HydrophobicContact CG2-CD1 3.59Å; L23-I300 HydrophobicContact CD1-CB 4.19Å; L23-I300 HydrophobicContact CD1-CG2 3.71Å; Y54-I300 HydrophobicContact CD1-CB 4.28Å; Y54-I300 HydrophobicContact CD1-CD1 4.47Å; Y54-I300 HydrophobicContact CD1-CG1 3.79Å; Y54-I300 HydrophobicContact CD1-CG2 3.83Å; Y54-I300 HydrophobicContact CD2-CG2 4.07Å; Y54-I300 HydrophobicContact CE1-CB 4.19Å; Y54-I300 HydrophobicContact CE1-CG1 4.08Å; Y54-I300 HydrophobicContact CE1-CG2 3.8Å; Y54-I300 HydrophobicContact CE2-CG2 4.06Å; Y54-I300 HydrophobicContact CG-CG1 4.45Å; Y54-I300 HydrophobicContact CG-CG2 3.95Å; Y54-I300 PolarHBondContact OH-O 3.46Å; V88-I300 HydrophobicContact CG2-CD1 4.07Å; V88-I300 HydrophobicContact CG2-CG1 4.16Å; I125-I300 HydrophobicContact CD1-CG1 4.1Å; L296-I300 WeakPolarHBondContact O-CB 3.25Å; L296-I300 VanDerWaalsContact O-CG1 3.27Å; L296-I300 WeakPolarHBondContact O-CG1 3.28Å; L296-I300 PolarHBondContact O-N 2.93Å; A297-I300 PolarHBondContact O-N 3.24Å; I300-R302 PolarHBondContact O-N 3.42Å; I300-T303 PolarHBondContact O-N 3.14Å; I300-H304 WeakPolarHBondContact O-CB 3.16Å; I300-H304 PolarHBondContact O-N 3.43Å
301R98Very high96.2Very high71 Ų7136.3 Ų36.327%0.26820%0.203SC..Hα-helixtrans-57.2-47.4178.6-165.9-167.668.268.55.6111.8L23 A297 E298 A299 H304 N305 E307L23-R301 HydrophobicContact CD2-CB 3.86Å; L23-R301 HydrophobicContact CD2-CG 4.32Å; A297-R301 WeakPolarHBondContact O-CB 3.49Å; A297-R301 PolarHBondContact O-N 3.08Å; E298-R301 PolarHBondContact O-N 3.33Å; E298-R301 IonicContact OE1-CZ 3.61Å; E298-R301 IonicContact OE1-NE 3.89Å; E298-R301 IonicContact OE1-NH2 3.68Å; E298-R301 PolarHBondContact OE1-NH2 2.95Å; E298-R301 IonicContact OE2-CZ 2.66Å; E298-R301 IonicContact OE2-NE 2.83Å; E298-R301 PolarHBondContact OE2-NE 3Å; E298-R301 IonicContact OE2-NH2 3.23Å; A299-R301 PolarHBondContact O-N 3.15Å; R301-H304 PolarHBondContact O-N 3.04Å; R301-N305 PolarHBondContact NH1-ND2 2.88Å; R301-N305 VanDerWaalsContact NH1-ND2 3.12Å; R301-N305 WeakPolarHBondContact O-CB 3.44Å; R301-N305 PolarHBondContact O-N 2.84Å; R301-E307 IonicContact CZ-OE1 2.6Å; R301-E307 IonicContact CZ-OE2 3.18Å; R301-E307 VanDerWaalsContact NH1-CD 3.3Å; R301-E307 IonicContact NH1-OE1 3.48Å; R301-E307 PolarHBondContact NH1-OE1 3.09Å; R301-E307 IonicContact NH1-OE2 3.7Å; R301-E307 PolarHBondContact NH1-OE2 2.77Å; R301-E307 VanDerWaalsContact NH1-OE2 3.12Å; R301-E307 IonicContact NH2-OE1 3.63Å; R301-E307 IonicContact NH2-OE2 3.36Å; R301-E307 PolarHBondContact NH2-OE2 2.98Å
302R97.5Very high95.8Very high36 Ų3633.6 Ų33.614%0.13619%0.188CC..Hα-helixtrans-66-43.4179.7-73174.2178.3-88.1-16.5111.9E298 A299 I300 H304 N305 G306 E307 S308 V309E298-R302 WeakPolarHBondContact O-CB 3.29Å; E298-R302 VanDerWaalsContact O-CG 3.24Å; E298-R302 WeakPolarHBondContact O-CG 3.42Å; E298-R302 PolarHBondContact O-N 2.93Å; E298-R302 IonicContact OE1-CZ 3.47Å; E298-R302 VanDerWaalsContact OE1-CZ 3.23Å; E298-R302 IonicContact OE1-NE 3.42Å; E298-R302 PolarHBondContact OE1-NE 3.3Å; E298-R302 IonicContact OE1-NH2 3.35Å; E298-R302 PolarHBondContact OE1-NH2 3.18Å; A299-R302 PolarHBondContact O-N 3.41Å; I300-R302 PolarHBondContact O-N 3.42Å; R302-H304 VanDerWaalsContact C-N 3.28Å; R302-H304 PolarHBondContact O-N 2.97Å; R302-N305 PolarHBondContact O-N 2.82Å; R302-G306 PolarHBondContact O-N 3.43Å; R302-E307 HydrophobicContact CB-CB 3.97Å; R302-E307 HydrophobicContact CG-CB 3.92Å; R302-E307 PolarHBondContact O-N 3.14Å; R302-S308 WeakPolarHBondContact CD-O 3.41Å; R302-S308 PolarHBondContact NH1-O 2.91Å; R302-V309 HydrophobicContact CB-CG2 3.88Å
303T97.6Very high95.2Very high14 Ų1436.4 Ų36.49%0.08620%0.2CC..Hα-helixtrans-61.9-35.6176.4-65.30000112.4Y54 R84 H123 D143 A299 I300Y54-T303 HydrophobicContact CE1-CG2 4.24Å; R84-T303 PolarHBondContact NH2-O 3.01Å; H123-T303 VanDerWaalsContact ND1-CG2 3.31Å; H123-T303 WeakPolarHBondContact ND1-CG2 3.48Å; D143-T303 PolarHBondContact OD2-OG1 3.45Å; A299-T303 WeakPolarHBondContact O-CB 3.4Å; A299-T303 PolarHBondContact O-N 3.45Å; A299-T303 PolarHBondContact O-OG1 3.49Å; I300-T303 PolarHBondContact O-N 3.14Å
304H97.7Very high94.5Very high37 Ų3739.4 Ų39.417%0.17122%0.221CC..Hα-helixtrans-68.8-46175.1-174.365.8000111.8P2 I4 D52 Y54 I300 R301 R302 G306P2-H304 PolarHBondContact O-CE1 3.43Å; P2-H304 PolarHBondContact O-NE2 2.82Å; I4-H304 HydrophobicContact CD1-CB 4.39Å; D52-H304 IonicContact OD2-CE1 2.75Å; D52-H304 IonicContact OD2-CG 2.88Å; D52-H304 IonicContact OD2-ND1 3.55Å; D52-H304 PolarHBondContact OD2-ND1 3.27Å; Y54-H304 WeakPolarHBondContact OH-CA 3.42Å; Y54-H304 PolarHBondContact OH-N 3.45Å; I300-H304 WeakPolarHBondContact O-CB 3.16Å; I300-H304 PolarHBondContact O-N 3.43Å; R301-H304 PolarHBondContact O-N 3.04Å; R302-H304 VanDerWaalsContact C-N 3.28Å; R302-H304 PolarHBondContact O-N 2.97Å; H304-G306 VanDerWaalsContact C-N 3.34Å; H304-G306 PolarHBondContact O-N 3.42Å
305N96.7Very high93.8Very high64 Ų6441.6 Ų41.634%0.34223%0.231SC..Hα-helixtrans-82.5-6.4-175.5-67.5-16.7000114.5R301 R302 E307R301-N305 PolarHBondContact NH1-ND2 2.88Å; R301-N305 VanDerWaalsContact NH1-ND2 3.12Å; R301-N305 WeakPolarHBondContact O-CB 3.44Å; R301-N305 PolarHBondContact O-N 2.84Å; R302-N305 PolarHBondContact O-N 2.82Å; N305-E307 VanDerWaalsContact C-N 3.3Å; N305-E307 HydrophobicContact CB-CG 3.87Å; N305-E307 VanDerWaalsContact CB-OE1 3.27Å; N305-E307 WeakPolarHBondContact CB-OE1 3.37Å; N305-E307 PolarHBondContact ND2-OE1 3.47Å
306G94.1Very high92.9Very high73 Ų7343.6 Ų43.675%0.75324%0.243SC*.THydrogen-bonded Turntrans71.425.2-173.400000113.5R302 H304R302-G306 PolarHBondContact O-N 3.43Å; H304-G306 VanDerWaalsContact C-N 3.34Å; H304-G306 PolarHBondContact O-N 3.42Å
307E95Very high92Very high72 Ų7244.2 Ų44.234%0.33625%0.247SC..  trans-87.6160.3177.6-64.7170.6-14300111.3R301 R302 N305 V309R301-E307 IonicContact CZ-OE1 2.6Å; R301-E307 IonicContact CZ-OE2 3.18Å; R301-E307 VanDerWaalsContact NH1-CD 3.3Å; R301-E307 IonicContact NH1-OE1 3.48Å; R301-E307 PolarHBondContact NH1-OE1 3.09Å; R301-E307 IonicContact NH1-OE2 3.7Å; R301-E307 PolarHBondContact NH1-OE2 2.77Å; R301-E307 VanDerWaalsContact NH1-OE2 3.12Å; R301-E307 IonicContact NH2-OE1 3.63Å; R301-E307 IonicContact NH2-OE2 3.36Å; R301-E307 PolarHBondContact NH2-OE2 2.98Å; R302-E307 HydrophobicContact CB-CB 3.97Å; R302-E307 HydrophobicContact CG-CB 3.92Å; R302-E307 PolarHBondContact O-N 3.14Å; N305-E307 VanDerWaalsContact C-N 3.3Å; N305-E307 HydrophobicContact CB-CG 3.87Å; N305-E307 VanDerWaalsContact CB-OE1 3.27Å; N305-E307 WeakPolarHBondContact CB-OE1 3.37Å; N305-E307 PolarHBondContact ND2-OE1 3.47Å; E307-V309 PolarHBondContact O-N 2.73Å
308S93Very high90.4Very high71 Ų7154.7 Ų54.750%0.49730%0.302SS..  trans-70.8114.8-178.3-177.20000112.4R302 S310R302-S308 WeakPolarHBondContact CD-O 3.41Å; R302-S308 PolarHBondContact NH1-O 2.91Å; S308-S310 VanDerWaalsContact C-N 3.32Å; S308-S310 PolarHBondContact OG-OG 3.02Å
309V94Very high90Very high13 Ų1356.1 Ų56.18%0.07931%0.311CS..G310 helixtrans-72.6-23.9174.91790000112.2D143 L145 A299 R302 E307 Y311 L312 F313D143-V309 HydrophobicContact CB-CG1 4.42Å; L145-V309 HydrophobicContact CD2-CG1 3.79Å; A299-V309 HydrophobicContact CB-CG1 4.46Å; R302-V309 HydrophobicContact CB-CG2 3.88Å; E307-V309 PolarHBondContact O-N 2.73Å; V309-Y311 PolarHBondContact O-N 3.31Å; V309-L312 HydrophobicContact CG1-CD1 4.4Å; V309-L312 WeakPolarHBondContact O-CB 2.88Å; V309-L312 PolarHBondContact O-N 3.49Å; V309-F313 HydrophobicContact CG1-CE1 4.46Å
310S88.3Confident89.6Confident64 Ų6459.1 Ų59.145%0.44833%0.327SS..G310 helixtrans-62.7-19.1-175.165.30000114.5S308 L312 F313S308-S310 VanDerWaalsContact C-N 3.32Å; S308-S310 PolarHBondContact OG-OG 3.02Å; S310-L312 PolarHBondContact O-N 2.89Å; S310-F313 WeakPolarHBondContact O-CB 3.36Å; S310-F313 PolarHBondContact O-N 3.23Å; S310-F313 VanDerWaalsContact O-N 3.12Å
311Y87.1Confident89.1Confident106 Ų10662.3 Ų62.342%0.41635%0.345SS..G310 helixtrans-51.9-40169.7178-100000112.1V309 F313 S314 H315V309-Y311 PolarHBondContact O-N 3.31Å; Y311-F313 PolarHBondContact O-N 2.66Å; Y311-S314 PolarHBondContact O-N 3.22Å; Y311-H315 HydrophobicContact CD1-CB 4.41Å; Y311-H315 HydrophobicContact CE1-CB 3.87Å; Y311-H315 HydrophobicContact CE2-CB 4.07Å; Y311-H315 AromaticContact CE2-CG 3.88Å; Y311-H315 AromaticContact CZ-CG 3.95Å; Y311-H315 PolarHBondContact O-N 3.31Å
312L89.6Confident88.6Confident4 Ų461.8 Ų61.82%0.02135%0.35CS..G310 helixtrans-69.6-16.5-177.8-64.1178.3000114E298 A299 V309 S310 S314 P317E298-L312 HydrophobicContact CB-CD1 4.23Å; E298-L312 HydrophobicContact CB-CD2 4.19Å; E298-L312 HydrophobicContact CG-CD1 4.13Å; E298-L312 HydrophobicContact CG-CD2 3.73Å; E298-L312 HydrophobicContact CG-CG 4.35Å; A299-L312 HydrophobicContact CB-CD1 3.79Å; V309-L312 HydrophobicContact CG1-CD1 4.4Å; V309-L312 WeakPolarHBondContact O-CB 2.88Å; V309-L312 PolarHBondContact O-N 3.49Å; S310-L312 PolarHBondContact O-N 2.89Å; L312-S314 PolarHBondContact O-N 3.29Å; L312-P317 HydrophobicContact CD2-CB 4.13Å; L312-P317 HydrophobicContact CD2-CG 3.83Å
313F86.3Confident88Confident60 Ų6063.4 Ų63.426%0.26336%0.363SS..G310 helixtrans-74.1-15.4-179-58.3-18.9000113.1N144 L145 Y146 V309 S310 Y311N144-F313 WeakPolarHBondContact O-CE1 3.41Å; L145-F313 HydrophobicContact CD2-CE1 3.91Å; Y146-F313 HydrophobicContact CD2-CB 4.01Å; Y146-F313 AromaticContact CD2-CD1 3.74Å; Y146-F313 HydrophobicContact CD2-CD1 3.74Å; Y146-F313 HydrophobicContact CD2-CE1 4.39Å; Y146-F313 AromaticContact CD2-CG 3.92Å; Y146-F313 HydrophobicContact CD2-CG 3.92Å; Y146-F313 HydrophobicContact CE2-CB 4.37Å; Y146-F313 HydrophobicContact CE2-CD1 4.03Å; Y146-F313 HydrophobicContact CE2-CD2 4.36Å; Y146-F313 HydrophobicContact CE2-CE1 4.4Å; Y146-F313 HydrophobicContact CE2-CG 4.02Å; V309-F313 HydrophobicContact CG1-CE1 4.46Å; S310-F313 WeakPolarHBondContact O-CB 3.36Å; S310-F313 PolarHBondContact O-N 3.23Å; S310-F313 VanDerWaalsContact O-N 3.12Å; Y311-F313 PolarHBondContact O-N 2.66Å
314S82.4Confident87.4Confident62 Ų6266.7 Ų66.743%0.43438%0.381SS..THydrogen-bonded Turntrans-128.4-16.9-177.949.60000114Y311 L312Y311-S314 PolarHBondContact O-N 3.22Å; L312-S314 PolarHBondContact O-N 3.29Å
315H83.1Confident86.7Confident92 Ų9268.9 Ų68.943%0.42640%0.397SS..  trans-126.4132.3-175.6-60.977.6000110.8Y311Y311-H315 HydrophobicContact CD1-CB 4.41Å; Y311-H315 HydrophobicContact CE1-CB 3.87Å; Y311-H315 HydrophobicContact CE2-CB 4.07Å; Y311-H315 AromaticContact CE2-CG 3.88Å; Y311-H315 AromaticContact CZ-CG 3.95Å; Y311-H315 PolarHBondContact O-N 3.31Å
316V79Confident85.9Confident48 Ų4869.2 Ų69.229%0.29140%0.401SS..  trans-75.3123.5167.9-174.70000107.4P149 A150P149-V316 HydrophobicContact CB-CG2 3.51Å; P149-V316 VanDerWaalsContact O-CG2 3.27Å; P149-V316 WeakPolarHBondContact O-CG2 3.37Å; A150-V316 HydrophobicContact CB-CG2 4.35Å
317P79.4Confident85.2Confident13 Ų1368.9 Ų68.98%0.08437%0.371CS..  trans-62143.8174.425.7-31.9000110.4M294 I295 E298 L312M294-P317 HydrophobicContact CB-CG 4.47Å; M294-P317 HydrophobicContact CE-CB 4.14Å; M294-P317 HydrophobicContact CG-CB 4.15Å; M294-P317 HydrophobicContact CG-CG 3.78Å; I295-P317 HydrophobicContact CG1-CG 4.13Å; E298-P317 HydrophobicContact CB-CB 4.26Å; E298-P317 HydrophobicContact CB-CG 4.28Å; E298-P317 HydrophobicContact CG-CB 4.13Å; L312-P317 HydrophobicContact CD2-CB 4.13Å; L312-P317 HydrophobicContact CD2-CG 3.83Å
318L65.1Low84.3Confident222 Ų22268.6 Ų68.6100%1.16238%0.375SS*.  trans-73.10179.2-72.4171.1000111.6M294M294-L318 WeakPolarHBondContact CE-O 3.05Å

Retrieved 318 of 318 residues in 99.3 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).