A0A096M3D6_POEFO Loading...

Epithelial splicing regulatory protein 2

mRNA splicing factor that regulates the formation of epithelial cell-specific isoforms. Specifically regulates the expression of FGFR2-IIIb, an epithelial cell-specific isoform of fgfr2. Acts by directly binding specific sequences in mRNAs. Binds the GU-rich sequence motifs in the ISE/ISS-3, a cis-element regulatory region present in the mRNA of fgfr2.

AlphaFold DB , UniProt , Accession A0A096M3D6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 717 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26.1Very low70.4Confident246 Ų24657.6 Ų57.6100%1.21233%0.331SS*.  0128.70-68.5169.2172.600106.9
2A32.3Very low72.5Confident86 Ų8655 Ų5571%0.71131%0.313SS*.PPolyproline II helixtrans-74131.5168.900000108.1
3S42Very low74.2Confident104 Ų10451.1 Ų51.173%0.72729%0.292SS*.PPolyproline II helixtrans-74.3129.1170.3-1760000108S5S3-S5 PolarHBondContact O-N 2.72Å
4H57.7Low75.7Confident127 Ų12747.5 Ų47.559%0.58827%0.272SS*.PPolyproline II helixtrans-68.6123172.2-63.8-74.8000108.7S103 Y200H4-S103 PolarHBondContact O-OG 3.49Å; H4-Y200 AromaticContact CE1-CD1 3.88Å; H4-Y200 AromaticContact CE1-CE1 3.76Å; H4-Y200 AromaticContact ND1-CD1 3.91Å; H4-Y200 AromaticContact ND1-CE1 3.89Å
5S64.9Low77Confident17 Ų1744.4 Ų44.412%0.11925%0.254CS..  trans-85.4110.116955.90000109.3S3 T7 L40 T105S3-S5 PolarHBondContact O-N 2.72Å; S5-T7 PolarHBondContact O-N 3.01Å; S5-L40 WeakPolarHBondContact O-CD1 3.29Å; S5-T105 WeakPolarHBondContact CB-OG1 3.33Å; S5-T105 PolarHBondContact OG-OG1 2.69Å
6D78.5Confident78Confident52 Ų5241.7 Ų41.728%0.27824%0.239SC..SBendtrans-66.4-0.9176-70.4-27.7000113.5L40 H41D6-L40 PolarHBondContact O-N 2.93Å; D6-L40 VanDerWaalsContact O-N 3.1Å; D6-H41 IonicContact OD1-CD2 3.25Å; D6-H41 IonicContact OD1-CE1 3.56Å; D6-H41 IonicContact OD1-NE2 3.97Å; D6-H41 PolarHBondContact OD1-NE2 2.79Å; D6-H41 IonicContact OD2-NE2 3.24Å
7T90.3Very high78.8Confident0 Ų039.2 Ų39.20%023%0.225CC..EExtended strand (participates in β ladder)trans-147.9136.4-171.4-58.90000109.9S5 I37 V38 V96 R101 Y104 T105S5-T7 PolarHBondContact O-N 3.01Å; T7-I37 HydrophobicContact CG2-CG2 3.28Å; T7-V38 WeakPolarHBondContact CA-O 3.15Å; T7-V96 HydrophobicContact CG2-CG2 4.29Å; T7-R101 WeakPolarHBondContact OG1-CG 3.47Å; T7-Y104 VanDerWaalsContact O-CA 3.3Å; T7-Y104 WeakPolarHBondContact O-CA 3.49Å; T7-T105 PolarHBondContact O-N 3.17Å
8L93.6Very high79.5Confident0 Ų037.7 Ų37.70%022%0.218CC..EExtended strand (participates in β ladder)trans-107.8151.7169.5-64.2-178.2000110.6I37 V38 L40 T105 L107 T187 F199L8-I37 WeakPolarHBondContact O-CA 3.45Å; L8-V38 PolarHBondContact N-O 3.34Å; L8-V38 PolarHBondContact O-N 2.98Å; L8-L40 HydrophobicContact CD1-CD2 4.03Å; L8-L40 HydrophobicContact CG-CD1 4.2Å; L8-L40 HydrophobicContact CG-CD2 4.01Å; L8-L40 HydrophobicContact CG-CG 4.37Å; L8-T105 WeakPolarHBondContact CA-O 3.38Å; L8-L107 HydrophobicContact CB-CB 4.42Å; L8-L107 HydrophobicContact CD1-CB 4.34Å; L8-L107 HydrophobicContact CD1-CD1 4.48Å; L8-L107 HydrophobicContact CD1-CD2 3.96Å; L8-T187 HydrophobicContact CD1-CG2 4.38Å; L8-F199 HydrophobicContact CD1-CB 4.33Å; L8-F199 HydrophobicContact CD1-CD1 4.24Å; L8-F199 HydrophobicContact CD1-CD2 3.51Å; L8-F199 HydrophobicContact CD1-CE1 4.44Å; L8-F199 HydrophobicContact CD1-CE2 3.74Å; L8-F199 HydrophobicContact CD1-CG 3.76Å; L8-F199 HydrophobicContact CD1-CZ 4.21Å
9V95.5Very high80.1Confident0 Ų036.7 Ų36.70%021%0.211CC..EExtended strand (participates in β ladder)trans-115.8102.8168.1-179.50000106.9F11 W35 Q36 I37 V92 Y104 T105 L106 L107V9-F11 PolarHBondContact O-N 3.23Å; V9-W35 HydrophobicContact CG1-CB 4.06Å; V9-Q36 CarbonylContact C-O 3.57Å; V9-Q36 WeakPolarHBondContact CA-O 3.49Å; V9-I37 HydrophobicContact CG2-CD1 4.44Å; V9-I37 HydrophobicContact CG2-CG1 4.28Å; V9-V92 HydrophobicContact CG1-CG2 4.14Å; V9-V92 HydrophobicContact CG2-CG1 3.7Å; V9-V92 HydrophobicContact CG2-CG2 4.27Å; V9-Y104 HydrophobicContact CB-CD2 4.41Å; V9-Y104 HydrophobicContact CG2-CD2 3.57Å; V9-Y104 HydrophobicContact CG2-CE2 4.26Å; V9-Y104 HydrophobicContact CG2-CG 4.06Å; V9-T105 PolarHBondContact N-O 2.74Å; V9-L106 HydrophobicContact CB-CD2 4.06Å; V9-L106 HydrophobicContact CG1-CD2 4.22Å; V9-L106 CarbonylContact O-C 3.55Å; V9-L106 WeakPolarHBondContact O-CA 3.2Å; V9-L107 PolarHBondContact O-N 2.94Å
10V96.5Very high80.5Confident0 Ų037.2 Ų37.20%023%0.225CC..EExtended strand (participates in β ladder)trans-57.2126.1167162.20000107.3W35 Q36 V38 L107 A180 M183 V184V10-W35 CarbonylContact O-C 3.59Å; V10-W35 WeakPolarHBondContact O-CA 3.4Å; V10-W35 WeakPolarHBondContact O-CB 3.49Å; V10-Q36 PolarHBondContact N-O 3.37Å; V10-Q36 PolarHBondContact O-N 3.34Å; V10-V38 HydrophobicContact CG2-CG2 4.35Å; V10-L107 HydrophobicContact CG2-CD2 4.04Å; V10-A180 HydrophobicContact CG1-CB 4.24Å; V10-M183 HydrophobicContact CG1-CB 3.81Å; V10-M183 HydrophobicContact CG1-CE 3.94Å; V10-M183 HydrophobicContact CG1-SD 4.07Å; V10-M183 HydrophobicContact CG2-CB 4.27Å; V10-V184 HydrophobicContact CB-CG2 4.07Å; V10-V184 HydrophobicContact CG1-CG2 4.22Å; V10-V184 HydrophobicContact CG2-CG2 3.75Å
11F96.7Very high80.8Confident2 Ų238 Ų381%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-133.2119.3-175.1-175.2-101.1000110.2V9 L33 W35 I88 L107 V108 V113 I114 F133V9-F11 PolarHBondContact O-N 3.23Å; F11-L33 HydrophobicContact CE1-CD2 4.31Å; F11-L33 HydrophobicContact CE2-CD2 4.22Å; F11-L33 HydrophobicContact CZ-CD1 4.32Å; F11-L33 HydrophobicContact CZ-CD2 3.63Å; F11-L33 HydrophobicContact CZ-CG 4.48Å; F11-W35 HydrophobicContact CD2-CB 4.19Å; F11-I88 HydrophobicContact CE2-CD1 4.26Å; F11-L107 PolarHBondContact N-O 3.16Å; F11-V108 HydrophobicContact CB-CG1 4.17Å; F11-V108 HydrophobicContact CD1-CG1 4.08Å; F11-V113 HydrophobicContact CD1-CG1 4.27Å; F11-V113 HydrophobicContact CD1-CG2 4.47Å; F11-V113 HydrophobicContact CE1-CG1 4.47Å; F11-V113 HydrophobicContact CE1-CG2 3.99Å; F11-I114 HydrophobicContact CD1-CD1 4.04Å; F11-I114 HydrophobicContact CE1-CD1 3.96Å; F11-F133 HydrophobicContact CE1-CE1 4.32Å; F11-F133 HydrophobicContact CE2-CE1 4.02Å; F11-F133 AromaticContact CZ-CE1 3.84Å; F11-F133 HydrophobicContact CZ-CE1 3.84Å
12F96Very high83.9Confident26 Ų2632.7 Ų32.711%0.11421%0.211CC..EExtended strand (participates in β ladder)trans-119.2146.8175.2173.9-84.1000109.5A14 L32 V34 E179F12-A14 HydrophobicContact CE1-CB 4.01Å; F12-A14 HydrophobicContact CZ-CB 4.23Å; F12-L32 HydrophobicContact CE1-CD2 4.38Å; F12-V34 HydrophobicContact CB-CB 4.33Å; F12-V34 HydrophobicContact CD1-CB 4.32Å; F12-V34 HydrophobicContact CD1-CG2 4.34Å; F12-V34 PolarHBondContact N-O 3.49Å; F12-V34 PolarHBondContact O-N 3.43Å; F12-E179 HydrophobicContact CD2-CB 3.53Å; F12-E179 HydrophobicContact CD2-CG 4.06Å; F12-E179 HydrophobicContact CE2-CB 3.67Å; F12-E179 HydrophobicContact CE2-CG 3.67Å; F12-E179 HydrophobicContact CG-CB 4.28Å; F12-E179 HydrophobicContact CZ-CG 4.45Å
13G95Very high86.8Confident4 Ų429.1 Ų29.14%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-149.4152.417100000112L23 L32G13-L23 VanDerWaalsContact O-CD1 3.28Å; G13-L23 WeakPolarHBondContact O-CD1 3.25Å; G13-L32 CarbonylContact C-O 3.55Å; G13-L32 WeakPolarHBondContact CA-O 3.33Å
14A94.6Very high89.1Confident1 Ų124.3 Ų24.31%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-132153.1175.900000110.9F12 N19 I31 L32 T68F12-A14 HydrophobicContact CE1-CB 4.01Å; F12-A14 HydrophobicContact CZ-CB 4.23Å; A14-N19 WeakPolarHBondContact CA-OD1 3.43Å; A14-N19 WeakPolarHBondContact CB-OD1 3.26Å; A14-I31 PolarHBondContact O-N 3.4Å; A14-L32 HydrophobicContact CB-CB 4.35Å; A14-L32 HydrophobicContact CB-CD2 4.49Å; A14-L32 PolarHBondContact N-O 2.9Å; A14-L32 PolarHBondContact O-N 3.36Å; A14-T68 HydrophobicContact CB-CG2 4.18Å
15T94.8Very high90.8Very high1 Ų119.7 Ų19.71%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-109.4166.3-179.970.30000111.5G17 A18 N19 L23 E29 I30 C64 A117T15-G17 PolarHBondContact O-N 2.68Å; T15-G17 VanDerWaalsContact O-N 3.13Å; T15-G17 PolarHBondContact OG1-N 3.29Å; T15-A18 PolarHBondContact OG1-O 3.27Å; T15-N19 PolarHBondContact N-OD1 3.05Å; T15-L23 HydrophobicContact CG2-CD2 4.3Å; T15-L23 HydrophobicContact CG2-CG 4.17Å; T15-E29 CarbonylContact C-O 3.59Å; T15-E29 WeakPolarHBondContact CA-O 3.49Å; T15-E29 WeakPolarHBondContact CB-O 3.42Å; T15-I30 HydrophobicContact CG2-CG1 4.34Å; T15-C64 PolarHBondContact O-SG 3.27Å; T15-A117 HydrophobicContact CG2-CB 4.06Å
16A93.3Very high92.1Very high1 Ų121.7 Ų21.71%0.00814%0.138CC..SBendtrans-62.8-8.8169.400000114.1R28 E29 I31 L60 T61 C64A16-R28 HydrophobicContact CB-CB 4.41Å; A16-E29 PolarHBondContact N-O 2.83Å; A16-I31 HydrophobicContact CB-CG2 3.84Å; A16-L60 HydrophobicContact CB-CD2 3.85Å; A16-T61 PolarHBondContact O-N 3.02Å; A16-T61 PolarHBondContact O-OG1 2.87Å; A16-T61 VanDerWaalsContact O-OG1 3.14Å; A16-C64 WeakPolarHBondContact O-CB 3.3Å
17G92.2Very high92.8Very high0 Ų021.7 Ų21.70%014%0.136CC..SBendtrans-115.7-139-172.200000113.2T15 N19 D26T15-G17 PolarHBondContact O-N 2.68Å; T15-G17 VanDerWaalsContact O-N 3.13Å; T15-G17 PolarHBondContact OG1-N 3.29Å; G17-N19 PolarHBondContact O-ND2 3.43Å; G17-D26 WeakPolarHBondContact CA-OD2 3.16Å
18A91.9Very high92.9Very high12 Ų1225.1 Ų25.110%0.09915%0.149CC..  trans-67.5137.1173.200000111.8T15 K22 L23 D26T15-A18 PolarHBondContact OG1-O 3.27Å; A18-K22 HydrophobicContact CB-CB 3.89Å; A18-L23 WeakPolarHBondContact O-CA 3.37Å; A18-D26 PolarHBondContact N-OD2 2.69Å
19N90.9Very high93Very high18 Ų1825.7 Ų25.710%0.09615%0.152CC..  trans-114.7-171.4176.8-62.8-70.2000112.8A14 T15 G17 G21 K22 E67A14-N19 WeakPolarHBondContact CA-OD1 3.43Å; A14-N19 WeakPolarHBondContact CB-OD1 3.26Å; T15-N19 PolarHBondContact N-OD1 3.05Å; G17-N19 PolarHBondContact O-ND2 3.43Å; N19-G21 PolarHBondContact O-N 3.28Å; N19-K22 PolarHBondContact O-N 3.05Å; N19-K22 VanDerWaalsContact O-N 3.1Å; N19-E67 WeakPolarHBondContact CB-OE2 3.24Å; N19-E67 PolarHBondContact ND2-OE2 3.47Å
20G87.3Confident93Very high46 Ų4625.8 Ų25.847%0.47415%0.153SC..G310 helixtrans57.6-125.5175.100000113.1K22 L23G20-K22 PolarHBondContact O-N 2.99Å; G20-K22 VanDerWaalsContact O-N 3.11Å; G20-L23 WeakPolarHBondContact O-CB 3.24Å; G20-L23 PolarHBondContact O-N 3.39Å
21G87Confident92.9Very high55 Ų5525.8 Ų25.857%0.56715%0.153SC*.G310 helixtrans-76.719.3178.500000115.4N19N19-G21 PolarHBondContact O-N 3.28Å
22K90.6Very high92.8Very high135 Ų13526 Ų2659%0.58715%0.154SC*.G310 helixtrans-13813.3170.7-77.5-166.9177-175.30112.3A18 N19 G20 G24 S25A18-K22 HydrophobicContact CB-CB 3.89Å; N19-K22 PolarHBondContact O-N 3.05Å; N19-K22 VanDerWaalsContact O-N 3.1Å; G20-K22 PolarHBondContact O-N 2.99Å; G20-K22 VanDerWaalsContact O-N 3.11Å; K22-G24 PolarHBondContact O-N 3.02Å; K22-S25 VanDerWaalsContact O-CB 3.29Å; K22-S25 WeakPolarHBondContact O-CB 3.42Å; K22-S25 PolarHBondContact O-N 2.65Å; K22-S25 PolarHBondContact O-OG 3.05Å
23L93.2Very high92.8Very high11 Ų1124.8 Ų24.86%0.05815%0.148CC..THydrogen-bonded Turntrans-62.3122.1-167.9-173.7148000112.1G13 T15 A18 G20 S25 H112 V113 Q116 A117G13-L23 VanDerWaalsContact O-CD1 3.28Å; G13-L23 WeakPolarHBondContact O-CD1 3.25Å; T15-L23 HydrophobicContact CG2-CD2 4.3Å; T15-L23 HydrophobicContact CG2-CG 4.17Å; A18-L23 WeakPolarHBondContact O-CA 3.37Å; G20-L23 WeakPolarHBondContact O-CB 3.24Å; G20-L23 PolarHBondContact O-N 3.39Å; L23-S25 VanDerWaalsContact C-N 3.35Å; L23-H112 HydrophobicContact CB-CB 4.01Å; L23-H112 HydrophobicContact CD2-CB 4.27Å; L23-V113 HydrophobicContact CD2-CB 4.35Å; L23-Q116 WeakPolarHBondContact O-CB 3.28Å; L23-A117 HydrophobicContact CD2-CB 3.54Å
24G90.5Very high92.8Very high3 Ų324.7 Ų24.73%0.03115%0.147CC..THydrogen-bonded Turntrans81.20.6-176.400000115.7K22 D26 E27 H287K22-G24 PolarHBondContact O-N 3.02Å; G24-D26 PolarHBondContact O-N 3.42Å; G24-E27 PolarHBondContact O-N 3.2Å; G24-H287 PolarHBondContact O-CE1 3.38Å
25S93.5Very high92.9Very high30 Ų3025 Ų2521%0.2115%0.148CC..THydrogen-bonded Turntrans-70.3-9.4-179.763.10000114.6K22 L23 H287K22-S25 VanDerWaalsContact O-CB 3.29Å; K22-S25 WeakPolarHBondContact O-CB 3.42Å; K22-S25 PolarHBondContact O-N 2.65Å; K22-S25 PolarHBondContact O-OG 3.05Å; L23-S25 VanDerWaalsContact C-N 3.35Å; S25-H287 VanDerWaalsContact C-NE2 3.32Å; S25-H287 PolarHBondContact O-NE2 2.83Å
26D93.1Very high93Very high58 Ų5826 Ų2631%0.3115%0.153SC..THydrogen-bonded Turntrans-114.316.4-17862.6-13.7000114.1G17 A18 G24 R28G17-D26 WeakPolarHBondContact CA-OD2 3.16Å; A18-D26 PolarHBondContact N-OD2 2.69Å; G24-D26 PolarHBondContact O-N 3.42Å; D26-R28 HydrophobicContact CB-CG 4.47Å; D26-R28 PolarHBondContact O-N 2.7Å; D26-R28 VanDerWaalsContact O-N 3.13Å; D26-R28 WeakPolarHBondContact OD2-CG 3.35Å
27E91.9Very high93Very high53 Ų5326.1 Ų26.125%0.24815%0.153CC..  trans62.113.9178.6-141.3-165.7125.500114.8G24 K124 H287 H288G24-E27 PolarHBondContact O-N 3.2Å; E27-K124 IonicContact OE1-NZ 3.13Å; E27-K124 PolarHBondContact OE1-NZ 3.03Å; E27-H287 HydrophobicContact CG-CB 4.49Å; E27-H287 WeakPolarHBondContact OE2-CA 3.22Å; E27-H288 IonicContact OE2-CG 3.94Å; E27-H288 PolarHBondContact OE2-N 3.27Å; E27-H288 IonicContact OE2-ND1 3.58Å; E27-H288 PolarHBondContact OE2-ND1 2.99Å
28R93.6Very high93.1Very high72 Ų7226.1 Ų26.127%0.27215%0.153SC..PPolyproline II helixtrans-82.6149.5178.6-66.5-64.7-171.6177.22.8113.1A16 D26 E59A16-R28 HydrophobicContact CB-CB 4.41Å; D26-R28 HydrophobicContact CB-CG 4.47Å; D26-R28 PolarHBondContact O-N 2.7Å; D26-R28 VanDerWaalsContact O-N 3.13Å; D26-R28 WeakPolarHBondContact OD2-CG 3.35Å; R28-E59 IonicContact CZ-OE2 2.81Å; R28-E59 IonicContact NH1-OE2 3.28Å; R28-E59 PolarHBondContact NH1-OE2 3.31Å; R28-E59 IonicContact NH2-OE2 2.87Å; R28-E59 PolarHBondContact NH2-OE2 2.88Å
29E94.7Very high93Very high12 Ų1225.6 Ų25.66%0.05615%0.149CC..PPolyproline II helixtrans-84.9153.7-168.9-57.5173.368.500112.6T15 A16 P55 D56 T57 E121 K125T15-E29 CarbonylContact C-O 3.59Å; T15-E29 WeakPolarHBondContact CA-O 3.49Å; T15-E29 WeakPolarHBondContact CB-O 3.42Å; A16-E29 PolarHBondContact N-O 2.83Å; E29-P55 HydrophobicContact CB-CB 3.82Å; E29-P55 HydrophobicContact CG-CB 4.38Å; E29-P55 WeakPolarHBondContact OE1-CA 3.38Å; E29-D56 PolarHBondContact OE1-N 3.46Å; E29-D56 PolarHBondContact OE2-N 2.93Å; E29-T57 VanDerWaalsContact OE2-CB 3.28Å; E29-T57 WeakPolarHBondContact OE2-CB 3.27Å; E29-T57 PolarHBondContact OE2-N 3.31Å; E29-T57 PolarHBondContact OE2-OG1 2.94Å; E29-E121 WeakPolarHBondContact CA-OE2 3.39Å; E29-K125 WeakPolarHBondContact OE1-CE 3.21Å; E29-K125 IonicContact OE1-NZ 3.89Å; E29-K125 PolarHBondContact OE1-NZ 2.77Å
30I95.4Very high92.9Very high2 Ų226.5 Ų26.51%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-65.9134.9174.2-65173.6000109.8T15 L33 V53 A117 L118 E121T15-I30 HydrophobicContact CG2-CG1 4.34Å; I30-L33 HydrophobicContact CG2-CD1 4.41Å; I30-L33 HydrophobicContact CG2-CD2 3.7Å; I30-L33 HydrophobicContact CG2-CG 3.85Å; I30-V53 HydrophobicContact CG2-CB 4.35Å; I30-V53 HydrophobicContact CG2-CG2 4.14Å; I30-V53 WeakPolarHBondContact O-CB 3.45Å; I30-V53 VanDerWaalsContact O-CG1 3.32Å; I30-V53 WeakPolarHBondContact O-CG1 3.34Å; I30-A117 HydrophobicContact CD1-CB 4.02Å; I30-A117 HydrophobicContact CG1-CB 3.93Å; I30-L118 HydrophobicContact CD1-CB 4Å; I30-L118 HydrophobicContact CD1-CD1 3.97Å; I30-E121 WeakPolarHBondContact CG1-OE2 3.26Å; I30-E121 PolarHBondContact N-OE2 2.85Å
31I94.9Very high92.6Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-123.4-16.9178.961.5170.4000114.3A14 A16 F52 V53 P55 L60 C64 L70 I75A14-I31 PolarHBondContact O-N 3.4Å; A16-I31 HydrophobicContact CB-CG2 3.84Å; I31-F52 CarbonylContact O-C 3.53Å; I31-F52 WeakPolarHBondContact O-CA 3.3Å; I31-V53 WeakPolarHBondContact CA-O 3.17Å; I31-V53 PolarHBondContact O-N 3.4Å; I31-P55 HydrophobicContact CG2-CG 4.21Å; I31-L60 HydrophobicContact CD1-CD2 3.69Å; I31-L60 HydrophobicContact CG2-CD2 4.32Å; I31-C64 WeakPolarHBondContact CD1-SG 3.48Å; I31-L70 HydrophobicContact CD1-CD1 4.15Å; I31-I75 HydrophobicContact CB-CD1 4.13Å; I31-I75 HydrophobicContact CD1-CD1 4.01Å; I31-I75 HydrophobicContact CG2-CD1 4.42Å
32L94.2Very high92.5Very high7 Ų732.2 Ų32.24%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-145.7127.3-174170.464.2000108.7F12 G13 A14 V34 K50 F52 L70F12-L32 HydrophobicContact CE1-CD2 4.38Å; G13-L32 CarbonylContact C-O 3.55Å; G13-L32 WeakPolarHBondContact CA-O 3.33Å; A14-L32 HydrophobicContact CB-CB 4.35Å; A14-L32 HydrophobicContact CB-CD2 4.49Å; A14-L32 PolarHBondContact N-O 2.9Å; A14-L32 PolarHBondContact O-N 3.36Å; L32-V34 HydrophobicContact CD1-CG2 3.83Å; L32-V34 HydrophobicContact CG-CG2 4.13Å; L32-K50 HydrophobicContact CD1-CD 4.35Å; L32-K50 HydrophobicContact CD1-CG 3.85Å; L32-F52 HydrophobicContact CD1-CD1 3.97Å; L32-F52 HydrophobicContact CD1-CE1 4.04Å; L32-L70 HydrophobicContact CB-CD1 4.34Å; L32-L70 HydrophobicContact CD2-CD1 4.45Å
33L95.9Very high92.3Very high0 Ų029.7 Ų29.70%014%0.142CC..EExtended strand (participates in β ladder)trans-124132.5170.2-66.1179.5000109.4F11 I30 C51 V53 L81 V84 I88F11-L33 HydrophobicContact CE1-CD2 4.31Å; F11-L33 HydrophobicContact CE2-CD2 4.22Å; F11-L33 HydrophobicContact CZ-CD1 4.32Å; F11-L33 HydrophobicContact CZ-CD2 3.63Å; F11-L33 HydrophobicContact CZ-CG 4.48Å; I30-L33 HydrophobicContact CG2-CD1 4.41Å; I30-L33 HydrophobicContact CG2-CD2 3.7Å; I30-L33 HydrophobicContact CG2-CG 3.85Å; L33-C51 PolarHBondContact N-O 3.04Å; L33-C51 PolarHBondContact O-N 2.72Å; L33-V53 HydrophobicContact CD1-CG2 4.02Å; L33-V53 HydrophobicContact CG-CG2 4.07Å; L33-L81 HydrophobicContact CD1-CD1 4.2Å; L33-V84 HydrophobicContact CD1-CG1 4.11Å; L33-I88 HydrophobicContact CB-CD1 4.31Å; L33-I88 HydrophobicContact CD1-CD1 3.61Å
34V95.9Very high92.1Very high1 Ų134.6 Ų34.61%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-130.3131.9178.8-177.40000108.3F12 L32 L48 H49 K50 A180F12-V34 HydrophobicContact CB-CB 4.33Å; F12-V34 HydrophobicContact CD1-CB 4.32Å; F12-V34 HydrophobicContact CD1-CG2 4.34Å; F12-V34 PolarHBondContact N-O 3.49Å; F12-V34 PolarHBondContact O-N 3.43Å; L32-V34 HydrophobicContact CD1-CG2 3.83Å; L32-V34 HydrophobicContact CG-CG2 4.13Å; V34-L48 HydrophobicContact CG1-CD1 3.71Å; V34-H49 CarbonylContact C-O 3.56Å; V34-H49 VanDerWaalsContact CA-O 3.32Å; V34-H49 WeakPolarHBondContact CA-O 3.49Å; V34-H49 WeakPolarHBondContact CG1-O 3.47Å; V34-K50 HydrophobicContact CG2-CB 4.34Å; V34-K50 HydrophobicContact CG2-CG 4.21Å; V34-A180 HydrophobicContact CG1-CB 3.69Å
35W96.4Very high92.1Very high8 Ų837.4 Ų37.43%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-144.5150.6-18070.2100000113.2V9 V10 F11 H49 C51 I88V9-W35 HydrophobicContact CG1-CB 4.06Å; V10-W35 CarbonylContact O-C 3.59Å; V10-W35 WeakPolarHBondContact O-CA 3.4Å; V10-W35 WeakPolarHBondContact O-CB 3.49Å; F11-W35 HydrophobicContact CD2-CB 4.19Å; W35-H49 HydrophobicContact CD2-CB 3.54Å; W35-H49 AromaticContact CE2-CG 3.79Å; W35-H49 HydrophobicContact CE3-CB 3.95Å; W35-H49 HydrophobicContact CG-CB 4.09Å; W35-H49 HydrophobicContact CH2-CB 3.91Å; W35-H49 HydrophobicContact CZ2-CB 3.48Å; W35-H49 VanDerWaalsContact CZ2-CB 3.48Å; W35-H49 AromaticContact CZ2-CG 3.86Å; W35-H49 AromaticContact CZ2-ND1 3.93Å; W35-H49 HydrophobicContact CZ3-CB 4.11Å; W35-H49 PolarHBondContact N-O 2.76Å; W35-H49 AromaticContact NE1-CG 3.81Å; W35-H49 PolarHBondContact O-N 3.09Å; W35-C51 HydrophobicContact CH2-CB 4.08Å; W35-C51 HydrophobicContact CZ3-CB 3.85Å; W35-I88 HydrophobicContact CD2-CG1 3.94Å; W35-I88 HydrophobicContact CD2-CG2 4.48Å; W35-I88 HydrophobicContact CE3-CD1 4.26Å; W35-I88 HydrophobicContact CE3-CG1 3.77Å; W35-I88 HydrophobicContact CH2-CD1 4.46Å; W35-I88 HydrophobicContact CH2-CG1 3.49Å; W35-I88 VanDerWaalsContact CH2-CG1 3.49Å; W35-I88 HydrophobicContact CZ2-CB 4.3Å; W35-I88 HydrophobicContact CZ2-CG1 3.65Å; W35-I88 HydrophobicContact CZ3-CD1 4.11Å; W35-I88 HydrophobicContact CZ3-CG1 3.56Å
36Q95.8Very high92Very high23 Ų2337 Ų3711%0.10718%0.179CC..EExtended strand (participates in β ladder)trans-150.9142.9178.1-167.9162.924.600110.8V9 V10 V45 G46 L48 V184V9-Q36 CarbonylContact C-O 3.57Å; V9-Q36 WeakPolarHBondContact CA-O 3.49Å; V10-Q36 PolarHBondContact N-O 3.37Å; V10-Q36 PolarHBondContact O-N 3.34Å; Q36-V45 HydrophobicContact CG-CG1 3.56Å; Q36-G46 PolarHBondContact NE2-O 3.18Å; Q36-L48 HydrophobicContact CB-CD1 4.21Å; Q36-V184 HydrophobicContact CB-CG2 4.36Å; Q36-V184 HydrophobicContact CG-CG2 4.47Å
37I94.8Very high92Very high3 Ų340.6 Ų40.62%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-89.9142.8-177.5-53.6-156000110.7T7 L8 V9 V45 G46 V92 E95 V96 L99T7-I37 HydrophobicContact CG2-CG2 3.28Å; L8-I37 WeakPolarHBondContact O-CA 3.45Å; V9-I37 HydrophobicContact CG2-CD1 4.44Å; V9-I37 HydrophobicContact CG2-CG1 4.28Å; I37-V45 CarbonylContact O-C 3.55Å; I37-V45 WeakPolarHBondContact O-CA 3.38Å; I37-V45 WeakPolarHBondContact O-CG1 3.27Å; I37-G46 PolarHBondContact O-N 2.84Å; I37-V92 HydrophobicContact CD1-CB 4.42Å; I37-V92 HydrophobicContact CD1-CG1 4.1Å; I37-V92 HydrophobicContact CD1-CG2 4.42Å; I37-E95 HydrophobicContact CD1-CB 3.76Å; I37-E95 HydrophobicContact CD1-CG 3.9Å; I37-V96 HydrophobicContact CD1-CG2 3.94Å; I37-L99 HydrophobicContact CG2-CD1 4.03Å
38V93.7Very high92.1Very high0 Ų040.7 Ų40.70%019%0.194CC..EExtended strand (participates in β ladder)trans-128.2116.7171.2-175.40000108.9T7 L8 V10 K44 V184 T187 L188T7-V38 WeakPolarHBondContact CA-O 3.15Å; L8-V38 PolarHBondContact N-O 3.34Å; L8-V38 PolarHBondContact O-N 2.98Å; V10-V38 HydrophobicContact CG2-CG2 4.35Å; V38-K44 WeakPolarHBondContact CA-O 3.39Å; V38-V184 HydrophobicContact CG2-CG1 4.21Å; V38-V184 HydrophobicContact CG2-CG2 4.07Å; V38-T187 HydrophobicContact CG1-CG2 4.48Å; V38-L188 HydrophobicContact CG1-CD2 3.92Å
39D90.6Very high92.1Very high1 Ų139.1 Ų39.11%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-80.3122.2171.6-174.1-62.2000109.3H41 E42 K43 K44 L99 R101D39-H41 VanDerWaalsContact C-N 3.35Å; D39-H41 WeakPolarHBondContact OD1-CA 3.27Å; D39-H41 PolarHBondContact OD1-N 2.66Å; D39-E42 PolarHBondContact OD1-N 2.98Å; D39-K43 WeakPolarHBondContact O-CA 3.31Å; D39-K43 PolarHBondContact O-N 2.91Å; D39-K43 VanDerWaalsContact O-N 3.09Å; D39-K44 PolarHBondContact N-O 3.12Å; D39-L99 HydrophobicContact CB-CD1 4.33Å; D39-R101 IonicContact OD1-CZ 3.77Å; D39-R101 IonicContact OD1-NE 2.79Å; D39-R101 IonicContact OD1-NH2 2.75Å; D39-R101 PolarHBondContact OD1-NH2 2.86Å; D39-R101 VanDerWaalsContact OD1-NH2 3.12Å; D39-R101 IonicContact OD2-CZ 2.78Å; D39-R101 VanDerWaalsContact OD2-CZ 3.25Å; D39-R101 IonicContact OD2-NE 2.7Å; D39-R101 PolarHBondContact OD2-NE 3.35Å; D39-R101 IonicContact OD2-NH2 2.97Å; D39-R101 PolarHBondContact OD2-NH2 3.17Å
40L86.8Confident92.1Very high36 Ų3642.2 Ų42.219%0.18820%0.203CC..THydrogen-bonded Turntrans-77.8-18.6-173.3-60.9-174.9000113.8S5 D6 L8 L191 F199S5-L40 WeakPolarHBondContact O-CD1 3.29Å; D6-L40 PolarHBondContact O-N 2.93Å; D6-L40 VanDerWaalsContact O-N 3.1Å; L8-L40 HydrophobicContact CD1-CD2 4.03Å; L8-L40 HydrophobicContact CG-CD1 4.2Å; L8-L40 HydrophobicContact CG-CD2 4.01Å; L8-L40 HydrophobicContact CG-CG 4.37Å; L40-L191 HydrophobicContact CD2-CD1 3.61Å; L40-L191 HydrophobicContact CD2-CD2 4.06Å; L40-L191 HydrophobicContact CD2-CG 4.47Å; L40-F199 HydrophobicContact CD1-CD2 4.35Å; L40-F199 HydrophobicContact CD2-CD2 4.16Å; L40-F199 HydrophobicContact CD2-CE2 4.3Å
41H82.6Confident92Very high120 Ų12043.1 Ų43.156%0.55621%0.209SC*.THydrogen-bonded Turntrans-92.9-44.2-179.5-67.3-103.1000111.4D6 D39D6-H41 IonicContact OD1-CD2 3.25Å; D6-H41 IonicContact OD1-CE1 3.56Å; D6-H41 IonicContact OD1-NE2 3.97Å; D6-H41 PolarHBondContact OD1-NE2 2.79Å; D6-H41 IonicContact OD2-NE2 3.24Å; D39-H41 VanDerWaalsContact C-N 3.35Å; D39-H41 WeakPolarHBondContact OD1-CA 3.27Å; D39-H41 PolarHBondContact OD1-N 2.66Å
42E85.1Confident92Very high101 Ų10145.1 Ų45.147%0.47222%0.218SC..THydrogen-bonded Turntrans-86.6-8.4-179.6-58.2-158.1155.300113.2D39 K44D39-E42 PolarHBondContact OD1-N 2.98Å; E42-K44 HydrophobicContact CB-CB 4.34Å; E42-K44 HydrophobicContact CB-CD 4.02Å; E42-K44 HydrophobicContact CB-CG 3.98Å; E42-K44 PolarHBondContact O-N 2.84Å; E42-K44 VanDerWaalsContact OE2-CD 3.3Å; E42-K44 WeakPolarHBondContact OE2-CD 3.32Å; E42-K44 VanDerWaalsContact OE2-CE 3.26Å; E42-K44 WeakPolarHBondContact OE2-CE 3.46Å; E42-K44 IonicContact OE2-NZ 2.65Å; E42-K44 PolarHBondContact OE2-NZ 2.87Å
43K86.3Confident92Very high83 Ų8344.8 Ų44.836%0.36122%0.216SC..  trans52.531.3-173.1-67.5-180169.1175.70112.8D39 L188 L191 D192D39-K43 WeakPolarHBondContact O-CA 3.31Å; D39-K43 PolarHBondContact O-N 2.91Å; D39-K43 VanDerWaalsContact O-N 3.09Å; K43-L188 HydrophobicContact CB-CD2 4.37Å; K43-L191 WeakPolarHBondContact CE-O 3.43Å; K43-L191 PolarHBondContact NZ-O 2.79Å; K43-D192 IonicContact NZ-OD1 3.03Å; K43-D192 PolarHBondContact NZ-OD1 3.07Å
44K87.6Confident91.9Very high114 Ų11448.6 Ų48.650%0.49623%0.233SC..  trans-99.4148.6-179.4-71.6179-164.9160.70111.5V38 D39 E42V38-K44 WeakPolarHBondContact CA-O 3.39Å; D39-K44 PolarHBondContact N-O 3.12Å; E42-K44 HydrophobicContact CB-CB 4.34Å; E42-K44 HydrophobicContact CB-CD 4.02Å; E42-K44 HydrophobicContact CB-CG 3.98Å; E42-K44 PolarHBondContact O-N 2.84Å; E42-K44 VanDerWaalsContact OE2-CD 3.3Å; E42-K44 WeakPolarHBondContact OE2-CD 3.32Å; E42-K44 VanDerWaalsContact OE2-CE 3.26Å; E42-K44 WeakPolarHBondContact OE2-CE 3.46Å; E42-K44 IonicContact OE2-NZ 2.65Å; E42-K44 PolarHBondContact OE2-NZ 2.87Å
45V92.2Very high91.7Very high61 Ų6148.9 Ų48.937%0.3723%0.234SC..BIsolated β-bridgetrans-105.4133.4176.5-166.30000109.4Q36 I37 V184 L188Q36-V45 HydrophobicContact CG-CG1 3.56Å; I37-V45 CarbonylContact O-C 3.55Å; I37-V45 WeakPolarHBondContact O-CA 3.38Å; I37-V45 WeakPolarHBondContact O-CG1 3.27Å; V45-V184 HydrophobicContact CB-CG1 4.41Å; V45-V184 HydrophobicContact CG1-CG1 3.83Å; V45-V184 HydrophobicContact CG1-CG2 4.45Å; V45-V184 HydrophobicContact CG2-CG1 3.6Å; V45-L188 HydrophobicContact CG2-CD1 3.75Å
46G90.3Very high91.4Very high21 Ų2154.3 Ų54.322%0.21626%0.264CS..  trans-77.3-170.5173.900000113Q36 I37Q36-G46 PolarHBondContact NE2-O 3.18Å; I37-G46 PolarHBondContact O-N 2.84Å
47K92.8Very high90.9Very high135 Ų13556 Ų5659%0.58728%0.276SS*.  trans-68.9138.4178.4-176.6178174.2-174.90110H49 E95K47-H49 PolarHBondContact O-CD2 3.12Å; K47-E95 PolarHBondContact N-OE2 3.47Å
48L94.3Very high90.4Very high54 Ų5459.8 Ų59.828%0.28330%0.296SS..  trans-71.6127.7165.8178.573.2000109.7V34 Q36 V177 A180V34-L48 HydrophobicContact CG1-CD1 3.71Å; Q36-L48 HydrophobicContact CB-CD1 4.21Å; L48-V177 HydrophobicContact CD2-CB 4.39Å; L48-V177 HydrophobicContact CD2-CG1 3.47Å; L48-V177 VanDerWaalsContact CD2-CG1 3.47Å; L48-V177 HydrophobicContact CD2-CG2 4.12Å; L48-A180 HydrophobicContact CD1-CB 4.27Å
49H94.9Very high90Very high40 Ų4064.9 Ų64.919%0.18532%0.32CS..EExtended strand (participates in β ladder)trans-115.8139.3173.5-75.3-101.1000110.7V34 W35 K47 S91V34-H49 CarbonylContact C-O 3.56Å; V34-H49 VanDerWaalsContact CA-O 3.32Å; V34-H49 WeakPolarHBondContact CA-O 3.49Å; V34-H49 WeakPolarHBondContact CG1-O 3.47Å; W35-H49 HydrophobicContact CD2-CB 3.54Å; W35-H49 AromaticContact CE2-CG 3.79Å; W35-H49 HydrophobicContact CE3-CB 3.95Å; W35-H49 HydrophobicContact CG-CB 4.09Å; W35-H49 HydrophobicContact CH2-CB 3.91Å; W35-H49 HydrophobicContact CZ2-CB 3.48Å; W35-H49 VanDerWaalsContact CZ2-CB 3.48Å; W35-H49 AromaticContact CZ2-CG 3.86Å; W35-H49 AromaticContact CZ2-ND1 3.93Å; W35-H49 HydrophobicContact CZ3-CB 4.11Å; W35-H49 PolarHBondContact N-O 2.76Å; W35-H49 AromaticContact NE1-CG 3.81Å; W35-H49 PolarHBondContact O-N 3.09Å; K47-H49 PolarHBondContact O-CD2 3.12Å; H49-S91 PolarHBondContact CE1-OG 2.76Å; H49-S91 PolarHBondContact NE2-OG 2.97Å
50K93.3Very high89.8Confident76 Ų7665.7 Ų65.733%0.3332%0.324SS..EExtended strand (participates in β ladder)trans-132.3134.3174.4172.6-172173.5-168.20107.3L32 V34 F52 M174L32-K50 HydrophobicContact CD1-CD 4.35Å; L32-K50 HydrophobicContact CD1-CG 3.85Å; V34-K50 HydrophobicContact CG2-CB 4.34Å; V34-K50 HydrophobicContact CG2-CG 4.21Å; K50-F52 VanDerWaalsContact CE-CZ 3.44Å; K50-M174 PolarHBondContact NZ-SD 2.8Å
51C93.8Very high89.9Confident21 Ų2165.9 Ų65.914%0.14233%0.327CS..EExtended strand (participates in β ladder)trans-137.3145.5169.5-163.50000110.1L33 W35 V84L33-C51 PolarHBondContact N-O 3.04Å; L33-C51 PolarHBondContact O-N 2.72Å; W35-C51 HydrophobicContact CH2-CB 4.08Å; W35-C51 HydrophobicContact CZ3-CB 3.85Å; C51-V84 HydrophobicContact CB-CG1 3.84Å
52F94.1Very high90Very high42 Ų4265.2 Ų65.218%0.18433%0.327CS..EExtended strand (participates in β ladder)trans-90.8148.3169.5-63.2-49.9000109.6I31 L32 K50 L70 D74 A78I31-F52 CarbonylContact O-C 3.53Å; I31-F52 WeakPolarHBondContact O-CA 3.3Å; L32-F52 HydrophobicContact CD1-CD1 3.97Å; L32-F52 HydrophobicContact CD1-CE1 4.04Å; K50-F52 VanDerWaalsContact CE-CZ 3.44Å; F52-L70 HydrophobicContact CD1-CD1 4.09Å; F52-L70 HydrophobicContact CE1-CD1 3.65Å; F52-L70 HydrophobicContact CE1-CD2 3.41Å; F52-L70 VanDerWaalsContact CE1-CD2 3.41Å; F52-L70 HydrophobicContact CE1-CG 4.18Å; F52-L70 HydrophobicContact CZ-CD2 3.57Å; F52-D74 VanDerWaalsContact CD2-O 3.27Å; F52-D74 WeakPolarHBondContact CD2-O 3.45Å; F52-D74 HydrophobicContact CE2-CB 4.09Å; F52-D74 HydrophobicContact CZ-CB 4.26Å; F52-A78 HydrophobicContact CB-CB 3.73Å
53V94.6Very high89.9Confident0 Ų065.2 Ų65.20%033%0.327CS..EExtended strand (participates in β ladder)trans-118.3130178.8176.90000108I30 I31 L33 P55 I75 L81 V84I30-V53 HydrophobicContact CG2-CB 4.35Å; I30-V53 HydrophobicContact CG2-CG2 4.14Å; I30-V53 WeakPolarHBondContact O-CB 3.45Å; I30-V53 VanDerWaalsContact O-CG1 3.32Å; I30-V53 WeakPolarHBondContact O-CG1 3.34Å; I31-V53 WeakPolarHBondContact CA-O 3.17Å; I31-V53 PolarHBondContact O-N 3.4Å; L33-V53 HydrophobicContact CD1-CG2 4.02Å; L33-V53 HydrophobicContact CG-CG2 4.07Å; V53-P55 WeakPolarHBondContact O-CD 3.24Å; V53-I75 WeakPolarHBondContact O-CG2 3.17Å; V53-L81 HydrophobicContact CG1-CB 3.77Å; V53-L81 HydrophobicContact CG1-CD1 4.07Å; V53-L81 HydrophobicContact CG1-CG 4.48Å; V53-L81 HydrophobicContact CG2-CD1 4.26Å; V53-V84 HydrophobicContact CG2-CB 4.16Å; V53-V84 HydrophobicContact CG2-CG1 3.96Å; V53-V84 HydrophobicContact CG2-CG2 4.13Å
54K93.9Very high90Very high80 Ų8061.3 Ų61.335%0.34831%0.31SS..EExtended strand (participates in β ladder)trans-79.7119176.6-175.4163.7-179.1163.40110.8V76 A78 E79K54-V76 WeakPolarHBondContact CD-O 3.49Å; K54-V76 VanDerWaalsContact CE-O 3.24Å; K54-V76 WeakPolarHBondContact CE-O 3.27Å; K54-V76 PolarHBondContact NZ-O 3.08Å; K54-A78 HydrophobicContact CB-CB 4.21Å; K54-A78 WeakPolarHBondContact CB-O 3.41Å; K54-A78 WeakPolarHBondContact CD-O 3.49Å; K54-E79 PolarHBondContact N-O 3.16Å
55P92.1Very high89.9Confident7 Ų759.7 Ų59.75%0.04530%0.303CS..  trans-78.515417235.1-35000110.4E29 I31 V53 T57 L58 I75E29-P55 HydrophobicContact CB-CB 3.82Å; E29-P55 HydrophobicContact CG-CB 4.38Å; E29-P55 WeakPolarHBondContact OE1-CA 3.38Å; I31-P55 HydrophobicContact CG2-CG 4.21Å; V53-P55 WeakPolarHBondContact O-CD 3.24Å; P55-T57 WeakPolarHBondContact CG-O 3.14Å; P55-L58 HydrophobicContact CG-CD2 4.21Å; P55-I75 VanDerWaalsContact CD-CG2 3.46Å; P55-I75 HydrophobicContact CG-CG2 4.36Å
56D89.6Confident89.4Confident123 Ų12364.8 Ų64.866%0.65832%0.323SS*.SBendtrans-67.6-33.1170.5-57.9-2.1000109.6E29 K125E29-D56 PolarHBondContact OE1-N 3.46Å; E29-D56 PolarHBondContact OE2-N 2.93Å; D56-K125 VanDerWaalsContact CG-CE 3.4Å; D56-K125 WeakPolarHBondContact OD1-CE 3.46Å; D56-K125 IonicContact OD1-NZ 3.93Å; D56-K125 PolarHBondContact OD1-NZ 2.92Å; D56-K125 VanDerWaalsContact OD1-NZ 3.13Å; D56-K125 VanDerWaalsContact OD2-CE 3.27Å; D56-K125 WeakPolarHBondContact OD2-CE 3.27Å
57T86.4Confident89Confident59 Ų5966.6 Ų66.636%0.36233%0.326SS..SBendtrans-104.3104.9178.2-36.40000110.7E29 P55 E59E29-T57 VanDerWaalsContact OE2-CB 3.28Å; E29-T57 WeakPolarHBondContact OE2-CB 3.27Å; E29-T57 PolarHBondContact OE2-N 3.31Å; E29-T57 PolarHBondContact OE2-OG1 2.94Å; P55-T57 WeakPolarHBondContact CG-O 3.14Å; T57-E59 HydrophobicContact CG2-CB 4.2Å; T57-E59 HydrophobicContact CG2-CG 4.08Å; T57-E59 PolarHBondContact O-N 3.44Å
58L82.8Confident88.5Confident81 Ų8160.5 Ų60.542%0.42430%0.3SS..  trans-76.154.1178.5-67170.2000113P55 L72 V76P55-L58 HydrophobicContact CG-CD2 4.21Å; L58-L72 HydrophobicContact CB-CD2 4.43Å; L58-V76 HydrophobicContact CD1-CG2 4.01Å; L58-V76 HydrophobicContact CD2-CG2 3.88Å
59E85.1Confident87.8Confident108 Ų10861 Ų6151%0.50532%0.318SS..  trans-124.7101.8178.2-73.1-175.5166.100110.7R28 T57R28-E59 IonicContact CZ-OE2 2.81Å; R28-E59 IonicContact NH1-OE2 3.28Å; R28-E59 PolarHBondContact NH1-OE2 3.31Å; R28-E59 IonicContact NH2-OE2 2.87Å; R28-E59 PolarHBondContact NH2-OE2 2.88Å; T57-E59 HydrophobicContact CG2-CB 4.2Å; T57-E59 HydrophobicContact CG2-CG 4.08Å; T57-E59 PolarHBondContact O-N 3.44Å
60L87.8Confident87.2Confident17 Ų1759.5 Ų59.59%0.08931%0.311CS..  trans-86.1130.8168.4-61.4174000110.1A16 I31 K65 L72 I75A16-L60 HydrophobicContact CB-CD2 3.85Å; I31-L60 HydrophobicContact CD1-CD2 3.69Å; I31-L60 HydrophobicContact CG2-CD2 4.32Å; L60-K65 HydrophobicContact CB-CD 4.43Å; L60-K65 HydrophobicContact CB-CG 3.97Å; L60-K65 HydrophobicContact CD1-CG 4.2Å; L60-K65 WeakPolarHBondContact O-CE 3.48Å; L60-K65 PolarHBondContact O-NZ 3.2Å; L60-K65 VanDerWaalsContact O-NZ 3.14Å; L60-L72 HydrophobicContact CD1-CD2 3.92Å; L60-L72 HydrophobicContact CD1-CG 4.12Å; L60-L72 HydrophobicContact CG-CD2 3.78Å; L60-L72 HydrophobicContact CG-CG 4.43Å; L60-I75 HydrophobicContact CD1-CD1 4.05Å; L60-I75 HydrophobicContact CD2-CD1 3.95Å
61T88Confident86.8Confident41 Ų4159.2 Ų59.225%0.25232%0.316SS..  trans-66.7152.5166.261.80000110.7A16 Q63 C64 K65A16-T61 PolarHBondContact O-N 3.02Å; A16-T61 PolarHBondContact O-OG1 2.87Å; A16-T61 VanDerWaalsContact O-OG1 3.14Å; T61-Q63 VanDerWaalsContact C-N 3.31Å; T61-Q63 PolarHBondContact O-N 2.91Å; T61-C64 WeakPolarHBondContact O-CB 3.27Å; T61-C64 PolarHBondContact O-N 3.42Å; T61-C64 VanDerWaalsContact O-N 3.13Å; T61-C64 WeakPolarHBondContact OG1-CB 3.43Å; T61-C64 PolarHBondContact OG1-N 2.85Å; T61-K65 WeakPolarHBondContact O-CG 3.37Å; T61-K65 PolarHBondContact O-N 2.84Å; T61-K65 VanDerWaalsContact O-N 3.11Å
62D85.3Confident86.2Confident105 Ų10561.9 Ų61.956%0.56133%0.328SS*.Hα-helixtrans-66.1-36.1-180-57.5-53.1000111.9C64 K65 E66D62-C64 VanDerWaalsContact C-N 3.33Å; D62-C64 PolarHBondContact O-N 2.89Å; D62-K65 PolarHBondContact O-N 3.01Å; D62-K65 VanDerWaalsContact O-N 3.17Å; D62-K65 IonicContact OD1-NZ 3.71Å; D62-K65 PolarHBondContact OD1-NZ 3.03Å; D62-E66 WeakPolarHBondContact O-CG 3.3Å; D62-E66 PolarHBondContact O-N 3.1Å
63Q83.8Confident85.7Confident102 Ų10267.9 Ų67.948%0.47736%0.357SS..Hα-helixtrans-55.7-45.5169180178.2-8.400111.8T61 K65 E66 E67T61-Q63 VanDerWaalsContact C-N 3.31Å; T61-Q63 PolarHBondContact O-N 2.91Å; Q63-K65 PolarHBondContact O-N 2.85Å; Q63-E66 PolarHBondContact O-N 2.93Å; Q63-E67 HydrophobicContact CG-CG 4.19Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.32Å; Q63-E67 PolarHBondContact NE2-OE1 2.81Å; Q63-E67 WeakPolarHBondContact O-CB 3.41Å; Q63-E67 VanDerWaalsContact O-CG 3.27Å; Q63-E67 WeakPolarHBondContact O-CG 3.4Å; Q63-E67 PolarHBondContact O-N 3.35Å
64C86.6Confident85.1Confident0 Ų071.2 Ų71.20%038%0.375CS..Hα-helixtrans-61.5-41.5176.7173.10000112.2T15 A16 I31 T61 D62 E67 T68T15-C64 PolarHBondContact O-SG 3.27Å; A16-C64 WeakPolarHBondContact O-CB 3.3Å; I31-C64 WeakPolarHBondContact CD1-SG 3.48Å; T61-C64 WeakPolarHBondContact O-CB 3.27Å; T61-C64 PolarHBondContact O-N 3.42Å; T61-C64 VanDerWaalsContact O-N 3.13Å; T61-C64 WeakPolarHBondContact OG1-CB 3.43Å; T61-C64 PolarHBondContact OG1-N 2.85Å; D62-C64 VanDerWaalsContact C-N 3.33Å; D62-C64 PolarHBondContact O-N 2.89Å; C64-E67 PolarHBondContact O-N 2.63Å; C64-T68 VanDerWaalsContact O-CB 3.32Å; C64-T68 WeakPolarHBondContact O-CB 3.18Å; C64-T68 WeakPolarHBondContact O-CG2 3.15Å; C64-T68 PolarHBondContact O-N 2.69Å; C64-T68 PolarHBondContact O-OG1 3.31Å
65K86.1Confident84.8Confident80 Ų8067.5 Ų67.535%0.34836%0.358SS..Hα-helixtrans-62.6-45.5177-61.7164.8-156.31590111.2L60 T61 D62 Q63 G69L60-K65 HydrophobicContact CB-CD 4.43Å; L60-K65 HydrophobicContact CB-CG 3.97Å; L60-K65 HydrophobicContact CD1-CG 4.2Å; L60-K65 WeakPolarHBondContact O-CE 3.48Å; L60-K65 PolarHBondContact O-NZ 3.2Å; L60-K65 VanDerWaalsContact O-NZ 3.14Å; T61-K65 WeakPolarHBondContact O-CG 3.37Å; T61-K65 PolarHBondContact O-N 2.84Å; T61-K65 VanDerWaalsContact O-N 3.11Å; D62-K65 PolarHBondContact O-N 3.01Å; D62-K65 VanDerWaalsContact O-N 3.17Å; D62-K65 IonicContact OD1-NZ 3.71Å; D62-K65 PolarHBondContact OD1-NZ 3.03Å; Q63-K65 PolarHBondContact O-N 2.85Å; K65-G69 VanDerWaalsContact O-CA 3.32Å; K65-G69 WeakPolarHBondContact O-CA 3.41Å; K65-G69 PolarHBondContact O-N 3.43Å
66E82.6Confident84.6Confident169 Ų16969.7 Ų69.779%0.7937%0.372SS*.Hα-helixtrans-65.3-41.6177.7-71.1176.4-171.500112.6D62 Q63D62-E66 WeakPolarHBondContact O-CG 3.3Å; D62-E66 PolarHBondContact O-N 3.1Å; Q63-E66 PolarHBondContact O-N 2.93Å
67E81.4Confident84.5Confident59 Ų5971 Ų7128%0.27638%0.378SS..Hα-helixtrans-72.2-42.9179.8-74.5174.7165.100112.8N19 Q63 C64 I175N19-E67 WeakPolarHBondContact CB-OE2 3.24Å; N19-E67 PolarHBondContact ND2-OE2 3.47Å; Q63-E67 HydrophobicContact CG-CG 4.19Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.32Å; Q63-E67 PolarHBondContact NE2-OE1 2.81Å; Q63-E67 WeakPolarHBondContact O-CB 3.41Å; Q63-E67 VanDerWaalsContact O-CG 3.27Å; Q63-E67 WeakPolarHBondContact O-CG 3.4Å; Q63-E67 PolarHBondContact O-N 3.35Å; C64-E67 PolarHBondContact O-N 2.63Å; E67-I175 HydrophobicContact CB-CD1 4.43Å; E67-I175 VanDerWaalsContact O-CB 3.31Å; E67-I175 WeakPolarHBondContact O-CB 3.22Å; E67-I175 WeakPolarHBondContact O-CG2 3.44Å
68T81Confident84.9Confident7 Ų769 Ų694%0.04337%0.368CS..Hα-helixtrans-94.8-24.4-171.366.60000114.2A14 C64 L70 I175A14-T68 HydrophobicContact CB-CG2 4.18Å; C64-T68 VanDerWaalsContact O-CB 3.32Å; C64-T68 WeakPolarHBondContact O-CB 3.18Å; C64-T68 WeakPolarHBondContact O-CG2 3.15Å; C64-T68 PolarHBondContact O-N 2.69Å; C64-T68 PolarHBondContact O-OG1 3.31Å; T68-L70 PolarHBondContact O-N 2.91Å; T68-L70 PolarHBondContact OG1-N 3.13Å; T68-I175 HydrophobicContact CG2-CG2 4.31Å
69G80.5Confident85.4Confident63 Ų6369.2 Ų69.265%0.64937%0.367SS*.  trans71.614.3-172.400000114.4K65K65-G69 VanDerWaalsContact O-CA 3.32Å; K65-G69 WeakPolarHBondContact O-CA 3.41Å; K65-G69 PolarHBondContact O-N 3.43Å
70L83.1Confident85.9Confident9 Ų966.9 Ų66.95%0.04736%0.361CS..  trans-95140.5-175.1-56.5-180000112.6I31 L32 F52 T68 I75I31-L70 HydrophobicContact CD1-CD1 4.15Å; L32-L70 HydrophobicContact CB-CD1 4.34Å; L32-L70 HydrophobicContact CD2-CD1 4.45Å; F52-L70 HydrophobicContact CD1-CD1 4.09Å; F52-L70 HydrophobicContact CE1-CD1 3.65Å; F52-L70 HydrophobicContact CE1-CD2 3.41Å; F52-L70 VanDerWaalsContact CE1-CD2 3.41Å; F52-L70 HydrophobicContact CE1-CG 4.18Å; F52-L70 HydrophobicContact CZ-CD2 3.57Å; T68-L70 PolarHBondContact O-N 2.91Å; T68-L70 PolarHBondContact OG1-N 3.13Å; L70-I75 HydrophobicContact CB-CD1 4.15Å; L70-I75 HydrophobicContact CD1-CD1 4.28Å
71T83.3Confident86.2Confident70 Ų7066.1 Ų66.143%0.42936%0.358SS..  trans-93172169.673.70000110.8E73 D74 I75T71-E73 VanDerWaalsContact C-N 3.27Å; T71-E73 PolarHBondContact OG1-N 2.86Å; T71-D74 WeakPolarHBondContact CB-OD2 3.3Å; T71-D74 PolarHBondContact N-OD2 3.1Å; T71-D74 PolarHBondContact OG1-N 3.45Å; T71-D74 PolarHBondContact OG1-OD2 3.17Å; T71-I75 WeakPolarHBondContact O-CD1 3.48Å
72L82.9Confident86.6Confident77 Ų7766.8 Ų66.840%0.40336%0.36SS..SBendtrans-68.1-30.3168.9-73.4169.3000111.8L58 L60 D74 I75 V76L58-L72 HydrophobicContact CB-CD2 4.43Å; L60-L72 HydrophobicContact CD1-CD2 3.92Å; L60-L72 HydrophobicContact CD1-CG 4.12Å; L60-L72 HydrophobicContact CG-CD2 3.78Å; L60-L72 HydrophobicContact CG-CG 4.43Å; L72-D74 VanDerWaalsContact C-N 3.33Å; L72-D74 PolarHBondContact O-N 3.2Å; L72-I75 PolarHBondContact O-N 3.28Å; L72-I75 VanDerWaalsContact O-N 3.13Å; L72-V76 VanDerWaalsContact O-CG2 3.27Å; L72-V76 WeakPolarHBondContact O-CG2 3.39Å; L72-V76 PolarHBondContact O-N 2.61Å
73E81.9Confident87Confident169 Ų16965 Ų6579%0.7935%0.347SS*.Hα-helixtrans-65.3-37-178.4-61.1176.4-164.900111.2T71 I75T71-E73 VanDerWaalsContact C-N 3.27Å; T71-E73 PolarHBondContact OG1-N 2.86Å; E73-I75 PolarHBondContact O-N 3.17Å; E73-I75 VanDerWaalsContact O-N 3.17Å
74D82.4Confident87.6Confident70 Ų7060.1 Ų60.137%0.37432%0.324SS..Hα-helixtrans-61.8-20.4174.4-62.2-74.7000114.1F52 T71 L72F52-D74 VanDerWaalsContact CD2-O 3.27Å; F52-D74 WeakPolarHBondContact CD2-O 3.45Å; F52-D74 HydrophobicContact CE2-CB 4.09Å; F52-D74 HydrophobicContact CZ-CB 4.26Å; T71-D74 WeakPolarHBondContact CB-OD2 3.3Å; T71-D74 PolarHBondContact N-OD2 3.1Å; T71-D74 PolarHBondContact OG1-N 3.45Å; T71-D74 PolarHBondContact OG1-OD2 3.17Å; L72-D74 VanDerWaalsContact C-N 3.33Å; L72-D74 PolarHBondContact O-N 3.2Å
75I87.4Confident88Confident1 Ų160.4 Ų60.41%0.00533%0.325CS..Hα-helixtrans-117.7-26.6-166.3-55.1169.9000112I31 V53 P55 L60 L70 T71 L72 E73 D77 A78I31-I75 HydrophobicContact CB-CD1 4.13Å; I31-I75 HydrophobicContact CD1-CD1 4.01Å; I31-I75 HydrophobicContact CG2-CD1 4.42Å; V53-I75 WeakPolarHBondContact O-CG2 3.17Å; P55-I75 VanDerWaalsContact CD-CG2 3.46Å; P55-I75 HydrophobicContact CG-CG2 4.36Å; L60-I75 HydrophobicContact CD1-CD1 4.05Å; L60-I75 HydrophobicContact CD2-CD1 3.95Å; L70-I75 HydrophobicContact CB-CD1 4.15Å; L70-I75 HydrophobicContact CD1-CD1 4.28Å; T71-I75 WeakPolarHBondContact O-CD1 3.48Å; L72-I75 PolarHBondContact O-N 3.28Å; L72-I75 VanDerWaalsContact O-N 3.13Å; E73-I75 PolarHBondContact O-N 3.17Å; E73-I75 VanDerWaalsContact O-N 3.17Å; I75-D77 VanDerWaalsContact C-N 3.27Å; I75-D77 PolarHBondContact O-N 2.89Å; I75-A78 VanDerWaalsContact O-CB 3.27Å; I75-A78 WeakPolarHBondContact O-CB 3.5Å; I75-A78 PolarHBondContact O-N 2.87Å; I75-A78 VanDerWaalsContact O-N 3.12Å
76V89.1Confident88.3Confident54 Ų5460.6 Ų60.633%0.32733%0.328SS..Hα-helixtrans-59.7-36.3178.9161.50000112.2K54 L58 L72K54-V76 WeakPolarHBondContact CD-O 3.49Å; K54-V76 VanDerWaalsContact CE-O 3.24Å; K54-V76 WeakPolarHBondContact CE-O 3.27Å; K54-V76 PolarHBondContact NZ-O 3.08Å; L58-V76 HydrophobicContact CD1-CG2 4.01Å; L58-V76 HydrophobicContact CD2-CG2 3.88Å; L72-V76 VanDerWaalsContact O-CG2 3.27Å; L72-V76 WeakPolarHBondContact O-CG2 3.39Å; L72-V76 PolarHBondContact O-N 2.61Å
77D87.9Confident88.8Confident149 Ų14955.8 Ų55.880%0.79731%0.305SS*.THydrogen-bonded Turntrans-94.67178.8-70-23.8000113.7I75I75-D77 VanDerWaalsContact C-N 3.27Å; I75-D77 PolarHBondContact O-N 2.89Å
78A92.9Very high89.4Confident18 Ų1853.1 Ų53.115%0.14929%0.293CS..SBendtrans-72.5163.6176.900000113F52 K54 I75F52-A78 HydrophobicContact CB-CB 3.73Å; K54-A78 HydrophobicContact CB-CB 4.21Å; K54-A78 WeakPolarHBondContact CB-O 3.41Å; K54-A78 WeakPolarHBondContact CD-O 3.49Å; I75-A78 VanDerWaalsContact O-CB 3.27Å; I75-A78 WeakPolarHBondContact O-CB 3.5Å; I75-A78 PolarHBondContact O-N 2.87Å; I75-A78 VanDerWaalsContact O-N 3.12Å
79E94.8Very high90Very high85 Ų8556.8 Ų56.840%0.39731%0.309SS..EExtended strand (participates in β ladder)trans-81.8151.8175.8-79.9176.596.500112.3K54 K83 V84 Q87K54-E79 PolarHBondContact N-O 3.16Å; E79-K83 HydrophobicContact CB-CB 4.18Å; E79-V84 HydrophobicContact CB-CG2 3.94Å; E79-Q87 VanDerWaalsContact CD-NE2 3.26Å; E79-Q87 PolarHBondContact OE1-NE2 2.95Å; E79-Q87 PolarHBondContact OE2-NE2 3.48Å
80P94.8Very high90.6Very high59 Ų5959.6 Ų59.638%0.38331%0.305SS..EExtended strand (participates in β ladder)trans-68.7156.9175.230.2-35.6000111.9D82 K83 V84P80-D82 WeakPolarHBondContact CB-OD1 3.39Å; P80-D82 VanDerWaalsContact CG-OD1 3.3Å; P80-D82 WeakPolarHBondContact CG-OD1 3.26Å; P80-D82 PolarHBondContact O-N 2.86Å; P80-D82 VanDerWaalsContact O-N 3.1Å; P80-K83 HydrophobicContact CG-CB 4.43Å; P80-K83 HydrophobicContact CG-CG 3.97Å; P80-K83 PolarHBondContact O-N 2.92Å; P80-K83 VanDerWaalsContact O-N 3.08Å; P80-V84 PolarHBondContact O-N 3.17Å; P80-V84 VanDerWaalsContact O-N 3.17Å
81L95.2Very high91.1Very high2 Ų260.7 Ų60.71%0.0131%0.314CS..Hα-helixtrans-54.3-34.6-171.9179.860.7000113.9L33 V53 V84 L85 L118 E121 L127L33-L81 HydrophobicContact CD1-CD1 4.2Å; V53-L81 HydrophobicContact CG1-CB 3.77Å; V53-L81 HydrophobicContact CG1-CD1 4.07Å; V53-L81 HydrophobicContact CG1-CG 4.48Å; V53-L81 HydrophobicContact CG2-CD1 4.26Å; L81-V84 PolarHBondContact O-N 3.43Å; L81-L85 HydrophobicContact CD1-CD1 3.98Å; L81-L85 HydrophobicContact CD1-CD2 4.46Å; L81-L85 HydrophobicContact CD1-CG 3.94Å; L81-L85 HydrophobicContact CD2-CD1 4.47Å; L81-L85 HydrophobicContact CG-CD1 3.8Å; L81-L85 HydrophobicContact CG-CG 4.26Å; L81-L85 WeakPolarHBondContact O-CB 3.43Å; L81-L85 WeakPolarHBondContact O-CD1 3.42Å; L81-L85 WeakPolarHBondContact O-CG 3.13Å; L81-L85 PolarHBondContact O-N 3.43Å; L81-L118 HydrophobicContact CD1-CD1 4.3Å; L81-L118 HydrophobicContact CD2-CD1 4.28Å; L81-E121 HydrophobicContact CD2-CB 4.47Å; L81-E121 HydrophobicContact CD2-CG 4.12Å; L81-E121 WeakPolarHBondContact CD2-OE1 3.24Å; L81-L127 HydrophobicContact CB-CD1 4.28Å; L81-L127 HydrophobicContact CD2-CD1 4.3Å; L81-L127 HydrophobicContact CG-CD1 4.32Å
82D94.7Very high91.6Very high55 Ų5557.5 Ų57.529%0.29429%0.294SS..Hα-helixtrans-64.7-45.5178.568.1-52.7000112.3P80 L85 E86 L127P80-D82 WeakPolarHBondContact CB-OD1 3.39Å; P80-D82 VanDerWaalsContact CG-OD1 3.3Å; P80-D82 WeakPolarHBondContact CG-OD1 3.26Å; P80-D82 PolarHBondContact O-N 2.86Å; P80-D82 VanDerWaalsContact O-N 3.1Å; D82-L85 PolarHBondContact O-N 3.24Å; D82-E86 WeakPolarHBondContact O-CG 3.44Å; D82-E86 PolarHBondContact O-N 3.37Å; D82-L127 HydrophobicContact CB-CD1 4.06Å; D82-L127 HydrophobicContact CB-CD2 3.92Å
83K94.8Very high92Very high67 Ų6755.5 Ų55.529%0.29129%0.287SS..Hα-helixtrans-64.1-42.2175.4-65-5594-169.10111.3E79 P80 L85 E86 Q87E79-K83 HydrophobicContact CB-CB 4.18Å; P80-K83 HydrophobicContact CG-CB 4.43Å; P80-K83 HydrophobicContact CG-CG 3.97Å; P80-K83 PolarHBondContact O-N 2.92Å; P80-K83 VanDerWaalsContact O-N 3.08Å; K83-L85 PolarHBondContact O-N 3.39Å; K83-E86 IonicContact NZ-OE1 2.69Å; K83-E86 PolarHBondContact NZ-OE1 3.17Å; K83-E86 IonicContact NZ-OE2 3.27Å; K83-E86 PolarHBondContact NZ-OE2 3.12Å; K83-E86 WeakPolarHBondContact O-CB 3.23Å; K83-E86 PolarHBondContact O-N 2.84Å; K83-Q87 WeakPolarHBondContact O-CG 3.24Å; K83-Q87 PolarHBondContact O-N 3.44Å
84V95.5Very high92.5Very high0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-65.7-37.8178.9-179.10000111.6L33 C51 V53 E79 P80 L81 Q87 I88L33-V84 HydrophobicContact CD1-CG1 4.11Å; C51-V84 HydrophobicContact CB-CG1 3.84Å; V53-V84 HydrophobicContact CG2-CB 4.16Å; V53-V84 HydrophobicContact CG2-CG1 3.96Å; V53-V84 HydrophobicContact CG2-CG2 4.13Å; E79-V84 HydrophobicContact CB-CG2 3.94Å; P80-V84 PolarHBondContact O-N 3.17Å; P80-V84 VanDerWaalsContact O-N 3.17Å; L81-V84 PolarHBondContact O-N 3.43Å; V84-Q87 PolarHBondContact O-N 2.78Å; V84-I88 HydrophobicContact CG1-CD1 4.03Å; V84-I88 WeakPolarHBondContact O-CD1 3.35Å; V84-I88 VanDerWaalsContact O-CG1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.41Å; V84-I88 PolarHBondContact O-N 3.35Å
85L94.8Very high92.9Very high6 Ų648 Ų483%0.03126%0.258CS..Hα-helixtrans-67.3-39.6174.7-70.9167.8000112.6L81 D82 K83 Q87 I88 Q89 L118 L129 F133L81-L85 HydrophobicContact CD1-CD1 3.98Å; L81-L85 HydrophobicContact CD1-CD2 4.46Å; L81-L85 HydrophobicContact CD1-CG 3.94Å; L81-L85 HydrophobicContact CD2-CD1 4.47Å; L81-L85 HydrophobicContact CG-CD1 3.8Å; L81-L85 HydrophobicContact CG-CG 4.26Å; L81-L85 WeakPolarHBondContact O-CB 3.43Å; L81-L85 WeakPolarHBondContact O-CD1 3.42Å; L81-L85 WeakPolarHBondContact O-CG 3.13Å; L81-L85 PolarHBondContact O-N 3.43Å; D82-L85 PolarHBondContact O-N 3.24Å; K83-L85 PolarHBondContact O-N 3.39Å; L85-Q87 VanDerWaalsContact C-N 3.35Å; L85-I88 HydrophobicContact CD2-CD1 4.41Å; L85-I88 PolarHBondContact O-N 3.28Å; L85-Q89 PolarHBondContact O-N 2.93Å; L85-L118 HydrophobicContact CD1-CD1 4.23Å; L85-L118 HydrophobicContact CD2-CD1 4.08Å; L85-L129 HydrophobicContact CD1-CD2 3.71Å; L85-F133 HydrophobicContact CD2-CD2 4.41Å; L85-F133 HydrophobicContact CD2-CE1 4.17Å; L85-F133 HydrophobicContact CD2-CE2 3.66Å; L85-F133 HydrophobicContact CD2-CZ 3.52Å
86E93.6Very high93.1Very high84 Ų8448.2 Ų48.239%0.39326%0.259SS..Hα-helixtrans-59.6-44.3170.6-75.3175.1-16700111.4D82 K83 Q89 Q90D82-E86 WeakPolarHBondContact O-CG 3.44Å; D82-E86 PolarHBondContact O-N 3.37Å; K83-E86 IonicContact NZ-OE1 2.69Å; K83-E86 PolarHBondContact NZ-OE1 3.17Å; K83-E86 IonicContact NZ-OE2 3.27Å; K83-E86 PolarHBondContact NZ-OE2 3.12Å; K83-E86 WeakPolarHBondContact O-CB 3.23Å; K83-E86 PolarHBondContact O-N 2.84Å; E86-Q89 PolarHBondContact O-N 3.04Å; E86-Q90 WeakPolarHBondContact O-CB 3.19Å; E86-Q90 VanDerWaalsContact O-CG 3.24Å; E86-Q90 WeakPolarHBondContact O-CG 3.38Å; E86-Q90 PolarHBondContact O-N 3.48Å
87Q93.6Very high93.1Very high67 Ų6753.1 Ų53.131%0.31328%0.276SS..Hα-helixtrans-62.9-43.5177-72.6178.612.900112.6E79 K83 V84 L85 Q89 Q90 S91E79-Q87 VanDerWaalsContact CD-NE2 3.26Å; E79-Q87 PolarHBondContact OE1-NE2 2.95Å; E79-Q87 PolarHBondContact OE2-NE2 3.48Å; K83-Q87 WeakPolarHBondContact O-CG 3.24Å; K83-Q87 PolarHBondContact O-N 3.44Å; V84-Q87 PolarHBondContact O-N 2.78Å; L85-Q87 VanDerWaalsContact C-N 3.35Å; Q87-Q89 PolarHBondContact O-N 2.89Å; Q87-Q90 PolarHBondContact O-N 3.31Å; Q87-S91 VanDerWaalsContact O-CB 3.24Å; Q87-S91 WeakPolarHBondContact O-CB 3.48Å; Q87-S91 PolarHBondContact O-N 3.42Å
88I94.1Very high93.1Very high4 Ų454.4 Ų54.42%0.02127%0.27CS..Hα-helixtrans-57.5-50.5174.9-70.1158.9000109.5F11 L33 W35 V84 L85 Q90 S91 V92 F133F11-I88 HydrophobicContact CE2-CD1 4.26Å; L33-I88 HydrophobicContact CB-CD1 4.31Å; L33-I88 HydrophobicContact CD1-CD1 3.61Å; W35-I88 HydrophobicContact CD2-CG1 3.94Å; W35-I88 HydrophobicContact CD2-CG2 4.48Å; W35-I88 HydrophobicContact CE3-CD1 4.26Å; W35-I88 HydrophobicContact CE3-CG1 3.77Å; W35-I88 HydrophobicContact CH2-CD1 4.46Å; W35-I88 HydrophobicContact CH2-CG1 3.49Å; W35-I88 VanDerWaalsContact CH2-CG1 3.49Å; W35-I88 HydrophobicContact CZ2-CB 4.3Å; W35-I88 HydrophobicContact CZ2-CG1 3.65Å; W35-I88 HydrophobicContact CZ3-CD1 4.11Å; W35-I88 HydrophobicContact CZ3-CG1 3.56Å; V84-I88 HydrophobicContact CG1-CD1 4.03Å; V84-I88 WeakPolarHBondContact O-CD1 3.35Å; V84-I88 VanDerWaalsContact O-CG1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.41Å; V84-I88 PolarHBondContact O-N 3.35Å; L85-I88 HydrophobicContact CD2-CD1 4.41Å; L85-I88 PolarHBondContact O-N 3.28Å; I88-Q90 PolarHBondContact O-N 2.86Å; I88-S91 PolarHBondContact O-N 3.15Å; I88-V92 HydrophobicContact CG2-CG2 4.3Å; I88-V92 VanDerWaalsContact O-CB 3.31Å; I88-V92 WeakPolarHBondContact O-CB 3.35Å; I88-V92 VanDerWaalsContact O-CG2 3.27Å; I88-V92 WeakPolarHBondContact O-CG2 3.27Å; I88-V92 PolarHBondContact O-N 3.28Å; I88-F133 HydrophobicContact CG2-CZ 4.23Å
89Q93.1Very high92.7Very high84 Ų8456.1 Ų56.139%0.39328%0.276SS..Hα-helixtrans-61.3-43.2179.8-174.6179.2-6.800112.2L85 E86 Q87 S93 P130L85-Q89 PolarHBondContact O-N 2.93Å; E86-Q89 PolarHBondContact O-N 3.04Å; Q87-Q89 PolarHBondContact O-N 2.89Å; Q89-S93 WeakPolarHBondContact O-CB 3.39Å; Q89-S93 PolarHBondContact O-N 2.93Å; Q89-S93 PolarHBondContact O-OG 3.24Å; Q89-P130 VanDerWaalsContact OE1-CG 3.25Å
90Q92.9Very high92.2Very high121 Ų12155.3 Ų55.357%0.56529%0.291SS*.Hα-helixtrans-66.4-46.3178.3-72.3173.940.900112E86 Q87 I88 S94E86-Q90 WeakPolarHBondContact O-CB 3.19Å; E86-Q90 VanDerWaalsContact O-CG 3.24Å; E86-Q90 WeakPolarHBondContact O-CG 3.38Å; E86-Q90 PolarHBondContact O-N 3.48Å; Q87-Q90 PolarHBondContact O-N 3.31Å; I88-Q90 PolarHBondContact O-N 2.86Å; Q90-S94 WeakPolarHBondContact O-CB 3.47Å; Q90-S94 PolarHBondContact O-N 2.91Å; Q90-S94 PolarHBondContact O-OG 3.36Å
91S93.6Very high91.7Very high33 Ų3354.9 Ų54.923%0.23128%0.282CS..Hα-helixtrans-65.5-48.4-178.8-163.50000111.3H49 Q87 I88 S94 E95H49-S91 PolarHBondContact CE1-OG 2.76Å; H49-S91 PolarHBondContact NE2-OG 2.97Å; Q87-S91 VanDerWaalsContact O-CB 3.24Å; Q87-S91 WeakPolarHBondContact O-CB 3.48Å; Q87-S91 PolarHBondContact O-N 3.42Å; I88-S91 PolarHBondContact O-N 3.15Å; S91-S94 PolarHBondContact O-N 3.43Å; S91-E95 PolarHBondContact O-N 2.85Å
92V93.2Very high91Very high2 Ų260.5 Ų60.51%0.01232%0.321CS..Hα-helixtrans-61-49.7176.6171.40000110.7V9 I37 I88 S94 E95 V96 Y104V9-V92 HydrophobicContact CG1-CG2 4.14Å; V9-V92 HydrophobicContact CG2-CG1 3.7Å; V9-V92 HydrophobicContact CG2-CG2 4.27Å; I37-V92 HydrophobicContact CD1-CB 4.42Å; I37-V92 HydrophobicContact CD1-CG1 4.1Å; I37-V92 HydrophobicContact CD1-CG2 4.42Å; I88-V92 HydrophobicContact CG2-CG2 4.3Å; I88-V92 VanDerWaalsContact O-CB 3.31Å; I88-V92 WeakPolarHBondContact O-CB 3.35Å; I88-V92 VanDerWaalsContact O-CG2 3.27Å; I88-V92 WeakPolarHBondContact O-CG2 3.27Å; I88-V92 PolarHBondContact O-N 3.28Å; V92-S94 PolarHBondContact O-N 2.89Å; V92-E95 PolarHBondContact O-N 3.12Å; V92-E95 VanDerWaalsContact O-N 3.16Å; V92-V96 HydrophobicContact CG1-CG2 3.84Å; V92-V96 WeakPolarHBondContact O-CB 3.46Å; V92-V96 WeakPolarHBondContact O-CG2 3.41Å; V92-V96 PolarHBondContact O-N 2.82Å; V92-Y104 HydrophobicContact CG1-CD1 3.75Å; V92-Y104 HydrophobicContact CG1-CD2 3.87Å; V92-Y104 HydrophobicContact CG1-CE1 3.58Å; V92-Y104 HydrophobicContact CG1-CE2 3.71Å; V92-Y104 HydrophobicContact CG1-CG 3.9Å
93S91.9Very high90.6Very high36 Ų3659.4 Ų59.425%0.25232%0.318SS..Hα-helixtrans-59.7-31179.1-59.80000112.8Q89 K97Q89-S93 WeakPolarHBondContact O-CB 3.39Å; Q89-S93 PolarHBondContact O-N 2.93Å; Q89-S93 PolarHBondContact O-OG 3.24Å; S93-K97 WeakPolarHBondContact O-CB 3.29Å; S93-K97 VanDerWaalsContact O-CD 3.29Å; S93-K97 WeakPolarHBondContact O-CD 3.42Å; S93-K97 WeakPolarHBondContact O-CG 3.18Å; S93-K97 PolarHBondContact O-N 2.63Å
94S91.8Very high90.4Very high75 Ų7558.4 Ų58.452%0.52431%0.312SS..Hα-helixtrans-77.5-34.4179.2-590000112.7Q90 S91 V92 R98Q90-S94 WeakPolarHBondContact O-CB 3.47Å; Q90-S94 PolarHBondContact O-N 2.91Å; Q90-S94 PolarHBondContact O-OG 3.36Å; S91-S94 PolarHBondContact O-N 3.43Å; V92-S94 PolarHBondContact O-N 2.89Å; S94-R98 PolarHBondContact O-N 2.97Å
95E91.6Very high90.3Very high6 Ų659.5 Ų59.53%0.02832%0.319CS..Hα-helixtrans-81.4-39.4176.9-173.2154.3-9800112.6I37 K47 S91 V92 K97 R98 L99I37-E95 HydrophobicContact CD1-CB 3.76Å; I37-E95 HydrophobicContact CD1-CG 3.9Å; K47-E95 PolarHBondContact N-OE2 3.47Å; S91-E95 PolarHBondContact O-N 2.85Å; V92-E95 PolarHBondContact O-N 3.12Å; V92-E95 VanDerWaalsContact O-N 3.16Å; E95-K97 VanDerWaalsContact C-N 3.31Å; E95-K97 PolarHBondContact O-N 3.37Å; E95-R98 WeakPolarHBondContact O-CA 3.49Å; E95-R98 VanDerWaalsContact O-CB 3.25Å; E95-R98 WeakPolarHBondContact O-CB 3.32Å; E95-R98 PolarHBondContact O-N 2.88Å; E95-R98 IonicContact OE1-CZ 3.2Å; E95-R98 IonicContact OE1-NH1 2.68Å; E95-R98 PolarHBondContact OE1-NH1 3.08Å; E95-R98 IonicContact OE1-NH2 2.87Å; E95-R98 PolarHBondContact OE1-NH2 3.11Å; E95-L99 PolarHBondContact O-N 2.78Å
96V90.3Very high90.3Very high6 Ų659.3 Ų59.34%0.03632%0.318CS..Hα-helixtrans-56.7-43.9171.4171.60000111T7 I37 V92 R98 L99 G100 R101 Y104T7-V96 HydrophobicContact CG2-CG2 4.29Å; I37-V96 HydrophobicContact CD1-CG2 3.94Å; V92-V96 HydrophobicContact CG1-CG2 3.84Å; V92-V96 WeakPolarHBondContact O-CB 3.46Å; V92-V96 WeakPolarHBondContact O-CG2 3.41Å; V92-V96 PolarHBondContact O-N 2.82Å; V96-R98 VanDerWaalsContact C-N 3.34Å; V96-R98 PolarHBondContact O-N 2.92Å; V96-L99 PolarHBondContact O-N 3.13Å; V96-G100 PolarHBondContact O-N 3.35Å; V96-R101 HydrophobicContact CG1-CB 3.82Å; V96-R101 PolarHBondContact O-N 3.41Å; V96-Y104 HydrophobicContact CG2-CD1 3.99Å; V96-Y104 HydrophobicContact CG2-CG 4.31Å
97K89.8Confident90.4Very high156 Ų15655.3 Ų55.368%0.67830%0.299SS*.Hα-helixtrans-63.9-35.4172.6-75.5171.6-173.3175.60113.1S93 E95 L99 G100S93-K97 WeakPolarHBondContact O-CB 3.29Å; S93-K97 VanDerWaalsContact O-CD 3.29Å; S93-K97 WeakPolarHBondContact O-CD 3.42Å; S93-K97 WeakPolarHBondContact O-CG 3.18Å; S93-K97 PolarHBondContact O-N 2.63Å; E95-K97 VanDerWaalsContact C-N 3.31Å; E95-K97 PolarHBondContact O-N 3.37Å; K97-L99 VanDerWaalsContact C-N 3.26Å; K97-L99 PolarHBondContact O-N 3.36Å; K97-G100 PolarHBondContact O-N 3.35Å
98R88Confident90.4Very high177 Ų17752.1 Ų52.167%0.66828%0.284SS*.Hα-helixtrans-65.6-30.5177.3-153.9-163.8-47.9136.79.2112.1S94 E95 V96 G100S94-R98 PolarHBondContact O-N 2.97Å; E95-R98 WeakPolarHBondContact O-CA 3.49Å; E95-R98 VanDerWaalsContact O-CB 3.25Å; E95-R98 WeakPolarHBondContact O-CB 3.32Å; E95-R98 PolarHBondContact O-N 2.88Å; E95-R98 IonicContact OE1-CZ 3.2Å; E95-R98 IonicContact OE1-NH1 2.68Å; E95-R98 PolarHBondContact OE1-NH1 3.08Å; E95-R98 IonicContact OE1-NH2 2.87Å; E95-R98 PolarHBondContact OE1-NH2 3.11Å; V96-R98 VanDerWaalsContact C-N 3.34Å; V96-R98 PolarHBondContact O-N 2.92Å; R98-G100 VanDerWaalsContact C-N 3.27Å
99L85.6Confident90.3Very high53 Ų5353 Ų5328%0.27729%0.29SS..THydrogen-bonded Turntrans-82.21.1173.1-64.9168.4000113.2I37 D39 E95 V96 K97 R101I37-L99 HydrophobicContact CG2-CD1 4.03Å; D39-L99 HydrophobicContact CB-CD1 4.33Å; E95-L99 PolarHBondContact O-N 2.78Å; V96-L99 PolarHBondContact O-N 3.13Å; K97-L99 VanDerWaalsContact C-N 3.26Å; K97-L99 PolarHBondContact O-N 3.36Å; L99-R101 HydrophobicContact CB-CG 3.87Å; L99-R101 PolarHBondContact O-N 2.77Å
100G83.6Confident90.2Very high69 Ų6949.2 Ų49.271%0.71127%0.272SS*.THydrogen-bonded Turntrans71.515.7-177.100000114.5V96 K97 R98V96-G100 PolarHBondContact O-N 3.35Å; K97-G100 PolarHBondContact O-N 3.35Å; R98-G100 VanDerWaalsContact C-N 3.27Å
101R84.4Confident90.2Very high50 Ų5043.7 Ų43.719%0.18925%0.247CC..  trans-97.3159.7-176.6-51.6-62.4-175.3-160.4-11111.1T7 D39 V96 L99T7-R101 WeakPolarHBondContact OG1-CG 3.47Å; D39-R101 IonicContact OD1-CZ 3.77Å; D39-R101 IonicContact OD1-NE 2.79Å; D39-R101 IonicContact OD1-NH2 2.75Å; D39-R101 PolarHBondContact OD1-NH2 2.86Å; D39-R101 VanDerWaalsContact OD1-NH2 3.12Å; D39-R101 IonicContact OD2-CZ 2.78Å; D39-R101 VanDerWaalsContact OD2-CZ 3.25Å; D39-R101 IonicContact OD2-NE 2.7Å; D39-R101 PolarHBondContact OD2-NE 3.35Å; D39-R101 IonicContact OD2-NH2 2.97Å; D39-R101 PolarHBondContact OD2-NH2 3.17Å; V96-R101 HydrophobicContact CG1-CB 3.82Å; V96-R101 PolarHBondContact O-N 3.41Å; L99-R101 HydrophobicContact CB-CG 3.87Å; L99-R101 PolarHBondContact O-N 2.77Å
102S80.5Confident90.3Very high119 Ų11943.5 Ų43.583%0.83224%0.243SC*.  trans-120.5-16.6-175.357.60000114.7
103S85.6Confident90.4Very high32 Ų3244 Ų4422%0.22425%0.246CC..  trans-136.7154.9-179.261.30000111H4H4-S103 PolarHBondContact O-OG 3.49Å
104Y91Very high90.6Very high46 Ų4642.3 Ų42.318%0.1823%0.234CC..  trans-147.7157.3171.866.3-89.1000109.9T7 V9 V92 V96 L106 C132T7-Y104 VanDerWaalsContact O-CA 3.3Å; T7-Y104 WeakPolarHBondContact O-CA 3.49Å; V9-Y104 HydrophobicContact CB-CD2 4.41Å; V9-Y104 HydrophobicContact CG2-CD2 3.57Å; V9-Y104 HydrophobicContact CG2-CE2 4.26Å; V9-Y104 HydrophobicContact CG2-CG 4.06Å; V92-Y104 HydrophobicContact CG1-CD1 3.75Å; V92-Y104 HydrophobicContact CG1-CD2 3.87Å; V92-Y104 HydrophobicContact CG1-CE1 3.58Å; V92-Y104 HydrophobicContact CG1-CE2 3.71Å; V92-Y104 HydrophobicContact CG1-CG 3.9Å; V96-Y104 HydrophobicContact CG2-CD1 3.99Å; V96-Y104 HydrophobicContact CG2-CG 4.31Å; Y104-L106 HydrophobicContact CE2-CD2 4.32Å; Y104-C132 HydrophobicContact CE2-CB 3.68Å; Y104-C132 PolarHBondContact OH-SG 3.36Å
105T92.7Very high90.8Very high23 Ų2338.9 Ų38.914%0.14121%0.209CC..EExtended strand (participates in β ladder)trans-127.3143.5171.7-520000109.9S5 T7 L8 V9 V137 A202S5-T105 WeakPolarHBondContact CB-OG1 3.33Å; S5-T105 PolarHBondContact OG-OG1 2.69Å; T7-T105 PolarHBondContact O-N 3.17Å; L8-T105 WeakPolarHBondContact CA-O 3.38Å; V9-T105 PolarHBondContact N-O 2.74Å; T105-V137 HydrophobicContact CG2-CG2 3.92Å; T105-A202 HydrophobicContact CG2-CB 4.39Å
106L94.8Very high91Very high2 Ų239 Ų391%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-70.9140.1174.8-57.6-179.3000110.4V9 Y104 I114 C132 F133 F136 V137V9-L106 HydrophobicContact CB-CD2 4.06Å; V9-L106 HydrophobicContact CG1-CD2 4.22Å; V9-L106 CarbonylContact O-C 3.55Å; V9-L106 WeakPolarHBondContact O-CA 3.2Å; Y104-L106 HydrophobicContact CE2-CD2 4.32Å; L106-I114 HydrophobicContact CD1-CD1 4.23Å; L106-C132 VanDerWaalsContact CD1-O 3.27Å; L106-C132 WeakPolarHBondContact CD1-O 3.37Å; L106-F133 HydrophobicContact CD1-CD1 3.37Å; L106-F133 HydrophobicContact CD1-CE1 3.7Å; L106-F133 HydrophobicContact CD1-CG 4.14Å; L106-F136 HydrophobicContact CB-CB 4.02Å; L106-F136 CarbonylContact O-C 3.55Å; L106-F136 WeakPolarHBondContact O-CA 3.5Å; L106-V137 PolarHBondContact O-N 2.83Å
107L95.4Very high91.2Very high0 Ų038.9 Ų38.90%021%0.209CC..EExtended strand (participates in β ladder)trans-118.6122.9172.8-179.570.1000108.9L8 V9 V10 F11 V137 L139 M183 T187 F199L8-L107 HydrophobicContact CB-CB 4.42Å; L8-L107 HydrophobicContact CD1-CB 4.34Å; L8-L107 HydrophobicContact CD1-CD1 4.48Å; L8-L107 HydrophobicContact CD1-CD2 3.96Å; V9-L107 PolarHBondContact O-N 2.94Å; V10-L107 HydrophobicContact CG2-CD2 4.04Å; F11-L107 PolarHBondContact N-O 3.16Å; L107-V137 WeakPolarHBondContact CA-O 3.21Å; L107-V137 HydrophobicContact CD1-CB 3.76Å; L107-V137 HydrophobicContact CD1-CG1 3.62Å; L107-L139 HydrophobicContact CD1-CB 3.95Å; L107-L139 HydrophobicContact CD1-CD1 4.45Å; L107-L139 HydrophobicContact CD2-CD1 4.35Å; L107-L139 HydrophobicContact CG-CB 4.29Å; L107-M183 VanDerWaalsContact O-CE 3.24Å; L107-M183 WeakPolarHBondContact O-CE 3.5Å; L107-T187 HydrophobicContact CD2-CG2 3.9Å; L107-T187 WeakPolarHBondContact CD2-OG1 3.33Å; L107-F199 HydrophobicContact CD1-CE1 4.43Å
108V95.5Very high91.5Very high0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-126.4149.1-172.2-640000112.6F11 G110 V113 I114 F136 V137 L139F11-V108 HydrophobicContact CB-CG1 4.17Å; F11-V108 HydrophobicContact CD1-CG1 4.08Å; V108-G110 VanDerWaalsContact C-N 3.26Å; V108-G110 WeakPolarHBondContact CG2-O 3.2Å; V108-G110 PolarHBondContact O-N 2.67Å; V108-V113 HydrophobicContact CB-CG1 4.02Å; V108-V113 HydrophobicContact CG1-CG1 3.76Å; V108-I114 HydrophobicContact CG1-CD1 4.25Å; V108-I114 HydrophobicContact CG1-CG1 4.04Å; V108-F136 HydrophobicContact CG2-CB 4.5Å; V108-F136 HydrophobicContact CG2-CD2 3.45Å; V108-F136 VanDerWaalsContact CG2-CD2 3.45Å; V108-F136 HydrophobicContact CG2-CE2 3.94Å; V108-F136 HydrophobicContact CG2-CG 4.2Å; V108-V137 PolarHBondContact N-O 2.83Å; V108-L139 WeakPolarHBondContact O-CB 3.28Å; V108-L139 PolarHBondContact O-N 3.38Å
109N92.1Very high91.9Very high24 Ų2423.1 Ų23.113%0.12815%0.146CC..SBendtrans-8166.4176.8-177.611.1000111.3R140 E179 M183N109-R140 PolarHBondContact O-NE 2.82Å; N109-R140 PolarHBondContact O-NH2 2.95Å; N109-R140 PolarHBondContact OD1-NE 3.49Å; N109-R140 PolarHBondContact OD1-NH2 3Å; N109-E179 PolarHBondContact ND2-OE2 3.35Å; N109-M183 HydrophobicContact CB-CE 4.15Å; N109-M183 HydrophobicContact CB-CG 4.28Å; N109-M183 HydrophobicContact CB-SD 3.74Å
110G90.6Very high92.4Very high3 Ų322 Ų223%0.03114%0.142CC..SBendtrans88.7160.4-169.900000113.3V108 H112 D138V108-G110 VanDerWaalsContact C-N 3.26Å; V108-G110 WeakPolarHBondContact CG2-O 3.2Å; V108-G110 PolarHBondContact O-N 2.67Å; G110-H112 VanDerWaalsContact C-N 3.34Å; G110-H112 PolarHBondContact O-N 2.77Å; G110-D138 VanDerWaalsContact CA-OD1 3.28Å; G110-D138 WeakPolarHBondContact CA-OD1 3.23Å; G110-D138 PolarHBondContact N-OD1 2.89Å; G110-D138 VanDerWaalsContact N-OD1 3.08Å
111P93.2Very high93Very high5 Ų519.2 Ų19.23%0.03211%0.11CC..THydrogen-bonded Turntrans-75.4-15.2-166.629.8-37.8000115.1V113 I114 R115 F136 L280P111-V113 PolarHBondContact O-N 3.21Å; P111-I114 PolarHBondContact O-N 2.79Å; P111-R115 HydrophobicContact CB-CG 4.02Å; P111-R115 WeakPolarHBondContact O-CB 3.31Å; P111-R115 PolarHBondContact O-N 3Å; P111-F136 HydrophobicContact CB-CE2 4.17Å; P111-F136 HydrophobicContact CB-CZ 4.03Å; P111-L280 HydrophobicContact CG-CD1 4.3Å
112H94.7Very high93.5Very high30 Ų3017 Ų1714%0.13910%0.102CC..Hα-helixtrans-55.7-43.4-166.9-4985.7000113.9L23 G110 I114 R115 Q116 A117L23-H112 HydrophobicContact CB-CB 4.01Å; L23-H112 HydrophobicContact CD2-CB 4.27Å; G110-H112 VanDerWaalsContact C-N 3.34Å; G110-H112 PolarHBondContact O-N 2.77Å; H112-I114 VanDerWaalsContact C-N 3.29Å; H112-I114 PolarHBondContact O-N 2.99Å; H112-R115 PolarHBondContact O-N 3.39Å; H112-Q116 HydrophobicContact CB-CG 4.47Å; H112-Q116 WeakPolarHBondContact O-CA 3.41Å; H112-Q116 WeakPolarHBondContact O-CB 3.21Å; H112-Q116 PolarHBondContact O-N 3.21Å; H112-A117 PolarHBondContact O-N 2.86Å
113V95.6Very high94.1Very high12 Ų1212.7 Ų12.77%0.0737%0.072CC..Iπ-helixtrans-60.6-38-17867.80000112.4F11 L23 V108 P111 L118F11-V113 HydrophobicContact CD1-CG1 4.27Å; F11-V113 HydrophobicContact CD1-CG2 4.47Å; F11-V113 HydrophobicContact CE1-CG1 4.47Å; F11-V113 HydrophobicContact CE1-CG2 3.99Å; L23-V113 HydrophobicContact CD2-CB 4.35Å; V108-V113 HydrophobicContact CB-CG1 4.02Å; V108-V113 HydrophobicContact CG1-CG1 3.76Å; P111-V113 PolarHBondContact O-N 3.21Å; V113-L118 VanDerWaalsContact O-CB 3.25Å; V113-L118 WeakPolarHBondContact O-CB 3.4Å; V113-L118 PolarHBondContact O-N 2.85Å
114I95.9Very high94.4Very high0 Ų016.6 Ų16.60%09%0.085CC..Iπ-helixtrans-81.3-54.9175.7-52.6-57.4000110.4F11 L106 V108 P111 H112 L118 H119 F133 F136 V205F11-I114 HydrophobicContact CD1-CD1 4.04Å; F11-I114 HydrophobicContact CE1-CD1 3.96Å; L106-I114 HydrophobicContact CD1-CD1 4.23Å; V108-I114 HydrophobicContact CG1-CD1 4.25Å; V108-I114 HydrophobicContact CG1-CG1 4.04Å; P111-I114 PolarHBondContact O-N 2.79Å; H112-I114 VanDerWaalsContact C-N 3.29Å; H112-I114 PolarHBondContact O-N 2.99Å; I114-L118 HydrophobicContact CD1-CD2 4.21Å; I114-H119 WeakPolarHBondContact O-CB 3.35Å; I114-H119 PolarHBondContact O-CD2 2.82Å; I114-H119 VanDerWaalsContact O-CD2 3.25Å; I114-H119 PolarHBondContact O-N 2.7Å; I114-H119 VanDerWaalsContact O-N 3.1Å; I114-F133 HydrophobicContact CD1-CD1 4.29Å; I114-F136 HydrophobicContact CB-CD1 4.04Å; I114-F136 HydrophobicContact CB-CE1 3.97Å; I114-F136 HydrophobicContact CG1-CD1 3.95Å; I114-F136 HydrophobicContact CG1-CE1 4.33Å; I114-F136 HydrophobicContact CG1-CG 4.14Å; I114-F136 HydrophobicContact CG2-CD1 3.77Å; I114-F136 HydrophobicContact CG2-CE1 3.79Å; I114-V205 HydrophobicContact CG2-CG2 4.09Å
115R95.7Very high94.5Very high4 Ų416.4 Ų16.42%0.0159%0.085CC..Iπ-helixtrans-77.2-35.1-167.5-64-161.9-179.5-80.12.2114.1P111 H112 P120 F136 E203 T204 G246 L247 H277 L280 R284P111-R115 HydrophobicContact CB-CG 4.02Å; P111-R115 WeakPolarHBondContact O-CB 3.31Å; P111-R115 PolarHBondContact O-N 3Å; H112-R115 PolarHBondContact O-N 3.39Å; R115-P120 WeakPolarHBondContact O-CD 3.19Å; R115-F136 HydrophobicContact CG-CE1 4.29Å; R115-F136 HydrophobicContact CG-CZ 4.12Å; R115-E203 IonicContact CZ-OE2 2.7Å; R115-E203 VanDerWaalsContact CZ-OE2 3.32Å; R115-E203 IonicContact NE-OE2 2.74Å; R115-E203 PolarHBondContact NE-OE2 3.21Å; R115-E203 VanDerWaalsContact NE-OE2 3.08Å; R115-E203 IonicContact NH2-OE2 3.18Å; R115-E203 PolarHBondContact NH2-OE2 3.17Å; R115-T204 PolarHBondContact NH1-O 3.33Å; R115-T204 PolarHBondContact NH2-O 3.11Å; R115-G246 WeakPolarHBondContact CD-O 3.29Å; R115-G246 VanDerWaalsContact CG-O 3.32Å; R115-G246 WeakPolarHBondContact CG-O 3.25Å; R115-G246 PolarHBondContact NH1-O 3.37Å; R115-L247 HydrophobicContact CB-CD2 4.08Å; R115-H277 PolarHBondContact NE-NE2 3.13Å; R115-L280 HydrophobicContact CB-CD1 4.49Å; R115-R284 PolarHBondContact O-NH2 3.02Å
116Q95.4Very high94.5Very high7 Ų721.8 Ų21.83%0.03311%0.113CC..Iπ-helixtrans-105.7-30.3-172.8-61.7-71.761.300114.4L23 H112 P120 L280 E283L23-Q116 WeakPolarHBondContact O-CB 3.28Å; H112-Q116 HydrophobicContact CB-CG 4.47Å; H112-Q116 WeakPolarHBondContact O-CA 3.41Å; H112-Q116 WeakPolarHBondContact O-CB 3.21Å; H112-Q116 PolarHBondContact O-N 3.21Å; Q116-P120 VanDerWaalsContact O-CG 3.29Å; Q116-P120 WeakPolarHBondContact O-CG 3.18Å; Q116-L280 HydrophobicContact CG-CD2 3.95Å; Q116-L280 PolarHBondContact NE2-O 3.47Å; Q116-E283 PolarHBondContact NE2-OE2 3.17Å
117A95.6Very high94.5Very high4 Ų424 Ų243%0.03313%0.125CC..Iπ-helixtrans-100.9-67.5175.800000112.5T15 L23 I30 H112 H119 P120 E121T15-A117 HydrophobicContact CG2-CB 4.06Å; L23-A117 HydrophobicContact CD2-CB 3.54Å; I30-A117 HydrophobicContact CD1-CB 4.02Å; I30-A117 HydrophobicContact CG1-CB 3.93Å; H112-A117 PolarHBondContact O-N 2.86Å; A117-H119 PolarHBondContact O-N 3Å; A117-P120 WeakPolarHBondContact O-CD 3.41Å; A117-E121 WeakPolarHBondContact O-CB 3.49Å; A117-E121 PolarHBondContact O-N 3.25Å
118L96.3Very high94.3Very high0 Ų030.8 Ų30.80%017%0.166CC..Iπ-helixtrans-63.4-47.2-166.3-177.363.6000113.9I30 L81 L85 V113 I114 A122 L129 F133I30-L118 HydrophobicContact CD1-CB 4Å; I30-L118 HydrophobicContact CD1-CD1 3.97Å; L81-L118 HydrophobicContact CD1-CD1 4.3Å; L81-L118 HydrophobicContact CD2-CD1 4.28Å; L85-L118 HydrophobicContact CD1-CD1 4.23Å; L85-L118 HydrophobicContact CD2-CD1 4.08Å; V113-L118 VanDerWaalsContact O-CB 3.25Å; V113-L118 WeakPolarHBondContact O-CB 3.4Å; V113-L118 PolarHBondContact O-N 2.85Å; I114-L118 HydrophobicContact CD1-CD2 4.21Å; L118-A122 WeakPolarHBondContact O-CB 3.48Å; L118-A122 PolarHBondContact O-N 3.47Å; L118-L129 HydrophobicContact CD1-CD2 3.97Å; L118-L129 HydrophobicContact CD2-CD2 4.33Å; L118-L129 HydrophobicContact CG-CD1 4.32Å; L118-L129 HydrophobicContact CG-CD2 3.98Å; L118-F133 HydrophobicContact CD2-CB 4.13Å; L118-F133 HydrophobicContact CD2-CD1 3.27Å; L118-F133 HydrophobicContact CD2-CE1 3.78Å; L118-F133 HydrophobicContact CD2-CG 3.78Å
119H96.4Very high94.2Very high2 Ų231.7 Ų31.71%0.00917%0.171CC..Hα-helixtrans-67.6-44179.2-86.8-99.7000113.3I114 A117 S123 F133 F134 K245 G246I114-H119 WeakPolarHBondContact O-CB 3.35Å; I114-H119 PolarHBondContact O-CD2 2.82Å; I114-H119 VanDerWaalsContact O-CD2 3.25Å; I114-H119 PolarHBondContact O-N 2.7Å; I114-H119 VanDerWaalsContact O-N 3.1Å; A117-H119 PolarHBondContact O-N 3Å; H119-S123 VanDerWaalsContact O-CB 3.22Å; H119-S123 WeakPolarHBondContact O-CB 3.5Å; H119-S123 PolarHBondContact O-N 3.14Å; H119-F133 PolarHBondContact NE2-O 2.8Å; H119-F134 AromaticContact CE1-CD1 3.66Å; H119-F134 AromaticContact CE1-CE1 3.49Å; H119-F134 VanDerWaalsContact CE1-CE1 3.49Å; H119-F134 WeakPolarHBondContact CE1-CE1 3.46Å; H119-F134 AromaticContact CE1-CZ 3.9Å; H119-K245 HydrophobicContact CB-CG 4.26Å; H119-G246 VanDerWaalsContact CB-CA 3.5Å
120P95.3Very high94.1Very high31 Ų3131.6 Ų31.620%0.20117%0.171CC..Hα-helixtrans-61.2-46.8171.3-31.841.5000114.3R115 Q116 A117 S123 K124 K245R115-P120 WeakPolarHBondContact O-CD 3.19Å; Q116-P120 VanDerWaalsContact O-CG 3.29Å; Q116-P120 WeakPolarHBondContact O-CG 3.18Å; A117-P120 WeakPolarHBondContact O-CD 3.41Å; P120-S123 CarbonylContact O-C 3.54Å; P120-S123 PolarHBondContact O-N 2.93Å; P120-K124 WeakPolarHBondContact O-CB 3.3Å; P120-K124 PolarHBondContact O-N 2.96Å; P120-K245 WeakPolarHBondContact CG-O 3.41Å
121E95.6Very high94Very high10 Ų1039.9 Ų39.95%0.04721%0.209CC..Hα-helixtrans-66.1-47.9-178.1-170.3-175.1151.200111.6E29 I30 L81 A117 S123 K124 K125E29-E121 WeakPolarHBondContact CA-OE2 3.39Å; I30-E121 WeakPolarHBondContact CG1-OE2 3.26Å; I30-E121 PolarHBondContact N-OE2 2.85Å; L81-E121 HydrophobicContact CD2-CB 4.47Å; L81-E121 HydrophobicContact CD2-CG 4.12Å; L81-E121 WeakPolarHBondContact CD2-OE1 3.24Å; A117-E121 WeakPolarHBondContact O-CB 3.49Å; A117-E121 PolarHBondContact O-N 3.25Å; E121-S123 PolarHBondContact O-N 2.77Å; E121-K124 WeakPolarHBondContact O-CB 3.34Å; E121-K124 PolarHBondContact O-N 3.02Å; E121-K125 HydrophobicContact CG-CD 4.05Å; E121-K125 HydrophobicContact CG-CG 4.47Å; E121-K125 PolarHBondContact O-N 3Å; E121-K125 VanDerWaalsContact OE1-CE 3.29Å; E121-K125 WeakPolarHBondContact OE1-CE 3.46Å; E121-K125 IonicContact OE1-NZ 2.84Å; E121-K125 PolarHBondContact OE1-NZ 3.46Å
122A94.9Very high93.8Very high2 Ų241 Ų412%0.01722%0.217CC..Hα-helixtrans-57.4-39.117400000111.3L118 K124 K125 N126 L127 L129L118-A122 WeakPolarHBondContact O-CB 3.48Å; L118-A122 PolarHBondContact O-N 3.47Å; A122-K124 PolarHBondContact O-N 2.83Å; A122-K125 CarbonylContact O-C 3.53Å; A122-N126 CarbonylContact O-C 3.57Å; A122-N126 WeakPolarHBondContact O-CA 3.49Å; A122-N126 PolarHBondContact O-N 2.74Å; A122-L127 HydrophobicContact CB-CB 4.15Å; A122-L127 PolarHBondContact O-N 3.12Å; A122-L129 HydrophobicContact CB-CD1 3.94Å; A122-L129 HydrophobicContact CB-CD2 3.71Å; A122-L129 HydrophobicContact CB-CG 3.64Å
123S93.3Very high93.8Very high29 Ų2939.6 Ų39.620%0.20321%0.21CC..Hα-helixtrans-70.2-27.4175.8-168.90000114.3H119 P120 E121 R242H119-S123 VanDerWaalsContact O-CB 3.22Å; H119-S123 WeakPolarHBondContact O-CB 3.5Å; H119-S123 PolarHBondContact O-N 3.14Å; P120-S123 CarbonylContact O-C 3.54Å; P120-S123 PolarHBondContact O-N 2.93Å; E121-S123 PolarHBondContact O-N 2.77Å; S123-R242 WeakPolarHBondContact OG-CG 3.47Å
124K92.3Very high93.7Very high115 Ų11541.1 Ų41.150%0.522%0.216SC..Hα-helixtrans-77.2-40.3176-178.7172.4171.5175.40110.8E27 P120 E121 A122 N126E27-K124 IonicContact OE1-NZ 3.13Å; E27-K124 PolarHBondContact OE1-NZ 3.03Å; P120-K124 WeakPolarHBondContact O-CB 3.3Å; P120-K124 PolarHBondContact O-N 2.96Å; E121-K124 WeakPolarHBondContact O-CB 3.34Å; E121-K124 PolarHBondContact O-N 3.02Å; A122-K124 PolarHBondContact O-N 2.83Å; K124-N126 VanDerWaalsContact C-N 3.31Å; K124-N126 PolarHBondContact O-ND2 2.99Å
125K93.3Very high93.6Very high42 Ų4243.1 Ų43.118%0.18323%0.23CC..THydrogen-bonded Turntrans-82.3-1.1175.3-65.9-177.6178.8-179.90114.1E29 D56 E121 A122 L127E29-K125 WeakPolarHBondContact OE1-CE 3.21Å; E29-K125 IonicContact OE1-NZ 3.89Å; E29-K125 PolarHBondContact OE1-NZ 2.77Å; D56-K125 VanDerWaalsContact CG-CE 3.4Å; D56-K125 WeakPolarHBondContact OD1-CE 3.46Å; D56-K125 IonicContact OD1-NZ 3.93Å; D56-K125 PolarHBondContact OD1-NZ 2.92Å; D56-K125 VanDerWaalsContact OD1-NZ 3.13Å; D56-K125 VanDerWaalsContact OD2-CE 3.27Å; D56-K125 WeakPolarHBondContact OD2-CE 3.27Å; E121-K125 HydrophobicContact CG-CD 4.05Å; E121-K125 HydrophobicContact CG-CG 4.47Å; E121-K125 PolarHBondContact O-N 3Å; E121-K125 VanDerWaalsContact OE1-CE 3.29Å; E121-K125 WeakPolarHBondContact OE1-CE 3.46Å; E121-K125 IonicContact OE1-NZ 2.84Å; E121-K125 PolarHBondContact OE1-NZ 3.46Å; A122-K125 CarbonylContact O-C 3.53Å; K125-L127 VanDerWaalsContact C-N 3.26Å; K125-L127 HydrophobicContact CB-CD1 4.02Å; K125-L127 HydrophobicContact CB-CD2 4.37Å; K125-L127 HydrophobicContact CB-CG 3.75Å; K125-L127 PolarHBondContact O-N 2.82Å
126N92.9Very high93.6Very high135 Ų13542.9 Ų42.972%0.72223%0.229SC*.THydrogen-bonded Turntrans58.830.5-177.6-57-88.2000114.4A122 K124A122-N126 CarbonylContact O-C 3.57Å; A122-N126 WeakPolarHBondContact O-CA 3.49Å; A122-N126 PolarHBondContact O-N 2.74Å; K124-N126 VanDerWaalsContact C-N 3.31Å; K124-N126 PolarHBondContact O-ND2 2.99Å
127L93.6Very high93.5Very high50 Ų5042.8 Ų42.826%0.26223%0.229SC..  trans-82.2144.7179.4-54-179.3000111.6L81 D82 A122 K125L81-L127 HydrophobicContact CB-CD1 4.28Å; L81-L127 HydrophobicContact CD2-CD1 4.3Å; L81-L127 HydrophobicContact CG-CD1 4.32Å; D82-L127 HydrophobicContact CB-CD1 4.06Å; D82-L127 HydrophobicContact CB-CD2 3.92Å; A122-L127 HydrophobicContact CB-CB 4.15Å; A122-L127 PolarHBondContact O-N 3.12Å; K125-L127 VanDerWaalsContact C-N 3.26Å; K125-L127 HydrophobicContact CB-CD1 4.02Å; K125-L127 HydrophobicContact CB-CD2 4.37Å; K125-L127 HydrophobicContact CB-CG 3.75Å; K125-L127 PolarHBondContact O-N 2.82Å
128V91.4Very high93.4Very high142 Ų14242.9 Ų42.986%0.86123%0.229SC*.  trans-90107.9172.6-178.40000108.8
129L93.1Very high93.3Very high18 Ų1842.9 Ų42.99%0.09423%0.229CC..  trans-68.2138.9174.7-72.5176.5000111.3L85 L118 A122 F134L85-L129 HydrophobicContact CD1-CD2 3.71Å; L118-L129 HydrophobicContact CD1-CD2 3.97Å; L118-L129 HydrophobicContact CD2-CD2 4.33Å; L118-L129 HydrophobicContact CG-CD1 4.32Å; L118-L129 HydrophobicContact CG-CD2 3.98Å; A122-L129 HydrophobicContact CB-CD1 3.94Å; A122-L129 HydrophobicContact CB-CD2 3.71Å; A122-L129 HydrophobicContact CB-CG 3.64Å; L129-F134 HydrophobicContact CB-CE2 3.7Å; L129-F134 HydrophobicContact CB-CZ 4.06Å; L129-F134 WeakPolarHBondContact O-CE2 3.39Å
130P90.8Very high93Very high22 Ų2245.3 Ų45.314%0.14324%0.238CC..  trans-60.2151.3167-26.134.9000113.2Q89 C132 F133 F134Q89-P130 VanDerWaalsContact OE1-CG 3.25Å; P130-C132 PolarHBondContact O-N 2.79Å; P130-C132 VanDerWaalsContact O-N 3.12Å; P130-F133 HydrophobicContact CB-CD2 4.04Å; P130-F133 HydrophobicContact CB-CE2 4.27Å; P130-F133 HydrophobicContact CG-CD2 4.17Å; P130-F133 HydrophobicContact CG-CE2 4.12Å; P130-F133 PolarHBondContact O-N 2.81Å; P130-F134 WeakPolarHBondContact O-CD2 3.48Å
131E88.8Confident92.8Very high178 Ų17846.4 Ų46.483%0.83224%0.24SC*.G310 helixtrans-57.7-30.2-175.1-64.5-168.7149.300114.1F133 F134E131-F133 PolarHBondContact O-N 3.31Å; E131-F134 WeakPolarHBondContact O-CB 3.46Å; E131-F134 PolarHBondContact O-N 3.02Å
132C89.8Confident92.5Very high27 Ų2746.1 Ų46.118%0.18224%0.238CC..G310 helixtrans-62.7-20.4177.657.90000114Y104 L106 P130 F134 S135Y104-C132 HydrophobicContact CE2-CB 3.68Å; Y104-C132 PolarHBondContact OH-SG 3.36Å; L106-C132 VanDerWaalsContact CD1-O 3.27Å; L106-C132 WeakPolarHBondContact CD1-O 3.37Å; P130-C132 PolarHBondContact O-N 2.79Å; P130-C132 VanDerWaalsContact O-N 3.12Å; C132-F134 VanDerWaalsContact C-N 3.32Å; C132-S135 VanDerWaalsContact O-O 3.05Å
133F93.9Very high92.3Very high1 Ų146 Ų460%0.00424%0.237CC..G310 helixtrans-85.9-0.5174-62.1-77000113.6F11 L85 I88 L106 I114 L118 H119 P130 E131F11-F133 HydrophobicContact CE1-CE1 4.32Å; F11-F133 HydrophobicContact CE2-CE1 4.02Å; F11-F133 AromaticContact CZ-CE1 3.84Å; F11-F133 HydrophobicContact CZ-CE1 3.84Å; L85-F133 HydrophobicContact CD2-CD2 4.41Å; L85-F133 HydrophobicContact CD2-CE1 4.17Å; L85-F133 HydrophobicContact CD2-CE2 3.66Å; L85-F133 HydrophobicContact CD2-CZ 3.52Å; I88-F133 HydrophobicContact CG2-CZ 4.23Å; L106-F133 HydrophobicContact CD1-CD1 3.37Å; L106-F133 HydrophobicContact CD1-CE1 3.7Å; L106-F133 HydrophobicContact CD1-CG 4.14Å; I114-F133 HydrophobicContact CD1-CD1 4.29Å; L118-F133 HydrophobicContact CD2-CB 4.13Å; L118-F133 HydrophobicContact CD2-CD1 3.27Å; L118-F133 HydrophobicContact CD2-CE1 3.78Å; L118-F133 HydrophobicContact CD2-CG 3.78Å; H119-F133 PolarHBondContact NE2-O 2.8Å; P130-F133 HydrophobicContact CB-CD2 4.04Å; P130-F133 HydrophobicContact CB-CE2 4.27Å; P130-F133 HydrophobicContact CG-CD2 4.17Å; P130-F133 HydrophobicContact CG-CE2 4.12Å; P130-F133 PolarHBondContact O-N 2.81Å; E131-F133 PolarHBondContact O-N 3.31Å
134F94.3Very high92.1Very high45 Ų4547.3 Ų47.320%0.19724%0.241CC..G310 helixtrans-96.5-4.5174-66.1-95.1000113.4H119 L129 P130 E131 C132 T204 V205H119-F134 AromaticContact CE1-CD1 3.66Å; H119-F134 AromaticContact CE1-CE1 3.49Å; H119-F134 VanDerWaalsContact CE1-CE1 3.49Å; H119-F134 WeakPolarHBondContact CE1-CE1 3.46Å; H119-F134 AromaticContact CE1-CZ 3.9Å; L129-F134 HydrophobicContact CB-CE2 3.7Å; L129-F134 HydrophobicContact CB-CZ 4.06Å; L129-F134 WeakPolarHBondContact O-CE2 3.39Å; P130-F134 WeakPolarHBondContact O-CD2 3.48Å; E131-F134 WeakPolarHBondContact O-CB 3.46Å; E131-F134 PolarHBondContact O-N 3.02Å; C132-F134 VanDerWaalsContact C-N 3.32Å; F134-T204 CarbonylContact O-C 3.58Å; F134-T204 VanDerWaalsContact O-CA 3.3Å; F134-T204 WeakPolarHBondContact O-CA 3.36Å; F134-V205 HydrophobicContact CD1-CB 4.2Å; F134-V205 WeakPolarHBondContact CD1-O 3.49Å; F134-V205 PolarHBondContact O-N 3.07Å
135S93.3Very high91.9Very high41 Ų4146.8 Ų46.829%0.28724%0.239SC..EExtended strand (participates in β ladder)trans-144.1132.2169.6-1650000112.1C132 A202 E203C132-S135 VanDerWaalsContact O-O 3.05Å; S135-A202 WeakPolarHBondContact OG-CB 3.44Å; S135-E203 WeakPolarHBondContact CA-O 3.38Å; S135-E203 WeakPolarHBondContact CB-O 3.45Å; S135-E203 PolarHBondContact OG-O 3.2Å
136F94.9Very high91.6Very high0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-149161.2-173.865.1-93.6000110.5L106 V108 P111 I114 R115 A202 E203 V205L106-F136 HydrophobicContact CB-CB 4.02Å; L106-F136 CarbonylContact O-C 3.55Å; L106-F136 WeakPolarHBondContact O-CA 3.5Å; V108-F136 HydrophobicContact CG2-CB 4.5Å; V108-F136 HydrophobicContact CG2-CD2 3.45Å; V108-F136 VanDerWaalsContact CG2-CD2 3.45Å; V108-F136 HydrophobicContact CG2-CE2 3.94Å; V108-F136 HydrophobicContact CG2-CG 4.2Å; P111-F136 HydrophobicContact CB-CE2 4.17Å; P111-F136 HydrophobicContact CB-CZ 4.03Å; I114-F136 HydrophobicContact CB-CD1 4.04Å; I114-F136 HydrophobicContact CB-CE1 3.97Å; I114-F136 HydrophobicContact CG1-CD1 3.95Å; I114-F136 HydrophobicContact CG1-CE1 4.33Å; I114-F136 HydrophobicContact CG1-CG 4.14Å; I114-F136 HydrophobicContact CG2-CD1 3.77Å; I114-F136 HydrophobicContact CG2-CE1 3.79Å; R115-F136 HydrophobicContact CG-CE1 4.29Å; R115-F136 HydrophobicContact CG-CZ 4.12Å; F136-A202 CarbonylContact O-C 3.6Å; F136-A202 WeakPolarHBondContact O-CA 3.49Å; F136-E203 HydrophobicContact CD1-CB 4.48Å; F136-E203 HydrophobicContact CD2-CB 4.22Å; F136-E203 HydrophobicContact CE1-CB 4.11Å; F136-E203 HydrophobicContact CE2-CB 3.82Å; F136-E203 HydrophobicContact CE2-CG 4.19Å; F136-E203 HydrophobicContact CZ-CB 3.77Å; F136-E203 HydrophobicContact CZ-CG 4.34Å; F136-E203 WeakPolarHBondContact CZ-OE2 3.36Å; F136-E203 PolarHBondContact N-O 3.14Å; F136-E203 VanDerWaalsContact N-O 3.14Å; F136-E203 PolarHBondContact O-N 2.67Å; F136-V205 HydrophobicContact CE1-CG2 4.05Å
137V94.7Very high91.2Very high4 Ų439.8 Ų39.82%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-106.8131.5173.6-179.80000108.7T105 L106 L107 V108 E142 F199 A202T105-V137 HydrophobicContact CG2-CG2 3.92Å; L106-V137 PolarHBondContact O-N 2.83Å; L107-V137 WeakPolarHBondContact CA-O 3.21Å; L107-V137 HydrophobicContact CD1-CB 3.76Å; L107-V137 HydrophobicContact CD1-CG1 3.62Å; V108-V137 PolarHBondContact N-O 2.83Å; V137-E142 HydrophobicContact CG1-CG 3.36Å; V137-F199 HydrophobicContact CG1-CD1 4.02Å; V137-A202 HydrophobicContact CG2-CB 4.23Å
138D93.3Very high90.6Very high7 Ų741 Ų414%0.03722%0.217CC..EExtended strand (participates in β ladder)trans-88.6111.7170.8179.9-2.5000110G110 R140 K141 E142G110-D138 VanDerWaalsContact CA-OD1 3.28Å; G110-D138 WeakPolarHBondContact CA-OD1 3.23Å; G110-D138 PolarHBondContact N-OD1 2.89Å; G110-D138 VanDerWaalsContact N-OD1 3.08Å; D138-R140 PolarHBondContact O-N 3.36Å; D138-R140 VanDerWaalsContact O-N 3.17Å; D138-R140 WeakPolarHBondContact OD1-CB 3.48Å; D138-R140 PolarHBondContact OD1-N 2.9Å; D138-K141 HydrophobicContact CB-CB 4.19Å; D138-K141 HydrophobicContact CB-CD 3.98Å; D138-K141 HydrophobicContact CB-CG 4.14Å; D138-K141 PolarHBondContact O-N 3.11Å; D138-K141 VanDerWaalsContact O-N 3.1Å; D138-K141 WeakPolarHBondContact OD2-CD 3.42Å; D138-K141 WeakPolarHBondContact OD2-CE 3.25Å; D138-K141 WeakPolarHBondContact OD2-CG 3.49Å; D138-K141 IonicContact OD2-NZ 2.66Å; D138-E142 WeakPolarHBondContact O-CG 3.41Å; D138-E142 PolarHBondContact O-N 2.86Å; D138-E142 VanDerWaalsContact O-N 3.07Å
139L92.8Very high89.9Confident0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-55.7-31.9179.3-179.655.6000112.6L107 V108 F143 L158 M183 L186 I190L107-L139 HydrophobicContact CD1-CB 3.95Å; L107-L139 HydrophobicContact CD1-CD1 4.45Å; L107-L139 HydrophobicContact CD2-CD1 4.35Å; L107-L139 HydrophobicContact CG-CB 4.29Å; V108-L139 WeakPolarHBondContact O-CB 3.28Å; V108-L139 PolarHBondContact O-N 3.38Å; L139-F143 VanDerWaalsContact O-CB 3.25Å; L139-F143 WeakPolarHBondContact O-CB 3.07Å; L139-F143 PolarHBondContact O-N 2.97Å; L139-L158 HydrophobicContact CD2-CD1 4.48Å; L139-M183 HydrophobicContact CD2-CB 3.95Å; L139-M183 HydrophobicContact CD2-CE 4.38Å; L139-M183 HydrophobicContact CD2-CG 3.86Å; L139-L186 HydrophobicContact CD1-CD2 4.37Å; L139-L186 HydrophobicContact CD2-CD2 4.12Å; L139-L186 HydrophobicContact CG-CD2 4.21Å; L139-I190 HydrophobicContact CD1-CD1 4.15Å
140R90.5Very high89.1Confident52 Ų5239.4 Ų39.420%0.19620%0.204CC..Hα-helixtrans-70.5-39.8179.1-57.9-171.2-164.1-176.219111.8N109 D138 L144 L156 M161N109-R140 PolarHBondContact O-NE 2.82Å; N109-R140 PolarHBondContact O-NH2 2.95Å; N109-R140 PolarHBondContact OD1-NE 3.49Å; N109-R140 PolarHBondContact OD1-NH2 3Å; D138-R140 PolarHBondContact O-N 3.36Å; D138-R140 VanDerWaalsContact O-N 3.17Å; D138-R140 WeakPolarHBondContact OD1-CB 3.48Å; D138-R140 PolarHBondContact OD1-N 2.9Å; R140-L144 WeakPolarHBondContact O-CG 3.32Å; R140-L144 PolarHBondContact O-N 3.17Å; R140-L144 VanDerWaalsContact O-N 3.07Å; R140-L156 HydrophobicContact CB-CD2 4.17Å; R140-L156 PolarHBondContact NH1-O 3.46Å; R140-M161 HydrophobicContact CG-CE 3.95Å; R140-M161 HydrophobicContact CG-SD 4.31Å
141K90.8Very high87.8Confident55 Ų5542.4 Ų42.424%0.23923%0.225CC..Hα-helixtrans-73.5-30.8178.4-67.1174.7-166168.80112D138 K145 E203 E276D138-K141 HydrophobicContact CB-CB 4.19Å; D138-K141 HydrophobicContact CB-CD 3.98Å; D138-K141 HydrophobicContact CB-CG 4.14Å; D138-K141 PolarHBondContact O-N 3.11Å; D138-K141 VanDerWaalsContact O-N 3.1Å; D138-K141 WeakPolarHBondContact OD2-CD 3.42Å; D138-K141 WeakPolarHBondContact OD2-CE 3.25Å; D138-K141 WeakPolarHBondContact OD2-CG 3.49Å; D138-K141 IonicContact OD2-NZ 2.66Å; K141-K145 WeakPolarHBondContact O-CD 3.19Å; K141-K145 WeakPolarHBondContact O-CE 3.37Å; K141-K145 WeakPolarHBondContact O-CG 3.38Å; K141-E203 IonicContact NZ-OE1 2.71Å; K141-E203 PolarHBondContact NZ-OE1 2.95Å; K141-E203 IonicContact NZ-OE2 3.19Å; K141-E276 WeakPolarHBondContact CE-OE1 3.26Å; K141-E276 IonicContact NZ-OE1 2.71Å; K141-E276 PolarHBondContact NZ-OE1 3.15Å; K141-E276 IonicContact NZ-OE2 3.5Å; K141-E276 PolarHBondContact NZ-OE2 2.69Å
142E90.8Very high86.5Confident3 Ų338.7 Ų38.71%0.01422%0.219CC..Hα-helixtrans-73.7-43.4172.4-64.3-65.396.200111.6V137 D138 L144 K145 C146 H197 F199 C201V137-E142 HydrophobicContact CG1-CG 3.36Å; D138-E142 WeakPolarHBondContact O-CG 3.41Å; D138-E142 PolarHBondContact O-N 2.86Å; D138-E142 VanDerWaalsContact O-N 3.07Å; E142-L144 VanDerWaalsContact C-N 3.3Å; E142-L144 PolarHBondContact O-N 3.2Å; E142-K145 WeakPolarHBondContact O-CB 3.37Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 WeakPolarHBondContact OE1-CD 3.33Å; E142-K145 IonicContact OE1-NZ 2.63Å; E142-K145 PolarHBondContact OE1-NZ 3.08Å; E142-C146 PolarHBondContact O-N 2.88Å; E142-H197 IonicContact OE2-CD2 2.76Å; E142-H197 IonicContact OE2-CE1 3.88Å; E142-H197 IonicContact OE2-NE2 3.12Å; E142-H197 PolarHBondContact OE2-NE2 2.79Å; E142-F199 HydrophobicContact CB-CD1 4.16Å; E142-F199 HydrophobicContact CB-CE1 3.99Å; E142-F199 HydrophobicContact CG-CD1 3.84Å; E142-F199 HydrophobicContact CG-CE1 4.15Å; E142-F199 WeakPolarHBondContact OE2-CA 3.42Å; E142-C201 WeakPolarHBondContact OE1-CB 3.36Å
143F90.4Very high85.2Confident0 Ų040.2 Ų40.20%023%0.227CC..Hα-helixtrans-56.7-42.3173.8-177.2-95000112.2L139 K145 C146 C147 A150 L156 M161 Y164 V165 L186 I190L139-F143 VanDerWaalsContact O-CB 3.25Å; L139-F143 WeakPolarHBondContact O-CB 3.07Å; L139-F143 PolarHBondContact O-N 2.97Å; F143-K145 PolarHBondContact O-N 3.14Å; F143-C146 PolarHBondContact O-N 3.45Å; F143-C146 PolarHBondContact O-SG 2.87Å; F143-C147 HydrophobicContact CD1-CB 4.13Å; F143-C147 HydrophobicContact CE1-CB 3.78Å; F143-C147 HydrophobicContact CE2-CB 4.29Å; F143-C147 HydrophobicContact CZ-CB 3.87Å; F143-C147 WeakPolarHBondContact O-CA 3.21Å; F143-C147 VanDerWaalsContact O-CB 3.28Å; F143-C147 WeakPolarHBondContact O-CB 3.12Å; F143-C147 PolarHBondContact O-N 3.23Å; F143-A150 HydrophobicContact CD1-CB 4.48Å; F143-A150 HydrophobicContact CE1-CB 3.74Å; F143-L156 HydrophobicContact CD1-CD1 4.33Å; F143-L156 HydrophobicContact CD1-CD2 4.12Å; F143-L156 HydrophobicContact CE1-CD1 4.23Å; F143-M161 HydrophobicContact CB-SD 3.7Å; F143-M161 HydrophobicContact CD1-CB 4.36Å; F143-M161 HydrophobicContact CD1-CG 3.7Å; F143-M161 HydrophobicContact CD1-SD 3.67Å; F143-M161 HydrophobicContact CD2-CB 4.24Å; F143-M161 HydrophobicContact CD2-CG 4.36Å; F143-M161 HydrophobicContact CD2-SD 4.23Å; F143-M161 HydrophobicContact CE1-CB 4.12Å; F143-M161 HydrophobicContact CE1-CG 3.73Å; F143-M161 HydrophobicContact CE1-SD 4.34Å; F143-M161 HydrophobicContact CE2-CB 4.01Å; F143-M161 HydrophobicContact CE2-CG 4.39Å; F143-M161 HydrophobicContact CG-CB 4.39Å; F143-M161 HydrophobicContact CG-CG 4.01Å; F143-M161 HydrophobicContact CG-SD 3.59Å; F143-M161 VanDerWaalsContact CG-SD 3.59Å; F143-M161 HydrophobicContact CZ-CB 3.94Å; F143-M161 HydrophobicContact CZ-CG 4.08Å; F143-Y164 HydrophobicContact CE1-CD1 4.46Å; F143-Y164 AromaticContact CZ-CD1 3.71Å; F143-Y164 HydrophobicContact CZ-CD1 3.71Å; F143-Y164 HydrophobicContact CZ-CE1 4.43Å; F143-Y164 HydrophobicContact CZ-CG 4.18Å; F143-V165 HydrophobicContact CE2-CG2 3.66Å; F143-V165 HydrophobicContact CZ-CG2 4.13Å; F143-L186 HydrophobicContact CD2-CD1 3.99Å; F143-L186 HydrophobicContact CD2-CD2 4.3Å; F143-L186 HydrophobicContact CD2-CG 4.45Å; F143-L186 HydrophobicContact CE2-CD1 3.91Å; F143-I190 HydrophobicContact CD2-CG2 4.27Å
144L89.2Confident83.4Confident56 Ų5646.4 Ų46.429%0.29327%0.268SS..Hα-helixtrans-66.1-15.8175.8-72.6171.3000114.3R140 E142 P148 A150 L156R140-L144 WeakPolarHBondContact O-CG 3.32Å; R140-L144 PolarHBondContact O-N 3.17Å; R140-L144 VanDerWaalsContact O-N 3.07Å; E142-L144 VanDerWaalsContact C-N 3.3Å; E142-L144 PolarHBondContact O-N 3.2Å; L144-P148 WeakPolarHBondContact O-CA 3.48Å; L144-A150 HydrophobicContact CD2-CB 4.32Å; L144-L156 HydrophobicContact CD1-CD2 3.98Å; L144-L156 HydrophobicContact CD2-CD2 3.94Å; L144-L156 HydrophobicContact CG-CD2 3.71Å
145K87.7Confident82.1Confident104 Ų10452.5 Ų52.545%0.45229%0.294SS..Hα-helixtrans-84.4-36.8175.6-68162.3-163.4167.60112.2K141 E142 F143 C201K141-K145 WeakPolarHBondContact O-CD 3.19Å; K141-K145 WeakPolarHBondContact O-CE 3.37Å; K141-K145 WeakPolarHBondContact O-CG 3.38Å; E142-K145 WeakPolarHBondContact O-CB 3.37Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 WeakPolarHBondContact OE1-CD 3.33Å; E142-K145 IonicContact OE1-NZ 2.63Å; E142-K145 PolarHBondContact OE1-NZ 3.08Å; F143-K145 PolarHBondContact O-N 3.14Å; K145-C201 PolarHBondContact NZ-SG 3.33Å
146C86.1Confident81.5Confident27 Ų2751.8 Ų51.818%0.18229%0.287CS..Hα-helixtrans-83.6-27.1172.564.20000113E142 F143 P148 Y195 H197E142-C146 PolarHBondContact O-N 2.88Å; F143-C146 PolarHBondContact O-N 3.45Å; F143-C146 PolarHBondContact O-SG 2.87Å; C146-P148 VanDerWaalsContact C-CD 3.42Å; C146-P148 WeakPolarHBondContact O-CD 3.49Å; C146-Y195 HydrophobicContact CB-CD1 4.16Å; C146-H197 HydrophobicContact CB-CB 4.09Å
147C84.9Confident81.1Confident3 Ų354.7 Ų54.72%0.0231%0.305CS..  trans-12260-177.9-61.80000112.5F143 N149 A150 Y164 Y195F143-C147 HydrophobicContact CD1-CB 4.13Å; F143-C147 HydrophobicContact CE1-CB 3.78Å; F143-C147 HydrophobicContact CE2-CB 4.29Å; F143-C147 HydrophobicContact CZ-CB 3.87Å; F143-C147 WeakPolarHBondContact O-CA 3.21Å; F143-C147 VanDerWaalsContact O-CB 3.28Å; F143-C147 WeakPolarHBondContact O-CB 3.12Å; F143-C147 PolarHBondContact O-N 3.23Å; C147-N149 PolarHBondContact O-N 3.42Å; C147-N149 VanDerWaalsContact O-N 3.09Å; C147-A150 HydrophobicContact CB-CB 4.3Å; C147-A150 VanDerWaalsContact O-CB 3.3Å; C147-A150 WeakPolarHBondContact O-CB 3.39Å; C147-A150 PolarHBondContact O-N 2.72Å; C147-Y164 HydrophobicContact CB-CD1 4.47Å; C147-Y164 HydrophobicContact CB-CE1 3.87Å; C147-Y195 WeakPolarHBondContact SG-CE1 3.34Å
148P80.3Confident80.8Confident76 Ų7654.8 Ų54.849%0.49431%0.305SS..G310 helixtrans-59.1-28.6-174.123.1-34.4000114.1L144 C146 A150 S151L144-P148 WeakPolarHBondContact O-CA 3.48Å; C146-P148 VanDerWaalsContact C-CD 3.42Å; C146-P148 WeakPolarHBondContact O-CD 3.49Å; P148-A150 PolarHBondContact O-N 3.34Å; P148-S151 VanDerWaalsContact O-CB 3.27Å; P148-S151 WeakPolarHBondContact O-CB 3.36Å; P148-S151 PolarHBondContact O-N 3.4Å; P148-S151 VanDerWaalsContact O-N 3.15Å; P148-S151 PolarHBondContact O-OG 3.01Å
149N78.3Confident80.5Confident126 Ų12657.7 Ų57.767%0.67433%0.326SS*.G310 helixtrans-63.7-24.3176.7-64.4-14.8000113.2C147 S151 S152C147-N149 PolarHBondContact O-N 3.42Å; C147-N149 VanDerWaalsContact O-N 3.09Å; N149-S151 PolarHBondContact O-N 2.86Å; N149-S152 PolarHBondContact O-N 2.86Å; N149-S152 PolarHBondContact O-OG 3.27Å
150A75.3Confident80.3Confident1 Ų159 Ų591%0.00834%0.335CS..G310 helixtrans-69-11.8176.500000113.3F143 L144 C147 P148 S152 V153 L156 Y164F143-A150 HydrophobicContact CD1-CB 4.48Å; F143-A150 HydrophobicContact CE1-CB 3.74Å; L144-A150 HydrophobicContact CD2-CB 4.32Å; C147-A150 HydrophobicContact CB-CB 4.3Å; C147-A150 VanDerWaalsContact O-CB 3.3Å; C147-A150 WeakPolarHBondContact O-CB 3.39Å; C147-A150 PolarHBondContact O-N 2.72Å; P148-A150 PolarHBondContact O-N 3.34Å; A150-S152 PolarHBondContact O-N 3.06Å; A150-V153 PolarHBondContact O-N 3.22Å; A150-L156 HydrophobicContact CB-CD1 4.44Å; A150-Y164 HydrophobicContact CB-CD2 4.28Å; A150-Y164 HydrophobicContact CB-CE2 4.13Å
151S64.3Low80.3Confident84 Ų8456.5 Ų56.559%0.58733%0.325SS*.G310 helixtrans-58.9-13.4172.9-49.80000114P148 N149 V153P148-S151 VanDerWaalsContact O-CB 3.27Å; P148-S151 WeakPolarHBondContact O-CB 3.36Å; P148-S151 PolarHBondContact O-N 3.4Å; P148-S151 VanDerWaalsContact O-N 3.15Å; P148-S151 PolarHBondContact O-OG 3.01Å; N149-S151 PolarHBondContact O-N 2.86Å; S151-V153 VanDerWaalsContact C-N 3.33Å
152S61.1Low80.3Confident100 Ų10054.2 Ų54.270%0.69932%0.316SS*.G310 helixtrans-76.7-1417556.20000114.1N149 A150N149-S152 PolarHBondContact O-N 2.86Å; N149-S152 PolarHBondContact O-OG 3.27Å; A150-S152 PolarHBondContact O-N 3.06Å
153V62.5Low80.2Confident59 Ų5959.6 Ų59.636%0.35835%0.345SS..SBendtrans-81.8119.5-179.1-177.30000110A150 S151 K155A150-V153 PolarHBondContact O-N 3.22Å; S151-V153 VanDerWaalsContact C-N 3.33Å; V153-K155 PolarHBondContact O-N 2.88Å
154P55.2Low80Confident132 Ų13264.4 Ų64.486%0.85736%0.363SS*.SBendtrans-69.6-9.9-169.326.4-35.4000115.2
155K68Low80Confident173 Ų17363.1 Ų63.175%0.75236%0.358SS*.SBendtrans-147107.6164.7-88.9-173.2174.9178.10109.5V153 T157V153-K155 PolarHBondContact O-N 2.88Å; K155-T157 PolarHBondContact O-N 3.16Å; K155-T157 VanDerWaalsContact O-N 3.16Å
156L80.3Confident79.9Confident26 Ų2661.3 Ų61.314%0.13637%0.369CS..  trans-75.8101172.9-162.572000110R140 F143 L144 A150 M161R140-L156 HydrophobicContact CB-CD2 4.17Å; R140-L156 PolarHBondContact NH1-O 3.46Å; F143-L156 HydrophobicContact CD1-CD1 4.33Å; F143-L156 HydrophobicContact CD1-CD2 4.12Å; F143-L156 HydrophobicContact CE1-CD1 4.23Å; L144-L156 HydrophobicContact CD1-CD2 3.98Å; L144-L156 HydrophobicContact CD2-CD2 3.94Å; L144-L156 HydrophobicContact CG-CD2 3.71Å; A150-L156 HydrophobicContact CB-CD1 4.44Å; L156-M161 HydrophobicContact CD1-CG 3.67Å; L156-M161 HydrophobicContact CD1-SD 4.36Å; L156-M161 HydrophobicContact CD2-CG 4.18Å; L156-M161 HydrophobicContact CD2-SD 3.75Å; L156-M161 HydrophobicContact CG-CG 3.72Å; L156-M161 HydrophobicContact CG-SD 3.84Å
157T86.8Confident80Confident61 Ų6162 Ų6237%0.37437%0.37SS..  trans-101.6161.517366.40000110.5K155 S159 S160 M161K155-T157 PolarHBondContact O-N 3.16Å; K155-T157 VanDerWaalsContact O-N 3.16Å; T157-S159 VanDerWaalsContact C-N 3.34Å; T157-S159 PolarHBondContact O-N 2.92Å; T157-S160 PolarHBondContact N-OG 2.89Å; T157-S160 PolarHBondContact O-N 3.43Å; T157-S160 VanDerWaalsContact O-N 3.15Å; T157-S160 PolarHBondContact O-OG 3.36Å; T157-S160 PolarHBondContact OG1-N 2.83Å; T157-S160 PolarHBondContact OG1-OG 3.27Å; T157-M161 WeakPolarHBondContact O-CG 3.06Å; T157-M161 PolarHBondContact O-N 2.84Å; T157-M161 VanDerWaalsContact O-N 3.11Å
158L88.1Confident80Confident5 Ų566.1 Ų66.13%0.02640%0.397CS..Hα-helixtrans-58.9-45178.9-174.455.6000111.9L139 S160 M161 L162 M183 L186L139-L158 HydrophobicContact CD2-CD1 4.48Å; L158-S160 PolarHBondContact O-N 3.26Å; L158-M161 HydrophobicContact CB-CE 4.45Å; L158-M161 HydrophobicContact CD1-CE 3.81Å; L158-M161 PolarHBondContact O-N 3.47Å; L158-M161 VanDerWaalsContact O-N 3.07Å; L158-L162 PolarHBondContact O-N 2.93Å; L158-M183 HydrophobicContact CD1-CG 4.41Å; L158-M183 HydrophobicContact CD2-CG 3.86Å; L158-L186 HydrophobicContact CD1-CD2 3.87Å
159S88.3Confident79.9Confident69 Ų6966.5 Ų66.548%0.48341%0.407SS..Hα-helixtrans-52.8-50.4172.5-42.80000111.9T157 M161 L162 D163T157-S159 VanDerWaalsContact C-N 3.34Å; T157-S159 PolarHBondContact O-N 2.92Å; S159-M161 PolarHBondContact O-N 3.13Å; S159-M161 VanDerWaalsContact O-N 3.16Å; S159-L162 WeakPolarHBondContact O-CB 3.37Å; S159-L162 PolarHBondContact O-N 3.46Å; S159-D163 PolarHBondContact O-N 3.44Å; S159-D163 VanDerWaalsContact O-OD2 3.11Å
160S88.1Confident79.9Confident26 Ų2662.7 Ų62.718%0.18239%0.385CS..Hα-helixtrans-63.7-24.318069.10000114.2T157 L158 Y164T157-S160 PolarHBondContact N-OG 2.89Å; T157-S160 PolarHBondContact O-N 3.43Å; T157-S160 VanDerWaalsContact O-N 3.15Å; T157-S160 PolarHBondContact O-OG 3.36Å; T157-S160 PolarHBondContact OG1-N 2.83Å; T157-S160 PolarHBondContact OG1-OG 3.27Å; L158-S160 PolarHBondContact O-N 3.26Å; S160-Y164 VanDerWaalsContact O-CB 3.3Å; S160-Y164 WeakPolarHBondContact O-CB 3.34Å; S160-Y164 PolarHBondContact O-N 2.99Å
161M90.3Very high79.9Confident0 Ų068.4 Ų68.40%043%0.425CS..Hα-helixtrans-79-37.5173.4-64.2-173.2-6400111.8R140 F143 L156 T157 L158 S159 V165 L186R140-M161 HydrophobicContact CG-CE 3.95Å; R140-M161 HydrophobicContact CG-SD 4.31Å; F143-M161 HydrophobicContact CB-SD 3.7Å; F143-M161 HydrophobicContact CD1-CB 4.36Å; F143-M161 HydrophobicContact CD1-CG 3.7Å; F143-M161 HydrophobicContact CD1-SD 3.67Å; F143-M161 HydrophobicContact CD2-CB 4.24Å; F143-M161 HydrophobicContact CD2-CG 4.36Å; F143-M161 HydrophobicContact CD2-SD 4.23Å; F143-M161 HydrophobicContact CE1-CB 4.12Å; F143-M161 HydrophobicContact CE1-CG 3.73Å; F143-M161 HydrophobicContact CE1-SD 4.34Å; F143-M161 HydrophobicContact CE2-CB 4.01Å; F143-M161 HydrophobicContact CE2-CG 4.39Å; F143-M161 HydrophobicContact CG-CB 4.39Å; F143-M161 HydrophobicContact CG-CG 4.01Å; F143-M161 HydrophobicContact CG-SD 3.59Å; F143-M161 VanDerWaalsContact CG-SD 3.59Å; F143-M161 HydrophobicContact CZ-CB 3.94Å; F143-M161 HydrophobicContact CZ-CG 4.08Å; L156-M161 HydrophobicContact CD1-CG 3.67Å; L156-M161 HydrophobicContact CD1-SD 4.36Å; L156-M161 HydrophobicContact CD2-CG 4.18Å; L156-M161 HydrophobicContact CD2-SD 3.75Å; L156-M161 HydrophobicContact CG-CG 3.72Å; L156-M161 HydrophobicContact CG-SD 3.84Å; T157-M161 WeakPolarHBondContact O-CG 3.06Å; T157-M161 PolarHBondContact O-N 2.84Å; T157-M161 VanDerWaalsContact O-N 3.11Å; L158-M161 HydrophobicContact CB-CE 4.45Å; L158-M161 HydrophobicContact CD1-CE 3.81Å; L158-M161 PolarHBondContact O-N 3.47Å; L158-M161 VanDerWaalsContact O-N 3.07Å; S159-M161 PolarHBondContact O-N 3.13Å; S159-M161 VanDerWaalsContact O-N 3.16Å; M161-V165 WeakPolarHBondContact O-CG2 3.37Å; M161-V165 PolarHBondContact O-N 2.87Å; M161-L186 HydrophobicContact CB-CD1 4.37Å; M161-L186 HydrophobicContact CB-CD2 3.61Å; M161-L186 HydrophobicContact CE-CD2 3.77Å; M161-L186 HydrophobicContact CG-CD2 4.42Å; M161-L186 HydrophobicContact SD-CD2 4.08Å
162L90.3Very high80.6Confident7 Ų768.2 Ų68.24%0.03742%0.415CS..Hα-helixtrans-63.7-49.4171.4-62.7176.7000110.9L158 S159 Y164 V165 G166 L167 L186L158-L162 PolarHBondContact O-N 2.93Å; S159-L162 WeakPolarHBondContact O-CB 3.37Å; S159-L162 PolarHBondContact O-N 3.46Å; L162-Y164 VanDerWaalsContact C-N 3.3Å; L162-Y164 PolarHBondContact O-N 3.2Å; L162-V165 CarbonylContact O-C 3.56Å; L162-V165 PolarHBondContact O-N 2.72Å; L162-V165 VanDerWaalsContact O-N 3.07Å; L162-G166 PolarHBondContact O-N 2.8Å; L162-L167 HydrophobicContact CB-CB 4.13Å; L162-L167 HydrophobicContact CD2-CB 3.85Å; L162-L167 HydrophobicContact CD2-CD1 3.68Å; L162-L167 HydrophobicContact CD2-CG 4.43Å; L162-L167 PolarHBondContact O-N 3.26Å; L162-L186 HydrophobicContact CD2-CB 4.13Å
163D88.8Confident81.2Confident116 Ų11672 Ų7262%0.6242%0.421SS*.Hα-helixtrans-57.2-42.2179.7-64.4-36.1000111.6S159 V165 G166S159-D163 PolarHBondContact O-N 3.44Å; S159-D163 VanDerWaalsContact O-OD2 3.11Å; D163-V165 VanDerWaalsContact C-N 3.29Å; D163-V165 PolarHBondContact O-N 3.1Å; D163-G166 PolarHBondContact O-N 3.43Å
164Y86.8Confident82Confident101 Ų10173.3 Ų73.340%0.39643%0.425SS..Hα-helixtrans-64.6-31.3178.3-177.3-84.2000113.1F143 C147 A150 S160 L162F143-Y164 HydrophobicContact CE1-CD1 4.46Å; F143-Y164 AromaticContact CZ-CD1 3.71Å; F143-Y164 HydrophobicContact CZ-CD1 3.71Å; F143-Y164 HydrophobicContact CZ-CE1 4.43Å; F143-Y164 HydrophobicContact CZ-CG 4.18Å; C147-Y164 HydrophobicContact CB-CD1 4.47Å; C147-Y164 HydrophobicContact CB-CE1 3.87Å; A150-Y164 HydrophobicContact CB-CD2 4.28Å; A150-Y164 HydrophobicContact CB-CE2 4.13Å; S160-Y164 VanDerWaalsContact O-CB 3.3Å; S160-Y164 WeakPolarHBondContact O-CB 3.34Å; S160-Y164 PolarHBondContact O-N 2.99Å; L162-Y164 VanDerWaalsContact C-N 3.3Å; L162-Y164 PolarHBondContact O-N 3.2Å
165V87.9Confident83.4Confident30 Ų3068.8 Ų68.818%0.18239%0.393CS..Hα-helixtrans-92.7-11.9179.2-179.10000111.8F143 M161 L162 D163 L167 L186 C189 Y195F143-V165 HydrophobicContact CE2-CG2 3.66Å; F143-V165 HydrophobicContact CZ-CG2 4.13Å; M161-V165 WeakPolarHBondContact O-CG2 3.37Å; M161-V165 PolarHBondContact O-N 2.87Å; L162-V165 CarbonylContact O-C 3.56Å; L162-V165 PolarHBondContact O-N 2.72Å; L162-V165 VanDerWaalsContact O-N 3.07Å; D163-V165 VanDerWaalsContact C-N 3.29Å; D163-V165 PolarHBondContact O-N 3.1Å; V165-L167 HydrophobicContact CB-CD1 4.5Å; V165-L167 HydrophobicContact CB-CG 4.4Å; V165-L167 HydrophobicContact CG1-CD1 4.22Å; V165-L167 HydrophobicContact CG1-CG 4.08Å; V165-L186 HydrophobicContact CG2-CD1 4.16Å; V165-C189 HydrophobicContact CG1-CB 4.39Å; V165-C189 WeakPolarHBondContact CG1-SG 3.41Å; V165-Y195 HydrophobicContact CG1-CE2 4.17Å; V165-Y195 HydrophobicContact CG2-CE2 4.47Å
166G85.8Confident84.2Confident66 Ų6660.6 Ų60.668%0.6836%0.358SS*.THydrogen-bonded Turntrans7822-176.200000114L162 D163L162-G166 PolarHBondContact O-N 2.8Å; D163-G166 PolarHBondContact O-N 3.43Å
167L87.9Confident84.7Confident40 Ų4060.1 Ų60.121%0.20936%0.356CS..PPolyproline II helixtrans-77.4141.9174.6-70.6171.6000110.7L162 V165 Q185 L186 C189L162-L167 HydrophobicContact CB-CB 4.13Å; L162-L167 HydrophobicContact CD2-CB 3.85Å; L162-L167 HydrophobicContact CD2-CD1 3.68Å; L162-L167 HydrophobicContact CD2-CG 4.43Å; L162-L167 PolarHBondContact O-N 3.26Å; V165-L167 HydrophobicContact CB-CD1 4.5Å; V165-L167 HydrophobicContact CB-CG 4.4Å; V165-L167 HydrophobicContact CG1-CD1 4.22Å; V165-L167 HydrophobicContact CG1-CG 4.08Å; L167-Q185 HydrophobicContact CD1-CB 4.47Å; L167-L186 HydrophobicContact CD1-CD1 4.27Å; L167-C189 HydrophobicContact CD1-CB 3.98Å; L167-C189 HydrophobicContact CD2-CB 4.43Å
168P85.6Confident84.9Confident90 Ų9061 Ų6158%0.58435%0.352SS*.PPolyproline II helixtrans-68.3148.7178.530-35.3000111.4E170P168-E170 PolarHBondContact O-N 2.82Å
169A77.7Confident85.1Confident85 Ų8562.8 Ų62.870%0.70236%0.361SS*.PPolyproline II helixtrans-73.1125.3171.300000110.8S171A169-S171 PolarHBondContact O-N 3.46Å
170E79.1Confident85.4Confident46 Ų4659.5 Ų59.522%0.21534%0.338CS..PPolyproline II helixtrans-59.5126.3175.7-79.7-73.1103.300111.8P168 E172 R178 N181 Q185P168-E170 PolarHBondContact O-N 2.82Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 3.29Å; E170-R178 HydrophobicContact CB-CG 3.72Å; E170-R178 WeakPolarHBondContact O-CD 3.36Å; E170-N181 HydrophobicContact CG-CB 3.9Å; E170-N181 WeakPolarHBondContact OE2-CB 3.2Å; E170-N181 PolarHBondContact OE2-ND2 3.08Å; E170-Q185 VanDerWaalsContact CD-NE2 3.33Å; E170-Q185 PolarHBondContact OE1-NE2 3.05Å
171S75.1Confident85.6Confident121 Ų12160 Ų6085%0.84634%0.338SS*.  trans-83.81.6-177.955.80000114.5A169A169-S171 PolarHBondContact O-N 3.46Å
172E79.5Confident85.8Confident79 Ų7960.3 Ų60.337%0.36934%0.34SS..  trans-61.5135.3-177.8179.954.7-103.500112E170 M174 V177 R178E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 3.29Å; E172-M174 PolarHBondContact OE1-N 2.74Å; E172-V177 HydrophobicContact CG-CB 3.82Å; E172-V177 HydrophobicContact CG-CG1 3.77Å; E172-R178 HydrophobicContact CB-CB 4.11Å; E172-R178 WeakPolarHBondContact O-CD 3.1Å; E172-R178 PolarHBondContact O-NH1 3.41Å
173Q72.2Confident86Confident180 Ų18060 Ų6084%0.84134%0.339SS*.SBendtrans-77.6-37.4-169-156.3167.312.200111.4R178Q173-R178 PolarHBondContact O-NH1 3.26Å
174M81.1Confident86.3Confident87 Ų8754.8 Ų54.843%0.42931%0.311SS..SBendtrans-80.2121.2176.9-65.9-169-175.600112.4K50 E172 G176 V177 R178K50-M174 PolarHBondContact NZ-SD 2.8Å; E172-M174 PolarHBondContact OE1-N 2.74Å; M174-G176 VanDerWaalsContact C-N 3.33Å; M174-G176 PolarHBondContact O-N 2.85Å; M174-V177 HydrophobicContact CB-CG2 4.46Å; M174-V177 PolarHBondContact O-N 3.39Å; M174-V177 VanDerWaalsContact O-N 3.17Å; M174-R178 PolarHBondContact O-N 3.4Å
175I84.1Confident86.6Confident36 Ų3652.6 Ų52.619%0.18531%0.305CS..Hα-helixtrans-54.2-42.6-175.2-166.4164.4000114E67 T68 V177 R178 E179E67-I175 HydrophobicContact CB-CD1 4.43Å; E67-I175 VanDerWaalsContact O-CB 3.31Å; E67-I175 WeakPolarHBondContact O-CB 3.22Å; E67-I175 WeakPolarHBondContact O-CG2 3.44Å; T68-I175 HydrophobicContact CG2-CG2 4.31Å; I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 PolarHBondContact O-N 2.84Å; I175-R178 PolarHBondContact O-N 3.43Å; I175-E179 HydrophobicContact CG1-CG 4.23Å; I175-E179 WeakPolarHBondContact O-CB 3.41Å; I175-E179 WeakPolarHBondContact O-CG 3.32Å; I175-E179 PolarHBondContact O-N 3.02Å
176G85.5Confident86.9Confident2 Ų251.1 Ų51.12%0.02130%0.296CS..Hα-helixtrans-71.3-27.6-175.500000113.9M174 A180M174-G176 VanDerWaalsContact C-N 3.33Å; M174-G176 PolarHBondContact O-N 2.85Å; G176-A180 VanDerWaalsContact O-CB 3.3Å; G176-A180 WeakPolarHBondContact O-CB 3.47Å; G176-A180 PolarHBondContact O-N 3.06Å
177V90.3Very high87.2Confident16 Ų1648 Ų4810%0.09726%0.264CS..Hα-helixtrans-79.4-44.7172-179.50000109.9L48 E172 M174 I175 E179 A180 N181L48-V177 HydrophobicContact CD2-CB 4.39Å; L48-V177 HydrophobicContact CD2-CG1 3.47Å; L48-V177 VanDerWaalsContact CD2-CG1 3.47Å; L48-V177 HydrophobicContact CD2-CG2 4.12Å; E172-V177 HydrophobicContact CG-CB 3.82Å; E172-V177 HydrophobicContact CG-CG1 3.77Å; M174-V177 HydrophobicContact CB-CG2 4.46Å; M174-V177 PolarHBondContact O-N 3.39Å; M174-V177 VanDerWaalsContact O-N 3.17Å; I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 PolarHBondContact O-N 2.84Å; V177-E179 VanDerWaalsContact C-N 3.33Å; V177-E179 PolarHBondContact O-N 3.18Å; V177-A180 PolarHBondContact O-N 3.38Å; V177-A180 VanDerWaalsContact O-N 3.17Å; V177-N181 WeakPolarHBondContact O-CB 3.37Å; V177-N181 PolarHBondContact O-N 3.3Å; V177-N181 PolarHBondContact O-OD1 2.83Å
178R91.6Very high87.4Confident79 Ų7948.3 Ų48.330%0.29827%0.265SS..Hα-helixtrans-55.2-46.3176.2-173174.857.1-113.24.7112.3E170 E172 Q173 M174 I175 S182E170-R178 HydrophobicContact CB-CG 3.72Å; E170-R178 WeakPolarHBondContact O-CD 3.36Å; E172-R178 HydrophobicContact CB-CB 4.11Å; E172-R178 WeakPolarHBondContact O-CD 3.1Å; E172-R178 PolarHBondContact O-NH1 3.41Å; Q173-R178 PolarHBondContact O-NH1 3.26Å; M174-R178 PolarHBondContact O-N 3.4Å; I175-R178 PolarHBondContact O-N 3.43Å; R178-S182 WeakPolarHBondContact O-CB 3.48Å; R178-S182 PolarHBondContact O-N 3.18Å; R178-S182 PolarHBondContact O-OG 2.8Å
179E91.8Very high87.7Confident42 Ų4245.6 Ų45.620%0.19625%0.248CC..Hα-helixtrans-64.6-46.5174.9-77.7-85.9135.500111.7F12 N109 I175 V177 S182 M183F12-E179 HydrophobicContact CD2-CB 3.53Å; F12-E179 HydrophobicContact CD2-CG 4.06Å; F12-E179 HydrophobicContact CE2-CB 3.67Å; F12-E179 HydrophobicContact CE2-CG 3.67Å; F12-E179 HydrophobicContact CG-CB 4.28Å; F12-E179 HydrophobicContact CZ-CG 4.45Å; N109-E179 PolarHBondContact ND2-OE2 3.35Å; I175-E179 HydrophobicContact CG1-CG 4.23Å; I175-E179 WeakPolarHBondContact O-CB 3.41Å; I175-E179 WeakPolarHBondContact O-CG 3.32Å; I175-E179 PolarHBondContact O-N 3.02Å; V177-E179 VanDerWaalsContact C-N 3.33Å; V177-E179 PolarHBondContact O-N 3.18Å; E179-S182 WeakPolarHBondContact O-CB 3.41Å; E179-S182 PolarHBondContact O-N 2.69Å; E179-M183 WeakPolarHBondContact O-CB 3.36Å; E179-M183 VanDerWaalsContact O-CG 3.26Å; E179-M183 WeakPolarHBondContact O-CG 3.16Å; E179-M183 PolarHBondContact O-N 2.87Å
180A93.8Very high88.3Confident0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-62.1-46.717900000112.5V10 V34 L48 G176 V177 S182 M183 V184V10-A180 HydrophobicContact CG1-CB 4.24Å; V34-A180 HydrophobicContact CG1-CB 3.69Å; L48-A180 HydrophobicContact CD1-CB 4.27Å; G176-A180 VanDerWaalsContact O-CB 3.3Å; G176-A180 WeakPolarHBondContact O-CB 3.47Å; G176-A180 PolarHBondContact O-N 3.06Å; V177-A180 PolarHBondContact O-N 3.38Å; V177-A180 VanDerWaalsContact O-N 3.17Å; A180-S182 PolarHBondContact O-N 2.91Å; A180-M183 WeakPolarHBondContact O-CB 3.39Å; A180-M183 PolarHBondContact O-N 2.88Å; A180-V184 WeakPolarHBondContact O-CG2 3.28Å; A180-V184 PolarHBondContact O-N 3.46Å
181N93.7Very high88.8Confident36 Ų3640.1 Ų40.119%0.19321%0.208CC..Hα-helixtrans-59.6-46.2174.6-70.44.3000111.3E170 V177 M183 V184 Q185E170-N181 HydrophobicContact CG-CB 3.9Å; E170-N181 WeakPolarHBondContact OE2-CB 3.2Å; E170-N181 PolarHBondContact OE2-ND2 3.08Å; V177-N181 WeakPolarHBondContact O-CB 3.37Å; V177-N181 PolarHBondContact O-N 3.3Å; V177-N181 PolarHBondContact O-OD1 2.83Å; N181-M183 VanDerWaalsContact C-N 3.33Å; N181-M183 PolarHBondContact O-N 3.2Å; N181-V184 PolarHBondContact O-N 2.86Å; N181-V184 VanDerWaalsContact O-N 3.15Å; N181-Q185 WeakPolarHBondContact O-CG 3.44Å; N181-Q185 PolarHBondContact O-N 2.7Å
182S94.1Very high89.5Confident7 Ų738.3 Ų38.35%0.04919%0.189CC..Hα-helixtrans-60-41177.3-660000112.2R178 E179 A180 L186R178-S182 WeakPolarHBondContact O-CB 3.48Å; R178-S182 PolarHBondContact O-N 3.18Å; R178-S182 PolarHBondContact O-OG 2.8Å; E179-S182 WeakPolarHBondContact O-CB 3.41Å; E179-S182 PolarHBondContact O-N 2.69Å; A180-S182 PolarHBondContact O-N 2.91Å; S182-L186 WeakPolarHBondContact O-CB 3.37Å; S182-L186 PolarHBondContact O-N 3.37Å
183M94.6Very high89.5Confident0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-63.9-44173.2-71.8173.266.900111.7V10 L107 N109 L139 L158 E179 A180 N181 T187V10-M183 HydrophobicContact CG1-CB 3.81Å; V10-M183 HydrophobicContact CG1-CE 3.94Å; V10-M183 HydrophobicContact CG1-SD 4.07Å; V10-M183 HydrophobicContact CG2-CB 4.27Å; L107-M183 VanDerWaalsContact O-CE 3.24Å; L107-M183 WeakPolarHBondContact O-CE 3.5Å; N109-M183 HydrophobicContact CB-CE 4.15Å; N109-M183 HydrophobicContact CB-CG 4.28Å; N109-M183 HydrophobicContact CB-SD 3.74Å; L139-M183 HydrophobicContact CD2-CB 3.95Å; L139-M183 HydrophobicContact CD2-CE 4.38Å; L139-M183 HydrophobicContact CD2-CG 3.86Å; L158-M183 HydrophobicContact CD1-CG 4.41Å; L158-M183 HydrophobicContact CD2-CG 3.86Å; E179-M183 WeakPolarHBondContact O-CB 3.36Å; E179-M183 VanDerWaalsContact O-CG 3.26Å; E179-M183 WeakPolarHBondContact O-CG 3.16Å; E179-M183 PolarHBondContact O-N 2.87Å; A180-M183 WeakPolarHBondContact O-CB 3.39Å; A180-M183 PolarHBondContact O-N 2.88Å; N181-M183 VanDerWaalsContact C-N 3.33Å; N181-M183 PolarHBondContact O-N 3.2Å; M183-T187 VanDerWaalsContact O-CB 3.26Å; M183-T187 WeakPolarHBondContact O-CB 3.34Å; M183-T187 PolarHBondContact O-N 3.07Å; M183-T187 PolarHBondContact O-OG1 3.22Å
184V94.8Very high90Very high8 Ų837.2 Ų37.25%0.04819%0.193CC..Hα-helixtrans-61.4-47.5176.7169.40000111.1V10 Q36 V38 V45 A180 N181 T187 L188V10-V184 HydrophobicContact CB-CG2 4.07Å; V10-V184 HydrophobicContact CG1-CG2 4.22Å; V10-V184 HydrophobicContact CG2-CG2 3.75Å; Q36-V184 HydrophobicContact CB-CG2 4.36Å; Q36-V184 HydrophobicContact CG-CG2 4.47Å; V38-V184 HydrophobicContact CG2-CG1 4.21Å; V38-V184 HydrophobicContact CG2-CG2 4.07Å; V45-V184 HydrophobicContact CB-CG1 4.41Å; V45-V184 HydrophobicContact CG1-CG1 3.83Å; V45-V184 HydrophobicContact CG1-CG2 4.45Å; V45-V184 HydrophobicContact CG2-CG1 3.6Å; A180-V184 WeakPolarHBondContact O-CG2 3.28Å; A180-V184 PolarHBondContact O-N 3.46Å; N181-V184 PolarHBondContact O-N 2.86Å; N181-V184 VanDerWaalsContact O-N 3.15Å; V184-T187 WeakPolarHBondContact O-CB 3.46Å; V184-T187 PolarHBondContact O-N 3.11Å; V184-L188 HydrophobicContact CG1-CD1 4.01Å; V184-L188 HydrophobicContact CG1-CG 4.38Å; V184-L188 WeakPolarHBondContact O-CG 3.36Å; V184-L188 PolarHBondContact O-N 3.17Å
185Q93.4Very high90.2Very high54 Ų5436.2 Ų36.225%0.25219%0.185SC..Hα-helixtrans-60.3-47.9178.7-73.4174.5-2.100111.9L167 E170 N181 T187 L188 C189L167-Q185 HydrophobicContact CD1-CB 4.47Å; E170-Q185 VanDerWaalsContact CD-NE2 3.33Å; E170-Q185 PolarHBondContact OE1-NE2 3.05Å; N181-Q185 WeakPolarHBondContact O-CG 3.44Å; N181-Q185 PolarHBondContact O-N 2.7Å; Q185-T187 VanDerWaalsContact C-N 3.31Å; Q185-T187 PolarHBondContact O-N 3.16Å; Q185-L188 PolarHBondContact O-N 3.08Å; Q185-C189 WeakPolarHBondContact O-CB 3.48Å; Q185-C189 PolarHBondContact O-N 3.01Å
186L92.9Very high90.2Very high0 Ų038.3 Ų38.30%020%0.197CC..Hα-helixtrans-61.6-40.9176.5-174.561.6000111.6L139 F143 L158 M161 L162 V165 L167 S182 C189 I190L139-L186 HydrophobicContact CD1-CD2 4.37Å; L139-L186 HydrophobicContact CD2-CD2 4.12Å; L139-L186 HydrophobicContact CG-CD2 4.21Å; F143-L186 HydrophobicContact CD2-CD1 3.99Å; F143-L186 HydrophobicContact CD2-CD2 4.3Å; F143-L186 HydrophobicContact CD2-CG 4.45Å; F143-L186 HydrophobicContact CE2-CD1 3.91Å; L158-L186 HydrophobicContact CD1-CD2 3.87Å; M161-L186 HydrophobicContact CB-CD1 4.37Å; M161-L186 HydrophobicContact CB-CD2 3.61Å; M161-L186 HydrophobicContact CE-CD2 3.77Å; M161-L186 HydrophobicContact CG-CD2 4.42Å; M161-L186 HydrophobicContact SD-CD2 4.08Å; L162-L186 HydrophobicContact CD2-CB 4.13Å; V165-L186 HydrophobicContact CG2-CD1 4.16Å; L167-L186 HydrophobicContact CD1-CD1 4.27Å; S182-L186 WeakPolarHBondContact O-CB 3.37Å; S182-L186 PolarHBondContact O-N 3.37Å; L186-C189 PolarHBondContact O-N 2.84Å; L186-I190 HydrophobicContact CD1-CG2 4.39Å; L186-I190 WeakPolarHBondContact O-CG1 3.42Å; L186-I190 PolarHBondContact O-N 2.9Å
187T93.4Very high90.3Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-61-48.6176.9-59.60000111.7L8 V38 L107 M183 V184 Q185 C189 L191 F199L8-T187 HydrophobicContact CD1-CG2 4.38Å; V38-T187 HydrophobicContact CG1-CG2 4.48Å; L107-T187 HydrophobicContact CD2-CG2 3.9Å; L107-T187 WeakPolarHBondContact CD2-OG1 3.33Å; M183-T187 VanDerWaalsContact O-CB 3.26Å; M183-T187 WeakPolarHBondContact O-CB 3.34Å; M183-T187 PolarHBondContact O-N 3.07Å; M183-T187 PolarHBondContact O-OG1 3.22Å; V184-T187 WeakPolarHBondContact O-CB 3.46Å; V184-T187 PolarHBondContact O-N 3.11Å; Q185-T187 VanDerWaalsContact C-N 3.31Å; Q185-T187 PolarHBondContact O-N 3.16Å; T187-C189 VanDerWaalsContact C-N 3.33Å; T187-C189 PolarHBondContact O-N 3.39Å; T187-L191 HydrophobicContact CG2-CD1 3.99Å; T187-L191 WeakPolarHBondContact O-CB 3.46Å; T187-L191 WeakPolarHBondContact O-CD1 3.39Å; T187-L191 VanDerWaalsContact O-CG 3.23Å; T187-L191 WeakPolarHBondContact O-CG 3.36Å; T187-L191 PolarHBondContact O-N 3.34Å; T187-L191 VanDerWaalsContact O-N 3.12Å; T187-F199 HydrophobicContact CG2-CE2 3.97Å; T187-F199 HydrophobicContact CG2-CZ 3.88Å
188L92.3Very high90Very high47 Ų4744.7 Ų44.725%0.24622%0.223CC..Hα-helixtrans-63.5-38.2177.5-71.2174.4000112V38 K43 V45 V184 Q185 L191 D192V38-L188 HydrophobicContact CG1-CD2 3.92Å; K43-L188 HydrophobicContact CB-CD2 4.37Å; V45-L188 HydrophobicContact CG2-CD1 3.75Å; V184-L188 HydrophobicContact CG1-CD1 4.01Å; V184-L188 HydrophobicContact CG1-CG 4.38Å; V184-L188 WeakPolarHBondContact O-CG 3.36Å; V184-L188 PolarHBondContact O-N 3.17Å; Q185-L188 PolarHBondContact O-N 3.08Å; L188-L191 WeakPolarHBondContact O-CB 3.25Å; L188-L191 PolarHBondContact O-N 3.28Å; L188-D192 PolarHBondContact O-N 3.4Å
189C91.2Very high89.7Confident33 Ų3341.9 Ų41.922%0.22321%0.213CC..Hα-helixtrans-70.6-42.2-179.7-1680000112.4V165 L167 Q185 L186 T187 L191 D192V165-C189 HydrophobicContact CG1-CB 4.39Å; V165-C189 WeakPolarHBondContact CG1-SG 3.41Å; L167-C189 HydrophobicContact CD1-CB 3.98Å; L167-C189 HydrophobicContact CD2-CB 4.43Å; Q185-C189 WeakPolarHBondContact O-CB 3.48Å; Q185-C189 PolarHBondContact O-N 3.01Å; L186-C189 PolarHBondContact O-N 2.84Å; T187-C189 VanDerWaalsContact C-N 3.33Å; T187-C189 PolarHBondContact O-N 3.39Å; C189-L191 PolarHBondContact O-N 3.07Å; C189-D192 PolarHBondContact O-N 2.74Å; C189-D192 VanDerWaalsContact O-N 3.08Å
190I90.9Very high89Confident0 Ų046.9 Ų46.90%023%0.231CC..Hα-helixtrans-71.8-17.617569.8179.3000113.1L139 F143 L186 D192 Y195 H197 F199L139-I190 HydrophobicContact CD1-CD1 4.15Å; F143-I190 HydrophobicContact CD2-CG2 4.27Å; L186-I190 HydrophobicContact CD1-CG2 4.39Å; L186-I190 WeakPolarHBondContact O-CG1 3.42Å; L186-I190 PolarHBondContact O-N 2.9Å; I190-D192 VanDerWaalsContact C-N 3.29Å; I190-Y195 HydrophobicContact CG2-CD2 4.4Å; I190-Y195 WeakPolarHBondContact O-CB 3.19Å; I190-H197 HydrophobicContact CB-CB 4.22Å; I190-H197 HydrophobicContact CG1-CB 4.38Å; I190-H197 WeakPolarHBondContact O-CA 3.39Å; I190-H197 VanDerWaalsContact O-CB 3.23Å; I190-H197 WeakPolarHBondContact O-CB 3.28Å; I190-H197 PolarHBondContact O-N 3.27Å; I190-F199 HydrophobicContact CD1-CE1 4Å; I190-F199 HydrophobicContact CD1-CZ 3.8Å; I190-F199 HydrophobicContact CG1-CZ 4.03Å
191L89.6Confident88.3Confident16 Ų1650.1 Ų50.18%0.08425%0.253CS..THydrogen-bonded Turntrans-77.7-7.6168.9-77.3164.7000113.9L40 K43 T187 L188 C189 F199L40-L191 HydrophobicContact CD2-CD1 3.61Å; L40-L191 HydrophobicContact CD2-CD2 4.06Å; L40-L191 HydrophobicContact CD2-CG 4.47Å; K43-L191 WeakPolarHBondContact CE-O 3.43Å; K43-L191 PolarHBondContact NZ-O 2.79Å; T187-L191 HydrophobicContact CG2-CD1 3.99Å; T187-L191 WeakPolarHBondContact O-CB 3.46Å; T187-L191 WeakPolarHBondContact O-CD1 3.39Å; T187-L191 VanDerWaalsContact O-CG 3.23Å; T187-L191 WeakPolarHBondContact O-CG 3.36Å; T187-L191 PolarHBondContact O-N 3.34Å; T187-L191 VanDerWaalsContact O-N 3.12Å; L188-L191 WeakPolarHBondContact O-CB 3.25Å; L188-L191 PolarHBondContact O-N 3.28Å; C189-L191 PolarHBondContact O-N 3.07Å; L191-F199 HydrophobicContact CD1-CE2 4.1Å; L191-F199 HydrophobicContact CD2-CD2 4.2Å; L191-F199 HydrophobicContact CD2-CE2 3.8Å; L191-F199 HydrophobicContact CG-CE2 3.82Å
192D88.4Confident88Confident82 Ų8250.6 Ų50.644%0.43926%0.261SS..SBendtrans-112.1174.3-176-141.727000112.4K43 L188 C189 I190 Y195 N196K43-D192 IonicContact NZ-OD1 3.03Å; K43-D192 PolarHBondContact NZ-OD1 3.07Å; L188-D192 PolarHBondContact O-N 3.4Å; C189-D192 PolarHBondContact O-N 2.74Å; C189-D192 VanDerWaalsContact O-N 3.08Å; I190-D192 VanDerWaalsContact C-N 3.29Å; D192-Y195 PolarHBondContact O-N 3.07Å; D192-N196 PolarHBondContact O-N 3.1Å
193E80Confident88Confident135 Ų13551.6 Ų51.663%0.63127%0.265SS*.THydrogen-bonded Turntrans-62135.9170.8-69.1-66.616800110N196E193-N196 PolarHBondContact OE1-ND2 2.89Å; E193-N196 PolarHBondContact OE2-ND2 3.34Å; E193-N196 VanDerWaalsContact OE2-ND2 3.11Å
194P82Confident87.9Confident102 Ų10255.1 Ų55.166%0.66229%0.287SS*.THydrogen-bonded Turncis-94.64.511.538.1-37.7000115.1
195Y85.3Confident87.9Confident65 Ų6555.1 Ų55.126%0.25529%0.287SS..THydrogen-bonded Turntrans-89-41.9-167.8-62.6-68.4000113.8C146 C147 V165 I190 D192 H197C146-Y195 HydrophobicContact CB-CD1 4.16Å; C147-Y195 WeakPolarHBondContact SG-CE1 3.34Å; V165-Y195 HydrophobicContact CG1-CE2 4.17Å; V165-Y195 HydrophobicContact CG2-CE2 4.47Å; I190-Y195 HydrophobicContact CG2-CD2 4.4Å; I190-Y195 WeakPolarHBondContact O-CB 3.19Å; D192-Y195 PolarHBondContact O-N 3.07Å; Y195-H197 PolarHBondContact O-N 2.64Å
196N84.8Confident87.8Confident81 Ų8155.4 Ų55.443%0.43329%0.29SS..  trans47.631.2-178.1-76.8-56.8000114.4D192 E193D192-N196 PolarHBondContact O-N 3.1Å; E193-N196 PolarHBondContact OE1-ND2 2.89Å; E193-N196 PolarHBondContact OE2-ND2 3.34Å; E193-N196 VanDerWaalsContact OE2-ND2 3.11Å
197H86.8Confident87.4Confident27 Ų2759.4 Ų59.413%0.12532%0.318CS..  trans-65.4148.2-174.4-173.758.5000111.3E142 C146 I190 Y195 F199E142-H197 IonicContact OE2-CD2 2.76Å; E142-H197 IonicContact OE2-CE1 3.88Å; E142-H197 IonicContact OE2-NE2 3.12Å; E142-H197 PolarHBondContact OE2-NE2 2.79Å; C146-H197 HydrophobicContact CB-CB 4.09Å; I190-H197 HydrophobicContact CB-CB 4.22Å; I190-H197 HydrophobicContact CG1-CB 4.38Å; I190-H197 WeakPolarHBondContact O-CA 3.39Å; I190-H197 VanDerWaalsContact O-CB 3.23Å; I190-H197 WeakPolarHBondContact O-CB 3.28Å; I190-H197 PolarHBondContact O-N 3.27Å; Y195-H197 PolarHBondContact O-N 2.64Å; H197-F199 AromaticContact CD2-CD1 3.97Å; H197-F199 AromaticContact CD2-CE1 3.83Å
198K84.9Confident86.9Confident125 Ų12567.2 Ų67.254%0.54335%0.352SS..  trans-133.7126.7-179.8-70.8-179-179.6179.20110.8Y200K198-Y200 HydrophobicContact CB-CD2 4.17Å; K198-Y200 HydrophobicContact CB-CE1 4.07Å; K198-Y200 HydrophobicContact CB-CE2 3.51Å; K198-Y200 VanDerWaalsContact CB-CZ 3.46Å; K198-Y200 VanDerWaalsContact CD-OH 3.24Å; K198-Y200 WeakPolarHBondContact CD-OH 3.39Å; K198-Y200 WeakPolarHBondContact O-CD2 3.45Å; K198-Y200 PolarHBondContact O-N 3.25Å; K198-Y200 VanDerWaalsContact O-N 3.12Å
199F85Confident86.7Confident20 Ų2066.1 Ų66.19%0.08835%0.345CS..  trans-76.898-173.7-59.5-75.4000111.1L8 L40 L107 V137 E142 T187 I190 L191 H197L8-F199 HydrophobicContact CD1-CB 4.33Å; L8-F199 HydrophobicContact CD1-CD1 4.24Å; L8-F199 HydrophobicContact CD1-CD2 3.51Å; L8-F199 HydrophobicContact CD1-CE1 4.44Å; L8-F199 HydrophobicContact CD1-CE2 3.74Å; L8-F199 HydrophobicContact CD1-CG 3.76Å; L8-F199 HydrophobicContact CD1-CZ 4.21Å; L40-F199 HydrophobicContact CD1-CD2 4.35Å; L40-F199 HydrophobicContact CD2-CD2 4.16Å; L40-F199 HydrophobicContact CD2-CE2 4.3Å; L107-F199 HydrophobicContact CD1-CE1 4.43Å; V137-F199 HydrophobicContact CG1-CD1 4.02Å; E142-F199 HydrophobicContact CB-CD1 4.16Å; E142-F199 HydrophobicContact CB-CE1 3.99Å; E142-F199 HydrophobicContact CG-CD1 3.84Å; E142-F199 HydrophobicContact CG-CE1 4.15Å; E142-F199 WeakPolarHBondContact OE2-CA 3.42Å; T187-F199 HydrophobicContact CG2-CE2 3.97Å; T187-F199 HydrophobicContact CG2-CZ 3.88Å; I190-F199 HydrophobicContact CD1-CE1 4Å; I190-F199 HydrophobicContact CD1-CZ 3.8Å; I190-F199 HydrophobicContact CG1-CZ 4.03Å; L191-F199 HydrophobicContact CD1-CE2 4.1Å; L191-F199 HydrophobicContact CD2-CD2 4.2Å; L191-F199 HydrophobicContact CD2-CE2 3.8Å; L191-F199 HydrophobicContact CG-CE2 3.82Å; H197-F199 AromaticContact CD2-CD1 3.97Å; H197-F199 AromaticContact CD2-CE1 3.83Å
200Y77.2Confident86.3Confident147 Ų14768 Ų6858%0.57635%0.353SS*.  trans-115.8-18.6-179.2-58-57.3000113.7H4 K198 A202H4-Y200 AromaticContact CE1-CD1 3.88Å; H4-Y200 AromaticContact CE1-CE1 3.76Å; H4-Y200 AromaticContact ND1-CD1 3.91Å; H4-Y200 AromaticContact ND1-CE1 3.89Å; K198-Y200 HydrophobicContact CB-CD2 4.17Å; K198-Y200 HydrophobicContact CB-CE1 4.07Å; K198-Y200 HydrophobicContact CB-CE2 3.51Å; K198-Y200 VanDerWaalsContact CB-CZ 3.46Å; K198-Y200 VanDerWaalsContact CD-OH 3.24Å; K198-Y200 WeakPolarHBondContact CD-OH 3.39Å; K198-Y200 WeakPolarHBondContact O-CD2 3.45Å; K198-Y200 PolarHBondContact O-N 3.25Å; K198-Y200 VanDerWaalsContact O-N 3.12Å; Y200-A202 PolarHBondContact O-N 3.33Å
201C79.9Confident85.7Confident68 Ų6870.4 Ų70.446%0.45937%0.37SS..  trans-105.771.6-167.6-163.60000110.8E142 K145E142-C201 WeakPolarHBondContact OE1-CB 3.36Å; K145-C201 PolarHBondContact NZ-SG 3.33Å
202A87.6Confident85Confident45 Ų4570.9 Ų70.937%0.37238%0.379SS..  trans-72.6128.5169.700000110.3T105 S135 F136 V137 Y200T105-A202 HydrophobicContact CG2-CB 4.39Å; S135-A202 WeakPolarHBondContact OG-CB 3.44Å; F136-A202 CarbonylContact O-C 3.6Å; F136-A202 WeakPolarHBondContact O-CA 3.49Å; V137-A202 HydrophobicContact CG2-CB 4.23Å; Y200-A202 PolarHBondContact O-N 3.33Å
203E92.4Very high84.4Confident29 Ų2970.8 Ų70.814%0.13638%0.381CS..EExtended strand (participates in β ladder)trans-69.7160162.2-76.7-171.8-130.500110.9R115 S135 F136 K141R115-E203 IonicContact CZ-OE2 2.7Å; R115-E203 VanDerWaalsContact CZ-OE2 3.32Å; R115-E203 IonicContact NE-OE2 2.74Å; R115-E203 PolarHBondContact NE-OE2 3.21Å; R115-E203 VanDerWaalsContact NE-OE2 3.08Å; R115-E203 IonicContact NH2-OE2 3.18Å; R115-E203 PolarHBondContact NH2-OE2 3.17Å; S135-E203 WeakPolarHBondContact CA-O 3.38Å; S135-E203 WeakPolarHBondContact CB-O 3.45Å; S135-E203 PolarHBondContact OG-O 3.2Å; F136-E203 HydrophobicContact CD1-CB 4.48Å; F136-E203 HydrophobicContact CD2-CB 4.22Å; F136-E203 HydrophobicContact CE1-CB 4.11Å; F136-E203 HydrophobicContact CE2-CB 3.82Å; F136-E203 HydrophobicContact CE2-CG 4.19Å; F136-E203 HydrophobicContact CZ-CB 3.77Å; F136-E203 HydrophobicContact CZ-CG 4.34Å; F136-E203 WeakPolarHBondContact CZ-OE2 3.36Å; F136-E203 PolarHBondContact N-O 3.14Å; F136-E203 VanDerWaalsContact N-O 3.14Å; F136-E203 PolarHBondContact O-N 2.67Å; K141-E203 IonicContact NZ-OE1 2.71Å; K141-E203 PolarHBondContact NZ-OE1 2.95Å; K141-E203 IonicContact NZ-OE2 3.19Å
204T93.8Very high84.3Confident74 Ų7464.6 Ų64.645%0.45435%0.353SS..EExtended strand (participates in β ladder)trans-127.3152.9174.258.40000112R115 F134 N248R115-T204 PolarHBondContact NH1-O 3.33Å; R115-T204 PolarHBondContact NH2-O 3.11Å; F134-T204 CarbonylContact O-C 3.58Å; F134-T204 VanDerWaalsContact O-CA 3.3Å; F134-T204 WeakPolarHBondContact O-CA 3.36Å; T204-N248 PolarHBondContact O-ND2 3.44Å
205V94.6Very high83.9Confident8 Ų862.3 Ų62.35%0.04834%0.339CS..  trans-113.1131.3166.4-171.60000108.2I114 F134 F136 S207 N248I114-V205 HydrophobicContact CG2-CG2 4.09Å; F134-V205 HydrophobicContact CD1-CB 4.2Å; F134-V205 WeakPolarHBondContact CD1-O 3.49Å; F134-V205 PolarHBondContact O-N 3.07Å; F136-V205 HydrophobicContact CE1-CG2 4.05Å; V205-S207 PolarHBondContact O-N 3.29Å; V205-N248 WeakPolarHBondContact CA-OD1 3.4Å
206N91.1Very high83.3Confident59 Ų5965.1 Ų65.132%0.31635%0.353SS..  trans-71.5126.7179.1-69.89.6000110.6K208 K245 N248N206-K208 WeakPolarHBondContact CB-O 3.39Å; N206-K245 PolarHBondContact O-NZ 2.83Å; N206-N248 PolarHBondContact N-OD1 2.96Å; N206-N248 PolarHBondContact OD1-ND2 2.99Å
207S83.5Confident82.8Confident84 Ų8467.4 Ų67.459%0.58737%0.37SS*.SBendtrans-69.4-36.2-179.460.60000112.2V205 K245V205-S207 PolarHBondContact O-N 3.29Å; S207-K245 PolarHBondContact O-NZ 2.71Å
208K83.9Confident82.3Confident164 Ų16469.3 Ų69.371%0.71338%0.379SS*.SBendtrans-123.6170.2174.3-62.9-179.5-178.2177.50110.7N206N206-K208 WeakPolarHBondContact CB-O 3.39Å
209F87.4Confident82.1Confident24 Ų2469 Ų6911%0.10539%0.389CS..  trans-105.3133.6171166.2-108.7000109.6S211 D237 A241 I249 V254F209-S211 WeakPolarHBondContact CE1-OG 3.45Å; F209-S211 PolarHBondContact O-N 2.94Å; F209-D237 HydrophobicContact CE1-CB 3.91Å; F209-A241 HydrophobicContact CB-CB 3.6Å; F209-A241 HydrophobicContact CD1-CB 4.03Å; F209-A241 HydrophobicContact CD2-CB 4.24Å; F209-A241 HydrophobicContact CG-CB 3.67Å; F209-I249 HydrophobicContact CD2-CB 4.02Å; F209-I249 HydrophobicContact CD2-CD1 4.45Å; F209-I249 HydrophobicContact CD2-CG2 4.18Å; F209-I249 HydrophobicContact CE2-CB 4Å; F209-I249 HydrophobicContact CE2-CG2 3.64Å; F209-V254 HydrophobicContact CE1-CG2 4.2Å; F209-V254 HydrophobicContact CE2-CG2 3.95Å; F209-V254 HydrophobicContact CZ-CB 4.09Å; F209-V254 HydrophobicContact CZ-CG2 3.6Å
210D82.9Confident82.2Confident74 Ų7468.9 Ų68.940%0.39639%0.391SS..  trans-93.888.7-177.9-57.8-34.9000110.2K251 G252D210-K251 HydrophobicContact CB-CB 4.18Å; D210-K251 HydrophobicContact CB-CD 4.41Å; D210-K251 HydrophobicContact CB-CG 3.96Å; D210-K251 WeakPolarHBondContact O-CA 3.39Å; D210-G252 PolarHBondContact O-N 3.36Å
211S78.9Confident82.9Confident49 Ų4966.1 Ų66.134%0.34339%0.386SS..  trans-57.1138.7168.4-60.60000110.3F209 D237F209-S211 WeakPolarHBondContact CE1-OG 3.45Å; F209-S211 PolarHBondContact O-N 2.94Å; S211-D237 WeakPolarHBondContact CB-OD2 3.27Å; S211-D237 PolarHBondContact OG-OD2 2.99Å
212G75.1Confident83.5Confident26 Ų2664.8 Ų64.827%0.26838%0.377SS..  trans178.7-175.2-174.700000113.4G252 A405G212-G252 WeakPolarHBondContact O-CA 3.46Å; G212-A405 VanDerWaalsContact O-CB 3.24Å; G212-A405 WeakPolarHBondContact O-CB 3.44Å
213T75.6Confident83.8Confident81 Ų8166.5 Ų66.550%0.49738%0.377SS..  trans-88.7151.4175.545.20000111.8L319 A405T213-L319 HydrophobicContact CG2-CB 3.85Å; T213-L319 HydrophobicContact CG2-CD1 3.55Å; T213-L319 HydrophobicContact CG2-CG 4.37Å; T213-A405 HydrophobicContact CG2-CB 3.92Å
214C77.1Confident84Confident4 Ų465.7 Ų65.73%0.02737%0.374CS..EExtended strand (participates in β ladder)trans-111.4133.4163.8-176.40000108.2E218 F304 A308 G310C214-E218 PolarHBondContact SG-OE2 3.22Å; C214-E218 VanDerWaalsContact SG-OE2 3.33Å; C214-F304 HydrophobicContact CB-CE1 4Å; C214-A308 HydrophobicContact CB-CB 4.26Å; C214-G310 PolarHBondContact O-N 3.35Å
215S73.1Confident84.1Confident54 Ų5462.1 Ų62.138%0.37835%0.353SS..EExtended strand (participates in β ladder)trans-76141.3176.2-178.50000110.5T217 E218 L305S215-T217 PolarHBondContact O-N 3.19Å; S215-T217 PolarHBondContact OG-N 3.38Å; S215-T217 VanDerWaalsContact OG-N 3.12Å; S215-T217 PolarHBondContact OG-OG1 2.98Å; S215-E218 WeakPolarHBondContact O-CB 3.49Å; S215-E218 PolarHBondContact O-N 2.67Å; S215-E218 VanDerWaalsContact O-N 3.13Å; S215-L305 WeakPolarHBondContact O-CD2 3.39Å
216K74.4Confident84.3Confident124 Ų12461.8 Ų61.854%0.53935%0.35SS..THydrogen-bonded Turntrans-64.5-17169.7-163179.8178-175.80113.2G310 T311K216-G310 WeakPolarHBondContact CB-O 3.29Å; K216-G310 PolarHBondContact N-O 3.04Å; K216-T311 HydrophobicContact CB-CG2 3.67Å; K216-T311 HydrophobicContact CD-CG2 3.45Å; K216-T311 VanDerWaalsContact CD-CG2 3.45Å; K216-T311 HydrophobicContact CG-CG2 4.2Å
217T72.9Confident84.6Confident129 Ų12961.7 Ų61.779%0.79135%0.346SS*.THydrogen-bonded Turntrans-90-0.6175.665.80000113.5S215S215-T217 PolarHBondContact O-N 3.19Å; S215-T217 PolarHBondContact OG-N 3.38Å; S215-T217 VanDerWaalsContact OG-N 3.12Å; S215-T217 PolarHBondContact OG-OG1 2.98Å
218E76.6Confident85.3Confident67 Ų6757.8 Ų57.831%0.31332%0.318SS..SBendtrans-82.1129.8-177.4-160.6-173.5158.600110.7C214 S215 V220 R271C214-E218 PolarHBondContact SG-OE2 3.22Å; C214-E218 VanDerWaalsContact SG-OE2 3.33Å; S215-E218 WeakPolarHBondContact O-CB 3.49Å; S215-E218 PolarHBondContact O-N 2.67Å; S215-E218 VanDerWaalsContact O-N 3.13Å; E218-V220 PolarHBondContact O-N 3.05Å; E218-V220 VanDerWaalsContact O-N 3.12Å; E218-R271 IonicContact OE1-CZ 2.7Å; E218-R271 IonicContact OE1-NH1 3.08Å; E218-R271 PolarHBondContact OE1-NH1 3.42Å; E218-R271 IonicContact OE1-NH2 2.69Å; E218-R271 PolarHBondContact OE1-NH2 2.76Å; E218-R271 IonicContact OE2-NH1 3.9Å; E218-R271 PolarHBondContact OE2-NH1 3.36Å
219P81.3Confident86Confident119 Ų11954.2 Ų54.277%0.77330%0.3SS*.  trans-70.2108.5174.728.3-33.1000110.2
220V87.5Confident86.3Confident18 Ų1853.9 Ų53.911%0.10930%0.304CS..  trans-99.3110.8173.2-177.90000109E218 S222 V225 R271 F304 L305E218-V220 PolarHBondContact O-N 3.05Å; E218-V220 VanDerWaalsContact O-N 3.12Å; V220-S222 PolarHBondContact O-N 3Å; V220-V225 HydrophobicContact CG1-CG2 3.69Å; V220-R271 HydrophobicContact CG1-CG 4.19Å; V220-F304 HydrophobicContact CG1-CD1 4.41Å; V220-F304 HydrophobicContact CG2-CD1 4.26Å; V220-L305 HydrophobicContact CB-CD1 4.16Å; V220-L305 HydrophobicContact CB-CG 4.22Å; V220-L305 HydrophobicContact CG2-CD1 4.01Å; V220-L305 HydrophobicContact CG2-CD2 3.75Å; V220-L305 HydrophobicContact CG2-CG 3.77Å
221D91.2Very high86.9Confident89 Ų8950.6 Ų50.648%0.47629%0.286SS..  trans-67.6126.9171.4171.621.9000110.5E223 T224D221-E223 PolarHBondContact O-N 3.16Å; D221-E223 PolarHBondContact OD1-N 2.75Å; D221-T224 HydrophobicContact CB-CG2 4.02Å; D221-T224 PolarHBondContact O-N 3.13Å; D221-T224 PolarHBondContact O-OG1 3.45Å
222S92.1Very high87.4Confident39 Ų3950.2 Ų50.227%0.27328%0.282SS..G310 helixtrans-59.5-30.2176.4-66.30000112.8V220 T224 V225 A299 T300 G301V220-S222 PolarHBondContact O-N 3Å; S222-T224 PolarHBondContact O-N 3.16Å; S222-T224 VanDerWaalsContact O-N 3.13Å; S222-V225 PolarHBondContact O-N 2.92Å; S222-A299 VanDerWaalsContact O-O 3.1Å; S222-T300 WeakPolarHBondContact OG-CA 3.37Å; S222-T300 WeakPolarHBondContact OG-CB 3.47Å; S222-G301 PolarHBondContact OG-N 2.75Å
223E94.2Very high87.8Confident81 Ų8157.6 Ų57.638%0.37930%0.302SS..G310 helixtrans-72.2-3.6176.9-67.4-55.8107.200113.6D221 A275 R278 K298D221-E223 PolarHBondContact O-N 3.16Å; D221-E223 PolarHBondContact OD1-N 2.75Å; E223-A275 HydrophobicContact CB-CB 3.99Å; E223-A275 VanDerWaalsContact O-CA 3.28Å; E223-A275 WeakPolarHBondContact O-CA 3.49Å; E223-A275 WeakPolarHBondContact O-CB 3.08Å; E223-R278 VanDerWaalsContact CD-NH1 3.26Å; E223-R278 VanDerWaalsContact O-CB 3.29Å; E223-R278 WeakPolarHBondContact O-CB 3.31Å; E223-R278 VanDerWaalsContact O-CG 3.27Å; E223-R278 WeakPolarHBondContact O-CG 3.43Å; E223-R278 PolarHBondContact O-NH1 2.73Å; E223-R278 VanDerWaalsContact O-NH1 3.12Å; E223-R278 PolarHBondContact O-NH2 3.02Å; E223-R278 IonicContact OE1-NH1 2.75Å; E223-R278 PolarHBondContact OE1-NH1 3.49Å; E223-R278 IonicContact OE2-CZ 3.94Å; E223-R278 IonicContact OE2-NH1 3.21Å; E223-R278 PolarHBondContact OE2-NH1 3.44Å; E223-R278 IonicContact OE2-NH2 3.32Å; E223-R278 PolarHBondContact OE2-NH2 3.43Å; E223-K298 IonicContact OE2-NZ 2.64Å; E223-K298 PolarHBondContact OE2-NZ 3.23Å
224T96.3Very high88.2Confident12 Ų1259 Ų597%0.07430%0.303CS..G310 helixtrans-97.4-3.4174.369.90000115D221 S222 F272D221-T224 HydrophobicContact CB-CG2 4.02Å; D221-T224 PolarHBondContact O-N 3.13Å; D221-T224 PolarHBondContact O-OG1 3.45Å; S222-T224 PolarHBondContact O-N 3.16Å; S222-T224 VanDerWaalsContact O-N 3.13Å; T224-F272 PolarHBondContact O-N 2.65Å
225V97.6Very high88.8Confident0 Ų059.4 Ų59.40%031%0.306CS..EExtended strand (participates in β ladder)trans-112137.7-169.4-170.60000113.2V220 S222 V270 R271 R278 A299 F304V220-V225 HydrophobicContact CG1-CG2 3.69Å; S222-V225 PolarHBondContact O-N 2.92Å; V225-V270 WeakPolarHBondContact CA-O 3.46Å; V225-R271 HydrophobicContact CG2-CB 4.33Å; V225-R271 HydrophobicContact CG2-CG 4.36Å; V225-R278 WeakPolarHBondContact O-CG 3.42Å; V225-A299 HydrophobicContact CG1-CB 4.08Å; V225-A299 PolarHBondContact O-N 3.2Å; V225-F304 HydrophobicContact CG1-CB 4.11Å; V225-F304 HydrophobicContact CG1-CD2 4.4Å; V225-F304 HydrophobicContact CG2-CB 4.32Å
226I98.3Very high89.5Confident0 Ų056.9 Ų56.90%029%0.288CS..EExtended strand (participates in β ladder)trans-116162.7163.866.677.6000112.2A228 F244 L269 V270 F272 R278 A281 L282 V296 Y297I226-A228 HydrophobicContact CD1-CB 3.97Å; I226-F244 HydrophobicContact CD1-CE2 4.03Å; I226-F244 HydrophobicContact CD1-CZ 3.84Å; I226-F244 HydrophobicContact CG1-CZ 4.28Å; I226-L269 WeakPolarHBondContact O-CA 3.3Å; I226-V270 HydrophobicContact CD1-CB 3.67Å; I226-V270 HydrophobicContact CD1-CG2 3.82Å; I226-V270 HydrophobicContact CG1-CB 3.97Å; I226-V270 PolarHBondContact N-O 3.41Å; I226-V270 PolarHBondContact O-N 3.14Å; I226-F272 HydrophobicContact CG1-CE2 3.72Å; I226-F272 HydrophobicContact CG1-CZ 4.39Å; I226-F272 HydrophobicContact CG2-CE2 4.21Å; I226-R278 HydrophobicContact CG2-CG 3.72Å; I226-A281 HydrophobicContact CG2-CB 4.3Å; I226-L282 HydrophobicContact CG2-CD2 3.98Å; I226-L282 HydrophobicContact CG2-CG 4.35Å; I226-V296 HydrophobicContact CB-CG1 3.78Å; I226-V296 HydrophobicContact CD1-CG1 3.94Å; I226-V296 HydrophobicContact CG1-CG1 3.85Å; I226-V296 HydrophobicContact CG2-CG1 3.99Å; I226-Y297 CarbonylContact C-O 3.47Å; I226-Y297 WeakPolarHBondContact CA-O 3.48Å; I226-Y297 VanDerWaalsContact CB-O 3.26Å; I226-Y297 WeakPolarHBondContact CB-O 3.27Å
227R97.9Very high90.3Very high58 Ų5851.7 Ų51.722%0.21927%0.266CS..EExtended strand (participates in β ladder)trans-113.3119.9163.2-173.8169.1-176.7153.3-2.9109.3R229 E267 A268 L269 Y297 A299 E303R227-R229 HydrophobicContact CG-CG 4.46Å; R227-E267 IonicContact CZ-OE1 2.87Å; R227-E267 VanDerWaalsContact CZ-OE1 3.28Å; R227-E267 IonicContact CZ-OE2 2.66Å; R227-E267 IonicContact NE-OE1 2.99Å; R227-E267 PolarHBondContact NE-OE1 2.92Å; R227-E267 IonicContact NE-OE2 3.07Å; R227-E267 IonicContact NH2-OE1 2.67Å; R227-E267 PolarHBondContact NH2-OE1 3.18Å; R227-E267 IonicContact NH2-OE2 2.92Å; R227-E267 PolarHBondContact NH2-OE2 3.3Å; R227-A268 WeakPolarHBondContact CA-O 3.36Å; R227-L269 HydrophobicContact CB-CD2 3.61Å; R227-L269 HydrophobicContact CG-CD2 3.76Å; R227-Y297 PolarHBondContact N-O 2.7Å; R227-Y297 PolarHBondContact O-N 3.13Å; R227-A299 HydrophobicContact CB-CB 3.98Å; R227-E303 IonicContact CZ-OE2 3.56Å; R227-E303 IonicContact NH1-OE2 2.75Å; R227-E303 PolarHBondContact NH1-OE2 3.36Å
228A98.1Very high91.1Very high1 Ų148.4 Ų48.41%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-95.1133.8171.500000109.2I226 E267 A268 I294 E295I226-A228 HydrophobicContact CD1-CB 3.97Å; A228-E267 CarbonylContact O-C 3.54Å; A228-E267 WeakPolarHBondContact O-CA 3.49Å; A228-A268 PolarHBondContact N-O 2.87Å; A228-A268 PolarHBondContact O-N 2.89Å; A228-I294 HydrophobicContact CB-CG2 4.01Å; A228-E295 CarbonylContact C-O 3.51Å; A228-E295 WeakPolarHBondContact CA-O 3.24Å
229R96.9Very high91.8Very high90 Ų9047.3 Ų47.334%0.3424%0.238SC..EExtended strand (participates in β ladder)trans-125.2162173.5-54-172.4163.1142.11111.3R227 G266 E267 I294 E295 Y297R227-R229 HydrophobicContact CG-CG 4.46Å; R229-G266 CarbonylContact C-O 3.47Å; R229-E267 HydrophobicContact CB-CG 4.43Å; R229-E267 WeakPolarHBondContact CD-OE1 3.41Å; R229-E267 HydrophobicContact CG-CG 4.01Å; R229-E267 WeakPolarHBondContact CG-OE1 3.33Å; R229-E267 IonicContact CZ-OE1 3.75Å; R229-E267 IonicContact NE-OE1 3.24Å; R229-E267 PolarHBondContact NE-OE1 2.98Å; R229-E267 IonicContact NH2-OE1 2.76Å; R229-I294 WeakPolarHBondContact O-CA 3.36Å; R229-E295 HydrophobicContact CB-CB 4.23Å; R229-E295 PolarHBondContact N-O 3.21Å; R229-E295 PolarHBondContact O-N 3.28Å; R229-Y297 HydrophobicContact CG-CD2 4.44Å; R229-Y297 HydrophobicContact CG-CE2 4.39Å
230G95Very high92.5Very high17 Ų1741.6 Ų41.618%0.17520%0.201CC..SBendtrans90.1-2176.800000114.2G266 R292G230-G266 PolarHBondContact N-O 2.9Å; G230-R292 VanDerWaalsContact O-CZ 3.31Å; G230-R292 PolarHBondContact O-NE 3.23Å; G230-R292 PolarHBondContact O-NH2 3.23Å
231L94.5Very high92.8Very high5 Ų541.2 Ų41.23%0.02620%0.2CC..  trans-50.5138.3-177.3-61.2167.9000112.2W233 I240 G266 A268 M289 I294L231-W233 PolarHBondContact O-N 2.84Å; L231-I240 HydrophobicContact CD1-CD1 3.96Å; L231-I240 HydrophobicContact CD1-CG1 4.37Å; L231-I240 HydrophobicContact CD2-CG1 4.01Å; L231-G266 PolarHBondContact N-O 2.72Å; L231-A268 HydrophobicContact CD1-CB 3.68Å; L231-M289 HydrophobicContact CD2-CE 3.63Å; L231-M289 HydrophobicContact CD2-SD 3.8Å; L231-I294 HydrophobicContact CD2-CD1 3.85Å; L231-I294 HydrophobicContact CD2-CG1 4.49Å; L231-I294 HydrophobicContact CG-CD1 4.4Å
232P90.6Very high93Very high41 Ų4142 Ų4227%0.26620%0.197SC..  trans-51.3137.1164.1-21.629.2000111.5Q234 S235 M289 R292P232-Q234 PolarHBondContact O-N 2.92Å; P232-Q234 VanDerWaalsContact O-N 3.08Å; P232-S235 WeakPolarHBondContact CB-OG 3.25Å; P232-S235 WeakPolarHBondContact CD-OG 3.29Å; P232-S235 WeakPolarHBondContact O-CB 3.04Å; P232-S235 PolarHBondContact O-N 3.14Å; P232-S235 PolarHBondContact O-OG 3.09Å; P232-M289 HydrophobicContact CG-CG 4.33Å; P232-M289 HydrophobicContact CG-SD 4.24Å; P232-R292 HydrophobicContact CG-CB 4.33Å; P232-R292 HydrophobicContact CG-CG 4.03Å
233W83.7Confident93.2Very high180 Ų18041.3 Ų41.368%0.68219%0.188SC*.THydrogen-bonded Turntrans-63.3-20.8-174.5-61.2-39.9000114.6L231L231-W233 PolarHBondContact O-N 2.84Å
234Q83.4Confident93.3Very high112 Ų11237.5 Ų37.552%0.52317%0.171SC..THydrogen-bonded Turntrans-90.2-7.4177.7-62-61.197.500113.7P232P232-Q234 PolarHBondContact O-N 2.92Å; P232-Q234 VanDerWaalsContact O-N 3.08Å
235S89.3Confident93.2Very high11 Ų1138.8 Ų38.88%0.07718%0.175CC..  trans-58.6140.8-177.3-65.70000112.2P232 R264 M289P232-S235 WeakPolarHBondContact CB-OG 3.25Å; P232-S235 WeakPolarHBondContact CD-OG 3.29Å; P232-S235 WeakPolarHBondContact O-CB 3.04Å; P232-S235 PolarHBondContact O-N 3.14Å; P232-S235 PolarHBondContact O-OG 3.09Å; S235-R264 PolarHBondContact O-NH1 3.24Å; S235-M289 PolarHBondContact OG-SD 2.65Å; S235-M289 VanDerWaalsContact OG-SD 3.36Å
236S88.7Confident93.1Very high1 Ų138.8 Ų38.81%0.00718%0.176CC..  trans-97.6172.9171.465.30000112Q238 D239 I240S236-Q238 VanDerWaalsContact C-N 3.27Å; S236-Q238 PolarHBondContact OG-N 3.33Å; S236-D239 WeakPolarHBondContact CB-OD2 3.37Å; S236-D239 PolarHBondContact N-OD2 2.76Å; S236-D239 PolarHBondContact O-N 3.23Å; S236-D239 VanDerWaalsContact OG-CG 3.23Å; S236-D239 PolarHBondContact OG-N 3.21Å; S236-D239 PolarHBondContact OG-OD2 2.9Å; S236-I240 WeakPolarHBondContact O-CG1 3.33Å; S236-I240 PolarHBondContact O-N 3.49Å
237D89.6Confident93Very high16 Ų1639.2 Ų39.29%0.08618%0.178CC..Hα-helixtrans-56.7-40.4164.652.4-18.7000112.5F209 S211 D239 I240 A241 V254 T404F209-D237 HydrophobicContact CE1-CB 3.91Å; S211-D237 WeakPolarHBondContact CB-OD2 3.27Å; S211-D237 PolarHBondContact OG-OD2 2.99Å; D237-D239 VanDerWaalsContact C-N 3.27Å; D237-D239 PolarHBondContact O-N 2.68Å; D237-I240 PolarHBondContact O-N 3.34Å; D237-A241 WeakPolarHBondContact O-CB 3.3Å; D237-A241 PolarHBondContact O-N 3.4Å; D237-V254 HydrophobicContact CB-CB 3.88Å; D237-V254 HydrophobicContact CB-CG1 3.83Å; D237-V254 HydrophobicContact CB-CG2 4.45Å; D237-T404 HydrophobicContact CB-CG2 3.67Å
238Q89.9Confident92.9Very high59 Ų5936.6 Ų36.628%0.27617%0.168SC..Hα-helixtrans-65.1-28.6176.9-173.353.172.600113.1S236 R242S236-Q238 VanDerWaalsContact C-N 3.27Å; S236-Q238 PolarHBondContact OG-N 3.33Å; Q238-R242 WeakPolarHBondContact O-CB 3.39Å; Q238-R242 PolarHBondContact O-N 2.81Å
239D92.3Very high92.8Very high44 Ų4437.1 Ų37.124%0.23517%0.17CC..Hα-helixtrans-76.2-37.1174.4-56.1-53.8000112S236 D237 R242 F243S236-D239 WeakPolarHBondContact CB-OD2 3.37Å; S236-D239 PolarHBondContact N-OD2 2.76Å; S236-D239 PolarHBondContact O-N 3.23Å; S236-D239 VanDerWaalsContact OG-CG 3.23Å; S236-D239 PolarHBondContact OG-N 3.21Å; S236-D239 PolarHBondContact OG-OD2 2.9Å; D237-D239 VanDerWaalsContact C-N 3.27Å; D237-D239 PolarHBondContact O-N 2.68Å; D239-R242 WeakPolarHBondContact O-CB 3.48Å; D239-R242 PolarHBondContact O-N 3.01Å; D239-R242 IonicContact OD1-CZ 2.72Å; D239-R242 IonicContact OD1-NH1 3.02Å; D239-R242 PolarHBondContact OD1-NH1 3.32Å; D239-R242 IonicContact OD1-NH2 3.71Å; D239-F243 PolarHBondContact O-N 3.1Å
240I95.1Very high92.6Very high0 Ų033.5 Ų33.50%016%0.16CC..Hα-helixtrans-65.3-42.3172-66.5162.5000110.4L231 S236 D237 R242 F243 F244 V254 L256 A268 V270 M289L231-I240 HydrophobicContact CD1-CD1 3.96Å; L231-I240 HydrophobicContact CD1-CG1 4.37Å; L231-I240 HydrophobicContact CD2-CG1 4.01Å; S236-I240 WeakPolarHBondContact O-CG1 3.33Å; S236-I240 PolarHBondContact O-N 3.49Å; D237-I240 PolarHBondContact O-N 3.34Å; I240-R242 VanDerWaalsContact C-N 3.29Å; I240-R242 PolarHBondContact O-N 3.48Å; I240-F243 PolarHBondContact O-N 3.28Å; I240-F244 HydrophobicContact CG2-CD2 3.87Å; I240-F244 HydrophobicContact CG2-CE2 4Å; I240-F244 WeakPolarHBondContact O-CD2 3.3Å; I240-F244 PolarHBondContact O-N 2.93Å; I240-V254 HydrophobicContact CB-CG1 4.21Å; I240-V254 HydrophobicContact CD1-CG1 3.72Å; I240-V254 HydrophobicContact CG2-CG1 4.06Å; I240-V254 HydrophobicContact CG2-CG2 4.41Å; I240-L256 HydrophobicContact CD1-CD2 3.45Å; I240-L256 VanDerWaalsContact CD1-CD2 3.45Å; I240-A268 HydrophobicContact CD1-CB 3.72Å; I240-V270 HydrophobicContact CG2-CG2 3.61Å; I240-M289 HydrophobicContact CG1-CE 4.21Å
241A94.8Very high92.3Very high10 Ų1037.8 Ų37.88%0.08317%0.174CC..Hα-helixtrans-66.4-29.4174.300000113F209 D237 F244 K245 I249F209-A241 HydrophobicContact CB-CB 3.6Å; F209-A241 HydrophobicContact CD1-CB 4.03Å; F209-A241 HydrophobicContact CD2-CB 4.24Å; F209-A241 HydrophobicContact CG-CB 3.67Å; D237-A241 WeakPolarHBondContact O-CB 3.3Å; D237-A241 PolarHBondContact O-N 3.4Å; A241-F244 CarbonylContact O-C 3.54Å; A241-K245 PolarHBondContact O-N 2.84Å; A241-K245 VanDerWaalsContact O-N 3.13Å; A241-I249 HydrophobicContact CB-CD1 3.97Å
242R94.1Very high91.9Very high106 Ų10637.9 Ų37.940%0.418%0.176SC..Hα-helixtrans-69.1-42.3170.8-163.6-176-64.999.2-1.8111.4S123 Q238 D239 I240 F244 K245S123-R242 WeakPolarHBondContact OG-CG 3.47Å; Q238-R242 WeakPolarHBondContact O-CB 3.39Å; Q238-R242 PolarHBondContact O-N 2.81Å; D239-R242 WeakPolarHBondContact O-CB 3.48Å; D239-R242 PolarHBondContact O-N 3.01Å; D239-R242 IonicContact OD1-CZ 2.72Å; D239-R242 IonicContact OD1-NH1 3.02Å; D239-R242 PolarHBondContact OD1-NH1 3.32Å; D239-R242 IonicContact OD1-NH2 3.71Å; I240-R242 VanDerWaalsContact C-N 3.29Å; I240-R242 PolarHBondContact O-N 3.48Å; R242-F244 PolarHBondContact O-N 3.3Å; R242-K245 WeakPolarHBondContact O-CB 3.43Å; R242-K245 PolarHBondContact O-N 2.6Å
243F95.9Very high91.9Very high23 Ų2335.9 Ų35.910%0.10116%0.163CC..Hα-helixtrans-63.8-37.1175.2176.3-91.8000112.9D239 I240 R284 H287 M289 I294 V296D239-F243 PolarHBondContact O-N 3.1Å; I240-F243 PolarHBondContact O-N 3.28Å; F243-R284 HydrophobicContact CE1-CB 4.17Å; F243-R284 HydrophobicContact CZ-CB 4.12Å; F243-R284 PolarHBondContact O-NH1 2.83Å; F243-H287 HydrophobicContact CE2-CB 3.67Å; F243-H287 HydrophobicContact CZ-CB 3.78Å; F243-M289 HydrophobicContact CB-CE 3.49Å; F243-M289 VanDerWaalsContact CB-CE 3.49Å; F243-M289 HydrophobicContact CD2-CB 4.14Å; F243-M289 HydrophobicContact CD2-CE 4.26Å; F243-M289 HydrophobicContact CG-CE 3.88Å; F243-I294 HydrophobicContact CD2-CG1 4.25Å; F243-I294 HydrophobicContact CE1-CB 4.17Å; F243-I294 HydrophobicContact CE1-CG2 4.01Å; F243-I294 HydrophobicContact CE2-CB 3.94Å; F243-I294 HydrophobicContact CE2-CG1 3.8Å; F243-I294 HydrophobicContact CZ-CB 3.6Å; F243-I294 HydrophobicContact CZ-CG1 3.96Å; F243-I294 HydrophobicContact CZ-CG2 3.97Å; F243-V296 HydrophobicContact CE1-CG2 4.31Å
244F96.9Very high92.4Very high1 Ų127.6 Ų27.60%0.00413%0.132CC..THydrogen-bonded Turntrans-9219.2173.9-66.4-63.4000114.2I226 I240 A241 R242 L247 I249 V270 F272 A281 R284 V296I226-F244 HydrophobicContact CD1-CE2 4.03Å; I226-F244 HydrophobicContact CD1-CZ 3.84Å; I226-F244 HydrophobicContact CG1-CZ 4.28Å; I240-F244 HydrophobicContact CG2-CD2 3.87Å; I240-F244 HydrophobicContact CG2-CE2 4Å; I240-F244 WeakPolarHBondContact O-CD2 3.3Å; I240-F244 PolarHBondContact O-N 2.93Å; A241-F244 CarbonylContact O-C 3.54Å; R242-F244 PolarHBondContact O-N 3.3Å; F244-L247 HydrophobicContact CD1-CD1 4.3Å; F244-L247 WeakPolarHBondContact O-CB 3.21Å; F244-L247 PolarHBondContact O-N 3.23Å; F244-I249 HydrophobicContact CB-CD1 4.26Å; F244-V270 HydrophobicContact CD2-CG1 4.48Å; F244-V270 HydrophobicContact CD2-CG2 4.46Å; F244-V270 HydrophobicContact CE2-CG2 4.1Å; F244-F272 HydrophobicContact CB-CE1 4.16Å; F244-F272 HydrophobicContact CB-CZ 4.29Å; F244-F272 AromaticContact CD1-CZ 3.99Å; F244-F272 HydrophobicContact CD1-CZ 3.99Å; F244-F272 HydrophobicContact CD2-CZ 4.28Å; F244-F272 HydrophobicContact CE1-CZ 4.4Å; F244-F272 HydrophobicContact CG-CE1 4.31Å; F244-F272 AromaticContact CG-CZ 3.93Å; F244-F272 HydrophobicContact CG-CZ 3.93Å; F244-A281 HydrophobicContact CD1-CB 3.87Å; F244-A281 HydrophobicContact CE1-CB 3.69Å; F244-R284 VanDerWaalsContact C-NH1 3.3Å; F244-V296 HydrophobicContact CE1-CG1 4.41Å; F244-V296 HydrophobicContact CE1-CG2 4.22Å; F244-V296 HydrophobicContact CZ-CG1 4.2Å; F244-V296 HydrophobicContact CZ-CG2 4.06Å
245K95.3Very high92.8Very high39 Ų3922.2 Ų22.217%0.1711%0.107CC..THydrogen-bonded Turntrans-57.6141179.7-170.860.5176.1178.70111.3H119 P120 N206 S207 A241 R242 L247 R284H119-K245 HydrophobicContact CB-CG 4.26Å; P120-K245 WeakPolarHBondContact CG-O 3.41Å; N206-K245 PolarHBondContact O-NZ 2.83Å; S207-K245 PolarHBondContact O-NZ 2.71Å; A241-K245 PolarHBondContact O-N 2.84Å; A241-K245 VanDerWaalsContact O-N 3.13Å; R242-K245 WeakPolarHBondContact O-CB 3.43Å; R242-K245 PolarHBondContact O-N 2.6Å; K245-L247 VanDerWaalsContact C-N 3.35Å; K245-R284 PolarHBondContact O-NH1 3.21Å; K245-R284 PolarHBondContact O-NH2 3.36Å
246G94.9Very high93Very high1 Ų122 Ų221%0.0111%0.105CC..THydrogen-bonded Turntrans95.2-21.7-168.400000113.8R115 H119R115-G246 WeakPolarHBondContact CD-O 3.29Å; R115-G246 VanDerWaalsContact CG-O 3.32Å; R115-G246 WeakPolarHBondContact CG-O 3.25Å; R115-G246 PolarHBondContact NH1-O 3.37Å; H119-G246 VanDerWaalsContact CB-CA 3.5Å
247L96.9Very high93.1Very high9 Ų922.2 Ų22.25%0.04711%0.106CC..SBendtrans-107.3132.7177.3-50.2176.7000109.8R115 F244 K245 I249 F272 H277 L280 A281R115-L247 HydrophobicContact CB-CD2 4.08Å; F244-L247 HydrophobicContact CD1-CD1 4.3Å; F244-L247 WeakPolarHBondContact O-CB 3.21Å; F244-L247 PolarHBondContact O-N 3.23Å; K245-L247 VanDerWaalsContact C-N 3.35Å; L247-I249 PolarHBondContact O-N 3.28Å; L247-F272 HydrophobicContact CB-CD1 4.08Å; L247-F272 HydrophobicContact CB-CE1 3.81Å; L247-F272 HydrophobicContact CD1-CE1 4.28Å; L247-H277 HydrophobicContact CB-CB 4.42Å; L247-L280 HydrophobicContact CD1-CB 4.21Å; L247-L280 HydrophobicContact CD2-CB 3.64Å; L247-L280 HydrophobicContact CD2-CD1 3.8Å; L247-L280 HydrophobicContact CD2-CG 4.39Å; L247-A281 HydrophobicContact CD1-CB 3.79Å
248N96Very high93.1Very high3 Ų322.4 Ų22.42%0.01611%0.108CC..  trans-83.4106.9-179.2-57.5-11.9000109.7T204 V205 N206 I273 H277T204-N248 PolarHBondContact O-ND2 3.44Å; V205-N248 WeakPolarHBondContact CA-OD1 3.4Å; N206-N248 PolarHBondContact N-OD1 2.96Å; N206-N248 PolarHBondContact OD1-ND2 2.99Å; N248-I273 HydrophobicContact CB-CD1 3.73Å; N248-I273 HydrophobicContact CB-CG1 3.98Å; N248-I273 HydrophobicContact CB-CG2 4.19Å; N248-I273 PolarHBondContact O-N 2.98Å; N248-I273 VanDerWaalsContact O-N 3.09Å; N248-H277 PolarHBondContact N-ND1 3.09Å; N248-H277 VanDerWaalsContact N-ND1 3.14Å; N248-H277 PolarHBondContact O-ND1 3.2Å
249I95.7Very high92.9Very high11 Ų1122 Ų226%0.05611%0.107CC..EExtended strand (participates in β ladder)trans-74.6144166.9-53.5175.7000108.5F209 A241 F244 L247 V254 V270 R271 F272F209-I249 HydrophobicContact CD2-CB 4.02Å; F209-I249 HydrophobicContact CD2-CD1 4.45Å; F209-I249 HydrophobicContact CD2-CG2 4.18Å; F209-I249 HydrophobicContact CE2-CB 4Å; F209-I249 HydrophobicContact CE2-CG2 3.64Å; A241-I249 HydrophobicContact CB-CD1 3.97Å; F244-I249 HydrophobicContact CB-CD1 4.26Å; L247-I249 PolarHBondContact O-N 3.28Å; I249-V254 HydrophobicContact CD1-CG2 4.11Å; I249-V254 HydrophobicContact CG2-CG2 3.99Å; I249-V270 HydrophobicContact CD1-CG1 3.88Å; I249-V270 HydrophobicContact CG1-CG1 3.99Å; I249-V270 HydrophobicContact CG2-CG1 3.86Å; I249-R271 VanDerWaalsContact CG2-O 3.29Å; I249-R271 WeakPolarHBondContact CG2-O 3.37Å; I249-F272 HydrophobicContact CG1-CD1 3.95Å; I249-F272 HydrophobicContact CG1-CE1 3.69Å
250A93Very high92.2Very high14 Ų1423.8 Ų23.812%0.11613%0.128CC..EExtended strand (participates in β ladder)trans-67.4157.7174.100000112G252 G253 R271A250-G252 PolarHBondContact O-N 3.34Å; A250-G253 VanDerWaalsContact O-CA 3.31Å; A250-G253 WeakPolarHBondContact O-CA 3.48Å; A250-G253 PolarHBondContact O-N 3.26Å; A250-R271 HydrophobicContact CB-CG 4.33Å; A250-R271 PolarHBondContact N-O 3.09Å
251K87.8Confident91.3Very high107 Ų10729.5 Ų29.547%0.46516%0.155SC..EExtended strand (participates in β ladder)trans-58.4130172.9179.9170.3178.7174.10110.1D210 G253 E322D210-K251 HydrophobicContact CB-CB 4.18Å; D210-K251 HydrophobicContact CB-CD 4.41Å; D210-K251 HydrophobicContact CB-CG 3.96Å; D210-K251 WeakPolarHBondContact O-CA 3.39Å; K251-G253 PolarHBondContact O-N 3.19Å; K251-G253 VanDerWaalsContact O-N 3.17Å; K251-E322 IonicContact NZ-OE1 3.65Å; K251-E322 PolarHBondContact NZ-OE1 3.06Å; K251-E322 IonicContact NZ-OE2 3.41Å
252G85.7Confident90.5Very high7 Ų729.1 Ų29.17%0.07215%0.151CC..EExtended strand (participates in β ladder)trans64.610.8-172.100000114.9D210 G212 A250 V254D210-G252 PolarHBondContact O-N 3.36Å; G212-G252 WeakPolarHBondContact O-CA 3.46Å; A250-G252 PolarHBondContact O-N 3.34Å; G252-V254 PolarHBondContact O-N 3.48Å
253G91.4Very high89.9Confident0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans-73.213.5-171.300000116.2A250 K251 V270 R271A250-G253 VanDerWaalsContact O-CA 3.31Å; A250-G253 WeakPolarHBondContact O-CA 3.48Å; A250-G253 PolarHBondContact O-N 3.26Å; K251-G253 PolarHBondContact O-N 3.19Å; K251-G253 VanDerWaalsContact O-N 3.17Å; G253-V270 CarbonylContact O-C 3.56Å; G253-V270 VanDerWaalsContact O-CA 3.27Å; G253-V270 WeakPolarHBondContact O-CA 3.35Å; G253-R271 PolarHBondContact O-N 3.13Å
254V93.8Very high89.4Confident5 Ų532.1 Ų32.13%0.0316%0.162CC..EExtended strand (participates in β ladder)trans-123.2116178-176.10000111F209 D237 I240 I249 G252 V270F209-V254 HydrophobicContact CE1-CG2 4.2Å; F209-V254 HydrophobicContact CE2-CG2 3.95Å; F209-V254 HydrophobicContact CZ-CB 4.09Å; F209-V254 HydrophobicContact CZ-CG2 3.6Å; D237-V254 HydrophobicContact CB-CB 3.88Å; D237-V254 HydrophobicContact CB-CG1 3.83Å; D237-V254 HydrophobicContact CB-CG2 4.45Å; I240-V254 HydrophobicContact CB-CG1 4.21Å; I240-V254 HydrophobicContact CD1-CG1 3.72Å; I240-V254 HydrophobicContact CG2-CG1 4.06Å; I240-V254 HydrophobicContact CG2-CG2 4.41Å; I249-V254 HydrophobicContact CD1-CG2 4.11Å; I249-V254 HydrophobicContact CG2-CG2 3.99Å; G252-V254 PolarHBondContact O-N 3.48Å; V254-V270 HydrophobicContact CG1-CG2 4.47Å; V254-V270 HydrophobicContact CG2-CG1 4.34Å; V254-V270 HydrophobicContact CG2-CG2 4.48Å
255A92.3Very high89Confident0 Ų035 Ų350%018%0.177CC..EExtended strand (participates in β ladder)trans-117.2102.8-177.900000110.8A268 L269 F304 I307 A308 A406A255-A268 CarbonylContact O-C 3.46Å; A255-A268 VanDerWaalsContact O-CA 3.24Å; A255-A268 WeakPolarHBondContact O-CA 3.35Å; A255-A268 WeakPolarHBondContact O-CB 3.4Å; A255-L269 HydrophobicContact CB-CB 4.45Å; A255-L269 PolarHBondContact N-O 3.42Å; A255-L269 PolarHBondContact O-N 2.97Å; A255-F304 HydrophobicContact CB-CD2 4.37Å; A255-F304 HydrophobicContact CB-CE2 3.94Å; A255-I307 HydrophobicContact CB-CG2 3.94Å; A255-A308 HydrophobicContact CB-CB 3.98Å; A255-A406 HydrophobicContact CB-CB 3.9Å
256L92.4Very high88.7Confident5 Ų533.5 Ų33.53%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-67.6130.1173.9-63.5-179.2000110.4I240 A268 T404 Q410I240-L256 HydrophobicContact CD1-CD2 3.45Å; I240-L256 VanDerWaalsContact CD1-CD2 3.45Å; L256-A268 HydrophobicContact CD2-CB 4.14Å; L256-T404 HydrophobicContact CD1-CG2 3.87Å; L256-T404 HydrophobicContact CG-CG2 3.87Å; L256-Q410 PolarHBondContact O-NE2 3.13Å
257C91.5Very high88.7Confident6 Ų634.8 Ų34.84%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-84.7129.8-178.6-63.80000111.8N265 E267C257-N265 VanDerWaalsContact CB-OD1 3.29Å; C257-N265 WeakPolarHBondContact CB-OD1 3.37Å; C257-N265 PolarHBondContact O-N 3.26Å; C257-N265 PolarHBondContact O-OD1 3.23Å; C257-N265 VanDerWaalsContact O-OD1 3.1Å; C257-E267 HydrophobicContact CB-CB 4Å; C257-E267 WeakPolarHBondContact CB-O 3.17Å; C257-E267 PolarHBondContact N-O 3.24Å
258L89.1Confident88.7Confident21 Ų2134.3 Ų34.311%0.1118%0.176CC..EExtended strand (participates in β ladder)trans-100.8141.4171.6-64.2-172000112.8R263 R264 E407 Q410 V411L258-R263 WeakPolarHBondContact CA-O 3.39Å; L258-R264 HydrophobicContact CD2-CG 3.97Å; L258-E407 HydrophobicContact CD1-CG 4.03Å; L258-E407 HydrophobicContact CD2-CG 4.23Å; L258-E407 HydrophobicContact CG-CG 4.33Å; L258-Q410 HydrophobicContact CD1-CB 4.11Å; L258-Q410 VanDerWaalsContact N-OE1 3.12Å; L258-V411 HydrophobicContact CD1-CG2 3.52Å
259N87Confident88.7Confident50 Ų5034.2 Ų34.227%0.26718%0.176SC..  trans-74.2178.2168.575.46.8000112.3Q261 G262 R263 N265 R414N259-Q261 VanDerWaalsContact C-N 3.25Å; N259-Q261 VanDerWaalsContact CG-OE1 3.28Å; N259-Q261 PolarHBondContact ND2-OE1 2.75Å; N259-Q261 PolarHBondContact O-N 3.29Å; N259-Q261 WeakPolarHBondContact OD1-CA 3.28Å; N259-Q261 PolarHBondContact OD1-N 3.11Å; N259-Q261 PolarHBondContact OD1-OE1 2.86Å; N259-G262 PolarHBondContact O-N 2.88Å; N259-G262 PolarHBondContact OD1-N 2.94Å; N259-G262 VanDerWaalsContact OD1-N 3.09Å; N259-R263 PolarHBondContact N-O 3.06Å; N259-R263 PolarHBondContact OD1-N 3.26Å; N259-R263 PolarHBondContact OD1-O 2.86Å; N259-N265 HydrophobicContact CB-CB 4.41Å; N259-R414 PolarHBondContact O-NH2 2.99Å
260A76.6Confident88.8Confident81 Ų8133.7 Ų33.767%0.66917%0.173SC*.THydrogen-bonded Turntrans-54.9-39.9179.300000112.7G262 R414A260-G262 PolarHBondContact O-N 2.82Å; A260-R414 PolarHBondContact O-NE 2.8Å
261Q76.1Confident88.9Confident121 Ų12134.5 Ų34.557%0.56517%0.173SC*.THydrogen-bonded Turntrans-79.57.8178.9-56.278.110.900113.8N259 R263N259-Q261 VanDerWaalsContact C-N 3.25Å; N259-Q261 VanDerWaalsContact CG-OE1 3.28Å; N259-Q261 PolarHBondContact ND2-OE1 2.75Å; N259-Q261 PolarHBondContact O-N 3.29Å; N259-Q261 WeakPolarHBondContact OD1-CA 3.28Å; N259-Q261 PolarHBondContact OD1-N 3.11Å; N259-Q261 PolarHBondContact OD1-OE1 2.86Å; Q261-R263 VanDerWaalsContact C-N 3.27Å; Q261-R263 PolarHBondContact O-N 2.71Å
262G77.6Confident89.3Confident1 Ų129.4 Ų29.41%0.0115%0.151CC..SBendtrans66.424.617900000114.1N259 A260 R328 R330N259-G262 PolarHBondContact O-N 2.88Å; N259-G262 PolarHBondContact OD1-N 2.94Å; N259-G262 VanDerWaalsContact OD1-N 3.09Å; A260-G262 PolarHBondContact O-N 2.82Å; G262-R328 VanDerWaalsContact O-CZ 3.28Å; G262-R328 PolarHBondContact O-NH1 3.45Å; G262-R328 PolarHBondContact O-NH2 2.93Å; G262-R330 PolarHBondContact O-NH1 3.15Å; G262-R330 VanDerWaalsContact O-NH1 3.13Å
263R81.6Confident89.8Confident159 Ų15933.6 Ų33.660%0.617%0.171SC*.SBendtrans-98.1153.1167.9-67.3179173169.8-3.1109.3L258 N259 Q261L258-R263 WeakPolarHBondContact CA-O 3.39Å; N259-R263 PolarHBondContact N-O 3.06Å; N259-R263 PolarHBondContact OD1-N 3.26Å; N259-R263 PolarHBondContact OD1-O 2.86Å; Q261-R263 VanDerWaalsContact C-N 3.27Å; Q261-R263 PolarHBondContact O-N 2.71Å
264R85.6Confident89.9Confident34 Ų3436.1 Ų36.113%0.12818%0.184CC..EExtended strand (participates in β ladder)trans-62.3138.9173.4-67.4175.7-168.8166.415.7109.8S235 L258 R402 E407S235-R264 PolarHBondContact O-NH1 3.24Å; L258-R264 HydrophobicContact CD2-CG 3.97Å; R264-R402 PolarHBondContact NH1-O 3.23Å; R264-R402 PolarHBondContact NH2-O 3.38Å; R264-E407 IonicContact CZ-OE2 2.67Å; R264-E407 VanDerWaalsContact CZ-OE2 3.24Å; R264-E407 IonicContact NE-OE1 3.77Å; R264-E407 IonicContact NE-OE2 2.8Å; R264-E407 PolarHBondContact NE-OE2 3.06Å; R264-E407 IonicContact NH2-OE1 2.72Å; R264-E407 IonicContact NH2-OE2 3.21Å; R264-E407 PolarHBondContact NH2-OE2 3.28Å
265N88Confident90Very high61 Ų6137.4 Ų37.433%0.32620%0.196SC..EExtended strand (participates in β ladder)trans-96.7-5.4179.769.7-10.1000113.6C257 N259 E267C257-N265 VanDerWaalsContact CB-OD1 3.29Å; C257-N265 WeakPolarHBondContact CB-OD1 3.37Å; C257-N265 PolarHBondContact O-N 3.26Å; C257-N265 PolarHBondContact O-OD1 3.23Å; C257-N265 VanDerWaalsContact O-OD1 3.1Å; N259-N265 HydrophobicContact CB-CB 4.41Å; N265-E267 PolarHBondContact ND2-OE2 3.37Å; N265-E267 WeakPolarHBondContact OD1-CB 3.32Å; N265-E267 PolarHBondContact OD1-N 3.05Å
266G90.5Very high90.1Very high7 Ų740.5 Ų40.57%0.07221%0.21CC..EExtended strand (participates in β ladder)trans86.817.2-17300000113.9R229 G230 L231R229-G266 CarbonylContact C-O 3.47Å; G230-G266 PolarHBondContact N-O 2.9Å; L231-G266 PolarHBondContact N-O 2.72Å
267E94.7Very high90.3Very high28 Ų2840.3 Ų40.313%0.13121%0.209CC..EExtended strand (participates in β ladder)trans-119.9156.9172.4-47.8-176104.500112.2R227 A228 R229 C257 N265R227-E267 IonicContact CZ-OE1 2.87Å; R227-E267 VanDerWaalsContact CZ-OE1 3.28Å; R227-E267 IonicContact CZ-OE2 2.66Å; R227-E267 IonicContact NE-OE1 2.99Å; R227-E267 PolarHBondContact NE-OE1 2.92Å; R227-E267 IonicContact NE-OE2 3.07Å; R227-E267 IonicContact NH2-OE1 2.67Å; R227-E267 PolarHBondContact NH2-OE1 3.18Å; R227-E267 IonicContact NH2-OE2 2.92Å; R227-E267 PolarHBondContact NH2-OE2 3.3Å; A228-E267 CarbonylContact O-C 3.54Å; A228-E267 WeakPolarHBondContact O-CA 3.49Å; R229-E267 HydrophobicContact CB-CG 4.43Å; R229-E267 WeakPolarHBondContact CD-OE1 3.41Å; R229-E267 HydrophobicContact CG-CG 4.01Å; R229-E267 WeakPolarHBondContact CG-OE1 3.33Å; R229-E267 IonicContact CZ-OE1 3.75Å; R229-E267 IonicContact NE-OE1 3.24Å; R229-E267 PolarHBondContact NE-OE1 2.98Å; R229-E267 IonicContact NH2-OE1 2.76Å; C257-E267 HydrophobicContact CB-CB 4Å; C257-E267 WeakPolarHBondContact CB-O 3.17Å; C257-E267 PolarHBondContact N-O 3.24Å; N265-E267 PolarHBondContact ND2-OE2 3.37Å; N265-E267 WeakPolarHBondContact OD1-CB 3.32Å; N265-E267 PolarHBondContact OD1-N 3.05Å
268A96.3Very high90.6Very high0 Ų040.1 Ų40.10%021%0.207CC..EExtended strand (participates in β ladder)trans-145.2155.9166.400000110.6R227 A228 L231 I240 A255 L256R227-A268 WeakPolarHBondContact CA-O 3.36Å; A228-A268 PolarHBondContact N-O 2.87Å; A228-A268 PolarHBondContact O-N 2.89Å; L231-A268 HydrophobicContact CD1-CB 3.68Å; I240-A268 HydrophobicContact CD1-CB 3.72Å; A255-A268 CarbonylContact O-C 3.46Å; A255-A268 VanDerWaalsContact O-CA 3.24Å; A255-A268 WeakPolarHBondContact O-CA 3.35Å; A255-A268 WeakPolarHBondContact O-CB 3.4Å; L256-A268 HydrophobicContact CD2-CB 4.14Å
269L96.3Very high90.9Very high0 Ų042.3 Ų42.30%022%0.219CC..EExtended strand (participates in β ladder)trans-102.6137.4164.4-61.7173000109.1I226 R227 A255 A299 E303 F304 I307I226-L269 WeakPolarHBondContact O-CA 3.3Å; R227-L269 HydrophobicContact CB-CD2 3.61Å; R227-L269 HydrophobicContact CG-CD2 3.76Å; A255-L269 HydrophobicContact CB-CB 4.45Å; A255-L269 PolarHBondContact N-O 3.42Å; A255-L269 PolarHBondContact O-N 2.97Å; L269-A299 HydrophobicContact CD2-CB 3.83Å; L269-E303 HydrophobicContact CD1-CB 3.87Å; L269-E303 WeakPolarHBondContact CD1-O 3.3Å; L269-F304 HydrophobicContact CB-CD2 3.85Å; L269-I307 HydrophobicContact CD1-CD1 3.81Å; L269-I307 HydrophobicContact CD1-CG1 4.31Å
270V97Very high91.4Very high0 Ų040.4 Ų40.40%021%0.209CC..EExtended strand (participates in β ladder)trans-128.8127.4-178.8-175.60000109.8V225 I226 I240 F244 I249 G253 V254 F272V225-V270 WeakPolarHBondContact CA-O 3.46Å; I226-V270 HydrophobicContact CD1-CB 3.67Å; I226-V270 HydrophobicContact CD1-CG2 3.82Å; I226-V270 HydrophobicContact CG1-CB 3.97Å; I226-V270 PolarHBondContact N-O 3.41Å; I226-V270 PolarHBondContact O-N 3.14Å; I240-V270 HydrophobicContact CG2-CG2 3.61Å; F244-V270 HydrophobicContact CD2-CG1 4.48Å; F244-V270 HydrophobicContact CD2-CG2 4.46Å; F244-V270 HydrophobicContact CE2-CG2 4.1Å; I249-V270 HydrophobicContact CD1-CG1 3.88Å; I249-V270 HydrophobicContact CG1-CG1 3.99Å; I249-V270 HydrophobicContact CG2-CG1 3.86Å; G253-V270 CarbonylContact O-C 3.56Å; G253-V270 VanDerWaalsContact O-CA 3.27Å; G253-V270 WeakPolarHBondContact O-CA 3.35Å; V254-V270 HydrophobicContact CG1-CG2 4.47Å; V254-V270 HydrophobicContact CG2-CG1 4.34Å; V254-V270 HydrophobicContact CG2-CG2 4.48Å; V270-F272 HydrophobicContact CB-CE2 4.48Å; V270-F272 HydrophobicContact CG1-CE1 4.25Å; V270-F272 HydrophobicContact CG1-CE2 4.06Å; V270-F272 HydrophobicContact CG1-CZ 3.83Å
271R96Very high92.4Very high31 Ų3136.5 Ų36.512%0.11718%0.177CC..EExtended strand (participates in β ladder)trans-108.2118179.4177.7-172.2172.6-152.2-2110E218 V220 V225 I249 A250 G253 F304E218-R271 IonicContact OE1-CZ 2.7Å; E218-R271 IonicContact OE1-NH1 3.08Å; E218-R271 PolarHBondContact OE1-NH1 3.42Å; E218-R271 IonicContact OE1-NH2 2.69Å; E218-R271 PolarHBondContact OE1-NH2 2.76Å; E218-R271 IonicContact OE2-NH1 3.9Å; E218-R271 PolarHBondContact OE2-NH1 3.36Å; V220-R271 HydrophobicContact CG1-CG 4.19Å; V225-R271 HydrophobicContact CG2-CB 4.33Å; V225-R271 HydrophobicContact CG2-CG 4.36Å; I249-R271 VanDerWaalsContact CG2-O 3.29Å; I249-R271 WeakPolarHBondContact CG2-O 3.37Å; A250-R271 HydrophobicContact CB-CG 4.33Å; A250-R271 PolarHBondContact N-O 3.09Å; G253-R271 PolarHBondContact O-N 3.13Å; R271-F304 HydrophobicContact CB-CD2 4.13Å; R271-F304 HydrophobicContact CB-CE1 4.37Å; R271-F304 HydrophobicContact CB-CE2 3.9Å; R271-F304 HydrophobicContact CB-CG 4.49Å; R271-F304 HydrophobicContact CB-CZ 4.04Å
272F96.8Very high93.4Very high1 Ų132.7 Ų32.70%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-87.7170.1174.6-61.3-82.1000111.8T224 I226 F244 L247 I249 V270 N274 H277 R278 A281T224-F272 PolarHBondContact O-N 2.65Å; I226-F272 HydrophobicContact CG1-CE2 3.72Å; I226-F272 HydrophobicContact CG1-CZ 4.39Å; I226-F272 HydrophobicContact CG2-CE2 4.21Å; F244-F272 HydrophobicContact CB-CE1 4.16Å; F244-F272 HydrophobicContact CB-CZ 4.29Å; F244-F272 AromaticContact CD1-CZ 3.99Å; F244-F272 HydrophobicContact CD1-CZ 3.99Å; F244-F272 HydrophobicContact CD2-CZ 4.28Å; F244-F272 HydrophobicContact CE1-CZ 4.4Å; F244-F272 HydrophobicContact CG-CE1 4.31Å; F244-F272 AromaticContact CG-CZ 3.93Å; F244-F272 HydrophobicContact CG-CZ 3.93Å; L247-F272 HydrophobicContact CB-CD1 4.08Å; L247-F272 HydrophobicContact CB-CE1 3.81Å; L247-F272 HydrophobicContact CD1-CE1 4.28Å; I249-F272 HydrophobicContact CG1-CD1 3.95Å; I249-F272 HydrophobicContact CG1-CE1 3.69Å; V270-F272 HydrophobicContact CB-CE2 4.48Å; V270-F272 HydrophobicContact CG1-CE1 4.25Å; V270-F272 HydrophobicContact CG1-CE2 4.06Å; V270-F272 HydrophobicContact CG1-CZ 3.83Å; F272-N274 VanDerWaalsContact C-N 3.28Å; F272-N274 PolarHBondContact O-N 3.16Å; F272-H277 HydrophobicContact CB-CB 3.68Å; F272-H277 HydrophobicContact CD1-CB 3.96Å; F272-H277 HydrophobicContact CG-CB 3.92Å; F272-R278 HydrophobicContact CD2-CB 4.08Å; F272-A281 HydrophobicContact CD2-CB 4.37Å; F272-A281 HydrophobicContact CE1-CB 4.28Å; F272-A281 HydrophobicContact CE2-CB 3.42Å; F272-A281 VanDerWaalsContact CE2-CB 3.42Å; F272-A281 HydrophobicContact CZ-CB 3.38Å
273I95Very high94.3Very high95 Ų9535.4 Ų35.449%0.48717%0.173SC..SBendtrans-72.5-18.4177.465.8169.4000113.8N248N248-I273 HydrophobicContact CB-CD1 3.73Å; N248-I273 HydrophobicContact CB-CG1 3.98Å; N248-I273 HydrophobicContact CB-CG2 4.19Å; N248-I273 PolarHBondContact O-N 2.98Å; N248-I273 VanDerWaalsContact O-N 3.09Å
274N94.8Very high94.9Very high52 Ų5228 Ų2828%0.27815%0.145SC..SBendtrans-156.7170.7-178.26518000111.2F272 E276 H277 R278F272-N274 VanDerWaalsContact C-N 3.28Å; F272-N274 PolarHBondContact O-N 3.16Å; N274-E276 PolarHBondContact OD1-N 2.73Å; N274-H277 VanDerWaalsContact OD1-CB 3.26Å; N274-H277 WeakPolarHBondContact OD1-CB 3.45Å; N274-H277 PolarHBondContact OD1-CD2 3.26Å; N274-H277 PolarHBondContact OD1-N 2.62Å; N274-R278 PolarHBondContact O-N 2.93Å
275A95.6Very high95.5Very high33 Ų3329.6 Ų29.627%0.27315%0.153SC..Hα-helixtrans-71-30.2179.200000113.6E223 H277 R278 D279E223-A275 HydrophobicContact CB-CB 3.99Å; E223-A275 VanDerWaalsContact O-CA 3.28Å; E223-A275 WeakPolarHBondContact O-CA 3.49Å; E223-A275 WeakPolarHBondContact O-CB 3.08Å; A275-H277 PolarHBondContact O-N 2.97Å; A275-R278 CarbonylContact O-C 3.56Å; A275-R278 WeakPolarHBondContact O-CA 3.31Å; A275-R278 WeakPolarHBondContact O-CB 3.33Å; A275-R278 PolarHBondContact O-N 3.09Å; A275-R278 VanDerWaalsContact O-N 3.13Å; A275-D279 PolarHBondContact O-N 2.95Å
276E94.3Very high95.8Very high65 Ų6530.7 Ų30.730%0.30416%0.155SC..Hα-helixtrans-59.6-46.8176.3177.3176.6-159.500111.9K141 N274 R278 D279 L280K141-E276 WeakPolarHBondContact CE-OE1 3.26Å; K141-E276 IonicContact NZ-OE1 2.71Å; K141-E276 PolarHBondContact NZ-OE1 3.15Å; K141-E276 IonicContact NZ-OE2 3.5Å; K141-E276 PolarHBondContact NZ-OE2 2.69Å; N274-E276 PolarHBondContact OD1-N 2.73Å; E276-R278 VanDerWaalsContact C-N 3.29Å; E276-R278 PolarHBondContact O-N 3.18Å; E276-D279 PolarHBondContact O-N 3.44Å; E276-L280 HydrophobicContact CG-CD1 4.3Å; E276-L280 WeakPolarHBondContact O-CG 3.49Å; E276-L280 PolarHBondContact O-N 3.38Å
277H96.6Very high96.1Very high1 Ų131.4 Ų31.41%0.00516%0.157CC..Hα-helixtrans-66.6-31.9175.4-69.3-177.7000112.1R115 L247 N248 F272 N274 A275 A281R115-H277 PolarHBondContact NE-NE2 3.13Å; L247-H277 HydrophobicContact CB-CB 4.42Å; N248-H277 PolarHBondContact N-ND1 3.09Å; N248-H277 VanDerWaalsContact N-ND1 3.14Å; N248-H277 PolarHBondContact O-ND1 3.2Å; F272-H277 HydrophobicContact CB-CB 3.68Å; F272-H277 HydrophobicContact CD1-CB 3.96Å; F272-H277 HydrophobicContact CG-CB 3.92Å; N274-H277 VanDerWaalsContact OD1-CB 3.26Å; N274-H277 WeakPolarHBondContact OD1-CB 3.45Å; N274-H277 PolarHBondContact OD1-CD2 3.26Å; N274-H277 PolarHBondContact OD1-N 2.62Å; A275-H277 PolarHBondContact O-N 2.97Å; H277-A281 VanDerWaalsContact O-CB 3.31Å; H277-A281 WeakPolarHBondContact O-CB 3.41Å; H277-A281 PolarHBondContact O-N 3.4Å
278R97.2Very high96Very high2 Ų234.9 Ų34.91%0.00817%0.172CC..Hα-helixtrans-64.1-45.7172.4-173.6-67.9-49.6-84.1-12110.5E223 V225 I226 F272 N274 A275 E276 A281 L282 K298E223-R278 VanDerWaalsContact CD-NH1 3.26Å; E223-R278 VanDerWaalsContact O-CB 3.29Å; E223-R278 WeakPolarHBondContact O-CB 3.31Å; E223-R278 VanDerWaalsContact O-CG 3.27Å; E223-R278 WeakPolarHBondContact O-CG 3.43Å; E223-R278 PolarHBondContact O-NH1 2.73Å; E223-R278 VanDerWaalsContact O-NH1 3.12Å; E223-R278 PolarHBondContact O-NH2 3.02Å; E223-R278 IonicContact OE1-NH1 2.75Å; E223-R278 PolarHBondContact OE1-NH1 3.49Å; E223-R278 IonicContact OE2-CZ 3.94Å; E223-R278 IonicContact OE2-NH1 3.21Å; E223-R278 PolarHBondContact OE2-NH1 3.44Å; E223-R278 IonicContact OE2-NH2 3.32Å; E223-R278 PolarHBondContact OE2-NH2 3.43Å; V225-R278 WeakPolarHBondContact O-CG 3.42Å; I226-R278 HydrophobicContact CG2-CG 3.72Å; F272-R278 HydrophobicContact CD2-CB 4.08Å; N274-R278 PolarHBondContact O-N 2.93Å; A275-R278 CarbonylContact O-C 3.56Å; A275-R278 WeakPolarHBondContact O-CA 3.31Å; A275-R278 WeakPolarHBondContact O-CB 3.33Å; A275-R278 PolarHBondContact O-N 3.09Å; A275-R278 VanDerWaalsContact O-N 3.13Å; E276-R278 VanDerWaalsContact C-N 3.29Å; E276-R278 PolarHBondContact O-N 3.18Å; R278-A281 WeakPolarHBondContact O-CB 3.4Å; R278-A281 PolarHBondContact O-N 3.02Å; R278-L282 WeakPolarHBondContact O-CG 3.32Å; R278-L282 PolarHBondContact O-N 2.95Å; R278-K298 VanDerWaalsContact CZ-NZ 3.28Å
279D96.2Very high95.8Very high66 Ų6635.9 Ų35.935%0.35318%0.178SC..Hα-helixtrans-69.3-41.6179.4-71-42.5000112.4A275 E276 A281 L282 E283 K298A275-D279 PolarHBondContact O-N 2.95Å; E276-D279 PolarHBondContact O-N 3.44Å; D279-A281 PolarHBondContact O-N 2.78Å; D279-L282 WeakPolarHBondContact O-CB 3.38Å; D279-L282 PolarHBondContact O-N 3.27Å; D279-L282 WeakPolarHBondContact OD1-CD1 3.41Å; D279-E283 PolarHBondContact O-N 2.9Å; D279-K298 IonicContact OD1-NZ 3.77Å
280L96.3Very high95.5Very high10 Ų1039.1 Ų39.15%0.05221%0.211CC..Hα-helixtrans-59.9-32.1169.3-68.5172.3000112.5P111 R115 Q116 L247 E276 L282 E283P111-L280 HydrophobicContact CG-CD1 4.3Å; R115-L280 HydrophobicContact CB-CD1 4.49Å; Q116-L280 HydrophobicContact CG-CD2 3.95Å; Q116-L280 PolarHBondContact NE2-O 3.47Å; L247-L280 HydrophobicContact CD1-CB 4.21Å; L247-L280 HydrophobicContact CD2-CB 3.64Å; L247-L280 HydrophobicContact CD2-CD1 3.8Å; L247-L280 HydrophobicContact CD2-CG 4.39Å; E276-L280 HydrophobicContact CG-CD1 4.3Å; E276-L280 WeakPolarHBondContact O-CG 3.49Å; E276-L280 PolarHBondContact O-N 3.38Å; L280-L282 VanDerWaalsContact C-N 3.34Å; L280-E283 PolarHBondContact O-N 2.93Å
281A97.4Very high95.1Very high0 Ų045 Ų450%025%0.252CS..Hα-helixtrans-68.8-30.7174.400000112.9I226 F244 L247 F272 H277 R278 D279 E283 R284 V296I226-A281 HydrophobicContact CG2-CB 4.3Å; F244-A281 HydrophobicContact CD1-CB 3.87Å; F244-A281 HydrophobicContact CE1-CB 3.69Å; L247-A281 HydrophobicContact CD1-CB 3.79Å; F272-A281 HydrophobicContact CD2-CB 4.37Å; F272-A281 HydrophobicContact CE1-CB 4.28Å; F272-A281 HydrophobicContact CE2-CB 3.42Å; F272-A281 VanDerWaalsContact CE2-CB 3.42Å; F272-A281 HydrophobicContact CZ-CB 3.38Å; H277-A281 VanDerWaalsContact O-CB 3.31Å; H277-A281 WeakPolarHBondContact O-CB 3.41Å; H277-A281 PolarHBondContact O-N 3.4Å; R278-A281 WeakPolarHBondContact O-CB 3.4Å; R278-A281 PolarHBondContact O-N 3.02Å; D279-A281 PolarHBondContact O-N 2.78Å; A281-E283 VanDerWaalsContact C-N 3.29Å; A281-E283 PolarHBondContact O-N 3.34Å; A281-R284 PolarHBondContact O-N 2.81Å; A281-V296 WeakPolarHBondContact O-CG1 3.39Å
282L97.3Very high95Very high41 Ų4148.6 Ų48.622%0.21527%0.265CS..Hα-helixtrans-67.5-29.3175.4-63.3169.8000112.2I226 R278 D279 L280 R284 H285 V296 Y297 K298I226-L282 HydrophobicContact CG2-CD2 3.98Å; I226-L282 HydrophobicContact CG2-CG 4.35Å; R278-L282 WeakPolarHBondContact O-CG 3.32Å; R278-L282 PolarHBondContact O-N 2.95Å; D279-L282 WeakPolarHBondContact O-CB 3.38Å; D279-L282 PolarHBondContact O-N 3.27Å; D279-L282 WeakPolarHBondContact OD1-CD1 3.41Å; L280-L282 VanDerWaalsContact C-N 3.34Å; L282-R284 PolarHBondContact O-N 2.84Å; L282-H285 VanDerWaalsContact O-CB 3.3Å; L282-H285 WeakPolarHBondContact O-CB 3.46Å; L282-H285 PolarHBondContact O-N 3.25Å; L282-H285 VanDerWaalsContact O-N 3.16Å; L282-V296 HydrophobicContact CD2-CG1 4.16Å; L282-Y297 VanDerWaalsContact CD2-C 3.5Å; L282-K298 HydrophobicContact CD1-CD 4.28Å; L282-K298 HydrophobicContact CD1-CG 3.67Å; L282-K298 HydrophobicContact CD2-CG 4.11Å
283E96.1Very high94.9Very high58 Ų5854.4 Ų54.427%0.27129%0.288SS..THydrogen-bonded Turntrans-65.8-14.8175.1-56.5-173140.700113.1Q116 D279 L280 A281 H285Q116-E283 PolarHBondContact NE2-OE2 3.17Å; D279-E283 PolarHBondContact O-N 2.9Å; L280-E283 PolarHBondContact O-N 2.93Å; A281-E283 VanDerWaalsContact C-N 3.29Å; A281-E283 PolarHBondContact O-N 3.34Å; E283-H285 PolarHBondContact O-N 2.86Å
284R96Very high95Very high3 Ų349.9 Ų49.91%0.01127%0.265CS..THydrogen-bonded Turntrans-86.314.8174.2-52.4-166.9-171.2-171.4-0.3113.6R115 F243 F244 K245 A281 L282 K286 H287R115-R284 PolarHBondContact O-NH2 3.02Å; F243-R284 HydrophobicContact CE1-CB 4.17Å; F243-R284 HydrophobicContact CZ-CB 4.12Å; F243-R284 PolarHBondContact O-NH1 2.83Å; F244-R284 VanDerWaalsContact C-NH1 3.3Å; K245-R284 PolarHBondContact O-NH1 3.21Å; K245-R284 PolarHBondContact O-NH2 3.36Å; A281-R284 PolarHBondContact O-N 2.81Å; L282-R284 PolarHBondContact O-N 2.84Å; R284-K286 PolarHBondContact O-N 2.88Å; R284-H287 HydrophobicContact CB-CB 4.28Å; R284-H287 WeakPolarHBondContact O-CB 3.45Å; R284-H287 PolarHBondContact O-N 3.43Å; R284-H287 VanDerWaalsContact O-N 3.09Å
285H96.4Very high95.2Very high67 Ų6749.4 Ų49.431%0.3126%0.261SS..THydrogen-bonded Turntrans-63.1123.9175.8-171.892.2000110.7L282 E283 V296 Y297L282-H285 VanDerWaalsContact O-CB 3.3Å; L282-H285 WeakPolarHBondContact O-CB 3.46Å; L282-H285 PolarHBondContact O-N 3.25Å; L282-H285 VanDerWaalsContact O-N 3.16Å; E283-H285 PolarHBondContact O-N 2.86Å; H285-V296 PolarHBondContact ND1-N 3.09Å; H285-V296 PolarHBondContact ND1-O 3.32Å; H285-Y297 AromaticContact CE1-CE1 3.76Å; H285-Y297 AromaticContact CE1-CZ 3.74Å
286K95.3Very high95.3Very high85 Ų8548 Ų4837%0.3725%0.249SC..THydrogen-bonded Turntrans72.95.6-170.4-51.8-59.6-175.6170.60117.1R284 Y293 I294 E295R284-K286 PolarHBondContact O-N 2.88Å; K286-Y293 HydrophobicContact CD-CD2 3.58Å; K286-Y293 HydrophobicContact CD-CE2 4.06Å; K286-Y293 HydrophobicContact CD-CG 4.1Å; K286-I294 WeakPolarHBondContact CA-O 3.35Å; K286-I294 PolarHBondContact N-O 3.47Å; K286-E295 HydrophobicContact CD-CG 4.42Å; K286-E295 IonicContact NZ-OE1 3.79Å; K286-E295 PolarHBondContact NZ-OE1 2.83Å
287H95.7Very high95.5Very high22 Ų2249 Ų4910%0.10225%0.251CS..  trans-63.9155.9167.6-70.1-165.4000111G24 S25 E27 F243 R284 Y293 I294G24-H287 PolarHBondContact O-CE1 3.38Å; S25-H287 VanDerWaalsContact C-NE2 3.32Å; S25-H287 PolarHBondContact O-NE2 2.83Å; E27-H287 HydrophobicContact CG-CB 4.49Å; E27-H287 WeakPolarHBondContact OE2-CA 3.22Å; F243-H287 HydrophobicContact CE2-CB 3.67Å; F243-H287 HydrophobicContact CZ-CB 3.78Å; R284-H287 HydrophobicContact CB-CB 4.28Å; R284-H287 WeakPolarHBondContact O-CB 3.45Å; R284-H287 PolarHBondContact O-N 3.43Å; R284-H287 VanDerWaalsContact O-N 3.09Å; H287-Y293 WeakPolarHBondContact O-CA 3.49Å; H287-I294 PolarHBondContact O-N 3.47Å
288H93.7Very high95.5Very high100 Ų10054.1 Ų54.146%0.46327%0.273SS..BIsolated β-bridgetrans-94.3137.4-171.5-64.280.1000114.3E27 R292E27-H288 IonicContact OE2-CG 3.94Å; E27-H288 PolarHBondContact OE2-N 3.27Å; E27-H288 IonicContact OE2-ND1 3.58Å; E27-H288 PolarHBondContact OE2-ND1 2.99Å; H288-R292 WeakPolarHBondContact CA-O 3.38Å
289M92.7Very high95.5Very high22 Ų2254.4 Ų54.411%0.10828%0.276CS..SBendtrans-117.183.4166.1-175.1-173.5-74.500108.2L231 P232 S235 I240 F243 R292 I294L231-M289 HydrophobicContact CD2-CE 3.63Å; L231-M289 HydrophobicContact CD2-SD 3.8Å; P232-M289 HydrophobicContact CG-CG 4.33Å; P232-M289 HydrophobicContact CG-SD 4.24Å; S235-M289 PolarHBondContact OG-SD 2.65Å; S235-M289 VanDerWaalsContact OG-SD 3.36Å; I240-M289 HydrophobicContact CG1-CE 4.21Å; F243-M289 HydrophobicContact CB-CE 3.49Å; F243-M289 VanDerWaalsContact CB-CE 3.49Å; F243-M289 HydrophobicContact CD2-CB 4.14Å; F243-M289 HydrophobicContact CD2-CE 4.26Å; F243-M289 HydrophobicContact CG-CE 3.88Å; M289-R292 PolarHBondContact N-O 3.17Å; M289-I294 HydrophobicContact CB-CD1 3.85Å; M289-I294 HydrophobicContact CB-CG1 3.67Å; M289-I294 HydrophobicContact CE-CG1 4.5Å; M289-I294 HydrophobicContact SD-CD1 4.47Å
290G88.5Confident95.4Very high67 Ų6753.8 Ų53.869%0.69128%0.275SS*.SBendtrans67-136.8-167.600000111.1R292G290-R292 PolarHBondContact O-N 2.96Å
291S88.8Confident95.2Very high124 Ų12453.4 Ų53.487%0.86727%0.273SS*.SBendtrans-7626.6-178.857.60000114.9
292R93.8Very high94.9Very high107 Ų10761.1 Ų61.140%0.40431%0.309SS..  trans-141.6119.3-170.5-63.2-69.7-70.7-148-8.9110.4G230 P232 H288 M289 G290G230-R292 VanDerWaalsContact O-CZ 3.31Å; G230-R292 PolarHBondContact O-NE 3.23Å; G230-R292 PolarHBondContact O-NH2 3.23Å; P232-R292 HydrophobicContact CG-CB 4.33Å; P232-R292 HydrophobicContact CG-CG 4.03Å; H288-R292 WeakPolarHBondContact CA-O 3.38Å; M289-R292 PolarHBondContact N-O 3.17Å; G290-R292 PolarHBondContact O-N 2.96Å
293Y95.1Very high94.7Very high122 Ų12262.4 Ų62.448%0.47831%0.314SS..BIsolated β-bridgetrans-66.9144.3162.964.8-105.3000109.6K286 H287 E295K286-Y293 HydrophobicContact CD-CD2 3.58Å; K286-Y293 HydrophobicContact CD-CE2 4.06Å; K286-Y293 HydrophobicContact CD-CG 4.1Å; H287-Y293 WeakPolarHBondContact O-CA 3.49Å; Y293-E295 HydrophobicContact CD2-CG 3.95Å; Y293-E295 HydrophobicContact CE2-CG 3.77Å
294I97.9Very high94.5Very high1 Ų159.7 Ų59.71%0.00530%0.302CS..  trans-106.4131.2176.9-58.1-51.5000109.7A228 R229 L231 F243 K286 H287 M289 V296A228-I294 HydrophobicContact CB-CG2 4.01Å; R229-I294 WeakPolarHBondContact O-CA 3.36Å; L231-I294 HydrophobicContact CD2-CD1 3.85Å; L231-I294 HydrophobicContact CD2-CG1 4.49Å; L231-I294 HydrophobicContact CG-CD1 4.4Å; F243-I294 HydrophobicContact CD2-CG1 4.25Å; F243-I294 HydrophobicContact CE1-CB 4.17Å; F243-I294 HydrophobicContact CE1-CG2 4.01Å; F243-I294 HydrophobicContact CE2-CB 3.94Å; F243-I294 HydrophobicContact CE2-CG1 3.8Å; F243-I294 HydrophobicContact CZ-CB 3.6Å; F243-I294 HydrophobicContact CZ-CG1 3.96Å; F243-I294 HydrophobicContact CZ-CG2 3.97Å; K286-I294 WeakPolarHBondContact CA-O 3.35Å; K286-I294 PolarHBondContact N-O 3.47Å; H287-I294 PolarHBondContact O-N 3.47Å; M289-I294 HydrophobicContact CB-CD1 3.85Å; M289-I294 HydrophobicContact CB-CG1 3.67Å; M289-I294 HydrophobicContact CE-CG1 4.5Å; M289-I294 HydrophobicContact SD-CD1 4.47Å; I294-V296 HydrophobicContact CG2-CG2 4.27Å
295E97.8Very high94.2Very high42 Ų4261.3 Ų61.320%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-97.3112.5176.3-47.9-175.8129.300109A228 R229 K286 Y293 Y297A228-E295 CarbonylContact C-O 3.51Å; A228-E295 WeakPolarHBondContact CA-O 3.24Å; R229-E295 HydrophobicContact CB-CB 4.23Å; R229-E295 PolarHBondContact N-O 3.21Å; R229-E295 PolarHBondContact O-N 3.28Å; K286-E295 HydrophobicContact CD-CG 4.42Å; K286-E295 IonicContact NZ-OE1 3.79Å; K286-E295 PolarHBondContact NZ-OE1 2.83Å; Y293-E295 HydrophobicContact CD2-CG 3.95Å; Y293-E295 HydrophobicContact CE2-CG 3.77Å; E295-Y297 HydrophobicContact CB-CD2 4.34Å; E295-Y297 HydrophobicContact CB-CE2 3.5Å; E295-Y297 VanDerWaalsContact CB-CE2 3.5Å
296V98.1Very high93.8Very high4 Ų466.9 Ų66.92%0.02433%0.333CS..EExtended strand (participates in β ladder)trans-98.9132.6178-162.70000109.6I226 F243 F244 A281 L282 H285 I294I226-V296 HydrophobicContact CB-CG1 3.78Å; I226-V296 HydrophobicContact CD1-CG1 3.94Å; I226-V296 HydrophobicContact CG1-CG1 3.85Å; I226-V296 HydrophobicContact CG2-CG1 3.99Å; F243-V296 HydrophobicContact CE1-CG2 4.31Å; F244-V296 HydrophobicContact CE1-CG1 4.41Å; F244-V296 HydrophobicContact CE1-CG2 4.22Å; F244-V296 HydrophobicContact CZ-CG1 4.2Å; F244-V296 HydrophobicContact CZ-CG2 4.06Å; A281-V296 WeakPolarHBondContact O-CG1 3.39Å; L282-V296 HydrophobicContact CD2-CG1 4.16Å; H285-V296 PolarHBondContact ND1-N 3.09Å; H285-V296 PolarHBondContact ND1-O 3.32Å; I294-V296 HydrophobicContact CG2-CG2 4.27Å
297Y97.9Very high93.4Very high84 Ų8464.6 Ų64.633%0.32933%0.325SS..EExtended strand (participates in β ladder)trans-136.5157.2178.6-60.1-76.2000110.7I226 R227 R229 L282 H285 E295I226-Y297 CarbonylContact C-O 3.47Å; I226-Y297 WeakPolarHBondContact CA-O 3.48Å; I226-Y297 VanDerWaalsContact CB-O 3.26Å; I226-Y297 WeakPolarHBondContact CB-O 3.27Å; R227-Y297 PolarHBondContact N-O 2.7Å; R227-Y297 PolarHBondContact O-N 3.13Å; R229-Y297 HydrophobicContact CG-CD2 4.44Å; R229-Y297 HydrophobicContact CG-CE2 4.39Å; L282-Y297 VanDerWaalsContact CD2-C 3.5Å; H285-Y297 AromaticContact CE1-CE1 3.76Å; H285-Y297 AromaticContact CE1-CZ 3.74Å; E295-Y297 HydrophobicContact CB-CD2 4.34Å; E295-Y297 HydrophobicContact CB-CE2 3.5Å; E295-Y297 VanDerWaalsContact CB-CE2 3.5Å
298K97.4Very high92.9Very high109 Ų10964 Ų6447%0.47432%0.323SS..EExtended strand (participates in β ladder)trans-63.8148.7167.4-69.5-165.9173.1-158.70110.5E223 R278 D279 L282E223-K298 IonicContact OE2-NZ 2.64Å; E223-K298 PolarHBondContact OE2-NZ 3.23Å; R278-K298 VanDerWaalsContact CZ-NZ 3.28Å; D279-K298 IonicContact OD1-NZ 3.77Å; L282-K298 HydrophobicContact CD1-CD 4.28Å; L282-K298 HydrophobicContact CD1-CG 3.67Å; L282-K298 HydrophobicContact CD2-CG 4.11Å
299A96.6Very high92.1Very high9 Ų959.6 Ų59.67%0.07431%0.305CS..  trans-146170.9172.700000110.3S222 V225 R227 L269S222-A299 VanDerWaalsContact O-O 3.1Å; V225-A299 HydrophobicContact CG1-CB 4.08Å; V225-A299 PolarHBondContact O-N 3.2Å; R227-A299 HydrophobicContact CB-CB 3.98Å; L269-A299 HydrophobicContact CD2-CB 3.83Å
300T94.6Very high90.8Very high53 Ų5359.6 Ų59.633%0.32531%0.311SS..  trans-97.6159-17765.50000113.3S222 E302 E303 F304S222-T300 WeakPolarHBondContact OG-CA 3.37Å; S222-T300 WeakPolarHBondContact OG-CB 3.47Å; T300-E302 PolarHBondContact O-N 2.8Å; T300-E303 PolarHBondContact O-N 3.38Å; T300-E303 PolarHBondContact OG1-N 2.71Å; T300-F304 PolarHBondContact O-N 3.13Å; T300-F304 VanDerWaalsContact O-N 3.13Å
301G92.1Very high89.5Confident2 Ų260.7 Ų60.72%0.02130%0.304CS..Hα-helixtrans-62-30.7169.600000112.6S222 F304 L305S222-G301 PolarHBondContact OG-N 2.75Å; G301-F304 PolarHBondContact O-N 3.24Å; G301-L305 WeakPolarHBondContact O-CB 3.37Å; G301-L305 WeakPolarHBondContact O-CG 3.31Å; G301-L305 PolarHBondContact O-N 2.81Å
302E91.5Very high88.6Confident161 Ų16156.4 Ų56.475%0.75228%0.275SS*.Hα-helixtrans-66.8-42.6173.4-61.9-175.2-179.600112.6T300 F304 L305 K306T300-E302 PolarHBondContact O-N 2.8Å; E302-F304 VanDerWaalsContact C-N 3.3Å; E302-F304 PolarHBondContact O-N 3.25Å; E302-L305 PolarHBondContact O-N 2.89Å; E302-K306 WeakPolarHBondContact O-CB 3.38Å; E302-K306 PolarHBondContact O-N 2.81Å
303E91.8Very high87.7Confident69 Ų6958 Ų5832%0.32229%0.291SS..Hα-helixtrans-59.1-43.8172.2-85.6-171.2-119.200110.6R227 L269 T300 K306R227-E303 IonicContact CZ-OE2 3.56Å; R227-E303 IonicContact NH1-OE2 2.75Å; R227-E303 PolarHBondContact NH1-OE2 3.36Å; L269-E303 HydrophobicContact CD1-CB 3.87Å; L269-E303 WeakPolarHBondContact CD1-O 3.3Å; T300-E303 PolarHBondContact O-N 3.38Å; T300-E303 PolarHBondContact OG1-N 2.71Å; E303-K306 PolarHBondContact O-N 3.25Å
304F92.7Very high86.8Confident1 Ų156.9 Ų56.90%0.00429%0.29CS..Hα-helixtrans-63-53.2177.7-173.2-92.7000111.7C214 V220 V225 A255 L269 R271 T300 G301 E302 K306 I307 A308C214-F304 HydrophobicContact CB-CE1 4Å; V220-F304 HydrophobicContact CG1-CD1 4.41Å; V220-F304 HydrophobicContact CG2-CD1 4.26Å; V225-F304 HydrophobicContact CG1-CB 4.11Å; V225-F304 HydrophobicContact CG1-CD2 4.4Å; V225-F304 HydrophobicContact CG2-CB 4.32Å; A255-F304 HydrophobicContact CB-CD2 4.37Å; A255-F304 HydrophobicContact CB-CE2 3.94Å; L269-F304 HydrophobicContact CB-CD2 3.85Å; R271-F304 HydrophobicContact CB-CD2 4.13Å; R271-F304 HydrophobicContact CB-CE1 4.37Å; R271-F304 HydrophobicContact CB-CE2 3.9Å; R271-F304 HydrophobicContact CB-CG 4.49Å; R271-F304 HydrophobicContact CB-CZ 4.04Å; T300-F304 PolarHBondContact O-N 3.13Å; T300-F304 VanDerWaalsContact O-N 3.13Å; G301-F304 PolarHBondContact O-N 3.24Å; E302-F304 VanDerWaalsContact C-N 3.3Å; E302-F304 PolarHBondContact O-N 3.25Å; F304-K306 VanDerWaalsContact C-N 3.26Å; F304-K306 PolarHBondContact O-N 2.92Å; F304-I307 PolarHBondContact O-N 2.66Å; F304-A308 HydrophobicContact CD1-CB 3.94Å; F304-A308 HydrophobicContact CE1-CB 3.52Å; F304-A308 HydrophobicContact CE2-CB 4.3Å; F304-A308 HydrophobicContact CG-CB 4.48Å; F304-A308 HydrophobicContact CZ-CB 3.71Å; F304-A308 WeakPolarHBondContact O-CB 3.46Å; F304-A308 PolarHBondContact O-N 2.96Å
305L90.3Very high85.9Confident36 Ų3657.1 Ų57.119%0.18829%0.291CS..Hα-helixtrans-64-27.5-179.2-72.5171.2000113.2S215 V220 G301 E302 I307 G309S215-L305 WeakPolarHBondContact O-CD2 3.39Å; V220-L305 HydrophobicContact CB-CD1 4.16Å; V220-L305 HydrophobicContact CB-CG 4.22Å; V220-L305 HydrophobicContact CG2-CD1 4.01Å; V220-L305 HydrophobicContact CG2-CD2 3.75Å; V220-L305 HydrophobicContact CG2-CG 3.77Å; G301-L305 WeakPolarHBondContact O-CB 3.37Å; G301-L305 WeakPolarHBondContact O-CG 3.31Å; G301-L305 PolarHBondContact O-N 2.81Å; E302-L305 PolarHBondContact O-N 2.89Å; L305-I307 VanDerWaalsContact C-N 3.25Å; L305-I307 PolarHBondContact O-N 3.29Å; L305-G309 VanDerWaalsContact O-CA 3.27Å; L305-G309 WeakPolarHBondContact O-CA 3.31Å; L305-G309 PolarHBondContact O-N 3.22Å
306K86.8Confident85Confident184 Ų18458 Ų5880%0.831%0.306SS*.Hα-helixtrans-66.9-24.3173.4-175.2174.6-178.1176.20113.5E302 E303 F304E302-K306 WeakPolarHBondContact O-CB 3.38Å; E302-K306 PolarHBondContact O-N 2.81Å; E303-K306 PolarHBondContact O-N 3.25Å; F304-K306 VanDerWaalsContact C-N 3.26Å; F304-K306 PolarHBondContact O-N 2.92Å
307I87.2Confident84.2Confident38 Ų3864 Ų6420%0.19533%0.334CS..Hα-helixtrans-106.7-36.1-178-60.5-169.6000111.7A255 L269 F304 L305 Q410A255-I307 HydrophobicContact CB-CG2 3.94Å; L269-I307 HydrophobicContact CD1-CD1 3.81Å; L269-I307 HydrophobicContact CD1-CG1 4.31Å; F304-I307 PolarHBondContact O-N 2.66Å; L305-I307 VanDerWaalsContact C-N 3.25Å; L305-I307 PolarHBondContact O-N 3.29Å; I307-Q410 VanDerWaalsContact CG2-CD 3.5Å; I307-Q410 HydrophobicContact CG2-CG 4.22Å
308A85.3Confident83.5Confident8 Ų860.8 Ų60.87%0.06632%0.321CS..Hα-helixtrans-102-23.9-175.400000115C214 A255 F304 G310 A406C214-A308 HydrophobicContact CB-CB 4.26Å; A255-A308 HydrophobicContact CB-CB 3.98Å; F304-A308 HydrophobicContact CD1-CB 3.94Å; F304-A308 HydrophobicContact CE1-CB 3.52Å; F304-A308 HydrophobicContact CE2-CB 4.3Å; F304-A308 HydrophobicContact CG-CB 4.48Å; F304-A308 HydrophobicContact CZ-CB 3.71Å; F304-A308 WeakPolarHBondContact O-CB 3.46Å; F304-A308 PolarHBondContact O-N 2.96Å; A308-G310 PolarHBondContact O-N 2.93Å; A308-A406 HydrophobicContact CB-CB 4.18Å
309G77.6Confident82.7Confident8 Ų856.8 Ų56.88%0.08231%0.305CS..EExtended strand (participates in β ladder)trans-70.8101.3-169.800000113L305L305-G309 VanDerWaalsContact O-CA 3.27Å; L305-G309 WeakPolarHBondContact O-CA 3.31Å; L305-G309 PolarHBondContact O-N 3.22Å
310G65.8Low81.8Confident22 Ų2260.1 Ų60.123%0.22733%0.328CS..EExtended strand (participates in β ladder)trans-79.1148179.300000114.5C214 K216 A308C214-G310 PolarHBondContact O-N 3.35Å; K216-G310 WeakPolarHBondContact CB-O 3.29Å; K216-G310 PolarHBondContact N-O 3.04Å; A308-G310 PolarHBondContact O-N 2.93Å
311T60.7Low80.8Confident90 Ų9061.3 Ų61.355%0.55233%0.328SS*.  trans-146.13.2173.657.70000114.3K216K216-T311 HydrophobicContact CB-CG2 3.67Å; K216-T311 HydrophobicContact CD-CG2 3.45Å; K216-T311 VanDerWaalsContact CD-CG2 3.45Å; K216-T311 HydrophobicContact CG-CG2 4.2Å
312S69.8Low79.6Confident35 Ų3567.5 Ų67.525%0.24536%0.357CS..  trans-93.8119.7-175-60.90000111E314 V315 A316 Q409S312-E314 VanDerWaalsContact C-N 3.27Å; S312-E314 PolarHBondContact O-N 2.85Å; S312-V315 WeakPolarHBondContact O-CA 3.26Å; S312-V315 WeakPolarHBondContact O-CB 3.19Å; S312-V315 PolarHBondContact O-N 3.12Å; S312-A316 PolarHBondContact O-N 2.84Å; S312-Q409 PolarHBondContact OG-NE2 2.89Å
313N75.4Confident78.5Confident139 Ų13966 Ų6674%0.74335%0.354SS*.Hα-helixtrans-57.5-37.3-179.2-69.4-1000113.2V315 A316 Q317N313-V315 VanDerWaalsContact C-N 3.34Å; N313-V315 PolarHBondContact O-N 3Å; N313-A316 PolarHBondContact O-N 3.17Å; N313-Q317 WeakPolarHBondContact O-CB 3.34Å; N313-Q317 PolarHBondContact O-N 3.36Å
314E76.3Confident78Confident100 Ų10064.1 Ų64.147%0.46735%0.345SS..Hα-helixtrans-59.4-42.5173.4-178.5-179.3-144.600112.1S312 Q317 F318 L359S312-E314 VanDerWaalsContact C-N 3.27Å; S312-E314 PolarHBondContact O-N 2.85Å; E314-Q317 PolarHBondContact O-N 3.43Å; E314-F318 WeakPolarHBondContact O-CB 3.31Å; E314-F318 PolarHBondContact O-N 2.89Å; E314-L359 HydrophobicContact CG-CD1 4.04Å
315V77.8Confident77.7Confident5 Ų565.6 Ų65.63%0.0335%0.354CS..Hα-helixtrans-69.7-38.2175.6179.30000110.9S312 N313 Q317 F318 L319 V408 L412S312-V315 WeakPolarHBondContact O-CA 3.26Å; S312-V315 WeakPolarHBondContact O-CB 3.19Å; S312-V315 PolarHBondContact O-N 3.12Å; N313-V315 VanDerWaalsContact C-N 3.34Å; N313-V315 PolarHBondContact O-N 3Å; V315-Q317 VanDerWaalsContact C-N 3.34Å; V315-F318 PolarHBondContact O-N 2.93Å; V315-L319 HydrophobicContact CG1-CD1 3.64Å; V315-L319 HydrophobicContact CG1-CG 4.18Å; V315-L319 VanDerWaalsContact O-CB 3.26Å; V315-L319 WeakPolarHBondContact O-CB 3.26Å; V315-L319 VanDerWaalsContact O-CG 3.31Å; V315-L319 WeakPolarHBondContact O-CG 3.17Å; V315-L319 PolarHBondContact O-N 3.41Å; V315-V408 HydrophobicContact CG1-CG1 4.17Å; V315-V408 HydrophobicContact CG2-CG1 4.34Å; V315-L412 HydrophobicContact CG2-CD1 3.4Å
316A78.9Confident77.8Confident60 Ų6064.5 Ų64.550%0.49635%0.349SS..Hα-helixtrans-66.8-34175.600000112.5S312 N313 L319 S320S312-A316 PolarHBondContact O-N 2.84Å; N313-A316 PolarHBondContact O-N 3.17Å; A316-L319 CarbonylContact O-C 3.54Å; A316-S320 WeakPolarHBondContact O-CA 3.27Å; A316-S320 VanDerWaalsContact O-CB 3.3Å; A316-S320 WeakPolarHBondContact O-CB 3.3Å; A316-S320 PolarHBondContact O-N 3.47Å
317Q81.4Confident78.1Confident132 Ų13255.8 Ų55.862%0.61731%0.311SS*.Hα-helixtrans-71.9-47.3173.6-178.8175.5-17.400111.4N313 E314 V315 L319 S320N313-Q317 WeakPolarHBondContact O-CB 3.34Å; N313-Q317 PolarHBondContact O-N 3.36Å; E314-Q317 PolarHBondContact O-N 3.43Å; V315-Q317 VanDerWaalsContact C-N 3.34Å; Q317-L319 VanDerWaalsContact C-N 3.34Å; Q317-L319 PolarHBondContact O-N 3.44Å; Q317-S320 VanDerWaalsContact O-CB 3.27Å; Q317-S320 WeakPolarHBondContact O-CB 3.34Å; Q317-S320 PolarHBondContact O-N 2.86Å; Q317-S320 PolarHBondContact O-OG 3.46Å
318F83.2Confident78.3Confident15 Ų1554.2 Ų54.27%0.06630%0.302CS..Hα-helixtrans-59.3-44.2176.2-177.6-112000111.7E314 V315 S320 L359 F373 L375 V408E314-F318 WeakPolarHBondContact O-CB 3.31Å; E314-F318 PolarHBondContact O-N 2.89Å; V315-F318 PolarHBondContact O-N 2.93Å; F318-S320 VanDerWaalsContact C-N 3.34Å; F318-L359 HydrophobicContact CB-CD2 4.1Å; F318-L359 HydrophobicContact CD1-CB 4.32Å; F318-L359 HydrophobicContact CD1-CD2 3.73Å; F318-L359 HydrophobicContact CD2-CB 3.64Å; F318-L359 HydrophobicContact CD2-CD2 4.17Å; F318-L359 HydrophobicContact CD2-CG 4.5Å; F318-L359 HydrophobicContact CE1-CB 4.13Å; F318-L359 HydrophobicContact CE1-CD2 4.11Å; F318-L359 HydrophobicContact CE2-CB 3.4Å; F318-L359 HydrophobicContact CG-CB 4.1Å; F318-L359 HydrophobicContact CG-CD2 3.76Å; F318-L359 HydrophobicContact CZ-CB 3.66Å; F318-L359 HydrophobicContact CZ-CD2 4.48Å; F318-F373 HydrophobicContact CE1-CB 3.86Å; F318-F373 HydrophobicContact CZ-CB 3.72Å; F318-L375 HydrophobicContact CD1-CD1 4.17Å; F318-L375 HydrophobicContact CD2-CD1 3.51Å; F318-L375 HydrophobicContact CD2-CG 4.26Å; F318-L375 HydrophobicContact CE1-CD1 4.04Å; F318-L375 HydrophobicContact CE1-CD2 3.9Å; F318-L375 HydrophobicContact CE1-CG 3.96Å; F318-L375 HydrophobicContact CE2-CD1 3.36Å; F318-L375 HydrophobicContact CE2-CD2 4.46Å; F318-L375 HydrophobicContact CE2-CG 3.62Å; F318-L375 HydrophobicContact CG-CD1 3.92Å; F318-L375 HydrophobicContact CZ-CD1 3.65Å; F318-L375 HydrophobicContact CZ-CD2 3.88Å; F318-L375 HydrophobicContact CZ-CG 3.45Å; F318-L375 VanDerWaalsContact CZ-CG 3.45Å; F318-L375 WeakPolarHBondContact O-CD1 3.29Å; F318-V408 HydrophobicContact CD1-CG1 4.33Å; F318-V408 HydrophobicContact CE1-CG1 4.42Å; F318-V408 HydrophobicContact CE1-CG2 4.41Å
319L81.6Confident78.8Confident26 Ų2653.8 Ų53.814%0.13630%0.299CS..THydrogen-bonded Turntrans-93.718.7179.4-53.3-179.4000113.6T213 V315 A316 Q317 K321 I326 L375 A405T213-L319 HydrophobicContact CG2-CB 3.85Å; T213-L319 HydrophobicContact CG2-CD1 3.55Å; T213-L319 HydrophobicContact CG2-CG 4.37Å; V315-L319 HydrophobicContact CG1-CD1 3.64Å; V315-L319 HydrophobicContact CG1-CG 4.18Å; V315-L319 VanDerWaalsContact O-CB 3.26Å; V315-L319 WeakPolarHBondContact O-CB 3.26Å; V315-L319 VanDerWaalsContact O-CG 3.31Å; V315-L319 WeakPolarHBondContact O-CG 3.17Å; V315-L319 PolarHBondContact O-N 3.41Å; A316-L319 CarbonylContact O-C 3.54Å; Q317-L319 VanDerWaalsContact C-N 3.34Å; Q317-L319 PolarHBondContact O-N 3.44Å; L319-K321 PolarHBondContact O-N 3.13Å; L319-I326 HydrophobicContact CD2-CD1 3.67Å; L319-L375 HydrophobicContact CD2-CD2 4.28Å; L319-A405 HydrophobicContact CD1-CB 3.6Å
320S77.9Confident79.5Confident79 Ų7954.8 Ų54.855%0.55230%0.3SS*.  trans-70.2-17178.860.60000113.6A316 Q317 F318A316-S320 WeakPolarHBondContact O-CA 3.27Å; A316-S320 VanDerWaalsContact O-CB 3.3Å; A316-S320 WeakPolarHBondContact O-CB 3.3Å; A316-S320 PolarHBondContact O-N 3.47Å; Q317-S320 VanDerWaalsContact O-CB 3.27Å; Q317-S320 WeakPolarHBondContact O-CB 3.34Å; Q317-S320 PolarHBondContact O-N 2.86Å; Q317-S320 PolarHBondContact O-OG 3.46Å; F318-S320 VanDerWaalsContact C-N 3.34Å
321K72.9Confident80.7Confident77 Ų7754.4 Ų54.434%0.33530%0.297SS..SBendtrans-100.3126.5-175.1-65.7172.6179.9173.40110.4L319 Q324 D353L319-K321 PolarHBondContact O-N 3.13Å; K321-Q324 VanDerWaalsContact CB-CD 3.48Å; K321-Q324 HydrophobicContact CB-CG 4.19Å; K321-Q324 VanDerWaalsContact CB-NE2 3.28Å; K321-D353 IonicContact NZ-OD1 3.56Å; K321-D353 PolarHBondContact NZ-OD1 2.69Å; K321-D353 IonicContact NZ-OD2 3.46Å; K321-D353 PolarHBondContact NZ-OD2 3.03Å
322E66.4Low82.3Confident132 Ų13250.4 Ų50.462%0.61727%0.272SS*.SBendtrans-78.1162.3-177.9-50.3-154.9123.300112.7K251 Q324K251-E322 IonicContact NZ-OE1 3.65Å; K251-E322 PolarHBondContact NZ-OE1 3.06Å; K251-E322 IonicContact NZ-OE2 3.41Å; E322-Q324 VanDerWaalsContact C-N 3.3Å; E322-Q324 PolarHBondContact O-N 3.31Å
323N67.8Low83.4Confident130 Ų13049.9 Ų49.970%0.69527%0.267SS*.SBendtrans60.429173.9-55-42000115.7
324Q82.1Confident84.2Confident30 Ų3050.3 Ų50.314%0.1426%0.263CS..PPolyproline II helixtrans-100.5142.5179.9-59.4-165-22.800113K321 E322 L375 F376K321-Q324 VanDerWaalsContact CB-CD 3.48Å; K321-Q324 HydrophobicContact CB-CG 4.19Å; K321-Q324 VanDerWaalsContact CB-NE2 3.28Å; E322-Q324 VanDerWaalsContact C-N 3.3Å; E322-Q324 PolarHBondContact O-N 3.31Å; Q324-L375 HydrophobicContact CB-CD2 4.38Å; Q324-F376 WeakPolarHBondContact CA-O 3.49Å
325V87.4Confident84.9Confident31 Ų3151.2 Ų51.219%0.18828%0.275CS..EExtended strand (participates in β ladder)trans-96.8124.1175.8-175.70000109.3F376 A382V325-F376 PolarHBondContact N-O 3.03Å; V325-F376 PolarHBondContact O-N 2.86Å; V325-A382 HydrophobicContact CB-CB 3.86Å; V325-A382 HydrophobicContact CG1-CB 3.46Å; V325-A382 VanDerWaalsContact CG1-CB 3.46Å
326I90.8Very high85.6Confident14 Ų1451.7 Ų51.77%0.07228%0.28CS..EExtended strand (participates in β ladder)trans-96.3133-176.7-39.1175.3000109.6L319 F373 V374 L375 S403 V408L319-I326 HydrophobicContact CD2-CD1 3.67Å; I326-F373 HydrophobicContact CG2-CB 4.28Å; I326-F373 HydrophobicContact CG2-CD1 4.19Å; I326-V374 CarbonylContact C-O 3.58Å; I326-V374 WeakPolarHBondContact CA-O 3.33Å; I326-L375 HydrophobicContact CB-CD2 4.41Å; I326-L375 HydrophobicContact CG1-CD2 3.85Å; I326-L375 HydrophobicContact CG2-CD2 4.26Å; I326-S403 PolarHBondContact O-N 3.47Å; I326-V408 HydrophobicContact CD1-CG2 4.15Å; I326-V408 HydrophobicContact CG2-CG2 4.06Å
327I93Very high86.3Confident1 Ų152.2 Ų52.21%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-117.5132.1166.8-65.6-178.1000109.8F373 V374 F376 A382 A385 L386 L400 F401I327-F373 CarbonylContact O-C 3.48Å; I327-F373 WeakPolarHBondContact O-CA 3.27Å; I327-V374 PolarHBondContact N-O 3.33Å; I327-V374 PolarHBondContact O-N 3.23Å; I327-F376 HydrophobicContact CB-CE2 4.01Å; I327-F376 HydrophobicContact CD1-CD2 4.08Å; I327-F376 HydrophobicContact CD1-CE2 3.64Å; I327-F376 HydrophobicContact CD1-CZ 4.45Å; I327-F376 HydrophobicContact CG1-CD2 4.17Å; I327-F376 HydrophobicContact CG1-CE2 3.91Å; I327-A382 HydrophobicContact CD1-CB 3.97Å; I327-A382 VanDerWaalsContact CD1-O 3.3Å; I327-A382 WeakPolarHBondContact CD1-O 3.39Å; I327-A382 HydrophobicContact CG1-CB 4.43Å; I327-A385 HydrophobicContact CD1-CB 3.81Å; I327-L386 HydrophobicContact CD1-CD1 4.4Å; I327-L386 HydrophobicContact CD1-CD2 3.97Å; I327-L386 HydrophobicContact CD1-CG 3.75Å; I327-L386 HydrophobicContact CG1-CD2 4.49Å; I327-L400 HydrophobicContact CG2-CB 4.12Å; I327-L400 HydrophobicContact CG2-CD2 4.34Å; I327-F401 CarbonylContact C-O 3.59Å; I327-F401 WeakPolarHBondContact CA-O 3.37Å
328R93Very high86.8Confident4 Ų448.2 Ų48.22%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-88.5124.5167.3-172.9176.6175.1-165.2-1.5109.7G262 R330 D371 A372 F373 L400 F401 E407G262-R328 VanDerWaalsContact O-CZ 3.28Å; G262-R328 PolarHBondContact O-NH1 3.45Å; G262-R328 PolarHBondContact O-NH2 2.93Å; R328-R330 HydrophobicContact CG-CG 4.18Å; R328-D371 IonicContact CZ-OD2 3.89Å; R328-D371 IonicContact NE-OD2 3.18Å; R328-D371 PolarHBondContact NE-OD2 3.5Å; R328-D371 IonicContact NH2-OD2 2.76Å; R328-D371 PolarHBondContact NH2-OD2 2.7Å; R328-A372 CarbonylContact C-O 3.58Å; R328-A372 WeakPolarHBondContact CA-O 3.24Å; R328-F373 HydrophobicContact CB-CD1 3.75Å; R328-F373 HydrophobicContact CB-CE1 3.61Å; R328-F373 HydrophobicContact CG-CD1 3.95Å; R328-F373 HydrophobicContact CG-CE1 3.53Å; R328-F373 HydrophobicContact CG-CZ 4.05Å; R328-L400 WeakPolarHBondContact O-CA 3.33Å; R328-F401 PolarHBondContact N-O 3Å; R328-F401 PolarHBondContact O-N 2.82Å; R328-E407 WeakPolarHBondContact CD-OE1 3.32Å; R328-E407 IonicContact CZ-OE1 2.74Å; R328-E407 IonicContact NE-OE1 2.81Å; R328-E407 IonicContact NH1-OE1 3.98Å; R328-E407 PolarHBondContact NH1-OE1 3.5Å
329M94.4Very high87.3Confident0 Ų053.6 Ų53.60%029%0.287CS..EExtended strand (participates in β ladder)trans-94141.3167.3-44-174.889.700109.2L332 V341 F344 L345 D371 A372 V374 I398 E399 L400M329-L332 HydrophobicContact CB-CD1 4.13Å; M329-L332 HydrophobicContact CB-CG 4.38Å; M329-V341 HydrophobicContact CE-CG1 3.97Å; M329-V341 HydrophobicContact SD-CG1 3.51Å; M329-V341 VanDerWaalsContact SD-CG1 3.51Å; M329-F344 HydrophobicContact CE-CD1 3.81Å; M329-F344 HydrophobicContact CE-CE1 3.85Å; M329-L345 HydrophobicContact CE-CD2 4.12Å; M329-L345 HydrophobicContact CE-CG 4.3Å; M329-D371 WeakPolarHBondContact O-CA 3.32Å; M329-A372 PolarHBondContact N-O 3.34Å; M329-A372 PolarHBondContact O-N 3.46Å; M329-V374 HydrophobicContact CG-CG2 3.56Å; M329-V374 HydrophobicContact SD-CG2 3.5Å; M329-V374 VanDerWaalsContact SD-CG2 3.5Å; M329-I398 HydrophobicContact CB-CG2 4.24Å; M329-I398 HydrophobicContact CE-CG2 4.18Å; M329-E399 CarbonylContact C-O 3.48Å; M329-E399 WeakPolarHBondContact CA-O 3.44Å; M329-L400 HydrophobicContact CB-CD2 3.99Å; M329-L400 HydrophobicContact CE-CD2 3.66Å; M329-L400 HydrophobicContact CG-CD2 3.72Å
330R92.3Very high87.8Confident28 Ų2856.2 Ų56.211%0.10630%0.299CS..EExtended strand (participates in β ladder)trans-134.9149.8174.2-51.3-160.271.8179.16.1111.8G262 R328 G370 D371 E399 F401G262-R330 PolarHBondContact O-NH1 3.15Å; G262-R330 VanDerWaalsContact O-NH1 3.13Å; R328-R330 HydrophobicContact CG-CG 4.18Å; R330-G370 CarbonylContact C-O 3.6Å; R330-D371 WeakPolarHBondContact CB-OD1 3.46Å; R330-D371 WeakPolarHBondContact CG-OD1 3.49Å; R330-D371 IonicContact CZ-OD1 3.63Å; R330-D371 IonicContact CZ-OD2 2.88Å; R330-D371 VanDerWaalsContact CZ-OD2 3.28Å; R330-D371 VanDerWaalsContact NE-CG 3.29Å; R330-D371 IonicContact NE-OD1 2.74Å; R330-D371 PolarHBondContact NE-OD1 2.84Å; R330-D371 IonicContact NE-OD2 3.28Å; R330-D371 PolarHBondContact NE-OD2 3.12Å; R330-D371 IonicContact NH2-OD1 3.67Å; R330-D371 PolarHBondContact NH2-OD1 3.29Å; R330-D371 IonicContact NH2-OD2 2.82Å; R330-D371 PolarHBondContact NH2-OD2 2.98Å; R330-E399 HydrophobicContact CB-CB 4.32Å; R330-E399 PolarHBondContact N-O 3.01Å; R330-E399 PolarHBondContact O-N 2.93Å; R330-F401 HydrophobicContact CG-CD2 4.28Å; R330-F401 HydrophobicContact CG-CE2 4.06Å
331G91.9Very high88.6Confident15 Ų1552.4 Ų52.416%0.15527%0.272CS..SBendtrans87.37.6175.600000115G370 R396G331-G370 PolarHBondContact N-O 3.04Å; G331-R396 WeakPolarHBondContact O-CB 3.28Å; G331-R396 PolarHBondContact O-NE 2.86Å; G331-R396 VanDerWaalsContact O-NE 3.08Å
332L94.4Very high89.6Confident5 Ų550.6 Ų50.63%0.02627%0.266CS..  trans-51.1138.9178-68.8167.8000111.2M329 V341 F360 G370 A372 L393 I398M329-L332 HydrophobicContact CB-CD1 4.13Å; M329-L332 HydrophobicContact CB-CG 4.38Å; L332-V341 HydrophobicContact CD2-CG2 4.01Å; L332-F360 HydrophobicContact CD1-CE1 4.26Å; L332-G370 PolarHBondContact N-O 3.24Å; L332-A372 HydrophobicContact CD1-CB 3.56Å; L332-L393 HydrophobicContact CD2-CD1 3.98Å; L332-I398 HydrophobicContact CD2-CD1 3.89Å; L332-I398 HydrophobicContact CD2-CG1 4.37Å; L332-I398 HydrophobicContact CD2-CG2 4.33Å; L332-I398 HydrophobicContact CG-CD1 4.38Å
333P93.1Very high90.8Very high24 Ų2448.7 Ų48.716%0.15627%0.267CS..  trans-53.6141.7168.7-23.531.8000111.5T335 A336 L393 R396P333-T335 PolarHBondContact O-N 2.83Å; P333-T335 VanDerWaalsContact O-N 3.09Å; P333-A336 HydrophobicContact CB-CB 4.23Å; P333-A336 HydrophobicContact CG-CB 4.45Å; P333-A336 WeakPolarHBondContact O-CB 3.48Å; P333-A336 PolarHBondContact O-N 3.03Å; P333-L393 HydrophobicContact CG-CD2 4.02Å; P333-L393 WeakPolarHBondContact CG-O 3.47Å; P333-R396 HydrophobicContact CB-CG 4.47Å; P333-R396 HydrophobicContact CG-CB 4.18Å; P333-R396 HydrophobicContact CG-CG 3.85Å
334F91.6Very high92.1Very high149 Ų14943.6 Ų43.665%0.65424%0.239SC*.THydrogen-bonded Turntrans-66.4-10.2177-56.1-42.4000113.9P368F334-P368 HydrophobicContact CB-CG 4Å; F334-P368 HydrophobicContact CD1-CG 4.44Å; F334-P368 VanDerWaalsContact O-CG 3.28Å; F334-P368 WeakPolarHBondContact O-CG 3.48Å
335T91.2Very high92.5Very high118 Ų11842.3 Ų42.372%0.72423%0.233SC*.THydrogen-bonded Turntrans-97.9-1.1172.557.40000113.3P333 T337P333-T335 PolarHBondContact O-N 2.83Å; P333-T335 VanDerWaalsContact O-N 3.09Å; T335-T337 PolarHBondContact O-N 3.01Å
336A92.4Very high92.6Very high16 Ų1641.5 Ų41.513%0.13223%0.231CC..  trans-67.2125.3-17200000111.9P333 L393P333-A336 HydrophobicContact CB-CB 4.23Å; P333-A336 HydrophobicContact CG-CB 4.45Å; P333-A336 WeakPolarHBondContact O-CB 3.48Å; P333-A336 PolarHBondContact O-N 3.03Å; A336-L393 HydrophobicContact CB-CD2 4.44Å
337T92.7Very high92.5Very high71 Ų7147.1 Ų47.144%0.43627%0.268SS..  trans-90.8161.2178.562.50000112T335 Q339 E340 V341T335-T337 PolarHBondContact O-N 3.01Å; T337-Q339 PolarHBondContact O-N 3.02Å; T337-E340 WeakPolarHBondContact CB-OE2 3.4Å; T337-E340 WeakPolarHBondContact CG2-OE2 3.42Å; T337-E340 PolarHBondContact N-OE2 2.75Å; T337-E340 PolarHBondContact O-N 2.69Å; T337-E340 WeakPolarHBondContact OG1-CG 3.47Å; T337-E340 PolarHBondContact OG1-N 3.43Å; T337-E340 PolarHBondContact OG1-OE2 2.65Å; T337-V341 PolarHBondContact O-N 2.78Å; T337-V341 VanDerWaalsContact O-N 3.13Å
338T93Very high92.2Very high47 Ų4753 Ų5329%0.28830%0.296SS..Hα-helixtrans-50.2-42.6170.3-490000111.8V341 L342 A355 L358T338-V341 PolarHBondContact O-N 2.97Å; T338-L342 HydrophobicContact CG2-CD1 4.01Å; T338-L342 HydrophobicContact CG2-CG 4.49Å; T338-L342 WeakPolarHBondContact O-CB 3.36Å; T338-L342 VanDerWaalsContact O-CG 3.28Å; T338-L342 WeakPolarHBondContact O-CG 3.3Å; T338-L342 PolarHBondContact O-N 3.24Å; T338-A355 HydrophobicContact CG2-CB 3.84Å; T338-L358 HydrophobicContact CG2-CD2 3.96Å
339Q92.7Very high92Very high128 Ų12852.9 Ų52.960%0.59830%0.295SS*.Hα-helixtrans-71.6-35.5-176.8-63.1-63.5-4.600113.1T337 S343T337-Q339 PolarHBondContact O-N 3.02Å; Q339-S343 VanDerWaalsContact O-CB 3.27Å; Q339-S343 WeakPolarHBondContact O-CB 3.18Å; Q339-S343 PolarHBondContact O-N 2.88Å; Q339-S343 PolarHBondContact O-OG 3.03Å
340E93.2Very high91.8Very high81 Ų8155.5 Ų55.538%0.37931%0.312SS..Hα-helixtrans-67-38.2172.9-72.3163.3112.100111.7T337 S343 F344 L393T337-E340 WeakPolarHBondContact CB-OE2 3.4Å; T337-E340 WeakPolarHBondContact CG2-OE2 3.42Å; T337-E340 PolarHBondContact N-OE2 2.75Å; T337-E340 PolarHBondContact O-N 2.69Å; T337-E340 WeakPolarHBondContact OG1-CG 3.47Å; T337-E340 PolarHBondContact OG1-N 3.43Å; T337-E340 PolarHBondContact OG1-OE2 2.65Å; E340-S343 PolarHBondContact O-N 3.46Å; E340-F344 WeakPolarHBondContact O-CB 3.42Å; E340-F344 PolarHBondContact O-N 2.83Å; E340-L393 HydrophobicContact CB-CD2 4.37Å
341V94.1Very high91.7Very high0 Ų054.9 Ų54.90%031%0.312CS..Hα-helixtrans-67-44.8175.7172.80000111.5M329 L332 T337 T338 S343 F344 L345 L358 F360 L393M329-V341 HydrophobicContact CE-CG1 3.97Å; M329-V341 HydrophobicContact SD-CG1 3.51Å; M329-V341 VanDerWaalsContact SD-CG1 3.51Å; L332-V341 HydrophobicContact CD2-CG2 4.01Å; T337-V341 PolarHBondContact O-N 2.78Å; T337-V341 VanDerWaalsContact O-N 3.13Å; T338-V341 PolarHBondContact O-N 2.97Å; V341-S343 VanDerWaalsContact C-N 3.32Å; V341-S343 PolarHBondContact O-N 2.75Å; V341-F344 PolarHBondContact O-N 2.96Å; V341-L345 HydrophobicContact CG1-CD1 4.13Å; V341-L345 WeakPolarHBondContact O-CG 3.46Å; V341-L345 PolarHBondContact O-N 3.08Å; V341-L358 HydrophobicContact CB-CD2 3.75Å; V341-L358 HydrophobicContact CG1-CD1 3.8Å; V341-L358 HydrophobicContact CG1-CD2 3.6Å; V341-L358 HydrophobicContact CG1-CG 4.4Å; V341-L358 HydrophobicContact CG2-CD2 4.33Å; V341-F360 HydrophobicContact CG2-CE1 4.22Å; V341-F360 HydrophobicContact CG2-CZ 3.96Å; V341-L393 HydrophobicContact CG2-CD1 4.32Å
342L93.5Very high91.4Very high39 Ų3955 Ų5520%0.20431%0.31CS..Hα-helixtrans-62.6-38.6174.3-70.6172.8000111.8T338 L345 G346 V351T338-L342 HydrophobicContact CG2-CD1 4.01Å; T338-L342 HydrophobicContact CG2-CG 4.49Å; T338-L342 WeakPolarHBondContact O-CB 3.36Å; T338-L342 VanDerWaalsContact O-CG 3.28Å; T338-L342 WeakPolarHBondContact O-CG 3.3Å; T338-L342 PolarHBondContact O-N 3.24Å; L342-L345 PolarHBondContact O-N 3.49Å; L342-G346 PolarHBondContact O-N 3.03Å; L342-V351 HydrophobicContact CD2-CB 3.7Å; L342-V351 HydrophobicContact CD2-CG1 4.38Å; L342-V351 HydrophobicContact CD2-CG2 3.59Å
343S93.1Very high91Very high91 Ų9159.9 Ų59.964%0.63634%0.336SS*.Hα-helixtrans-68-39.3176.1-59.40000112.6Q339 E340 V341 G346Q339-S343 VanDerWaalsContact O-CB 3.27Å; Q339-S343 WeakPolarHBondContact O-CB 3.18Å; Q339-S343 PolarHBondContact O-N 2.88Å; Q339-S343 PolarHBondContact O-OG 3.03Å; E340-S343 PolarHBondContact O-N 3.46Å; V341-S343 VanDerWaalsContact C-N 3.32Å; V341-S343 PolarHBondContact O-N 2.75Å; S343-G346 PolarHBondContact O-N 3.14Å
344F93.4Very high90.6Very high24 Ų2459.8 Ų59.811%0.10534%0.339CS..Hα-helixtrans-62.4-45.1174.6171.1-92.7000111.5M329 E340 V341 K388 Q391 L393 I398 L400M329-F344 HydrophobicContact CE-CD1 3.81Å; M329-F344 HydrophobicContact CE-CE1 3.85Å; E340-F344 WeakPolarHBondContact O-CB 3.42Å; E340-F344 PolarHBondContact O-N 2.83Å; V341-F344 PolarHBondContact O-N 2.96Å; F344-K388 HydrophobicContact CE1-CB 4.25Å; F344-K388 HydrophobicContact CZ-CB 4.11Å; F344-K388 VanDerWaalsContact O-CD 3.24Å; F344-K388 WeakPolarHBondContact O-CD 3.43Å; F344-K388 PolarHBondContact O-NZ 2.79Å; F344-Q391 HydrophobicContact CE2-CB 3.75Å; F344-Q391 HydrophobicContact CZ-CB 4.02Å; F344-L393 HydrophobicContact CB-CD1 3.79Å; F344-L393 HydrophobicContact CB-CG 4.33Å; F344-L393 HydrophobicContact CD1-CD1 4.49Å; F344-L393 HydrophobicContact CD2-CB 4.01Å; F344-L393 HydrophobicContact CD2-CD1 4.18Å; F344-L393 HydrophobicContact CD2-CG 4.26Å; F344-L393 HydrophobicContact CE2-CB 4.36Å; F344-L393 HydrophobicContact CG-CD1 3.92Å; F344-L393 HydrophobicContact CG-CG 4.45Å; F344-I398 HydrophobicContact CE1-CB 4.42Å; F344-I398 HydrophobicContact CE1-CG2 4.41Å; F344-I398 HydrophobicContact CE2-CG1 4.32Å; F344-I398 HydrophobicContact CZ-CB 3.95Å; F344-I398 HydrophobicContact CZ-CG1 4.21Å; F344-I398 HydrophobicContact CZ-CG2 4.42Å; F344-L400 HydrophobicContact CE1-CD1 4.26Å
345L92.2Very high90.2Very high2 Ų255 Ų551%0.0133%0.328CS..Hα-helixtrans-66.9-41.4174.8-67.4171.4000111.5M329 V341 L342 S349 V351 V374 F376 A385 K388M329-L345 HydrophobicContact CE-CD2 4.12Å; M329-L345 HydrophobicContact CE-CG 4.3Å; V341-L345 HydrophobicContact CG1-CD1 4.13Å; V341-L345 WeakPolarHBondContact O-CG 3.46Å; V341-L345 PolarHBondContact O-N 3.08Å; L342-L345 PolarHBondContact O-N 3.49Å; L345-S349 PolarHBondContact O-OG 3.4Å; L345-V351 HydrophobicContact CD1-CG2 3.47Å; L345-V351 VanDerWaalsContact CD1-CG2 3.47Å; L345-V374 HydrophobicContact CD1-CG1 3.8Å; L345-V374 HydrophobicContact CD1-CG2 4.32Å; L345-F376 HydrophobicContact CD1-CZ 4.17Å; L345-F376 HydrophobicContact CD2-CZ 4.23Å; L345-A385 HydrophobicContact CD2-CB 3.82Å; L345-K388 PolarHBondContact O-NZ 2.71Å
346G89Confident89.9Confident15 Ų1555.5 Ų55.516%0.15532%0.321CS..  trans68.2-179170.900000114.8L342 S343 E348 S349L342-G346 PolarHBondContact O-N 3.03Å; S343-G346 PolarHBondContact O-N 3.14Å; G346-E348 VanDerWaalsContact C-N 3.29Å; G346-E348 PolarHBondContact O-N 2.8Å; G346-S349 CarbonylContact O-C 3.56Å; G346-S349 PolarHBondContact O-N 2.91Å
347P88.9Confident89.6Confident131 Ų13154.8 Ų54.885%0.85132%0.316SS*.THydrogen-bonded Turntrans-70.4-19.4-16928.1-35.9000114.6S349P347-S349 PolarHBondContact O-N 3.16Å
348E86.6Confident89.6Confident125 Ų12552 Ų5258%0.58430%0.298SS*.THydrogen-bonded Turntrans-74.1-14.9177.6-59.1179.8153.300113.4G346 N384G346-E348 VanDerWaalsContact C-N 3.29Å; G346-E348 PolarHBondContact O-N 2.8Å; E348-N384 HydrophobicContact CB-CB 4.49Å; E348-N384 WeakPolarHBondContact O-CB 3.47Å; E348-N384 PolarHBondContact O-ND2 2.81Å
349S88.8Confident89.5Confident1 Ų150.6 Ų50.61%0.00729%0.289CS..SBendtrans-141.575177.253.30000110.1L345 G346 P347 Y381L345-S349 PolarHBondContact O-OG 3.4Å; G346-S349 CarbonylContact O-C 3.56Å; G346-S349 PolarHBondContact O-N 2.91Å; P347-S349 PolarHBondContact O-N 3.16Å; S349-Y381 WeakPolarHBondContact CB-O 3.34Å
350P89.3Confident89.4Confident55 Ų5546.4 Ų46.436%0.35727%0.269SS..PPolyproline II helixtrans-67.4132.1177.728.5-35.1000111.1F376 Y381P350-F376 WeakPolarHBondContact O-CD1 3.4Å; P350-Y381 HydrophobicContact CG-CD1 4.28Å; P350-Y381 HydrophobicContact CG-CD2 3.61Å; P350-Y381 HydrophobicContact CG-CE1 4.19Å; P350-Y381 HydrophobicContact CG-CE2 3.51Å; P350-Y381 HydrophobicContact CG-CG 4.01Å
351V90Very high89.3Confident15 Ų1542.6 Ų42.69%0.09125%0.251CS..PPolyproline II helixtrans-78.6137.3175.7179.30000109.7L342 L345 D353 G354 V374 F376L342-V351 HydrophobicContact CD2-CB 3.7Å; L342-V351 HydrophobicContact CD2-CG1 4.38Å; L342-V351 HydrophobicContact CD2-CG2 3.59Å; L345-V351 HydrophobicContact CD1-CG2 3.47Å; L345-V351 VanDerWaalsContact CD1-CG2 3.47Å; V351-D353 PolarHBondContact O-N 2.83Å; V351-G354 VanDerWaalsContact CG1-O 3.32Å; V351-G354 WeakPolarHBondContact CG1-O 3.39Å; V351-G354 PolarHBondContact O-N 2.98Å; V351-V374 HydrophobicContact CB-CG1 4.17Å; V351-V374 HydrophobicContact CG1-CG1 3.7Å; V351-V374 HydrophobicContact CG2-CG1 3.42Å; V351-V374 VanDerWaalsContact CG2-CG1 3.42Å; V351-F376 HydrophobicContact CG2-CE1 4.13Å; V351-F376 HydrophobicContact CG2-CZ 4.39Å
352T87.3Confident89.1Confident19 Ų1947.7 Ų47.712%0.11727%0.273CS..THydrogen-bonded Turntrans-59.9124.3179.7-470000110.5G354 G357 L375 F376 S377T352-G354 PolarHBondContact O-N 3.44Å; T352-G357 WeakPolarHBondContact O-CA 3.45Å; T352-G357 PolarHBondContact O-N 2.81Å; T352-L375 PolarHBondContact N-O 3.19Å; T352-L375 PolarHBondContact OG1-O 2.67Å; T352-F376 VanDerWaalsContact OG1-C 3.27Å; T352-S377 PolarHBondContact OG1-N 2.84Å
353D84.1Confident88.8Confident106 Ų10649.8 Ų49.857%0.56728%0.279SS*.THydrogen-bonded Turntrans56.316.1-175.2-56.255.6000114.6K321 V351 A355 E356K321-D353 IonicContact NZ-OD1 3.56Å; K321-D353 PolarHBondContact NZ-OD1 2.69Å; K321-D353 IonicContact NZ-OD2 3.46Å; K321-D353 PolarHBondContact NZ-OD2 3.03Å; V351-D353 PolarHBondContact O-N 2.83Å; D353-A355 PolarHBondContact O-N 2.78Å; D353-E356 HydrophobicContact CB-CB 4.03Å
354G85.3Confident88.3Confident22 Ų2249 Ų4923%0.22727%0.272CS..THydrogen-bonded Turntrans63.5-94.1177.400000113.6V351 T352V351-G354 VanDerWaalsContact CG1-O 3.32Å; V351-G354 WeakPolarHBondContact CG1-O 3.39Å; V351-G354 PolarHBondContact O-N 2.98Å; T352-G354 PolarHBondContact O-N 3.44Å
355A83.8Confident88Confident50 Ų5051.4 Ų51.441%0.41329%0.285SS..THydrogen-bonded Turntrans-73.1-41-176.600000112.9T338 D353 G357 L358T338-A355 HydrophobicContact CG2-CB 3.84Å; D353-A355 PolarHBondContact O-N 2.78Å; A355-G357 PolarHBondContact O-N 3.36Å; A355-L358 PolarHBondContact O-N 2.86Å; A355-L358 VanDerWaalsContact O-N 3.12Å
356E84.2Confident87.6Confident127 Ų12753.4 Ų53.459%0.59331%0.307SS*.THydrogen-bonded Turntrans-69.9-21.5-178-60.3-60.4114.900112.5D353 L358D353-E356 HydrophobicContact CB-CB 4.03Å; E356-L358 VanDerWaalsContact C-N 3.26Å; E356-L358 PolarHBondContact O-N 3.36Å
357G86.9Confident87.6Confident1 Ų159.9 Ų59.91%0.0133%0.326CS..THydrogen-bonded Turntrans-816.6172.400000115.1T352 A355 V374 L375T352-G357 WeakPolarHBondContact O-CA 3.45Å; T352-G357 PolarHBondContact O-N 2.81Å; A355-G357 PolarHBondContact O-N 3.36Å; G357-V374 CarbonylContact O-C 3.5Å; G357-V374 WeakPolarHBondContact O-CA 3.27Å; G357-L375 PolarHBondContact O-N 2.74Å
358L91.4Very high87.7Confident14 Ų1456 Ų567%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-124.6102.8-177.1-176.865.4000112.7T338 V341 A355 E356 F360 A372 F373 V374T338-L358 HydrophobicContact CG2-CD2 3.96Å; V341-L358 HydrophobicContact CB-CD2 3.75Å; V341-L358 HydrophobicContact CG1-CD1 3.8Å; V341-L358 HydrophobicContact CG1-CD2 3.6Å; V341-L358 HydrophobicContact CG1-CG 4.4Å; V341-L358 HydrophobicContact CG2-CD2 4.33Å; A355-L358 PolarHBondContact O-N 2.86Å; A355-L358 VanDerWaalsContact O-N 3.12Å; E356-L358 VanDerWaalsContact C-N 3.26Å; E356-L358 PolarHBondContact O-N 3.36Å; L358-F360 HydrophobicContact CD2-CD2 4.29Å; L358-F360 HydrophobicContact CD2-CE2 3.43Å; L358-F360 VanDerWaalsContact CD2-CE2 3.43Å; L358-F360 HydrophobicContact CD2-CZ 3.69Å; L358-F360 HydrophobicContact CG-CD2 4.2Å; L358-F360 HydrophobicContact CG-CE2 3.84Å; L358-F360 HydrophobicContact CG-CZ 4.33Å; L358-A372 HydrophobicContact CD1-CB 4.33Å; L358-F373 CarbonylContact C-O 3.52Å; L358-F373 WeakPolarHBondContact CA-O 3.37Å; L358-V374 HydrophobicContact CD1-CG2 3.82Å
359L91.1Very high87.9Confident16 Ų1650.9 Ų50.98%0.08428%0.279CS..EExtended strand (participates in β ladder)trans-98102.3179.4-179.357.2000111.5E314 F318 A372 F373 V408 L412E314-L359 HydrophobicContact CG-CD1 4.04Å; F318-L359 HydrophobicContact CB-CD2 4.1Å; F318-L359 HydrophobicContact CD1-CB 4.32Å; F318-L359 HydrophobicContact CD1-CD2 3.73Å; F318-L359 HydrophobicContact CD2-CB 3.64Å; F318-L359 HydrophobicContact CD2-CD2 4.17Å; F318-L359 HydrophobicContact CD2-CG 4.5Å; F318-L359 HydrophobicContact CE1-CB 4.13Å; F318-L359 HydrophobicContact CE1-CD2 4.11Å; F318-L359 HydrophobicContact CE2-CB 3.4Å; F318-L359 HydrophobicContact CG-CB 4.1Å; F318-L359 HydrophobicContact CG-CD2 3.76Å; F318-L359 HydrophobicContact CZ-CB 3.66Å; F318-L359 HydrophobicContact CZ-CD2 4.48Å; L359-A372 CarbonylContact O-C 3.54Å; L359-A372 VanDerWaalsContact O-CA 3.3Å; L359-A372 WeakPolarHBondContact O-CA 3.47Å; L359-F373 HydrophobicContact CB-CB 4.47Å; L359-F373 PolarHBondContact N-O 3.42Å; L359-F373 PolarHBondContact O-N 3.48Å; L359-V408 HydrophobicContact CD2-CG1 4.18Å; L359-L412 HydrophobicContact CD2-CD1 3.81Å
360F91.9Very high88Confident40 Ų4051.2 Ų51.218%0.17528%0.282CS..EExtended strand (participates in β ladder)trans-75.1123.6173.3-75.1-86.6000111.5L332 V341 L358 K362 A372L332-F360 HydrophobicContact CD1-CE1 4.26Å; V341-F360 HydrophobicContact CG2-CE1 4.22Å; V341-F360 HydrophobicContact CG2-CZ 3.96Å; L358-F360 HydrophobicContact CD2-CD2 4.29Å; L358-F360 HydrophobicContact CD2-CE2 3.43Å; L358-F360 VanDerWaalsContact CD2-CE2 3.43Å; L358-F360 HydrophobicContact CD2-CZ 3.69Å; L358-F360 HydrophobicContact CG-CD2 4.2Å; L358-F360 HydrophobicContact CG-CE2 3.84Å; L358-F360 HydrophobicContact CG-CZ 4.33Å; F360-K362 PolarHBondContact O-N 3.32Å; F360-A372 HydrophobicContact CD1-CB 4.14Å
361V90.3Very high88.1Confident1 Ų149 Ų491%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-78.3119177.5-177.70000109.3T369 D371 F373 V411 L412 Y415V361-T369 WeakPolarHBondContact CB-OG1 3.26Å; V361-T369 HydrophobicContact CG1-CG2 3.97Å; V361-T369 WeakPolarHBondContact O-CB 3.24Å; V361-T369 WeakPolarHBondContact O-CG2 3.27Å; V361-T369 PolarHBondContact O-N 3.14Å; V361-T369 PolarHBondContact O-OG1 3.43Å; V361-D371 HydrophobicContact CB-CB 4.27Å; V361-D371 WeakPolarHBondContact CB-O 3.18Å; V361-D371 HydrophobicContact CG2-CB 4.3Å; V361-D371 PolarHBondContact N-O 3.35Å; V361-F373 HydrophobicContact CG2-CD2 3.82Å; V361-F373 HydrophobicContact CG2-CE2 3.61Å; V361-V411 HydrophobicContact CB-CG1 4.39Å; V361-V411 HydrophobicContact CG1-CG1 3.8Å; V361-V411 HydrophobicContact CG2-CG1 3.82Å; V361-L412 HydrophobicContact CG1-CD2 4.14Å; V361-L412 HydrophobicContact CG2-CD2 4.29Å; V361-Y415 HydrophobicContact CG1-CD2 3.5Å; V361-Y415 VanDerWaalsContact CG1-CD2 3.5Å; V361-Y415 HydrophobicContact CG1-CE2 4.05Å; V361-Y415 HydrophobicContact CG1-CG 4.19Å
362K89.1Confident88.3Confident107 Ų10748.2 Ų48.247%0.46526%0.262SS..EExtended strand (participates in β ladder)trans-118.4157.2-178.9-65.2170.1-173.9169.40111.5F360 R367F360-K362 PolarHBondContact O-N 3.32Å; K362-R367 CarbonylContact C-O 3.6Å; K362-R367 VanDerWaalsContact CA-O 3.28Å; K362-R367 WeakPolarHBondContact CA-O 3.45Å
363Y87.5Confident88.6Confident83 Ų8347.3 Ų47.333%0.32526%0.257SS..  trans-73.7162.8164.6-71.6-81.4000110.7D365 G366 R367 T369 Y415Y363-D365 WeakPolarHBondContact CB-OD1 3.32Å; Y363-D365 PolarHBondContact O-N 2.89Å; Y363-D365 VanDerWaalsContact O-N 3.11Å; Y363-G366 WeakPolarHBondContact O-CA 3.41Å; Y363-G366 PolarHBondContact O-N 2.91Å; Y363-R367 HydrophobicContact CD2-CB 4.09Å; Y363-R367 WeakPolarHBondContact CD2-O 3.3Å; Y363-R367 PolarHBondContact N-O 3.18Å; Y363-T369 HydrophobicContact CD2-CG2 3.83Å; Y363-T369 HydrophobicContact CE2-CG2 3.72Å; Y363-T369 HydrophobicContact CG-CG2 4.37Å; Y363-Y415 HydrophobicContact CD1-CD1 4.06Å; Y363-Y415 AromaticContact CE1-CD1 3.57Å; Y363-Y415 HydrophobicContact CE1-CD1 3.57Å; Y363-Y415 HydrophobicContact CE1-CE1 4Å; Y363-Y415 AromaticContact CZ-CD1 3.88Å; Y363-Y415 AromaticContact CZ-CE1 3.89Å
364P83.9Confident89.1Confident75 Ų7542.3 Ų42.349%0.48723%0.23SC..THydrogen-bonded Turntrans-58.6-21.3176.4-27.536.5000115.2G366 Y415 M416P364-G366 VanDerWaalsContact C-N 3.27Å; P364-Y415 WeakPolarHBondContact CD-O 3.47Å; P364-M416 HydrophobicContact CG-SD 4.27Å
365D85.8Confident89.4Confident74 Ų7441.5 Ų41.540%0.39622%0.221SC..THydrogen-bonded Turntrans-86.38.6173.458.633.9000113.7Y363 R367Y363-D365 WeakPolarHBondContact CB-OD1 3.32Å; Y363-D365 PolarHBondContact O-N 2.89Å; Y363-D365 VanDerWaalsContact O-N 3.11Å; D365-R367 VanDerWaalsContact C-N 3.29Å; D365-R367 VanDerWaalsContact CG-NE 3.26Å; D365-R367 PolarHBondContact O-N 2.93Å; D365-R367 WeakPolarHBondContact OD1-CB 3.14Å; D365-R367 WeakPolarHBondContact OD1-CG 3.47Å; D365-R367 PolarHBondContact OD1-N 2.88Å; D365-R367 IonicContact OD1-NE 3.3Å; D365-R367 PolarHBondContact OD1-NE 2.86Å; D365-R367 VanDerWaalsContact OD1-NE 3.07Å; D365-R367 IonicContact OD2-CZ 2.73Å; D365-R367 IonicContact OD2-NE 3.41Å; D365-R367 PolarHBondContact OD2-NE 3.26Å; D365-R367 IonicContact OD2-NH2 2.7Å; D365-R367 PolarHBondContact OD2-NH2 3.26Å
366G85.2Confident89.8Confident44 Ų4439.1 Ų39.145%0.45420%0.201SC..SBendtrans81.6-7.4179.800000115.2Y363 P364Y363-G366 WeakPolarHBondContact O-CA 3.41Å; Y363-G366 PolarHBondContact O-N 2.91Å; P364-G366 VanDerWaalsContact C-N 3.27Å
367R88.9Confident90Very high151 Ų15136.4 Ų36.457%0.5720%0.196SC*.  trans-64.5137.3-179.6-69.4-178-68.6175.9-5.6111.5K362 Y363 D365K362-R367 CarbonylContact C-O 3.6Å; K362-R367 VanDerWaalsContact CA-O 3.28Å; K362-R367 WeakPolarHBondContact CA-O 3.45Å; Y363-R367 HydrophobicContact CD2-CB 4.09Å; Y363-R367 WeakPolarHBondContact CD2-O 3.3Å; Y363-R367 PolarHBondContact N-O 3.18Å; D365-R367 VanDerWaalsContact C-N 3.29Å; D365-R367 VanDerWaalsContact CG-NE 3.26Å; D365-R367 PolarHBondContact O-N 2.93Å; D365-R367 WeakPolarHBondContact OD1-CB 3.14Å; D365-R367 WeakPolarHBondContact OD1-CG 3.47Å; D365-R367 PolarHBondContact OD1-N 2.88Å; D365-R367 IonicContact OD1-NE 3.3Å; D365-R367 PolarHBondContact OD1-NE 2.86Å; D365-R367 VanDerWaalsContact OD1-NE 3.07Å; D365-R367 IonicContact OD2-CZ 2.73Å; D365-R367 IonicContact OD2-NE 3.41Å; D365-R367 PolarHBondContact OD2-NE 3.26Å; D365-R367 IonicContact OD2-NH2 2.7Å; D365-R367 PolarHBondContact OD2-NH2 3.26Å
368P90.5Very high90Very high49 Ų4938.4 Ų38.432%0.31821%0.209SC..EExtended strand (participates in β ladder)trans-73.1138.5177.928.8-32.6000111.5F334F334-P368 HydrophobicContact CB-CG 4Å; F334-P368 HydrophobicContact CD1-CG 4.44Å; F334-P368 VanDerWaalsContact O-CG 3.28Å; F334-P368 WeakPolarHBondContact O-CG 3.48Å
369T90.6Very high89.8Confident19 Ų1941.8 Ų41.812%0.11723%0.225CC..EExtended strand (participates in β ladder)trans-83.4-19.1179.362.20000113.9V361 Y363 D371 Y415V361-T369 WeakPolarHBondContact CB-OG1 3.26Å; V361-T369 HydrophobicContact CG1-CG2 3.97Å; V361-T369 WeakPolarHBondContact O-CB 3.24Å; V361-T369 WeakPolarHBondContact O-CG2 3.27Å; V361-T369 PolarHBondContact O-N 3.14Å; V361-T369 PolarHBondContact O-OG1 3.43Å; Y363-T369 HydrophobicContact CD2-CG2 3.83Å; Y363-T369 HydrophobicContact CE2-CG2 3.72Å; Y363-T369 HydrophobicContact CG-CG2 4.37Å; T369-D371 VanDerWaalsContact C-N 3.35Å; T369-D371 PolarHBondContact OG1-N 3.12Å; T369-Y415 HydrophobicContact CG2-CD1 3.59Å; T369-Y415 HydrophobicContact CG2-CD2 4.01Å; T369-Y415 HydrophobicContact CG2-CE1 3.69Å; T369-Y415 HydrophobicContact CG2-CE2 4.11Å; T369-Y415 HydrophobicContact CG2-CG 3.76Å
370G90.6Very high89.8Confident7 Ų747.2 Ų47.27%0.07225%0.249CC..EExtended strand (participates in β ladder)trans86.30.6-168.800000114.4R330 G331 L332R330-G370 CarbonylContact C-O 3.6Å; G331-G370 PolarHBondContact N-O 3.04Å; L332-G370 PolarHBondContact N-O 3.24Å
371D92.3Very high89.8Confident8 Ų849.2 Ų49.24%0.04326%0.256CS..EExtended strand (participates in β ladder)trans-102.9147.5167-75.20.2000110.5R328 M329 R330 V361 T369R328-D371 IonicContact CZ-OD2 3.89Å; R328-D371 IonicContact NE-OD2 3.18Å; R328-D371 PolarHBondContact NE-OD2 3.5Å; R328-D371 IonicContact NH2-OD2 2.76Å; R328-D371 PolarHBondContact NH2-OD2 2.7Å; M329-D371 WeakPolarHBondContact O-CA 3.32Å; R330-D371 WeakPolarHBondContact CB-OD1 3.46Å; R330-D371 WeakPolarHBondContact CG-OD1 3.49Å; R330-D371 IonicContact CZ-OD1 3.63Å; R330-D371 IonicContact CZ-OD2 2.88Å; R330-D371 VanDerWaalsContact CZ-OD2 3.28Å; R330-D371 VanDerWaalsContact NE-CG 3.29Å; R330-D371 IonicContact NE-OD1 2.74Å; R330-D371 PolarHBondContact NE-OD1 2.84Å; R330-D371 IonicContact NE-OD2 3.28Å; R330-D371 PolarHBondContact NE-OD2 3.12Å; R330-D371 IonicContact NH2-OD1 3.67Å; R330-D371 PolarHBondContact NH2-OD1 3.29Å; R330-D371 IonicContact NH2-OD2 2.82Å; R330-D371 PolarHBondContact NH2-OD2 2.98Å; V361-D371 HydrophobicContact CB-CB 4.27Å; V361-D371 WeakPolarHBondContact CB-O 3.18Å; V361-D371 HydrophobicContact CG2-CB 4.3Å; V361-D371 PolarHBondContact N-O 3.35Å; T369-D371 VanDerWaalsContact C-N 3.35Å; T369-D371 PolarHBondContact OG1-N 3.12Å
372A94.2Very high89.9Confident0 Ų049.1 Ų49.10%026%0.256CS..EExtended strand (participates in β ladder)trans-149164.4172.300000111.2R328 M329 L332 L358 L359 F360R328-A372 CarbonylContact C-O 3.58Å; R328-A372 WeakPolarHBondContact CA-O 3.24Å; M329-A372 PolarHBondContact N-O 3.34Å; M329-A372 PolarHBondContact O-N 3.46Å; L332-A372 HydrophobicContact CD1-CB 3.56Å; L358-A372 HydrophobicContact CD1-CB 4.33Å; L359-A372 CarbonylContact O-C 3.54Å; L359-A372 VanDerWaalsContact O-CA 3.3Å; L359-A372 WeakPolarHBondContact O-CA 3.47Å; F360-A372 HydrophobicContact CD1-CB 4.14Å
373F93.8Very high90Very high0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-122.1140.9173.6-63.1-82.4000111.2F318 I326 I327 R328 L358 L359 V361 S403 E407 V408 V411F318-F373 HydrophobicContact CE1-CB 3.86Å; F318-F373 HydrophobicContact CZ-CB 3.72Å; I326-F373 HydrophobicContact CG2-CB 4.28Å; I326-F373 HydrophobicContact CG2-CD1 4.19Å; I327-F373 CarbonylContact O-C 3.48Å; I327-F373 WeakPolarHBondContact O-CA 3.27Å; R328-F373 HydrophobicContact CB-CD1 3.75Å; R328-F373 HydrophobicContact CB-CE1 3.61Å; R328-F373 HydrophobicContact CG-CD1 3.95Å; R328-F373 HydrophobicContact CG-CE1 3.53Å; R328-F373 HydrophobicContact CG-CZ 4.05Å; L358-F373 CarbonylContact C-O 3.52Å; L358-F373 WeakPolarHBondContact CA-O 3.37Å; L359-F373 HydrophobicContact CB-CB 4.47Å; L359-F373 PolarHBondContact N-O 3.42Å; L359-F373 PolarHBondContact O-N 3.48Å; V361-F373 HydrophobicContact CG2-CD2 3.82Å; V361-F373 HydrophobicContact CG2-CE2 3.61Å; F373-S403 WeakPolarHBondContact CE1-OG 3.49Å; F373-E407 HydrophobicContact CE1-CG 4.45Å; F373-V408 HydrophobicContact CB-CG2 4.44Å; F373-V408 HydrophobicContact CD1-CG2 3.69Å; F373-V408 HydrophobicContact CD2-CG1 4.13Å; F373-V408 HydrophobicContact CD2-CG2 4.26Å; F373-V408 HydrophobicContact CE1-CB 4.46Å; F373-V408 HydrophobicContact CE1-CG2 3.85Å; F373-V408 HydrophobicContact CE2-CB 4.38Å; F373-V408 HydrophobicContact CE2-CG1 4.25Å; F373-V408 HydrophobicContact CE2-CG2 4.42Å; F373-V408 HydrophobicContact CG-CG1 4.48Å; F373-V408 HydrophobicContact CG-CG2 3.88Å; F373-V408 HydrophobicContact CZ-CB 4.35Å; F373-V408 HydrophobicContact CZ-CG2 4.22Å; F373-V411 HydrophobicContact CE2-CB 3.9Å; F373-V411 HydrophobicContact CE2-CG1 3.89Å; F373-V411 HydrophobicContact CE2-CG2 4.46Å; F373-V411 HydrophobicContact CZ-CB 3.73Å; F373-V411 HydrophobicContact CZ-CG1 4.05Å; F373-V411 HydrophobicContact CZ-CG2 3.81Å
374V94.1Very high90.3Very high1 Ų145.6 Ų45.61%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-124.2137.8-176.2-161.80000109.5I326 I327 M329 L345 V351 G357 L358 F376I326-V374 CarbonylContact C-O 3.58Å; I326-V374 WeakPolarHBondContact CA-O 3.33Å; I327-V374 PolarHBondContact N-O 3.33Å; I327-V374 PolarHBondContact O-N 3.23Å; M329-V374 HydrophobicContact CG-CG2 3.56Å; M329-V374 HydrophobicContact SD-CG2 3.5Å; M329-V374 VanDerWaalsContact SD-CG2 3.5Å; L345-V374 HydrophobicContact CD1-CG1 3.8Å; L345-V374 HydrophobicContact CD1-CG2 4.32Å; V351-V374 HydrophobicContact CB-CG1 4.17Å; V351-V374 HydrophobicContact CG1-CG1 3.7Å; V351-V374 HydrophobicContact CG2-CG1 3.42Å; V351-V374 VanDerWaalsContact CG2-CG1 3.42Å; G357-V374 CarbonylContact O-C 3.5Å; G357-V374 WeakPolarHBondContact O-CA 3.27Å; L358-V374 HydrophobicContact CD1-CG2 3.82Å; V374-F376 HydrophobicContact CB-CE2 3.79Å; V374-F376 HydrophobicContact CB-CZ 4.17Å; V374-F376 HydrophobicContact CG1-CD2 4.42Å; V374-F376 HydrophobicContact CG1-CE1 4.31Å; V374-F376 HydrophobicContact CG1-CE2 3.62Å; V374-F376 HydrophobicContact CG1-CZ 3.57Å
375L92.2Very high90.7Very high5 Ų542 Ų423%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-105.5132.4176.1-62.2168.7000111F318 L319 Q324 I326 T352 G357F318-L375 HydrophobicContact CD1-CD1 4.17Å; F318-L375 HydrophobicContact CD2-CD1 3.51Å; F318-L375 HydrophobicContact CD2-CG 4.26Å; F318-L375 HydrophobicContact CE1-CD1 4.04Å; F318-L375 HydrophobicContact CE1-CD2 3.9Å; F318-L375 HydrophobicContact CE1-CG 3.96Å; F318-L375 HydrophobicContact CE2-CD1 3.36Å; F318-L375 HydrophobicContact CE2-CD2 4.46Å; F318-L375 HydrophobicContact CE2-CG 3.62Å; F318-L375 HydrophobicContact CG-CD1 3.92Å; F318-L375 HydrophobicContact CZ-CD1 3.65Å; F318-L375 HydrophobicContact CZ-CD2 3.88Å; F318-L375 HydrophobicContact CZ-CG 3.45Å; F318-L375 VanDerWaalsContact CZ-CG 3.45Å; F318-L375 WeakPolarHBondContact O-CD1 3.29Å; L319-L375 HydrophobicContact CD2-CD2 4.28Å; Q324-L375 HydrophobicContact CB-CD2 4.38Å; I326-L375 HydrophobicContact CB-CD2 4.41Å; I326-L375 HydrophobicContact CG1-CD2 3.85Å; I326-L375 HydrophobicContact CG2-CD2 4.26Å; T352-L375 PolarHBondContact N-O 3.19Å; T352-L375 PolarHBondContact OG1-O 2.67Å; G357-L375 PolarHBondContact O-N 2.74Å
376F91.5Very high91.1Very high0 Ų040.2 Ų40.20%021%0.212CC..EExtended strand (participates in β ladder)trans-119139.7174.1-63-82.4000110.5Q324 V325 I327 L345 P350 V351 T352 V374 C378 A382 A385Q324-F376 WeakPolarHBondContact CA-O 3.49Å; V325-F376 PolarHBondContact N-O 3.03Å; V325-F376 PolarHBondContact O-N 2.86Å; I327-F376 HydrophobicContact CB-CE2 4.01Å; I327-F376 HydrophobicContact CD1-CD2 4.08Å; I327-F376 HydrophobicContact CD1-CE2 3.64Å; I327-F376 HydrophobicContact CD1-CZ 4.45Å; I327-F376 HydrophobicContact CG1-CD2 4.17Å; I327-F376 HydrophobicContact CG1-CE2 3.91Å; L345-F376 HydrophobicContact CD1-CZ 4.17Å; L345-F376 HydrophobicContact CD2-CZ 4.23Å; P350-F376 WeakPolarHBondContact O-CD1 3.4Å; V351-F376 HydrophobicContact CG2-CE1 4.13Å; V351-F376 HydrophobicContact CG2-CZ 4.39Å; T352-F376 VanDerWaalsContact OG1-C 3.27Å; V374-F376 HydrophobicContact CB-CE2 3.79Å; V374-F376 HydrophobicContact CB-CZ 4.17Å; V374-F376 HydrophobicContact CG1-CD2 4.42Å; V374-F376 HydrophobicContact CG1-CE1 4.31Å; V374-F376 HydrophobicContact CG1-CE2 3.62Å; V374-F376 HydrophobicContact CG1-CZ 3.57Å; F376-C378 PolarHBondContact O-N 3.24Å; F376-A382 HydrophobicContact CB-CB 4.14Å; F376-A382 HydrophobicContact CD2-CB 3.98Å; F376-A382 HydrophobicContact CG-CB 4.14Å; F376-A385 HydrophobicContact CE1-CB 4.14Å; F376-A385 HydrophobicContact CE2-CB 4.13Å; F376-A385 HydrophobicContact CZ-CB 3.6Å
377S88.8Confident91.5Very high70 Ų7044.9 Ų44.949%0.4922%0.22SC..SBendtrans-74.1-11.1-179.160.20000113.9T352T352-S377 PolarHBondContact OG1-N 2.84Å
378C86.9Confident91.7Very high42 Ų4239.2 Ų39.228%0.28420%0.199SC..SBendtrans-154.3163.6174.771.40000112.3F376 E380 Y381 A382F376-C378 PolarHBondContact O-N 3.24Å; C378-E380 VanDerWaalsContact C-N 3.3Å; C378-E380 PolarHBondContact O-N 2.83Å; C378-Y381 WeakPolarHBondContact SG-CD2 3.28Å; C378-A382 PolarHBondContact O-N 2.87Å
379E86.8Confident91.8Very high86 Ų8639.3 Ų39.340%0.40220%0.195SC..Hα-helixtrans-57.4-37.1175.6-179.872.7162.600113.4A382 Q383 R402E379-A382 PolarHBondContact O-N 2.9Å; E379-Q383 WeakPolarHBondContact O-CB 3.43Å; E379-Q383 PolarHBondContact O-N 2.66Å; E379-R402 IonicContact OE1-CZ 3.83Å; E379-R402 IonicContact OE1-NH1 3.18Å; E379-R402 PolarHBondContact OE1-NH1 3.25Å; E379-R402 IonicContact OE1-NH2 3.65Å; E379-R402 PolarHBondContact OE1-NH2 3.12Å; E379-R402 IonicContact OE2-CZ 2.74Å; E379-R402 IonicContact OE2-NH1 2.82Å; E379-R402 PolarHBondContact OE2-NH1 3.12Å; E379-R402 IonicContact OE2-NH2 2.69Å; E379-R402 PolarHBondContact OE2-NH2 3.28Å
380E90.6Very high92Very high129 Ų12944.5 Ų44.560%0.60322%0.216SC*.Hα-helixtrans-67.1-46.5-176-173.7179.917300112.2C378 A382 Q383 N384C378-E380 VanDerWaalsContact C-N 3.3Å; C378-E380 PolarHBondContact O-N 2.83Å; E380-A382 VanDerWaalsContact C-N 3.33Å; E380-A382 PolarHBondContact O-N 2.71Å; E380-Q383 CarbonylContact O-C 3.55Å; E380-Q383 PolarHBondContact O-N 3.08Å; E380-Q383 VanDerWaalsContact O-N 3.13Å; E380-N384 PolarHBondContact O-N 3.22Å
381Y92.8Very high92.1Very high82 Ų8248.5 Ų48.532%0.32223%0.233SC..Hα-helixtrans-64.4-39.1177.2-59.1-23.8000111.4S349 P350 C378 N384 A385S349-Y381 WeakPolarHBondContact CB-O 3.34Å; P350-Y381 HydrophobicContact CG-CD1 4.28Å; P350-Y381 HydrophobicContact CG-CD2 3.61Å; P350-Y381 HydrophobicContact CG-CE1 4.19Å; P350-Y381 HydrophobicContact CG-CE2 3.51Å; P350-Y381 HydrophobicContact CG-CG 4.01Å; C378-Y381 WeakPolarHBondContact SG-CD2 3.28Å; Y381-N384 PolarHBondContact O-N 3.09Å; Y381-A385 PolarHBondContact O-N 3.35Å
382A91.3Very high92.2Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-61.9-43171.500000111.6V325 I327 F376 C378 E379 E380 N384 A385 L386V325-A382 HydrophobicContact CB-CB 3.86Å; V325-A382 HydrophobicContact CG1-CB 3.46Å; V325-A382 VanDerWaalsContact CG1-CB 3.46Å; I327-A382 HydrophobicContact CD1-CB 3.97Å; I327-A382 VanDerWaalsContact CD1-O 3.3Å; I327-A382 WeakPolarHBondContact CD1-O 3.39Å; I327-A382 HydrophobicContact CG1-CB 4.43Å; F376-A382 HydrophobicContact CB-CB 4.14Å; F376-A382 HydrophobicContact CD2-CB 3.98Å; F376-A382 HydrophobicContact CG-CB 4.14Å; C378-A382 PolarHBondContact O-N 2.87Å; E379-A382 PolarHBondContact O-N 2.9Å; E380-A382 VanDerWaalsContact C-N 3.33Å; E380-A382 PolarHBondContact O-N 2.71Å; A382-N384 PolarHBondContact O-N 2.95Å; A382-A385 PolarHBondContact O-N 2.91Å; A382-L386 VanDerWaalsContact O-CG 3.3Å; A382-L386 WeakPolarHBondContact O-CG 3.43Å; A382-L386 PolarHBondContact O-N 3.02Å
383Q91.5Very high92.1Very high91 Ų9154.6 Ų54.643%0.42526%0.264SS..Hα-helixtrans-66.6-35.3177.8-162.568.35.500112.5E379 E380 L386 K387E379-Q383 WeakPolarHBondContact O-CB 3.43Å; E379-Q383 PolarHBondContact O-N 2.66Å; E380-Q383 CarbonylContact O-C 3.55Å; E380-Q383 PolarHBondContact O-N 3.08Å; E380-Q383 VanDerWaalsContact O-N 3.13Å; Q383-L386 PolarHBondContact O-N 2.98Å; Q383-K387 PolarHBondContact O-N 2.83Å
384N93.6Very high91.9Very high25 Ų2557.7 Ų57.713%0.13430%0.297CS..Hα-helixtrans-65.6-43.7171.9-73.1-18.4000111.7E348 E380 Y381 A382 L386 K387E348-N384 HydrophobicContact CB-CB 4.49Å; E348-N384 WeakPolarHBondContact O-CB 3.47Å; E348-N384 PolarHBondContact O-ND2 2.81Å; E380-N384 PolarHBondContact O-N 3.22Å; Y381-N384 PolarHBondContact O-N 3.09Å; A382-N384 PolarHBondContact O-N 2.95Å; N384-L386 VanDerWaalsContact C-N 3.33Å; N384-L386 PolarHBondContact O-N 2.98Å; N384-K387 WeakPolarHBondContact O-CB 3.33Å; N384-K387 PolarHBondContact O-N 3.41Å; N384-K387 WeakPolarHBondContact OD1-CE 3.37Å; N384-K387 PolarHBondContact OD1-NZ 3.46Å
385A93.9Very high91.6Very high0 Ų067.5 Ų67.50%034%0.339CS..Hα-helixtrans-59.3-42.3172.900000111.9I327 L345 F376 Y381 A382 K387 K388 L400I327-A385 HydrophobicContact CD1-CB 3.81Å; L345-A385 HydrophobicContact CD2-CB 3.82Å; F376-A385 HydrophobicContact CE1-CB 4.14Å; F376-A385 HydrophobicContact CE2-CB 4.13Å; F376-A385 HydrophobicContact CZ-CB 3.6Å; Y381-A385 PolarHBondContact O-N 3.35Å; A382-A385 PolarHBondContact O-N 2.91Å; A385-K387 VanDerWaalsContact C-N 3.25Å; A385-K387 PolarHBondContact O-N 2.87Å; A385-K388 WeakPolarHBondContact O-CB 3.38Å; A385-K388 PolarHBondContact O-N 3.13Å; A385-L400 WeakPolarHBondContact O-CD1 3.46Å
386L92.6Very high91.6Very high35 Ų3573.4 Ų73.418%0.18336%0.361CS..Hα-helixtrans-62.3-26.9178.8-69.7165.6000113.7I327 A382 Q383 N384 K388 H389 L400 R402I327-L386 HydrophobicContact CD1-CD1 4.4Å; I327-L386 HydrophobicContact CD1-CD2 3.97Å; I327-L386 HydrophobicContact CD1-CG 3.75Å; I327-L386 HydrophobicContact CG1-CD2 4.49Å; A382-L386 VanDerWaalsContact O-CG 3.3Å; A382-L386 WeakPolarHBondContact O-CG 3.43Å; A382-L386 PolarHBondContact O-N 3.02Å; Q383-L386 PolarHBondContact O-N 2.98Å; N384-L386 VanDerWaalsContact C-N 3.33Å; N384-L386 PolarHBondContact O-N 2.98Å; L386-K388 PolarHBondContact O-N 2.89Å; L386-K388 VanDerWaalsContact O-N 3.14Å; L386-H389 VanDerWaalsContact O-CB 3.25Å; L386-H389 WeakPolarHBondContact O-CB 3.35Å; L386-H389 PolarHBondContact O-N 2.71Å; L386-H389 VanDerWaalsContact O-N 3.09Å; L386-L400 HydrophobicContact CD2-CB 4.25Å; L386-R402 HydrophobicContact CD1-CG 3.57Å; L386-R402 HydrophobicContact CD2-CG 4.43Å
387K93.9Very high91.8Very high143 Ų14379.9 Ų79.962%0.62239%0.386SS*.THydrogen-bonded Turntrans-60.7-19.3171.3-62.1167.6-172.4168.70112.5Q383 N384 A385Q383-K387 PolarHBondContact O-N 2.83Å; N384-K387 WeakPolarHBondContact O-CB 3.33Å; N384-K387 PolarHBondContact O-N 3.41Å; N384-K387 WeakPolarHBondContact OD1-CE 3.37Å; N384-K387 PolarHBondContact OD1-NZ 3.46Å; A385-K387 VanDerWaalsContact C-N 3.25Å; A385-K387 PolarHBondContact O-N 2.87Å
388K93.1Very high92.1Very high32 Ų3276.5 Ų76.514%0.13936%0.363CS..THydrogen-bonded Turntrans-90.66.8177.6-55.1-171.8167.9178.60114.1F344 L345 A385 L386 K390 Q391 L400F344-K388 HydrophobicContact CE1-CB 4.25Å; F344-K388 HydrophobicContact CZ-CB 4.11Å; F344-K388 VanDerWaalsContact O-CD 3.24Å; F344-K388 WeakPolarHBondContact O-CD 3.43Å; F344-K388 PolarHBondContact O-NZ 2.79Å; L345-K388 PolarHBondContact O-NZ 2.71Å; A385-K388 WeakPolarHBondContact O-CB 3.38Å; A385-K388 PolarHBondContact O-N 3.13Å; L386-K388 PolarHBondContact O-N 2.89Å; L386-K388 VanDerWaalsContact O-N 3.14Å; K388-K390 PolarHBondContact O-N 3.2Å; K388-Q391 HydrophobicContact CB-CB 4.49Å; K388-Q391 HydrophobicContact CB-CG 4.26Å; K388-Q391 VanDerWaalsContact O-CB 3.31Å; K388-Q391 WeakPolarHBondContact O-CB 3.33Å; K388-Q391 WeakPolarHBondContact O-CG 3.19Å; K388-Q391 PolarHBondContact O-N 3.25Å; K388-L400 HydrophobicContact CB-CD1 4.09Å
389H93.4Very high92.3Very high50 Ų5076.8 Ų76.823%0.23136%0.36CS..THydrogen-bonded Turntrans-55.6129.8173.4178.6103.9000110.9L386 Q391 L400L386-H389 VanDerWaalsContact O-CB 3.25Å; L386-H389 WeakPolarHBondContact O-CB 3.35Å; L386-H389 PolarHBondContact O-N 2.71Å; L386-H389 VanDerWaalsContact O-N 3.09Å; H389-Q391 VanDerWaalsContact C-N 3.27Å; H389-Q391 PolarHBondContact O-N 3.1Å; H389-L400 HydrophobicContact CB-CB 4.25Å; H389-L400 PolarHBondContact ND1-N 3.18Å; H389-L400 PolarHBondContact ND1-O 2.72Å
390K93.2Very high92.7Very high128 Ų12872.7 Ų72.756%0.55734%0.341SS*.THydrogen-bonded Turntrans677-173-68.2162.4-178161.70116.5K388 I398K388-K390 PolarHBondContact O-N 3.2Å; K390-I398 WeakPolarHBondContact CA-O 3.42Å; K390-I398 PolarHBondContact N-O 2.83Å
391Q94.7Very high92.7Very high92 Ų9268.1 Ų68.143%0.4332%0.319SS..  trans-67.1159.6166.4-65.8-174.74.800111.2F344 K388 H389 Y397 I398F344-Q391 HydrophobicContact CE2-CB 3.75Å; F344-Q391 HydrophobicContact CZ-CB 4.02Å; K388-Q391 HydrophobicContact CB-CB 4.49Å; K388-Q391 HydrophobicContact CB-CG 4.26Å; K388-Q391 VanDerWaalsContact O-CB 3.31Å; K388-Q391 WeakPolarHBondContact O-CB 3.33Å; K388-Q391 WeakPolarHBondContact O-CG 3.19Å; K388-Q391 PolarHBondContact O-N 3.25Å; H389-Q391 VanDerWaalsContact C-N 3.27Å; H389-Q391 PolarHBondContact O-N 3.1Å; Q391-Y397 WeakPolarHBondContact O-CA 3.37Å; Q391-I398 PolarHBondContact O-N 2.93Å
392I93.2Very high92.5Very high124 Ų12466 Ų6664%0.63631%0.311SS*.EExtended strand (participates in β ladder)trans-93.3133.1-172.6-60.5174.6000110.9R396I392-R396 CarbonylContact C-O 3.53Å; I392-R396 VanDerWaalsContact CA-O 3.31Å; I392-R396 WeakPolarHBondContact CA-O 3.29Å
393L92.9Very high92.4Very high11 Ų1166.3 Ų66.36%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-119.1114.2165.5-161.7167.9000107.9L332 P333 A336 E340 V341 F344 K395 R396 I398L332-L393 HydrophobicContact CD2-CD1 3.98Å; P333-L393 HydrophobicContact CG-CD2 4.02Å; P333-L393 WeakPolarHBondContact CG-O 3.47Å; A336-L393 HydrophobicContact CB-CD2 4.44Å; E340-L393 HydrophobicContact CB-CD2 4.37Å; V341-L393 HydrophobicContact CG2-CD1 4.32Å; F344-L393 HydrophobicContact CB-CD1 3.79Å; F344-L393 HydrophobicContact CB-CG 4.33Å; F344-L393 HydrophobicContact CD1-CD1 4.49Å; F344-L393 HydrophobicContact CD2-CB 4.01Å; F344-L393 HydrophobicContact CD2-CD1 4.18Å; F344-L393 HydrophobicContact CD2-CG 4.26Å; F344-L393 HydrophobicContact CE2-CB 4.36Å; F344-L393 HydrophobicContact CG-CD1 3.92Å; F344-L393 HydrophobicContact CG-CG 4.45Å; L393-K395 PolarHBondContact O-N 2.88Å; L393-R396 PolarHBondContact N-O 2.99Å; L393-R396 PolarHBondContact O-N 2.82Å; L393-R396 VanDerWaalsContact O-N 3.14Å; L393-I398 HydrophobicContact CB-CD1 3.95Å; L393-I398 HydrophobicContact CB-CG1 3.59Å; L393-I398 HydrophobicContact CD1-CG1 4.47Å
394G88.2Confident92.2Very high66 Ų6662.2 Ų62.268%0.6829%0.294SS*.THydrogen-bonded Turntrans62.4-103.9-174.100000112.5
395K89.1Confident91.9Very high207 Ų20761.6 Ų61.690%0.929%0.292SS*.THydrogen-bonded Turntrans-118.120.4-180-61.1-175.9-179.2179.50113.1L393L393-K395 PolarHBondContact O-N 2.88Å
396R92.2Very high91.5Very high129 Ų12961.9 Ų61.949%0.48729%0.294SS..EExtended strand (participates in β ladder)trans-134.8135.5-173.1-61-69.8-69.9-169.5-2.9110.2G331 P333 I392 L393 I398G331-R396 WeakPolarHBondContact O-CB 3.28Å; G331-R396 PolarHBondContact O-NE 2.86Å; G331-R396 VanDerWaalsContact O-NE 3.08Å; P333-R396 HydrophobicContact CB-CG 4.47Å; P333-R396 HydrophobicContact CG-CB 4.18Å; P333-R396 HydrophobicContact CG-CG 3.85Å; I392-R396 CarbonylContact C-O 3.53Å; I392-R396 VanDerWaalsContact CA-O 3.31Å; I392-R396 WeakPolarHBondContact CA-O 3.29Å; L393-R396 PolarHBondContact N-O 2.99Å; L393-R396 PolarHBondContact O-N 2.82Å; L393-R396 VanDerWaalsContact O-N 3.14Å; R396-I398 HydrophobicContact CB-CD1 4.21Å
397Y94.2Very high91.3Very high135 Ų13560.3 Ų60.353%0.52929%0.286SS..EExtended strand (participates in β ladder)trans-74.1142161.764.5-95.3000109Q391 E399Q391-Y397 WeakPolarHBondContact O-CA 3.37Å; Y397-E399 HydrophobicContact CD2-CG 4.05Å; Y397-E399 HydrophobicContact CE2-CG 3.85Å
398I95.3Very high91Very high0 Ų053.5 Ų53.50%026%0.256CS..  trans-108.2123.1-177.3-53.9-52.2000110M329 L332 F344 K390 Q391 L393 R396 L400M329-I398 HydrophobicContact CB-CG2 4.24Å; M329-I398 HydrophobicContact CE-CG2 4.18Å; L332-I398 HydrophobicContact CD2-CD1 3.89Å; L332-I398 HydrophobicContact CD2-CG1 4.37Å; L332-I398 HydrophobicContact CD2-CG2 4.33Å; L332-I398 HydrophobicContact CG-CD1 4.38Å; F344-I398 HydrophobicContact CE1-CB 4.42Å; F344-I398 HydrophobicContact CE1-CG2 4.41Å; F344-I398 HydrophobicContact CE2-CG1 4.32Å; F344-I398 HydrophobicContact CZ-CB 3.95Å; F344-I398 HydrophobicContact CZ-CG1 4.21Å; F344-I398 HydrophobicContact CZ-CG2 4.42Å; K390-I398 WeakPolarHBondContact CA-O 3.42Å; K390-I398 PolarHBondContact N-O 2.83Å; Q391-I398 PolarHBondContact O-N 2.93Å; L393-I398 HydrophobicContact CB-CD1 3.95Å; L393-I398 HydrophobicContact CB-CG1 3.59Å; L393-I398 HydrophobicContact CD1-CG1 4.47Å; R396-I398 HydrophobicContact CB-CD1 4.21Å; I398-L400 HydrophobicContact CG2-CD2 3.8Å; I398-L400 HydrophobicContact CG2-CG 4.47Å
399E92.8Very high90.7Very high47 Ų4752.3 Ų52.322%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-91.3127.1176.1-53.1-175.7104.800109.7M329 R330 Y397 F401M329-E399 CarbonylContact C-O 3.48Å; M329-E399 WeakPolarHBondContact CA-O 3.44Å; R330-E399 HydrophobicContact CB-CB 4.32Å; R330-E399 PolarHBondContact N-O 3.01Å; R330-E399 PolarHBondContact O-N 2.93Å; Y397-E399 HydrophobicContact CD2-CG 4.05Å; Y397-E399 HydrophobicContact CE2-CG 3.85Å; E399-F401 HydrophobicContact CB-CD2 4.44Å; E399-F401 HydrophobicContact CB-CE2 3.43Å; E399-F401 VanDerWaalsContact CB-CE2 3.43Å; E399-F401 HydrophobicContact CB-CZ 3.69Å
400L93.2Very high90.4Very high1 Ų151.2 Ų51.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-115.2133.8-178.4-55.9178.1000110.8I327 R328 M329 F344 A385 L386 K388 H389 I398I327-L400 HydrophobicContact CG2-CB 4.12Å; I327-L400 HydrophobicContact CG2-CD2 4.34Å; R328-L400 WeakPolarHBondContact O-CA 3.33Å; M329-L400 HydrophobicContact CB-CD2 3.99Å; M329-L400 HydrophobicContact CE-CD2 3.66Å; M329-L400 HydrophobicContact CG-CD2 3.72Å; F344-L400 HydrophobicContact CE1-CD1 4.26Å; A385-L400 WeakPolarHBondContact O-CD1 3.46Å; L386-L400 HydrophobicContact CD2-CB 4.25Å; K388-L400 HydrophobicContact CB-CD1 4.09Å; H389-L400 HydrophobicContact CB-CB 4.25Å; H389-L400 PolarHBondContact ND1-N 3.18Å; H389-L400 PolarHBondContact ND1-O 2.72Å; I398-L400 HydrophobicContact CG2-CD2 3.8Å; I398-L400 HydrophobicContact CG2-CG 4.47Å
401F90.6Very high90.2Very high33 Ų3345.1 Ų45.115%0.14522%0.22CC..EExtended strand (participates in β ladder)trans-142135.4-178.4-50.2-89.5000111.6I327 R328 R330 E399 S403I327-F401 CarbonylContact C-O 3.59Å; I327-F401 WeakPolarHBondContact CA-O 3.37Å; R328-F401 PolarHBondContact N-O 3Å; R328-F401 PolarHBondContact O-N 2.82Å; R330-F401 HydrophobicContact CG-CD2 4.28Å; R330-F401 HydrophobicContact CG-CE2 4.06Å; E399-F401 HydrophobicContact CB-CD2 4.44Å; E399-F401 HydrophobicContact CB-CE2 3.43Å; E399-F401 VanDerWaalsContact CB-CE2 3.43Å; E399-F401 HydrophobicContact CB-CZ 3.69Å; F401-S403 PolarHBondContact O-N 2.8Å
402R89.6Confident89.8Confident38 Ų3841 Ų4114%0.14320%0.201CC..EExtended strand (participates in β ladder)trans-60.7120.1170.6-72.2-175.2173-131.45.3110.5R264 E379 L386R264-R402 PolarHBondContact NH1-O 3.23Å; R264-R402 PolarHBondContact NH2-O 3.38Å; E379-R402 IonicContact OE1-CZ 3.83Å; E379-R402 IonicContact OE1-NH1 3.18Å; E379-R402 PolarHBondContact OE1-NH1 3.25Å; E379-R402 IonicContact OE1-NH2 3.65Å; E379-R402 PolarHBondContact OE1-NH2 3.12Å; E379-R402 IonicContact OE2-CZ 2.74Å; E379-R402 IonicContact OE2-NH1 2.82Å; E379-R402 PolarHBondContact OE2-NH1 3.12Å; E379-R402 IonicContact OE2-NH2 2.69Å; E379-R402 PolarHBondContact OE2-NH2 3.28Å; L386-R402 HydrophobicContact CD1-CG 3.57Å; L386-R402 HydrophobicContact CD2-CG 4.43Å
403S89.6Confident89.3Confident5 Ų538 Ų384%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-110.7158-172-173.50000111.4I326 F373 F401 E407I326-S403 PolarHBondContact O-N 3.47Å; F373-S403 WeakPolarHBondContact CE1-OG 3.49Å; F401-S403 PolarHBondContact O-N 2.8Å; S403-E407 WeakPolarHBondContact OG-CB 3.25Å
404T87.7Confident88.9Confident5 Ų540.3 Ų40.33%0.03119%0.194CC..  trans-108.3166.417079.80000111.1D237 L256 A406 E407 V408D237-T404 HydrophobicContact CB-CG2 3.67Å; L256-T404 HydrophobicContact CD1-CG2 3.87Å; L256-T404 HydrophobicContact CG-CG2 3.87Å; T404-A406 VanDerWaalsContact C-N 3.25Å; T404-A406 PolarHBondContact O-N 3.44Å; T404-A406 PolarHBondContact OG1-N 3.03Å; T404-E407 PolarHBondContact O-N 2.92Å; T404-E407 PolarHBondContact OG1-N 3.46Å; T404-V408 PolarHBondContact O-N 3.03Å; T404-V408 VanDerWaalsContact O-N 3.14Å
405A85.6Confident88.5Confident12 Ų1238.8 Ų38.810%0.09917%0.168CC..Hα-helixtrans-54.3-41.5172.300000112.6G212 T213 L319 E407 V408 Q409G212-A405 VanDerWaalsContact O-CB 3.24Å; G212-A405 WeakPolarHBondContact O-CB 3.44Å; T213-A405 HydrophobicContact CG2-CB 3.92Å; L319-A405 HydrophobicContact CD1-CB 3.6Å; A405-E407 VanDerWaalsContact C-N 3.31Å; A405-E407 PolarHBondContact O-N 2.8Å; A405-V408 WeakPolarHBondContact O-CB 3.24Å; A405-V408 PolarHBondContact O-N 3.4Å; A405-Q409 PolarHBondContact O-N 2.99Å; A405-Q409 VanDerWaalsContact O-N 3.12Å
406A85.7Confident87.7Confident6 Ų633.6 Ų33.65%0.0515%0.148CC..Hα-helixtrans-63.6-34.6175.700000112.3A255 A308 T404 Q410A255-A406 HydrophobicContact CB-CB 3.9Å; A308-A406 HydrophobicContact CB-CB 4.18Å; T404-A406 VanDerWaalsContact C-N 3.25Å; T404-A406 PolarHBondContact O-N 3.44Å; T404-A406 PolarHBondContact OG1-N 3.03Å; A406-Q410 WeakPolarHBondContact O-CB 3.21Å; A406-Q410 VanDerWaalsContact O-CG 3.24Å; A406-Q410 WeakPolarHBondContact O-CG 3.35Å; A406-Q410 PolarHBondContact O-N 3.26Å; A406-Q410 PolarHBondContact O-NE2 2.94Å
407E88.8Confident86.2Confident2 Ų231.9 Ų31.91%0.00916%0.156CC..Hα-helixtrans-69.2-38.4175.2-177169.5171.900111.7L258 R264 R328 F373 S403 T404 A405 Q410 V411L258-E407 HydrophobicContact CD1-CG 4.03Å; L258-E407 HydrophobicContact CD2-CG 4.23Å; L258-E407 HydrophobicContact CG-CG 4.33Å; R264-E407 IonicContact CZ-OE2 2.67Å; R264-E407 VanDerWaalsContact CZ-OE2 3.24Å; R264-E407 IonicContact NE-OE1 3.77Å; R264-E407 IonicContact NE-OE2 2.8Å; R264-E407 PolarHBondContact NE-OE2 3.06Å; R264-E407 IonicContact NH2-OE1 2.72Å; R264-E407 IonicContact NH2-OE2 3.21Å; R264-E407 PolarHBondContact NH2-OE2 3.28Å; R328-E407 WeakPolarHBondContact CD-OE1 3.32Å; R328-E407 IonicContact CZ-OE1 2.74Å; R328-E407 IonicContact NE-OE1 2.81Å; R328-E407 IonicContact NH1-OE1 3.98Å; R328-E407 PolarHBondContact NH1-OE1 3.5Å; F373-E407 HydrophobicContact CE1-CG 4.45Å; S403-E407 WeakPolarHBondContact OG-CB 3.25Å; T404-E407 PolarHBondContact O-N 2.92Å; T404-E407 PolarHBondContact OG1-N 3.46Å; A405-E407 VanDerWaalsContact C-N 3.31Å; A405-E407 PolarHBondContact O-N 2.8Å; E407-Q410 PolarHBondContact O-N 3.38Å; E407-V411 HydrophobicContact CG-CG2 4.46Å; E407-V411 WeakPolarHBondContact O-CG2 3.27Å; E407-V411 PolarHBondContact O-N 2.77Å
408V88.8Confident84.2Confident0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-57.1-53.7173.2179.60000110.6V315 F318 I326 L359 F373 T404 A405 Q410 V411 L412V315-V408 HydrophobicContact CG1-CG1 4.17Å; V315-V408 HydrophobicContact CG2-CG1 4.34Å; F318-V408 HydrophobicContact CD1-CG1 4.33Å; F318-V408 HydrophobicContact CE1-CG1 4.42Å; F318-V408 HydrophobicContact CE1-CG2 4.41Å; I326-V408 HydrophobicContact CD1-CG2 4.15Å; I326-V408 HydrophobicContact CG2-CG2 4.06Å; L359-V408 HydrophobicContact CD2-CG1 4.18Å; F373-V408 HydrophobicContact CB-CG2 4.44Å; F373-V408 HydrophobicContact CD1-CG2 3.69Å; F373-V408 HydrophobicContact CD2-CG1 4.13Å; F373-V408 HydrophobicContact CD2-CG2 4.26Å; F373-V408 HydrophobicContact CE1-CB 4.46Å; F373-V408 HydrophobicContact CE1-CG2 3.85Å; F373-V408 HydrophobicContact CE2-CB 4.38Å; F373-V408 HydrophobicContact CE2-CG1 4.25Å; F373-V408 HydrophobicContact CE2-CG2 4.42Å; F373-V408 HydrophobicContact CG-CG1 4.48Å; F373-V408 HydrophobicContact CG-CG2 3.88Å; F373-V408 HydrophobicContact CZ-CB 4.35Å; F373-V408 HydrophobicContact CZ-CG2 4.22Å; T404-V408 PolarHBondContact O-N 3.03Å; T404-V408 VanDerWaalsContact O-N 3.14Å; A405-V408 WeakPolarHBondContact O-CB 3.24Å; A405-V408 PolarHBondContact O-N 3.4Å; V408-Q410 PolarHBondContact O-N 3.27Å; V408-V411 PolarHBondContact O-N 3.13Å; V408-L412 HydrophobicContact CG1-CD1 3.81Å; V408-L412 PolarHBondContact O-N 2.92Å; V408-L412 VanDerWaalsContact O-N 3.12Å
409Q85.7Confident81.7Confident7 Ų734.1 Ų34.13%0.03319%0.186CC..Hα-helixtrans-63.3-42-179.2-172.971.475.900112.3S312 A405 V411 N413S312-Q409 PolarHBondContact OG-NE2 2.89Å; A405-Q409 PolarHBondContact O-N 2.99Å; A405-Q409 VanDerWaalsContact O-N 3.12Å; Q409-V411 VanDerWaalsContact C-N 3.34Å; Q409-V411 PolarHBondContact O-N 3.48Å; Q409-N413 PolarHBondContact NE2-OD1 3.46Å; Q409-N413 VanDerWaalsContact O-CB 3.25Å; Q409-N413 WeakPolarHBondContact O-CB 3.36Å; Q409-N413 PolarHBondContact O-N 3.35Å
410Q87.7Confident79.1Confident28 Ų2837.8 Ų37.813%0.13121%0.206CC..Hα-helixtrans-61.9-37.8176.1-81.1172.182.200113.3L256 L258 I307 A406 E407 V408 R414L256-Q410 PolarHBondContact O-NE2 3.13Å; L258-Q410 HydrophobicContact CD1-CB 4.11Å; L258-Q410 VanDerWaalsContact N-OE1 3.12Å; I307-Q410 VanDerWaalsContact CG2-CD 3.5Å; I307-Q410 HydrophobicContact CG2-CG 4.22Å; A406-Q410 WeakPolarHBondContact O-CB 3.21Å; A406-Q410 VanDerWaalsContact O-CG 3.24Å; A406-Q410 WeakPolarHBondContact O-CG 3.35Å; A406-Q410 PolarHBondContact O-N 3.26Å; A406-Q410 PolarHBondContact O-NE2 2.94Å; E407-Q410 PolarHBondContact O-N 3.38Å; V408-Q410 PolarHBondContact O-N 3.27Å; Q410-R414 WeakPolarHBondContact O-CB 3.5Å; Q410-R414 PolarHBondContact O-N 2.93Å; Q410-R414 PolarHBondContact O-NH1 2.99Å; Q410-R414 VanDerWaalsContact O-NH1 3.08Å
411V88.7Confident76.6Confident0 Ų045.3 Ų45.30%025%0.245CC..Hα-helixtrans-69.9-49.1179.6169.70000110.3L258 V361 F373 E407 V408 Q409 R414 Y415L258-V411 HydrophobicContact CD1-CG2 3.52Å; V361-V411 HydrophobicContact CB-CG1 4.39Å; V361-V411 HydrophobicContact CG1-CG1 3.8Å; V361-V411 HydrophobicContact CG2-CG1 3.82Å; F373-V411 HydrophobicContact CE2-CB 3.9Å; F373-V411 HydrophobicContact CE2-CG1 3.89Å; F373-V411 HydrophobicContact CE2-CG2 4.46Å; F373-V411 HydrophobicContact CZ-CB 3.73Å; F373-V411 HydrophobicContact CZ-CG1 4.05Å; F373-V411 HydrophobicContact CZ-CG2 3.81Å; E407-V411 HydrophobicContact CG-CG2 4.46Å; E407-V411 WeakPolarHBondContact O-CG2 3.27Å; E407-V411 PolarHBondContact O-N 2.77Å; V408-V411 PolarHBondContact O-N 3.13Å; Q409-V411 VanDerWaalsContact C-N 3.34Å; Q409-V411 PolarHBondContact O-N 3.48Å; V411-R414 WeakPolarHBondContact O-CB 3.45Å; V411-R414 PolarHBondContact O-N 3.49Å; V411-Y415 HydrophobicContact CG1-CD2 4.05Å; V411-Y415 HydrophobicContact CG1-CE2 4.01Å; V411-Y415 VanDerWaalsContact O-CD2 3.25Å; V411-Y415 WeakPolarHBondContact O-CD2 3.46Å; V411-Y415 PolarHBondContact O-N 3.47Å
412L85.6Confident73.7Confident5 Ų548.1 Ų48.13%0.02627%0.269CS..Hα-helixtrans-64.7-44179.7-70.7157.3000111.9V315 L359 V361 V408 R414 Y415 M416V315-L412 HydrophobicContact CG2-CD1 3.4Å; L359-L412 HydrophobicContact CD2-CD1 3.81Å; V361-L412 HydrophobicContact CG1-CD2 4.14Å; V361-L412 HydrophobicContact CG2-CD2 4.29Å; V408-L412 HydrophobicContact CG1-CD1 3.81Å; V408-L412 PolarHBondContact O-N 2.92Å; V408-L412 VanDerWaalsContact O-N 3.12Å; L412-R414 VanDerWaalsContact C-N 3.29Å; L412-R414 PolarHBondContact O-N 2.86Å; L412-Y415 PolarHBondContact O-N 3.29Å; L412-M416 WeakPolarHBondContact O-CB 3.47Å; L412-M416 VanDerWaalsContact O-CG 3.28Å; L412-M416 WeakPolarHBondContact O-CG 3.34Å; L412-M416 PolarHBondContact O-N 3.13Å
413N83.6Confident71.1Confident61 Ų6152.8 Ų52.833%0.32630%0.301SS..Hα-helixtrans-57.3-40.5176.4-75.8-2.9000112.6Q409 S417Q409-N413 PolarHBondContact NE2-OD1 3.46Å; Q409-N413 VanDerWaalsContact O-CB 3.25Å; Q409-N413 WeakPolarHBondContact O-CB 3.36Å; Q409-N413 PolarHBondContact O-N 3.35Å; N413-S417 WeakPolarHBondContact O-CB 3.39Å; N413-S417 PolarHBondContact O-N 2.8Å; N413-S417 PolarHBondContact O-OG 3.06Å
414R83.9Confident68.3Low59 Ų5959.3 Ų59.322%0.22334%0.335CS..Hα-helixtrans-59.6-50.6176.9179.9-167.9-71.4825.4111.5N259 A260 Q410 V411 L412 S417 T418N259-R414 PolarHBondContact O-NH2 2.99Å; A260-R414 PolarHBondContact O-NE 2.8Å; Q410-R414 WeakPolarHBondContact O-CB 3.5Å; Q410-R414 PolarHBondContact O-N 2.93Å; Q410-R414 PolarHBondContact O-NH1 2.99Å; Q410-R414 VanDerWaalsContact O-NH1 3.08Å; V411-R414 WeakPolarHBondContact O-CB 3.45Å; V411-R414 PolarHBondContact O-N 3.49Å; L412-R414 VanDerWaalsContact C-N 3.29Å; L412-R414 PolarHBondContact O-N 2.86Å; R414-S417 PolarHBondContact O-N 3.22Å; R414-T418 PolarHBondContact O-N 3.12Å; R414-T418 PolarHBondContact O-OG1 3.29Å
415Y79.8Confident65.7Low34 Ų3464 Ų6413%0.13337%0.366CS..Hα-helixtrans-73.7-34-175.8-72.9-69.9000112.8V361 Y363 P364 T369 V411 L412 S417 T418V361-Y415 HydrophobicContact CG1-CD2 3.5Å; V361-Y415 VanDerWaalsContact CG1-CD2 3.5Å; V361-Y415 HydrophobicContact CG1-CE2 4.05Å; V361-Y415 HydrophobicContact CG1-CG 4.19Å; Y363-Y415 HydrophobicContact CD1-CD1 4.06Å; Y363-Y415 AromaticContact CE1-CD1 3.57Å; Y363-Y415 HydrophobicContact CE1-CD1 3.57Å; Y363-Y415 HydrophobicContact CE1-CE1 4Å; Y363-Y415 AromaticContact CZ-CD1 3.88Å; Y363-Y415 AromaticContact CZ-CE1 3.89Å; P364-Y415 WeakPolarHBondContact CD-O 3.47Å; T369-Y415 HydrophobicContact CG2-CD1 3.59Å; T369-Y415 HydrophobicContact CG2-CD2 4.01Å; T369-Y415 HydrophobicContact CG2-CE1 3.69Å; T369-Y415 HydrophobicContact CG2-CE2 4.11Å; T369-Y415 HydrophobicContact CG2-CG 3.76Å; V411-Y415 HydrophobicContact CG1-CD2 4.05Å; V411-Y415 HydrophobicContact CG1-CE2 4.01Å; V411-Y415 VanDerWaalsContact O-CD2 3.25Å; V411-Y415 WeakPolarHBondContact O-CD2 3.46Å; V411-Y415 PolarHBondContact O-N 3.47Å; L412-Y415 PolarHBondContact O-N 3.29Å; Y415-S417 VanDerWaalsContact C-N 3.29Å; Y415-S417 PolarHBondContact O-N 2.91Å; Y415-T418 PolarHBondContact O-OG1 3.43Å
416M71.9Confident63.2Low98 Ų9869.8 Ų69.848%0.48340%0.403SS..Hα-helixtrans-68-26.2172.9-67.1-65.2-179.200113.3P364 L412P364-M416 HydrophobicContact CG-SD 4.27Å; L412-M416 WeakPolarHBondContact O-CB 3.47Å; L412-M416 VanDerWaalsContact O-CG 3.28Å; L412-M416 WeakPolarHBondContact O-CG 3.34Å; L412-M416 PolarHBondContact O-N 3.13Å
417S61.9Low60.6Low94 Ų9474.5 Ų74.566%0.65744%0.435SS*.THydrogen-bonded Turntrans-99.2-0.5-176.4-58.30000114.7N413 R414 Y415 P419N413-S417 WeakPolarHBondContact O-CB 3.39Å; N413-S417 PolarHBondContact O-N 2.8Å; N413-S417 PolarHBondContact O-OG 3.06Å; R414-S417 PolarHBondContact O-N 3.22Å; Y415-S417 VanDerWaalsContact C-N 3.29Å; Y415-S417 PolarHBondContact O-N 2.91Å; S417-P419 WeakPolarHBondContact O-CD 3.34Å
418T52.5Low58.1Low67 Ų6780.4 Ų80.441%0.41147%0.473SS..PPolyproline II helixtrans-75119176.48.50000111.4R414 Y415R414-T418 PolarHBondContact O-N 3.12Å; R414-T418 PolarHBondContact O-OG1 3.29Å; Y415-T418 PolarHBondContact O-OG1 3.43Å
419P41.3Very low55.5Low115 Ų11588 Ų8875%0.74751%0.513SS*.PPolyproline II helixtrans-66.1140.6173.928.3-34.2000110.6S417 I421S417-P419 WeakPolarHBondContact O-CD 3.34Å; P419-I421 PolarHBondContact O-N 3.38Å
420L39.2Very low52.8Low124 Ų12494 Ų9465%0.64955%0.549SS*.PPolyproline II helixtrans-65.9120.4-178.6-59.5177.3000110.5S422L420-S422 PolarHBondContact O-N 3.31Å; L420-S422 VanDerWaalsContact O-N 3.15Å
421I39.8Very low50.6Low159 Ų15997.8 Ų97.882%0.81558%0.576SS**  trans-67.7111.9166.7-65.3174.9000107.3P419 T423P419-I421 PolarHBondContact O-N 3.38Å; I421-T423 PolarHBondContact O-N 3.31Å; I421-T423 VanDerWaalsContact O-N 3.15Å
422S29.4Very low47.6Very low92 Ų92105.8 Ų105.864%0.64362%0.618SS**  trans-67.6110-177.9-173.30000111.2L420 L424L420-S422 PolarHBondContact O-N 3.31Å; L420-S422 VanDerWaalsContact O-N 3.15Å; S422-L424 PolarHBondContact O-N 3.27Å
423T35.1Very low45.1Very low135 Ų135110.5 Ų110.583%0.82865%0.649SS**  trans-8579.3173.352.70000110.3I421I421-T423 PolarHBondContact O-N 3.31Å; I421-T423 VanDerWaalsContact O-N 3.15Å
424L31.3Very low43.1Very low142 Ų142113.8 Ų113.874%0.74367%0.671SS**  trans-110.8139.9167.3-73.9171.2000110.2S422S422-L424 PolarHBondContact O-N 3.27Å
425P33.9Very low40.5Very low105 Ų105118.5 Ų118.568%0.68270%0.7SS**  trans-70.9152.9177.830.5-34.9000111.5S427P425-S427 PolarHBondContact O-N 2.89Å
426P32.4Very low38Very low133 Ų133122.1 Ų122.186%0.86473%0.73SS**  trans-73.9114.7-178.729.2-34000112
427S31.4Very low36.1Very low104 Ų104123.8 Ų123.873%0.72775%0.746SS**PPolyproline II helixtrans-69.3149.5170.8-58.30000112P425P425-S427 PolarHBondContact O-N 2.89Å
428P35.4Very low34.9Very low126 Ų126125 Ų12582%0.81875%0.752SS**PPolyproline II helixtrans-66.1146.6177-19.132.4000113
429I35.3Very low34.7Very low161 Ų161127 Ų12783%0.82677%0.766SS**PPolyproline II helixtrans-90.5133.9179.8-61.3169.5000110.3
430V29.9Very low34.2Very low132 Ų132132 Ų13280%0.878%0.776SS**  trans-129.3126.3164.2-171.70000108.2
431P39.8Very low33.7Very low108 Ų108133.7 Ų133.770%0.70179%0.785SS**  trans-97.5139.2-172.335.4-33.3000113.9
432L26Very low33.5Very low167 Ų167131.6 Ų131.687%0.87478%0.782SS**  trans-163.2164.6164.1-97.6148.8000107.8
433P33.5Very low33.5Very low104 Ų104133.9 Ų133.968%0.67579%0.792SS**  -118.9153.8-129.613.210.9000118.3
434V41.5Very low33.6Very low130 Ų130132.5 Ų132.579%0.78879%0.794SS**  trans29.7145.7145.4-154.80000122
435L28.7Very low34.2Very low158 Ų158130.4 Ų130.483%0.82779%0.792SS**  trans85.1138176.1-68.5108.7000114.8
436S27.5Very low35.4Very low110 Ų110128.5 Ų128.577%0.76978%0.781SS**  cis-139164.410.7-60.20000113.3
437T33.3Very low37.6Very low133 Ų133125.6 Ų125.682%0.81676%0.761SS**  trans-81.3160.1168.645.90000112
438P35.4Very low40.1Very low121 Ų121125.9 Ų125.979%0.78675%0.746SS**  -147-155.587.245.5-25000112.8
439P48.8Very low42.7Very low109 Ų109120.3 Ų120.371%0.70871%0.709SS**  -133.3148.2-104.937.7-17.6000117.4
440F31.6Very low45.2Very low218 Ų218112.7 Ų112.796%0.95667%0.67SS**  trans-151.4157.9161.8-104.5-80.7000113.1
441L28.6Very low48.1Very low160 Ų160106.4 Ų106.484%0.83863%0.632SS**  trans-106.2173-177.6-69.8160.8000111.1
442P34.3Very low50.5Low116 Ų116103.3 Ų103.375%0.75361%0.606SS**  -128.6112.5-62.934-17.1000110.6
443T30.9Very low53.6Low140 Ų14095.4 Ų95.486%0.85957%0.565SS**  trans-77.9144.1167.743.50000110.4S445T443-S445 PolarHBondContact O-N 3.09Å
444A36.5Very low56.2Low105 Ų10596.3 Ų96.387%0.86856%0.555SS**  trans-63.3109.8178.100000110S446A444-S446 PolarHBondContact O-N 2.97Å
445S42.8Very low58.1Low99 Ų9991.2 Ų91.269%0.69253%0.529SS*.  trans-71.2101.7179.657.30000109.9T443 T447T443-S445 PolarHBondContact O-N 3.09Å; S445-T447 PolarHBondContact O-N 3.24Å
446S60.8Low60.9Low64 Ų6483.8 Ų83.845%0.44849%0.49SS..  trans-55.3102.9165.4172.10000109.6A444 R448 S528 E530A444-S446 PolarHBondContact O-N 2.97Å; S446-R448 PolarHBondContact O-N 3.07Å; S446-S528 WeakPolarHBondContact OG-CB 3.49Å; S446-S528 PolarHBondContact OG-OG 2.85Å; S446-E530 WeakPolarHBondContact CB-OE2 3.19Å; S446-E530 PolarHBondContact OG-OE2 3.06Å
447T77.4Confident63.6Low72 Ų7279.2 Ų79.244%0.44246%0.458SS..  trans-71.6121.7-178.548.70000109.2S445 D449S445-T447 PolarHBondContact O-N 3.24Å; T447-D449 PolarHBondContact O-N 2.8Å
448R85.1Confident65.9Low110 Ų11079.9 Ų79.942%0.41545%0.446SS..  trans-85.358.3179-51-162.794.4169.66.9111S446 C450 A505 Q526 C527 E531S446-R448 PolarHBondContact O-N 3.07Å; R448-C450 VanDerWaalsContact C-N 3.31Å; R448-A505 WeakPolarHBondContact O-CB 3.43Å; R448-Q526 HydrophobicContact CB-CG 3.95Å; R448-Q526 WeakPolarHBondContact O-CG 3.3Å; R448-Q526 PolarHBondContact O-NE2 3.24Å; R448-C527 CarbonylContact C-O 3.57Å; R448-C527 VanDerWaalsContact C-O 3.23Å; R448-C527 WeakPolarHBondContact CA-O 3.39Å; R448-E531 IonicContact CZ-OE2 2.76Å; R448-E531 IonicContact NE-OE2 2.69Å; R448-E531 IonicContact NH2-OE1 2.63Å; R448-E531 PolarHBondContact NH2-OE1 2.9Å; R448-E531 IonicContact NH2-OE2 2.65Å; R448-E531 PolarHBondContact NH2-OE2 3.35Å
449D88.6Confident68.1Low10 Ų1079.9 Ų79.95%0.05344%0.444CS..  trans-86.92.7-179.175.6-40.5000113.4T447 K477 M499 T529T447-D449 PolarHBondContact O-N 2.8Å; D449-K477 IonicContact OD2-NZ 2.64Å; D449-K477 PolarHBondContact OD2-NZ 2.76Å; D449-M499 WeakPolarHBondContact O-CA 3.4Å; D449-M499 VanDerWaalsContact O-CB 3.3Å; D449-M499 WeakPolarHBondContact O-CB 3.25Å; D449-M499 PolarHBondContact O-N 3.25Å; D449-T529 PolarHBondContact OD1-OG1 3.43Å
450C87.9Confident69.6Low0 Ų074.9 Ų74.90%041%0.412CS..EExtended strand (participates in β ladder)trans-106.3155.1178.9-660000112.6R448 I497 C527 T529R448-C450 VanDerWaalsContact C-N 3.31Å; C450-I497 CarbonylContact C-O 3.59Å; C450-I497 VanDerWaalsContact CA-O 3.3Å; C450-I497 WeakPolarHBondContact CA-O 3.23Å; C450-C527 CarbonylContact C-O 3.55Å; C450-C527 WeakPolarHBondContact CA-O 3.42Å; C450-C527 WeakPolarHBondContact CB-O 3.2Å; C450-C527 WeakPolarHBondContact CB-SG 3.3Å; C450-C527 PolarHBondContact N-O 2.65Å; C450-C527 PolarHBondContact O-N 2.74Å; C450-T529 VanDerWaalsContact SG-CA 3.59Å; C450-T529 PolarHBondContact SG-OG1 3.48Å; C450-T529 VanDerWaalsContact SG-OG1 3.34Å
451V91Very high72.1Confident0 Ų066 Ų660%038%0.382CS..EExtended strand (participates in β ladder)trans-126.6126.8173.7-179.50000109L453 F496 I497 M499 A505 V508 V524 F525V451-L453 HydrophobicContact CG1-CD2 4.39Å; V451-F496 CarbonylContact O-C 3.23Å; V451-F496 WeakPolarHBondContact O-CA 3.17Å; V451-I497 HydrophobicContact CB-CB 4.45Å; V451-I497 PolarHBondContact N-O 2.81Å; V451-I497 PolarHBondContact O-N 2.99Å; V451-M499 HydrophobicContact CG2-CG 4Å; V451-A505 HydrophobicContact CG2-CB 3.74Å; V451-A505 WeakPolarHBondContact CG2-O 3.49Å; V451-V508 HydrophobicContact CG1-CG1 4.22Å; V451-V508 HydrophobicContact CG2-CB 4.44Å; V451-V508 HydrophobicContact CG2-CG1 4.28Å; V451-V524 HydrophobicContact CG1-CG1 3.32Å; V451-F525 CarbonylContact C-O 3.55Å; V451-F525 WeakPolarHBondContact CA-O 3.48Å
452R90.9Very high74.7Confident44 Ų4462.6 Ų62.617%0.16636%0.364CS..EExtended strand (participates in β ladder)trans-96125.3170.7-176-179.8175.8-173.60.3109.6D494 A495 F496 V524 F525 L541R452-D494 IonicContact CZ-OD2 3.53Å; R452-D494 VanDerWaalsContact CZ-OD2 3.24Å; R452-D494 IonicContact NE-OD2 2.65Å; R452-D494 PolarHBondContact NE-OD2 3.36Å; R452-D494 IonicContact NH2-OD2 2.74Å; R452-D494 PolarHBondContact NH2-OD2 2.76Å; R452-A495 CarbonylContact C-O 3.54Å; R452-A495 WeakPolarHBondContact CA-O 3.42Å; R452-F496 HydrophobicContact CB-CD1 3.92Å; R452-F496 HydrophobicContact CB-CE1 3.7Å; R452-F496 HydrophobicContact CB-CZ 4.35Å; R452-F496 HydrophobicContact CG-CD1 4.19Å; R452-F496 HydrophobicContact CG-CE1 3.71Å; R452-F496 HydrophobicContact CG-CE2 4.41Å; R452-F496 HydrophobicContact CG-CZ 3.83Å; R452-V524 WeakPolarHBondContact O-CA 3.35Å; R452-F525 PolarHBondContact N-O 3.03Å; R452-F525 PolarHBondContact O-N 3.29Å; R452-L541 PolarHBondContact NH1-O 2.96Å
453L90.4Very high77.1Confident1 Ų165 Ų651%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-95.4139.7165.7-56.8-176.9000109.2V451 L456 I465 F468 D494 A495 I497 V522 V524V451-L453 HydrophobicContact CG1-CD2 4.39Å; L453-L456 HydrophobicContact CB-CD1 3.85Å; L453-L456 HydrophobicContact CB-CD2 4.11Å; L453-L456 HydrophobicContact CB-CG 4.01Å; L453-L456 HydrophobicContact CD1-CD1 4.22Å; L453-L456 HydrophobicContact CD1-CD2 4Å; L453-I465 HydrophobicContact CD1-CG1 4.33Å; L453-I465 HydrophobicContact CD1-CG2 3.76Å; L453-F468 HydrophobicContact CD2-CE1 4.19Å; L453-D494 VanDerWaalsContact O-CA 3.3Å; L453-D494 WeakPolarHBondContact O-CA 3.34Å; L453-A495 HydrophobicContact CB-CB 4.5Å; L453-A495 PolarHBondContact N-O 2.74Å; L453-A495 PolarHBondContact O-N 2.88Å; L453-I497 HydrophobicContact CD1-CD1 3.56Å; L453-I497 HydrophobicContact CD2-CD1 4.33Å; L453-I497 HydrophobicContact CG-CD1 3.8Å; L453-V522 HydrophobicContact CB-CG1 4.1Å; L453-V522 HydrophobicContact CD2-CG1 4.17Å; L453-V524 HydrophobicContact CD2-CB 4.21Å; L453-V524 HydrophobicContact CD2-CG1 3.82Å; L453-V524 HydrophobicContact CD2-CG2 3.58Å
454R88.2Confident79.7Confident122 Ų12259.6 Ų59.646%0.4633%0.331SS..EExtended strand (participates in β ladder)trans-140.2136.6179.2171.8173.2-165.9-121.65.7110.6D494 E523R454-D494 WeakPolarHBondContact CG-OD1 3.45Å; R454-E523 HydrophobicContact CB-CB 4.26Å; R454-E523 IonicContact CZ-OE2 2.84Å; R454-E523 PolarHBondContact N-O 2.82Å; R454-E523 IonicContact NH1-OE2 2.71Å; R454-E523 PolarHBondContact NH1-OE2 3.08Å; R454-E523 PolarHBondContact O-N 2.99Å
455G82.4Confident82.2Confident24 Ų2454.6 Ų54.625%0.24729%0.289CS..SBendtrans926.3-177.700000114.7G493 R520G455-G493 PolarHBondContact N-O 3.18Å; G455-R520 PolarHBondContact O-NE 2.75Å; G455-R520 PolarHBondContact O-NH2 2.8Å
456L86.5Confident84.2Confident2 Ų253.1 Ų53.11%0.0127%0.274CS..  trans-50.5132.3173.9-62.1173.5000110.3L453 A460 I465 G493 A495 M517 R520 V522L453-L456 HydrophobicContact CB-CD1 3.85Å; L453-L456 HydrophobicContact CB-CD2 4.11Å; L453-L456 HydrophobicContact CB-CG 4.01Å; L453-L456 HydrophobicContact CD1-CD1 4.22Å; L453-L456 HydrophobicContact CD1-CD2 4Å; L456-A460 HydrophobicContact CB-CB 4.47Å; L456-I465 HydrophobicContact CD1-CD1 3.91Å; L456-I465 HydrophobicContact CD1-CG1 4.3Å; L456-I465 HydrophobicContact CD2-CG1 4.4Å; L456-G493 WeakPolarHBondContact CB-O 3.41Å; L456-G493 PolarHBondContact N-O 3.15Å; L456-G493 VanDerWaalsContact O-CA 3.3Å; L456-G493 WeakPolarHBondContact O-CA 3.17Å; L456-A495 HydrophobicContact CD1-CB 3.55Å; L456-M517 HydrophobicContact CD2-CE 3.52Å; L456-M517 HydrophobicContact CD2-SD 3.57Å; L456-M517 VanDerWaalsContact CD2-SD 3.57Å; L456-R520 PolarHBondContact O-NH2 3.2Å; L456-V522 HydrophobicContact CD2-CG1 3.88Å; L456-V522 HydrophobicContact CD2-CG2 3.98Å; L456-V522 HydrophobicContact CG-CG1 4.49Å
457P84.6Confident85.4Confident14 Ų1457.3 Ų57.39%0.09129%0.286CS..  trans-50.4144.8176-27.234000112.3T459 A460 M517 K518 R520P457-T459 PolarHBondContact O-N 2.85Å; P457-T459 VanDerWaalsContact O-N 3.09Å; P457-A460 HydrophobicContact CB-CB 4.21Å; P457-A460 WeakPolarHBondContact O-CB 3.48Å; P457-A460 PolarHBondContact O-N 2.76Å; P457-M517 HydrophobicContact CG-CG 4.42Å; P457-M517 WeakPolarHBondContact CG-O 3.47Å; P457-K518 HydrophobicContact CG-CB 4.37Å; P457-R520 HydrophobicContact CG-CB 4.43Å; P457-R520 HydrophobicContact CG-CG 4.43Å
458Y80.8Confident85.8Confident147 Ų14754.3 Ų54.358%0.57627%0.267SS*.THydrogen-bonded Turntrans-67.2-12.1-178.8-59.8-59.8000113.9P491Y458-P491 WeakPolarHBondContact CD1-O 3.28Å
459T81.6Confident85.7Confident120 Ų12049.3 Ų49.374%0.73625%0.248SC*.THydrogen-bonded Turntrans-100.28.5172.350.30000113.1P457P457-T459 PolarHBondContact O-N 2.85Å; P457-T459 VanDerWaalsContact O-N 3.09Å
460A81.7Confident85.4Confident5 Ų550.5 Ų50.54%0.04126%0.262CS..  trans-80124.9-179.900000111.9L456 P457 D464 M483 M517L456-A460 HydrophobicContact CB-CB 4.47Å; P457-A460 HydrophobicContact CB-CB 4.21Å; P457-A460 WeakPolarHBondContact O-CB 3.48Å; P457-A460 PolarHBondContact O-N 2.76Å; A460-D464 VanDerWaalsContact CA-OD2 3.23Å; A460-D464 WeakPolarHBondContact CA-OD2 3.2Å; A460-D464 HydrophobicContact CB-CB 4.37Å; A460-M483 WeakPolarHBondContact O-CE 3.48Å; A460-M517 HydrophobicContact CB-SD 3.85Å
461G82.4Confident85.1Confident31 Ų3157 Ų5732%0.3229%0.293SS..  trans-90.5-179.4174.600000113.4E463 D464 I465G461-E463 VanDerWaalsContact C-N 3.26Å; G461-E463 PolarHBondContact O-N 3.02Å; G461-D464 PolarHBondContact N-OD2 3.31Å; G461-D464 PolarHBondContact O-N 3.3Å; G461-I465 PolarHBondContact O-N 3.39Å
462I83.6Confident84.7Confident89 Ų8958.4 Ų58.446%0.45630%0.299SS..Hα-helixtrans-64.4-36.5172.7-62.2172.6000110.3D464 I465 L466 V481 M483I462-D464 PolarHBondContact O-N 3.28Å; I462-I465 WeakPolarHBondContact O-CB 3.28Å; I462-I465 PolarHBondContact O-N 3.27Å; I462-I465 VanDerWaalsContact O-N 3.17Å; I462-L466 HydrophobicContact CG2-CD1 4.29Å; I462-L466 HydrophobicContact CG2-CG 4.49Å; I462-L466 WeakPolarHBondContact O-CG 3.19Å; I462-L466 PolarHBondContact O-N 3.11Å; I462-V481 HydrophobicContact CG2-CG1 4.39Å; I462-M483 HydrophobicContact CG1-CG 4.42Å
463E84.9Confident84.3Confident165 Ų16558.6 Ų58.677%0.77131%0.306SS*.Hα-helixtrans-56.7-47.4176.1-69.1151-159.500112.1G461 I465 L466 E467G461-E463 VanDerWaalsContact C-N 3.26Å; G461-E463 PolarHBondContact O-N 3.02Å; E463-I465 VanDerWaalsContact C-N 3.28Å; E463-I465 PolarHBondContact O-N 2.87Å; E463-L466 PolarHBondContact O-N 2.92Å; E463-L466 VanDerWaalsContact O-N 3.17Å; E463-E467 PolarHBondContact O-N 3.2Å
464D86.1Confident83.8Confident27 Ų2763.7 Ų63.714%0.14434%0.337CS..Hα-helixtrans-60.6-36.7176.8-64.1-53.4000112.4A460 G461 I462 F468 M517 K518A460-D464 VanDerWaalsContact CA-OD2 3.23Å; A460-D464 WeakPolarHBondContact CA-OD2 3.2Å; A460-D464 HydrophobicContact CB-CB 4.37Å; G461-D464 PolarHBondContact N-OD2 3.31Å; G461-D464 PolarHBondContact O-N 3.3Å; I462-D464 PolarHBondContact O-N 3.28Å; D464-F468 WeakPolarHBondContact O-CB 3.43Å; D464-F468 PolarHBondContact O-N 2.86Å; D464-M517 HydrophobicContact CB-CE 4.4Å; D464-M517 HydrophobicContact CB-SD 4.23Å; D464-M517 WeakPolarHBondContact O-CE 3.43Å; D464-K518 WeakPolarHBondContact OD1-CE 3.35Å; D464-K518 IonicContact OD1-NZ 2.9Å; D464-K518 PolarHBondContact OD1-NZ 3.37Å; D464-K518 IonicContact OD2-NZ 2.62Å; D464-K518 PolarHBondContact OD2-NZ 3.34Å
465I87.4Confident83.6Confident0 Ų059.3 Ų59.30%032%0.322CS..Hα-helixtrans-68.6-40178.4-66.5168.2000110.5L453 L456 G461 I462 E463 F468 M469 V481 M483 A495 I497 M517L453-I465 HydrophobicContact CD1-CG1 4.33Å; L453-I465 HydrophobicContact CD1-CG2 3.76Å; L456-I465 HydrophobicContact CD1-CD1 3.91Å; L456-I465 HydrophobicContact CD1-CG1 4.3Å; L456-I465 HydrophobicContact CD2-CG1 4.4Å; G461-I465 PolarHBondContact O-N 3.39Å; I462-I465 WeakPolarHBondContact O-CB 3.28Å; I462-I465 PolarHBondContact O-N 3.27Å; I462-I465 VanDerWaalsContact O-N 3.17Å; E463-I465 VanDerWaalsContact C-N 3.28Å; E463-I465 PolarHBondContact O-N 2.87Å; I465-F468 PolarHBondContact O-N 3.49Å; I465-M469 HydrophobicContact CG2-SD 4.37Å; I465-M469 WeakPolarHBondContact O-CG 3.41Å; I465-M469 PolarHBondContact O-N 3.07Å; I465-V481 HydrophobicContact CD1-CG1 4.48Å; I465-V481 HydrophobicContact CG2-CG1 4.47Å; I465-M483 HydrophobicContact CD1-CE 4.48Å; I465-M483 HydrophobicContact CD1-SD 3.48Å; I465-M483 WeakPolarHBondContact CD1-SD 3.32Å; I465-A495 HydrophobicContact CD1-CB 4.16Å; I465-I497 HydrophobicContact CG2-CD1 4.03Å; I465-M517 HydrophobicContact CG1-CE 4.09Å
466L86.2Confident83.8Confident69 Ų6958.9 Ų58.936%0.36131%0.314SS..Hα-helixtrans-65.9-45.1176-65.1172.6000111.2I462 E463 F468 M469 G470 T473 I476I462-L466 HydrophobicContact CG2-CD1 4.29Å; I462-L466 HydrophobicContact CG2-CG 4.49Å; I462-L466 WeakPolarHBondContact O-CG 3.19Å; I462-L466 PolarHBondContact O-N 3.11Å; E463-L466 PolarHBondContact O-N 2.92Å; E463-L466 VanDerWaalsContact O-N 3.17Å; L466-F468 VanDerWaalsContact C-N 3.35Å; L466-F468 PolarHBondContact O-N 3.04Å; L466-M469 PolarHBondContact O-N 2.86Å; L466-G470 PolarHBondContact O-N 3.05Å; L466-T473 HydrophobicContact CB-CG2 3.98Å; L466-T473 HydrophobicContact CD2-CG2 3.73Å; L466-T473 HydrophobicContact CG-CG2 4.48Å; L466-T473 WeakPolarHBondContact O-CG2 3.2Å; L466-I476 HydrophobicContact CD2-CD1 3.82Å
467E85.9Confident83.7Confident152 Ų15262 Ų6271%0.7133%0.327SS*.Hα-helixtrans-60.5-43.5174.1-173.5-177-164.100111.7E463 M469 G470E463-E467 PolarHBondContact O-N 3.2Å; E467-M469 VanDerWaalsContact C-N 3.3Å; E467-M469 PolarHBondContact O-N 3.18Å; E467-G470 PolarHBondContact O-N 3.39Å
468F85.8Confident83.2Confident9 Ų967.5 Ų67.54%0.03936%0.361CS..Hα-helixtrans-61.3-36.3177.6174-94.6000113L453 D464 I465 L466 C512 K515 M517 V522 V524L453-F468 HydrophobicContact CD2-CE1 4.19Å; D464-F468 WeakPolarHBondContact O-CB 3.43Å; D464-F468 PolarHBondContact O-N 2.86Å; I465-F468 PolarHBondContact O-N 3.49Å; L466-F468 VanDerWaalsContact C-N 3.35Å; L466-F468 PolarHBondContact O-N 3.04Å; F468-C512 HydrophobicContact CE1-CB 3.75Å; F468-C512 HydrophobicContact CZ-CB 4.01Å; F468-C512 WeakPolarHBondContact CZ-O 3.41Å; F468-K515 HydrophobicContact CD2-CD 3.95Å; F468-K515 HydrophobicContact CD2-CG 4.19Å; F468-K515 HydrophobicContact CE2-CB 3.64Å; F468-K515 HydrophobicContact CE2-CD 3.75Å; F468-K515 HydrophobicContact CE2-CG 3.65Å; F468-K515 HydrophobicContact CZ-CB 3.94Å; F468-K515 HydrophobicContact CZ-CD 4.32Å; F468-K515 HydrophobicContact CZ-CG 4.37Å; F468-K515 PolarHBondContact O-NZ 2.94Å; F468-M517 HydrophobicContact CB-CE 3.41Å; F468-M517 VanDerWaalsContact CB-CE 3.41Å; F468-M517 HydrophobicContact CD1-CE 4.14Å; F468-M517 HydrophobicContact CD2-CB 3.92Å; F468-M517 HydrophobicContact CD2-CE 3.99Å; F468-M517 HydrophobicContact CE2-CB 4.28Å; F468-M517 HydrophobicContact CG-CE 3.61Å; F468-V522 HydrophobicContact CE1-CB 4.47Å; F468-V522 HydrophobicContact CE1-CG1 4.38Å; F468-V522 HydrophobicContact CE2-CB 4.05Å; F468-V522 HydrophobicContact CE2-CG2 3.96Å; F468-V522 HydrophobicContact CZ-CB 3.71Å; F468-V522 HydrophobicContact CZ-CG1 4.08Å; F468-V522 HydrophobicContact CZ-CG2 4.07Å; F468-V524 HydrophobicContact CE1-CG2 4.21Å; F468-V524 HydrophobicContact CZ-CG2 4.27Å
469M82.6Confident82.8Confident5 Ų569.3 Ų69.33%0.02537%0.374CS..Hα-helixtrans-78.9-30.2175.2-71.8-17768.400113.9I465 L466 E467 E471 H472 T473 I476 I497 M499 V508I465-M469 HydrophobicContact CG2-SD 4.37Å; I465-M469 WeakPolarHBondContact O-CG 3.41Å; I465-M469 PolarHBondContact O-N 3.07Å; L466-M469 PolarHBondContact O-N 2.86Å; E467-M469 VanDerWaalsContact C-N 3.3Å; E467-M469 PolarHBondContact O-N 3.18Å; M469-E471 PolarHBondContact O-N 3.39Å; M469-H472 HydrophobicContact CE-CB 4.3Å; M469-H472 PolarHBondContact O-CD2 2.92Å; M469-H472 PolarHBondContact O-N 2.92Å; M469-T473 HydrophobicContact CB-CG2 3.94Å; M469-I476 HydrophobicContact CE-CD1 3.65Å; M469-I476 HydrophobicContact CE-CG1 3.71Å; M469-I476 HydrophobicContact SD-CD1 3.63Å; M469-I476 HydrophobicContact SD-CG1 4.35Å; M469-I497 HydrophobicContact CE-CD1 4.43Å; M469-I497 HydrophobicContact CE-CG2 4.25Å; M469-I497 HydrophobicContact SD-CD1 3.48Å; M469-I497 WeakPolarHBondContact SD-CD1 3.49Å; M469-I497 HydrophobicContact SD-CG1 4.35Å; M469-I497 HydrophobicContact SD-CG2 4.27Å; M469-M499 HydrophobicContact CE-CE 4.11Å; M469-M499 HydrophobicContact CE-SD 3.93Å; M469-V508 HydrophobicContact CE-CG1 4.18Å; M469-V508 HydrophobicContact CE-CG2 4.3Å
470G83.5Confident82.8Confident34 Ų3463.8 Ų63.835%0.35134%0.341SS..G310 helixtrans55.1-118.8177.500000113.1L466 E467 H472 T473L466-G470 PolarHBondContact O-N 3.05Å; E467-G470 PolarHBondContact O-N 3.39Å; G470-H472 PolarHBondContact O-N 2.66Å; G470-T473 WeakPolarHBondContact O-CB 3.42Å; G470-T473 VanDerWaalsContact O-CG2 3.28Å; G470-T473 WeakPolarHBondContact O-CG2 3.21Å; G470-T473 PolarHBondContact O-N 3.07Å; G470-T473 VanDerWaalsContact O-N 3.09Å; G470-T473 PolarHBondContact O-OG1 3.3Å
471E81.3Confident82.9Confident137 Ų13764.9 Ų64.964%0.6435%0.347SS*.G310 helixtrans-51-30.7-178.5-57.1163.6142.700114M469 T473 K511M469-E471 PolarHBondContact O-N 3.39Å; E471-T473 VanDerWaalsContact C-N 3.3Å; E471-T473 PolarHBondContact O-N 2.93Å; E471-K511 IonicContact OE2-NZ 3.61Å; E471-K511 PolarHBondContact OE2-NZ 3Å
472H82.9Confident83.1Confident29 Ų2966.5 Ų66.513%0.13435%0.347CS..G310 helixtrans-83.9-2.3-174.6-57.2-75.2000113.7M469 G470 V474 D475 L507 V508 K511M469-H472 HydrophobicContact CE-CB 4.3Å; M469-H472 PolarHBondContact O-CD2 2.92Å; M469-H472 PolarHBondContact O-N 2.92Å; G470-H472 PolarHBondContact O-N 2.66Å; H472-V474 PolarHBondContact O-N 3.37Å; H472-D475 PolarHBondContact O-N 2.94Å; H472-D475 VanDerWaalsContact O-N 3.13Å; H472-L507 WeakPolarHBondContact CE1-CD2 3.23Å; H472-V508 HydrophobicContact CB-CG2 3.45Å; H472-V508 VanDerWaalsContact CB-CG2 3.45Å; H472-K511 WeakPolarHBondContact NE2-CD 3.13Å; H472-K511 VanDerWaalsContact NE2-CE 3.29Å; H472-K511 WeakPolarHBondContact NE2-CE 3.47Å; H472-K511 PolarHBondContact NE2-NZ 2.82Å
473T81.5Confident83.1Confident49 Ų4964.5 Ų64.530%0.30134%0.336SS..G310 helixtrans-61.1-31.5175.550.60000112.9L466 M469 G470 E471 D475 I476L466-T473 HydrophobicContact CB-CG2 3.98Å; L466-T473 HydrophobicContact CD2-CG2 3.73Å; L466-T473 HydrophobicContact CG-CG2 4.48Å; L466-T473 WeakPolarHBondContact O-CG2 3.2Å; M469-T473 HydrophobicContact CB-CG2 3.94Å; G470-T473 WeakPolarHBondContact O-CB 3.42Å; G470-T473 VanDerWaalsContact O-CG2 3.28Å; G470-T473 WeakPolarHBondContact O-CG2 3.21Å; G470-T473 PolarHBondContact O-N 3.07Å; G470-T473 VanDerWaalsContact O-N 3.09Å; G470-T473 PolarHBondContact O-OG1 3.3Å; E471-T473 VanDerWaalsContact C-N 3.3Å; E471-T473 PolarHBondContact O-N 2.93Å; T473-D475 PolarHBondContact O-N 3.45Å; T473-I476 HydrophobicContact CG2-CD1 4.34Å; T473-I476 WeakPolarHBondContact O-CG1 3.44Å; T473-I476 PolarHBondContact O-N 3.25Å
474V80.6Confident82.9Confident108 Ų10857.6 Ų57.666%0.65531%0.305SS*.G310 helixtrans-62.4-27176.7-173.60000111.9H472 K500H472-V474 PolarHBondContact O-N 3.37Å; V474-K500 PolarHBondContact O-NZ 3.39Å
475D83.6Confident82.6Confident30 Ų3061 Ų6116%0.1632%0.323CS..G310 helixtrans-86.7-2.6-179.7-68.8-62.2000114.3H472 T473 M499 K500 K504H472-D475 PolarHBondContact O-N 2.94Å; H472-D475 VanDerWaalsContact O-N 3.13Å; T473-D475 PolarHBondContact O-N 3.45Å; D475-M499 HydrophobicContact CB-CE 3.52Å; D475-M499 CarbonylContact O-C 3.6Å; D475-M499 WeakPolarHBondContact O-CA 3.34Å; D475-K500 WeakPolarHBondContact O-CB 3.42Å; D475-K500 WeakPolarHBondContact O-CG 3.4Å; D475-K500 PolarHBondContact O-N 2.91Å; D475-K504 HydrophobicContact CB-CB 4.13Å; D475-K504 HydrophobicContact CB-CG 4.12Å; D475-K504 IonicContact OD1-NZ 2.61Å; D475-K504 PolarHBondContact OD1-NZ 3.27Å; D475-K504 WeakPolarHBondContact OD2-CD 3.43Å; D475-K504 IonicContact OD2-NZ 2.71Å; D475-K504 PolarHBondContact OD2-NZ 2.9Å
476I86.7Confident82Confident14 Ų1465.3 Ų65.37%0.07235%0.346CS..EExtended strand (participates in β ladder)trans-77.1144176.7-49.7172.2000109.9L466 M469 T473 V481 I497 M499 K500L466-I476 HydrophobicContact CD2-CD1 3.82Å; M469-I476 HydrophobicContact CE-CD1 3.65Å; M469-I476 HydrophobicContact CE-CG1 3.71Å; M469-I476 HydrophobicContact SD-CD1 3.63Å; M469-I476 HydrophobicContact SD-CG1 4.35Å; T473-I476 HydrophobicContact CG2-CD1 4.34Å; T473-I476 WeakPolarHBondContact O-CG1 3.44Å; T473-I476 PolarHBondContact O-N 3.25Å; I476-V481 HydrophobicContact CD1-CG2 4.44Å; I476-V481 HydrophobicContact CG2-CG2 4.08Å; I476-I497 HydrophobicContact CB-CG2 4.45Å; I476-I497 HydrophobicContact CD1-CG2 4.13Å; I476-I497 HydrophobicContact CG1-CG2 3.94Å; I476-I497 HydrophobicContact CG2-CG2 3.72Å; I476-M499 HydrophobicContact CG1-CE 4.43Å; I476-M499 HydrophobicContact CG1-SD 4.07Å; I476-K500 WeakPolarHBondContact O-CE 3.48Å; I476-K500 PolarHBondContact O-NZ 2.86Å
477K83.5Confident81.2Confident67 Ų6771.3 Ų71.329%0.29137%0.372SS..EExtended strand (participates in β ladder)trans-71150170.2-72.5168.4175.9165.20111D449 H479 G480 Q498 M499 K500D449-K477 IonicContact OD2-NZ 2.64Å; D449-K477 PolarHBondContact OD2-NZ 2.76Å; K477-H479 PolarHBondContact O-N 3.39Å; K477-G480 PolarHBondContact O-N 2.95Å; K477-Q498 HydrophobicContact CD-CB 4.16Å; K477-Q498 HydrophobicContact CD-CG 3.72Å; K477-Q498 PolarHBondContact N-O 3.03Å; K477-Q498 VanDerWaalsContact NZ-CD 3.26Å; K477-M499 WeakPolarHBondContact CE-O 3.34Å; K477-M499 PolarHBondContact NZ-O 2.83Å; K477-K500 HydrophobicContact CG-CG 4.03Å
478T73.7Confident80.4Confident131 Ų13170.7 Ų70.780%0.80437%0.369SS*.EExtended strand (participates in β ladder)trans-56.4126.7175.945.50000111G480T478-G480 PolarHBondContact O-N 3.35Å
479H73.9Confident79.4Confident184 Ų18474.9 Ų74.985%0.85240%0.399SS*.EExtended strand (participates in β ladder)trans60.411.3-171.7-53.4-75.1000116.1K477 V481K477-H479 PolarHBondContact O-N 3.39Å; H479-V481 PolarHBondContact O-N 2.87Å
480G80.1Confident79Confident4 Ų483 Ų834%0.04143%0.43CS..EExtended strand (participates in β ladder)trans-75.323.2-17600000116.1K477 T478 I497 Q498K477-G480 PolarHBondContact O-N 2.95Å; T478-G480 PolarHBondContact O-N 3.35Å; G480-I497 CarbonylContact O-C 3.57Å; G480-I497 VanDerWaalsContact O-CA 3.24Å; G480-I497 WeakPolarHBondContact O-CA 3.41Å; G480-Q498 PolarHBondContact O-N 3.38Å
481V85.4Confident78.7Confident28 Ų2883.4 Ų83.417%0.1743%0.427CS..EExtended strand (participates in β ladder)trans-114.4117.7177-176.50000109.2I462 I465 I476 H479 I497I462-V481 HydrophobicContact CG2-CG1 4.39Å; I465-V481 HydrophobicContact CD1-CG1 4.48Å; I465-V481 HydrophobicContact CG2-CG1 4.47Å; I476-V481 HydrophobicContact CD1-CG2 4.44Å; I476-V481 HydrophobicContact CG2-CG2 4.08Å; H479-V481 PolarHBondContact O-N 2.87Å; V481-I497 HydrophobicContact CG1-CG1 4.43Å; V481-I497 HydrophobicContact CG2-CG1 4.43Å; V481-I497 HydrophobicContact CG2-CG2 4.46Å
482H85.4Confident78.6Confident65 Ų6579.2 Ų79.230%0.30141%0.412SS..EExtended strand (participates in β ladder)trans-123.7105.9-170.2-56.3-95.5000110.3A495 F496 M532 L536H482-A495 CarbonylContact O-C 3.52Å; H482-A495 WeakPolarHBondContact O-CA 3.49Å; H482-F496 HydrophobicContact CB-CB 4.48Å; H482-F496 PolarHBondContact N-O 2.99Å; H482-F496 PolarHBondContact O-N 2.67Å; H482-M532 HydrophobicContact CB-CE 4.44Å; H482-M532 WeakPolarHBondContact CD2-CE 3.19Å; H482-M532 WeakPolarHBondContact NE2-CE 3.36Å; H482-L536 HydrophobicContact CB-CD1 4.09Å; H482-L536 HydrophobicContact CB-CD2 4.24Å
483M84.4Confident78.5Confident48 Ų4878 Ų7824%0.23641%0.408CS..EExtended strand (participates in β ladder)trans-73.8129.2175.1-67.5-65.9-80.200110.4A460 I462 I465 L485 P491 A495A460-M483 WeakPolarHBondContact O-CE 3.48Å; I462-M483 HydrophobicContact CG1-CG 4.42Å; I465-M483 HydrophobicContact CD1-CE 4.48Å; I465-M483 HydrophobicContact CD1-SD 3.48Å; I465-M483 WeakPolarHBondContact CD1-SD 3.32Å; M483-L485 PolarHBondContact O-N 2.95Å; M483-P491 HydrophobicContact CE-CB 4.32Å; M483-A495 HydrophobicContact SD-CB 3.89Å
484V81.3Confident78.7Confident20 Ų2076.8 Ų76.812%0.12140%0.399CS..EExtended strand (participates in β ladder)trans-80.6112.9172.5-175.40000108.4S492 D494 F496 V535 L536V484-S492 WeakPolarHBondContact O-CB 3.3Å; V484-S492 PolarHBondContact O-N 3.15Å; V484-D494 HydrophobicContact CB-CB 4.07Å; V484-D494 WeakPolarHBondContact CB-O 3.45Å; V484-D494 HydrophobicContact CG2-CB 3.97Å; V484-D494 PolarHBondContact N-O 2.83Å; V484-F496 HydrophobicContact CG2-CD2 3.79Å; V484-F496 HydrophobicContact CG2-CE2 3.71Å; V484-V535 HydrophobicContact CG2-CG1 4.49Å; V484-L536 HydrophobicContact CG2-CD2 4.45Å
485L79.5Confident79.2Confident99 Ų9971.6 Ų71.652%0.51837%0.368SS..EExtended strand (participates in β ladder)trans-92.5142.9172.8-56.3-176.9000110.5M483 R490 P491M483-L485 PolarHBondContact O-N 2.95Å; L485-R490 WeakPolarHBondContact CA-O 3.44Å; L485-P491 HydrophobicContact CD2-CG 4.38Å
486N73.4Confident79.5Confident89 Ų8970.2 Ų70.248%0.47636%0.36SS..  trans-78.8169.6171-164.7-0.3000110.2Q488 S489 R490N486-Q488 PolarHBondContact O-N 3.04Å; N486-S489 WeakPolarHBondContact O-CA 3.41Å; N486-S489 PolarHBondContact O-N 3.18Å; N486-R490 PolarHBondContact N-O 3.46Å
487Q70.4Confident79.7Confident196 Ų19669.5 Ų69.592%0.91636%0.357SS*.THydrogen-bonded Turntrans-56.2-19.3-178.2-65.9179.4-17.200114.5S489Q487-S489 VanDerWaalsContact C-N 3.35Å
488Q69.7Low80Confident138 Ų13868.3 Ų68.365%0.64535%0.352SS*.THydrogen-bonded Turntrans-95.924.6175.1-60.4176.3-13.300112.8N486 R490N486-Q488 PolarHBondContact O-N 3.04Å; Q488-R490 PolarHBondContact O-N 3.39Å
489S64.6Low80.8Confident97 Ų9762 Ų6268%0.67831%0.314SS*.SBendtrans51.710.5-175.261.60000117.5N486 Q487N486-S489 WeakPolarHBondContact O-CA 3.41Å; N486-S489 PolarHBondContact O-N 3.18Å; Q487-S489 VanDerWaalsContact C-N 3.35Å
490R73Confident81.4Confident175 Ų17559.3 Ų59.366%0.6630%0.3SS*.SBendtrans-84.8147.8175.9-67.3175.4-175.6-163.8-0.7112L485 N486 Q488 S492L485-R490 WeakPolarHBondContact CA-O 3.44Å; N486-R490 PolarHBondContact N-O 3.46Å; Q488-R490 PolarHBondContact O-N 3.39Å; R490-S492 PolarHBondContact O-N 3.29Å
491P77.9Confident81.7Confident44 Ų4460.6 Ų60.629%0.28631%0.308SS..EExtended strand (participates in β ladder)trans-55131.1174.1-25.935000112.9Y458 M483 L485 G493Y458-P491 WeakPolarHBondContact CD1-O 3.28Å; M483-P491 HydrophobicContact CE-CB 4.32Å; L485-P491 HydrophobicContact CD2-CG 4.38Å; P491-G493 VanDerWaalsContact C-N 3.3Å
492S79.8Confident81.8Confident49 Ų4961.7 Ų61.734%0.34332%0.316SS..EExtended strand (participates in β ladder)trans-79.5-13.1179.7-159.40000113.1V484 R490 D494V484-S492 WeakPolarHBondContact O-CB 3.3Å; V484-S492 PolarHBondContact O-N 3.15Å; R490-S492 PolarHBondContact O-N 3.29Å; S492-D494 VanDerWaalsContact C-N 3.34Å
493G80.3Confident81.9Confident4 Ų464.1 Ų64.14%0.04133%0.331CS..EExtended strand (participates in β ladder)trans85.17.7-170.300000114.1G455 L456 P491G455-G493 PolarHBondContact N-O 3.18Å; L456-G493 WeakPolarHBondContact CB-O 3.41Å; L456-G493 PolarHBondContact N-O 3.15Å; L456-G493 VanDerWaalsContact O-CA 3.3Å; L456-G493 WeakPolarHBondContact O-CA 3.17Å; P491-G493 VanDerWaalsContact C-N 3.3Å
494D86.3Confident82.1Confident22 Ų2265.3 Ų65.312%0.11834%0.335CS..EExtended strand (participates in β ladder)trans-117.2145.9173.7-87.135.5000109.8R452 L453 R454 V484 S492R452-D494 IonicContact CZ-OD2 3.53Å; R452-D494 VanDerWaalsContact CZ-OD2 3.24Å; R452-D494 IonicContact NE-OD2 2.65Å; R452-D494 PolarHBondContact NE-OD2 3.36Å; R452-D494 IonicContact NH2-OD2 2.74Å; R452-D494 PolarHBondContact NH2-OD2 2.76Å; L453-D494 VanDerWaalsContact O-CA 3.3Å; L453-D494 WeakPolarHBondContact O-CA 3.34Å; R454-D494 WeakPolarHBondContact CG-OD1 3.45Å; V484-D494 HydrophobicContact CB-CB 4.07Å; V484-D494 WeakPolarHBondContact CB-O 3.45Å; V484-D494 HydrophobicContact CG2-CB 3.97Å; V484-D494 PolarHBondContact N-O 2.83Å; S492-D494 VanDerWaalsContact C-N 3.34Å
495A89.4Confident82.4Confident0 Ų064.4 Ų64.40%033%0.329CS..EExtended strand (participates in β ladder)trans-146.7157.7172.600000111.1R452 L453 L456 I465 H482 M483R452-A495 CarbonylContact C-O 3.54Å; R452-A495 WeakPolarHBondContact CA-O 3.42Å; L453-A495 HydrophobicContact CB-CB 4.5Å; L453-A495 PolarHBondContact N-O 2.74Å; L453-A495 PolarHBondContact O-N 2.88Å; L456-A495 HydrophobicContact CD1-CB 3.55Å; I465-A495 HydrophobicContact CD1-CB 4.16Å; H482-A495 CarbonylContact O-C 3.52Å; H482-A495 WeakPolarHBondContact O-CA 3.49Å; M483-A495 HydrophobicContact SD-CB 3.89Å
496F91.2Very high82.8Confident0 Ų064.5 Ų64.50%033%0.326CS..EExtended strand (participates in β ladder)trans-119.7142.5173.6-68-94000110.8V451 R452 H482 V484 M532 V535V451-F496 CarbonylContact O-C 3.23Å; V451-F496 WeakPolarHBondContact O-CA 3.17Å; R452-F496 HydrophobicContact CB-CD1 3.92Å; R452-F496 HydrophobicContact CB-CE1 3.7Å; R452-F496 HydrophobicContact CB-CZ 4.35Å; R452-F496 HydrophobicContact CG-CD1 4.19Å; R452-F496 HydrophobicContact CG-CE1 3.71Å; R452-F496 HydrophobicContact CG-CE2 4.41Å; R452-F496 HydrophobicContact CG-CZ 3.83Å; H482-F496 HydrophobicContact CB-CB 4.48Å; H482-F496 PolarHBondContact N-O 2.99Å; H482-F496 PolarHBondContact O-N 2.67Å; V484-F496 HydrophobicContact CG2-CD2 3.79Å; V484-F496 HydrophobicContact CG2-CE2 3.71Å; F496-M532 HydrophobicContact CB-CB 4.42Å; F496-M532 HydrophobicContact CB-CG 3.71Å; F496-M532 HydrophobicContact CB-SD 3.71Å; F496-M532 HydrophobicContact CD1-CB 3.68Å; F496-M532 HydrophobicContact CD1-CG 3.88Å; F496-M532 HydrophobicContact CD2-CG 4.46Å; F496-M532 HydrophobicContact CE1-CB 4.13Å; F496-M532 HydrophobicContact CG-CB 4.12Å; F496-M532 HydrophobicContact CG-CG 3.77Å; F496-M532 HydrophobicContact CG-SD 4.4Å; F496-V535 HydrophobicContact CE2-CB 3.78Å; F496-V535 HydrophobicContact CE2-CG1 3.64Å; F496-V535 HydrophobicContact CE2-CG2 4.46Å; F496-V535 HydrophobicContact CZ-CB 3.69Å; F496-V535 HydrophobicContact CZ-CG1 3.88Å; F496-V535 HydrophobicContact CZ-CG2 3.89Å
497I91.1Very high83.5Confident0 Ų063.9 Ų63.90%032%0.322CS..EExtended strand (participates in β ladder)trans-128.6124.3179.7-58.9150.3000108.7C450 V451 L453 I465 M469 I476 G480 V481 M499C450-I497 CarbonylContact C-O 3.59Å; C450-I497 VanDerWaalsContact CA-O 3.3Å; C450-I497 WeakPolarHBondContact CA-O 3.23Å; V451-I497 HydrophobicContact CB-CB 4.45Å; V451-I497 PolarHBondContact N-O 2.81Å; V451-I497 PolarHBondContact O-N 2.99Å; L453-I497 HydrophobicContact CD1-CD1 3.56Å; L453-I497 HydrophobicContact CD2-CD1 4.33Å; L453-I497 HydrophobicContact CG-CD1 3.8Å; I465-I497 HydrophobicContact CG2-CD1 4.03Å; M469-I497 HydrophobicContact CE-CD1 4.43Å; M469-I497 HydrophobicContact CE-CG2 4.25Å; M469-I497 HydrophobicContact SD-CD1 3.48Å; M469-I497 WeakPolarHBondContact SD-CD1 3.49Å; M469-I497 HydrophobicContact SD-CG1 4.35Å; M469-I497 HydrophobicContact SD-CG2 4.27Å; I476-I497 HydrophobicContact CB-CG2 4.45Å; I476-I497 HydrophobicContact CD1-CG2 4.13Å; I476-I497 HydrophobicContact CG1-CG2 3.94Å; I476-I497 HydrophobicContact CG2-CG2 3.72Å; G480-I497 CarbonylContact O-C 3.57Å; G480-I497 VanDerWaalsContact O-CA 3.24Å; G480-I497 WeakPolarHBondContact O-CA 3.41Å; V481-I497 HydrophobicContact CG1-CG1 4.43Å; V481-I497 HydrophobicContact CG2-CG1 4.43Å; V481-I497 HydrophobicContact CG2-CG2 4.46Å; I497-M499 HydrophobicContact CG2-SD 3.72Å
498Q89.8Confident84.3Confident41 Ų4154.6 Ų54.619%0.19228%0.279CS..EExtended strand (participates in β ladder)trans-94.4116.9176-154.6-173.237.300110.5K477 G480 T529K477-Q498 HydrophobicContact CD-CB 4.16Å; K477-Q498 HydrophobicContact CD-CG 3.72Å; K477-Q498 PolarHBondContact N-O 3.03Å; K477-Q498 VanDerWaalsContact NZ-CD 3.26Å; G480-Q498 PolarHBondContact O-N 3.38Å; Q498-T529 PolarHBondContact NE2-OG1 2.94Å
499M89Confident85.2Confident0 Ų048.7 Ų48.70%025%0.253CS..EExtended strand (participates in β ladder)trans-91.4162-178.6-53.5-61.3-6700111.3D449 V451 M469 D475 I476 K477 I497 K504 A505 V508D449-M499 WeakPolarHBondContact O-CA 3.4Å; D449-M499 VanDerWaalsContact O-CB 3.3Å; D449-M499 WeakPolarHBondContact O-CB 3.25Å; D449-M499 PolarHBondContact O-N 3.25Å; V451-M499 HydrophobicContact CG2-CG 4Å; M469-M499 HydrophobicContact CE-CE 4.11Å; M469-M499 HydrophobicContact CE-SD 3.93Å; D475-M499 HydrophobicContact CB-CE 3.52Å; D475-M499 CarbonylContact O-C 3.6Å; D475-M499 WeakPolarHBondContact O-CA 3.34Å; I476-M499 HydrophobicContact CG1-CE 4.43Å; I476-M499 HydrophobicContact CG1-SD 4.07Å; K477-M499 WeakPolarHBondContact CE-O 3.34Å; K477-M499 PolarHBondContact NZ-O 2.83Å; I497-M499 HydrophobicContact CG2-SD 3.72Å; M499-K504 HydrophobicContact CE-CB 4.22Å; M499-A505 HydrophobicContact CB-CB 4.17Å; M499-A505 HydrophobicContact CG-CB 3.81Å; M499-V508 HydrophobicContact CE-CG2 3.91Å
500K86.5Confident86.2Confident126 Ų12650.4 Ų50.455%0.54825%0.251SS..SBendtrans-75.6-18.7174.9-70.9167-178.81560113.8V474 D475 I476 K477V474-K500 PolarHBondContact O-NZ 3.39Å; D475-K500 WeakPolarHBondContact O-CB 3.42Å; D475-K500 WeakPolarHBondContact O-CG 3.4Å; D475-K500 PolarHBondContact O-N 2.91Å; I476-K500 WeakPolarHBondContact O-CE 3.48Å; I476-K500 PolarHBondContact O-NZ 2.86Å; K477-K500 HydrophobicContact CG-CG 4.03Å
501S86.7Confident86.8Confident31 Ų3147.8 Ų47.822%0.21724%0.244CC..  trans-145.9147.1176.4138.10000111.2D503 K504 A505S501-D503 VanDerWaalsContact C-N 3.29Å; S501-D503 PolarHBondContact O-N 3.2Å; S501-D503 WeakPolarHBondContact OG-CB 3.3Å; S501-D503 PolarHBondContact OG-N 2.85Å; S501-D503 PolarHBondContact OG-OD2 3.44Å; S501-K504 PolarHBondContact O-N 3.36Å; S501-K504 PolarHBondContact OG-N 2.99Å; S501-A505 PolarHBondContact O-N 3.06Å; S501-A505 VanDerWaalsContact O-N 3.09Å
502P88.7Confident87.1Confident51 Ų5146 Ų4633%0.33123%0.232SC..Hα-helixtrans-65.6-29.3173.729.4-35.6000113A505 F506 Q526P502-A505 WeakPolarHBondContact O-CB 3.34Å; P502-A505 PolarHBondContact O-N 3Å; P502-F506 PolarHBondContact O-N 3.21Å; P502-Q526 PolarHBondContact O-NE2 3.3Å; P502-Q526 VanDerWaalsContact O-NE2 3.1Å
503D87.3Confident87.4Confident117 Ų11746.3 Ų46.363%0.62623%0.228SC*.Hα-helixtrans-68.5-38.2177.3-40.6-71.2000110.8S501 F506 L507S501-D503 VanDerWaalsContact C-N 3.29Å; S501-D503 PolarHBondContact O-N 3.2Å; S501-D503 WeakPolarHBondContact OG-CB 3.3Å; S501-D503 PolarHBondContact OG-N 2.85Å; S501-D503 PolarHBondContact OG-OD2 3.44Å; D503-F506 PolarHBondContact O-N 3.01Å; D503-L507 WeakPolarHBondContact O-CB 3.38Å; D503-L507 PolarHBondContact O-N 3.13Å
504K87.3Confident87.6Confident73 Ų7352.7 Ų52.732%0.31726%0.255SS..Hα-helixtrans-67.4-39.2171.7-63.6-58.1-171.583.50111.5D475 M499 S501 L507 V508D475-K504 HydrophobicContact CB-CB 4.13Å; D475-K504 HydrophobicContact CB-CG 4.12Å; D475-K504 IonicContact OD1-NZ 2.61Å; D475-K504 PolarHBondContact OD1-NZ 3.27Å; D475-K504 WeakPolarHBondContact OD2-CD 3.43Å; D475-K504 IonicContact OD2-NZ 2.71Å; D475-K504 PolarHBondContact OD2-NZ 2.9Å; M499-K504 HydrophobicContact CE-CB 4.22Å; S501-K504 PolarHBondContact O-N 3.36Å; S501-K504 PolarHBondContact OG-N 2.99Å; K504-L507 PolarHBondContact O-N 3.41Å; K504-V508 WeakPolarHBondContact O-CB 3.42Å; K504-V508 WeakPolarHBondContact O-CG2 3.49Å; K504-V508 PolarHBondContact O-N 2.84Å
505A88.6Confident87.5Confident0 Ų056.1 Ų56.10%027%0.269CS..Hα-helixtrans-61.6-42.8173.300000112.3R448 V451 M499 S501 P502 A509 Q526R448-A505 WeakPolarHBondContact O-CB 3.43Å; V451-A505 HydrophobicContact CG2-CB 3.74Å; V451-A505 WeakPolarHBondContact CG2-O 3.49Å; M499-A505 HydrophobicContact CB-CB 4.17Å; M499-A505 HydrophobicContact CG-CB 3.81Å; S501-A505 PolarHBondContact O-N 3.06Å; S501-A505 VanDerWaalsContact O-N 3.09Å; P502-A505 WeakPolarHBondContact O-CB 3.34Å; P502-A505 PolarHBondContact O-N 3Å; A505-A509 WeakPolarHBondContact O-CB 3.34Å; A505-A509 PolarHBondContact O-N 2.9Å; A505-Q526 HydrophobicContact CB-CG 4.17Å
506F88.6Confident87.2Confident102 Ų10260.6 Ų60.645%0.44730%0.296SS..Hα-helixtrans-63.4-46173.9-179.4-101.1000112.4P502 D503 A509 Q510P502-F506 PolarHBondContact O-N 3.21Å; D503-F506 PolarHBondContact O-N 3.01Å; F506-A509 CarbonylContact O-C 3.56Å; F506-A509 WeakPolarHBondContact O-CB 3.18Å; F506-A509 PolarHBondContact O-N 3.25Å; F506-A509 VanDerWaalsContact O-N 3.17Å; F506-Q510 HydrophobicContact CE1-CG 4.43Å; F506-Q510 HydrophobicContact CZ-CG 4.46Å; F506-Q510 PolarHBondContact O-N 2.7Å
507L86.8Confident86.7Confident76 Ų7661.1 Ų61.140%0.39830%0.299SS..Hα-helixtrans-67-40.2-178.7-169.4150.5000112.2H472 D503 K504 Q510 K511H472-L507 WeakPolarHBondContact CE1-CD2 3.23Å; D503-L507 WeakPolarHBondContact O-CB 3.38Å; D503-L507 PolarHBondContact O-N 3.13Å; K504-L507 PolarHBondContact O-N 3.41Å; L507-Q510 PolarHBondContact O-N 2.93Å; L507-K511 WeakPolarHBondContact O-CB 3.05Å; L507-K511 PolarHBondContact O-N 2.88Å
508V87.3Confident86.2Confident1 Ų167.2 Ų67.21%0.00633%0.325CS..Hα-helixtrans-61.6-44.5169.5169.10000110.7V451 M469 H472 M499 K504 Q510 K511 C512V451-V508 HydrophobicContact CG1-CG1 4.22Å; V451-V508 HydrophobicContact CG2-CB 4.44Å; V451-V508 HydrophobicContact CG2-CG1 4.28Å; M469-V508 HydrophobicContact CE-CG1 4.18Å; M469-V508 HydrophobicContact CE-CG2 4.3Å; H472-V508 HydrophobicContact CB-CG2 3.45Å; H472-V508 VanDerWaalsContact CB-CG2 3.45Å; M499-V508 HydrophobicContact CE-CG2 3.91Å; K504-V508 WeakPolarHBondContact O-CB 3.42Å; K504-V508 WeakPolarHBondContact O-CG2 3.49Å; K504-V508 PolarHBondContact O-N 2.84Å; V508-Q510 PolarHBondContact O-N 2.88Å; V508-K511 PolarHBondContact O-N 3.09Å; V508-C512 WeakPolarHBondContact O-CB 2.99Å; V508-C512 PolarHBondContact O-N 2.88Å
509A88.6Confident85.6Confident13 Ų1372.9 Ų72.911%0.10736%0.357CS..Hα-helixtrans-63-27.4178.600000113.5A505 F506 H513 V524 Q526A505-A509 WeakPolarHBondContact O-CB 3.34Å; A505-A509 PolarHBondContact O-N 2.9Å; F506-A509 CarbonylContact O-C 3.56Å; F506-A509 WeakPolarHBondContact O-CB 3.18Å; F506-A509 PolarHBondContact O-N 3.25Å; F506-A509 VanDerWaalsContact O-N 3.17Å; A509-H513 VanDerWaalsContact O-CB 3.26Å; A509-H513 WeakPolarHBondContact O-CB 3.34Å; A509-V524 HydrophobicContact CB-CG1 4.27Å; A509-Q526 HydrophobicContact CB-CB 4.08Å
510Q86Confident85.1Confident134 Ų13476.9 Ų76.963%0.62637%0.372SS*.Hα-helixtrans-82.5-50.8169.6-67.5-164.3-13.100112.8F506 L507 V508 C512F506-Q510 HydrophobicContact CE1-CG 4.43Å; F506-Q510 HydrophobicContact CZ-CG 4.46Å; F506-Q510 PolarHBondContact O-N 2.7Å; L507-Q510 PolarHBondContact O-N 2.93Å; V508-Q510 PolarHBondContact O-N 2.88Å; Q510-C512 VanDerWaalsContact C-N 3.32Å; Q510-C512 PolarHBondContact O-N 2.86Å
511K85.3Confident85Confident120 Ų12078.3 Ų78.352%0.52238%0.375SS..Hα-helixtrans-67.3-28-172.2-164.9-179.3-176.2173.30113.5E471 H472 L507 V508E471-K511 IonicContact OE2-NZ 3.61Å; E471-K511 PolarHBondContact OE2-NZ 3Å; H472-K511 WeakPolarHBondContact NE2-CD 3.13Å; H472-K511 VanDerWaalsContact NE2-CE 3.29Å; H472-K511 WeakPolarHBondContact NE2-CE 3.47Å; H472-K511 PolarHBondContact NE2-NZ 2.82Å; L507-K511 WeakPolarHBondContact O-CB 3.05Å; L507-K511 PolarHBondContact O-N 2.88Å; V508-K511 PolarHBondContact O-N 3.09Å
512C84.4Confident85.1Confident5 Ų576.9 Ų76.93%0.03437%0.365CS..SBendtrans-104.3-9.8-175.7-59.40000114.5F468 V508 Q510 K514 K515 V524F468-C512 HydrophobicContact CE1-CB 3.75Å; F468-C512 HydrophobicContact CZ-CB 4.01Å; F468-C512 WeakPolarHBondContact CZ-O 3.41Å; V508-C512 WeakPolarHBondContact O-CB 2.99Å; V508-C512 PolarHBondContact O-N 2.88Å; Q510-C512 VanDerWaalsContact C-N 3.32Å; Q510-C512 PolarHBondContact O-N 2.86Å; C512-K514 PolarHBondContact O-N 2.81Å; C512-K515 VanDerWaalsContact O-CB 3.32Å; C512-K515 WeakPolarHBondContact O-CB 3.49Å; C512-K515 PolarHBondContact O-N 2.98Å; C512-K515 VanDerWaalsContact O-N 3.17Å; C512-V524 HydrophobicContact CB-CG2 3.88Å; C512-V524 WeakPolarHBondContact O-CG2 3.47Å
513H87.3Confident85.1Confident57 Ų5776.3 Ų76.326%0.26436%0.358SS..THydrogen-bonded Turntrans-65.4127.6-177.9-176.694.2000111.9A509 K515 V524A509-H513 VanDerWaalsContact O-CB 3.26Å; A509-H513 WeakPolarHBondContact O-CB 3.34Å; H513-K515 PolarHBondContact O-N 3.3Å; H513-V524 HydrophobicContact CB-CB 4.16Å; H513-V524 PolarHBondContact ND1-N 2.58Å; H513-V524 PolarHBondContact ND1-O 3.05Å
514K83.4Confident85.2Confident138 Ų13870.9 Ų70.960%0.633%0.329SS*.THydrogen-bonded Turntrans64.77.6-173.7-63.4168.1-179179.80115.6C512 V522C512-K514 PolarHBondContact O-N 2.81Å; K514-V522 WeakPolarHBondContact CA-O 3.48Å; K514-V522 PolarHBondContact N-O 3.2Å
515K85.2Confident85.3Confident93 Ų9369.9 Ų69.940%0.40433%0.325SS..  trans-61.2143.7165-178.3-178.1171.1-175.10108.9F468 C512 H513 V522F468-K515 HydrophobicContact CD2-CD 3.95Å; F468-K515 HydrophobicContact CD2-CG 4.19Å; F468-K515 HydrophobicContact CE2-CB 3.64Å; F468-K515 HydrophobicContact CE2-CD 3.75Å; F468-K515 HydrophobicContact CE2-CG 3.65Å; F468-K515 HydrophobicContact CZ-CB 3.94Å; F468-K515 HydrophobicContact CZ-CD 4.32Å; F468-K515 HydrophobicContact CZ-CG 4.37Å; F468-K515 PolarHBondContact O-NZ 2.94Å; C512-K515 VanDerWaalsContact O-CB 3.32Å; C512-K515 WeakPolarHBondContact O-CB 3.49Å; C512-K515 PolarHBondContact O-N 2.98Å; C512-K515 VanDerWaalsContact O-N 3.17Å; H513-K515 PolarHBondContact O-N 3.3Å; K515-V522 PolarHBondContact O-N 2.61Å
516T82.2Confident85.4Confident95 Ų9572.5 Ų72.558%0.58334%0.337SS*.EExtended strand (participates in β ladder)trans-80.5142.9175.242.30000112R520T516-R520 CarbonylContact C-O 3.53Å; T516-R520 WeakPolarHBondContact CA-O 3.36Å
517M81.8Confident85.4Confident10 Ų1068 Ų685%0.04932%0.318CS..EExtended strand (participates in β ladder)trans-125.8113.1168.6177.3-172-78.400107L456 P457 A460 D464 I465 F468 D519 R520 V522L456-M517 HydrophobicContact CD2-CE 3.52Å; L456-M517 HydrophobicContact CD2-SD 3.57Å; L456-M517 VanDerWaalsContact CD2-SD 3.57Å; P457-M517 HydrophobicContact CG-CG 4.42Å; P457-M517 WeakPolarHBondContact CG-O 3.47Å; A460-M517 HydrophobicContact CB-SD 3.85Å; D464-M517 HydrophobicContact CB-CE 4.4Å; D464-M517 HydrophobicContact CB-SD 4.23Å; D464-M517 WeakPolarHBondContact O-CE 3.43Å; I465-M517 HydrophobicContact CG1-CE 4.09Å; F468-M517 HydrophobicContact CB-CE 3.41Å; F468-M517 VanDerWaalsContact CB-CE 3.41Å; F468-M517 HydrophobicContact CD1-CE 4.14Å; F468-M517 HydrophobicContact CD2-CB 3.92Å; F468-M517 HydrophobicContact CD2-CE 3.99Å; F468-M517 HydrophobicContact CE2-CB 4.28Å; F468-M517 HydrophobicContact CG-CE 3.61Å; M517-D519 PolarHBondContact O-N 2.82Å; M517-D519 VanDerWaalsContact O-N 3.12Å; M517-R520 PolarHBondContact N-O 2.87Å; M517-R520 PolarHBondContact O-N 2.92Å; M517-V522 HydrophobicContact CB-CG2 3.65Å
518K78.6Confident85.4Confident128 Ų12864.6 Ų64.656%0.55730%0.3SS*.THydrogen-bonded Turntrans51-117.3-169.7-59.4173.6179.5171.50109P457 D464P457-K518 HydrophobicContact CG-CB 4.37Å; D464-K518 WeakPolarHBondContact OD1-CE 3.35Å; D464-K518 IonicContact OD1-NZ 2.9Å; D464-K518 PolarHBondContact OD1-NZ 3.37Å; D464-K518 IonicContact OD2-NZ 2.62Å; D464-K518 PolarHBondContact OD2-NZ 3.34Å
519D78.4Confident85.1Confident161 Ų16166.6 Ų66.686%0.86131%0.313SS*.THydrogen-bonded Turntrans-99.312.7-173.3-153.417000114.5M517M517-D519 PolarHBondContact O-N 2.82Å; M517-D519 VanDerWaalsContact O-N 3.12Å
520R78.2Confident84.6Confident84 Ų8470.3 Ų70.332%0.31733%0.328SS..EExtended strand (participates in β ladder)trans-132.8145.4178.5-56.1-145.8-65.8-152.23.6112.8G455 L456 P457 T516 M517G455-R520 PolarHBondContact O-NE 2.75Å; G455-R520 PolarHBondContact O-NH2 2.8Å; L456-R520 PolarHBondContact O-NH2 3.2Å; P457-R520 HydrophobicContact CG-CB 4.43Å; P457-R520 HydrophobicContact CG-CG 4.43Å; T516-R520 CarbonylContact C-O 3.53Å; T516-R520 WeakPolarHBondContact CA-O 3.36Å; M517-R520 PolarHBondContact N-O 2.87Å; M517-R520 PolarHBondContact O-N 2.92Å
521Y85.6Confident84.2Confident156 Ų15666.5 Ų66.561%0.61231%0.31SS*.EExtended strand (participates in β ladder)trans-76.4141.316565-95000110.2E523Y521-E523 HydrophobicContact CE2-CG 4.5Å
522V87.6Confident83.9Confident0 Ų061.4 Ų61.40%029%0.289CS..  trans-105.8123.6-179.8-176.10000109.4L453 L456 F468 K514 K515 M517 V524L453-V522 HydrophobicContact CB-CG1 4.1Å; L453-V522 HydrophobicContact CD2-CG1 4.17Å; L456-V522 HydrophobicContact CD2-CG1 3.88Å; L456-V522 HydrophobicContact CD2-CG2 3.98Å; L456-V522 HydrophobicContact CG-CG1 4.49Å; F468-V522 HydrophobicContact CE1-CB 4.47Å; F468-V522 HydrophobicContact CE1-CG1 4.38Å; F468-V522 HydrophobicContact CE2-CB 4.05Å; F468-V522 HydrophobicContact CE2-CG2 3.96Å; F468-V522 HydrophobicContact CZ-CB 3.71Å; F468-V522 HydrophobicContact CZ-CG1 4.08Å; F468-V522 HydrophobicContact CZ-CG2 4.07Å; K514-V522 WeakPolarHBondContact CA-O 3.48Å; K514-V522 PolarHBondContact N-O 3.2Å; K515-V522 PolarHBondContact O-N 2.61Å; M517-V522 HydrophobicContact CB-CG2 3.65Å; V522-V524 HydrophobicContact CG1-CG2 4.2Å
523E88Confident83.4Confident39 Ų3963.9 Ų63.918%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-78.3129.3166.9-63.5-166.2106.400109.3R454 Y521 F525R454-E523 HydrophobicContact CB-CB 4.26Å; R454-E523 IonicContact CZ-OE2 2.84Å; R454-E523 PolarHBondContact N-O 2.82Å; R454-E523 IonicContact NH1-OE2 2.71Å; R454-E523 PolarHBondContact NH1-OE2 3.08Å; R454-E523 PolarHBondContact O-N 2.99Å; Y521-E523 HydrophobicContact CE2-CG 4.5Å; E523-F525 HydrophobicContact CB-CD2 4.38Å; E523-F525 HydrophobicContact CB-CE2 3.49Å; E523-F525 VanDerWaalsContact CB-CE2 3.49Å; E523-F525 HydrophobicContact CB-CZ 3.79Å; E523-F525 HydrophobicContact CG-CE2 4.39Å; E523-F525 HydrophobicContact CG-CZ 4.32Å
524V89.9Confident82.7Confident3 Ų364.4 Ų64.42%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-117.9134.5178.5-170.90000109.3V451 R452 L453 F468 A509 C512 H513 V522V451-V524 HydrophobicContact CG1-CG1 3.32Å; R452-V524 WeakPolarHBondContact O-CA 3.35Å; L453-V524 HydrophobicContact CD2-CB 4.21Å; L453-V524 HydrophobicContact CD2-CG1 3.82Å; L453-V524 HydrophobicContact CD2-CG2 3.58Å; F468-V524 HydrophobicContact CE1-CG2 4.21Å; F468-V524 HydrophobicContact CZ-CG2 4.27Å; A509-V524 HydrophobicContact CB-CG1 4.27Å; C512-V524 HydrophobicContact CB-CG2 3.88Å; C512-V524 WeakPolarHBondContact O-CG2 3.47Å; H513-V524 HydrophobicContact CB-CB 4.16Å; H513-V524 PolarHBondContact ND1-N 2.58Å; H513-V524 PolarHBondContact ND1-O 3.05Å; V522-V524 HydrophobicContact CG1-CG2 4.2Å
525F90.1Very high82Confident52 Ų5258.6 Ų58.623%0.22829%0.286CS..EExtended strand (participates in β ladder)trans-137.7138.9-178.4-57.2-78000111.3V451 R452 E523V451-F525 CarbonylContact C-O 3.55Å; V451-F525 WeakPolarHBondContact CA-O 3.48Å; R452-F525 PolarHBondContact N-O 3.03Å; R452-F525 PolarHBondContact O-N 3.29Å; E523-F525 HydrophobicContact CB-CD2 4.38Å; E523-F525 HydrophobicContact CB-CE2 3.49Å; E523-F525 VanDerWaalsContact CB-CE2 3.49Å; E523-F525 HydrophobicContact CB-CZ 3.79Å; E523-F525 HydrophobicContact CG-CE2 4.39Å; E523-F525 HydrophobicContact CG-CZ 4.32Å
526Q90.6Very high81.2Confident55 Ų5557.8 Ų57.826%0.25729%0.285SS..EExtended strand (participates in β ladder)trans-75.8138.1168.1-166.2-171.114.400110R448 P502 A505 A509R448-Q526 HydrophobicContact CB-CG 3.95Å; R448-Q526 WeakPolarHBondContact O-CG 3.3Å; R448-Q526 PolarHBondContact O-NE2 3.24Å; P502-Q526 PolarHBondContact O-NE2 3.3Å; P502-Q526 VanDerWaalsContact O-NE2 3.1Å; A505-Q526 HydrophobicContact CB-CG 4.17Å; A509-Q526 HydrophobicContact CB-CB 4.08Å
527C87.3Confident80.4Confident9 Ų961 Ų616%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-147.8173.4178.959.50000110.9R448 C450 E531R448-C527 CarbonylContact C-O 3.57Å; R448-C527 VanDerWaalsContact C-O 3.23Å; R448-C527 WeakPolarHBondContact CA-O 3.39Å; C450-C527 CarbonylContact C-O 3.55Å; C450-C527 WeakPolarHBondContact CA-O 3.42Å; C450-C527 WeakPolarHBondContact CB-O 3.2Å; C450-C527 WeakPolarHBondContact CB-SG 3.3Å; C450-C527 PolarHBondContact N-O 2.65Å; C450-C527 PolarHBondContact O-N 2.74Å; C527-E531 WeakPolarHBondContact CA-OE2 3.24Å; C527-E531 HydrophobicContact CB-CB 4.15Å; C527-E531 WeakPolarHBondContact CB-OE2 3.48Å
528S87.6Confident79.2Confident3 Ų363 Ų632%0.02132%0.319CS..  trans-94.9166.5174.182.60000113.5S446 E530 E531 M532S446-S528 WeakPolarHBondContact OG-CB 3.49Å; S446-S528 PolarHBondContact OG-OG 2.85Å; S528-E530 WeakPolarHBondContact CB-OE2 3.11Å; S528-E530 PolarHBondContact O-N 3.18Å; S528-E530 PolarHBondContact OG-N 3.44Å; S528-E530 PolarHBondContact OG-OE2 3.48Å; S528-E531 PolarHBondContact N-OE2 3.22Å; S528-E531 PolarHBondContact O-N 3.12Å; S528-E531 PolarHBondContact OG-N 2.84Å; S528-E531 VanDerWaalsContact OG-N 3.13Å; S528-M532 PolarHBondContact O-N 3.28Å
529T81.9Confident78Confident44 Ų4457.8 Ų57.827%0.2730%0.302SS..Hα-helixtrans-60.8-31.1171.5-68.20000111.8D449 C450 Q498 S533D449-T529 PolarHBondContact OD1-OG1 3.43Å; C450-T529 VanDerWaalsContact SG-CA 3.59Å; C450-T529 PolarHBondContact SG-OG1 3.48Å; C450-T529 VanDerWaalsContact SG-OG1 3.34Å; Q498-T529 PolarHBondContact NE2-OG1 2.94Å; T529-S533 WeakPolarHBondContact O-CB 3.32Å; T529-S533 PolarHBondContact O-N 2.95Å
530E78.1Confident76.5Confident91 Ų9153.2 Ų53.243%0.42528%0.28SS..Hα-helixtrans-72.2-42.9174.7-52.275.2-143.900112.3S446 S528 M532 S533 I534S446-E530 WeakPolarHBondContact CB-OE2 3.19Å; S446-E530 PolarHBondContact OG-OE2 3.06Å; S528-E530 WeakPolarHBondContact CB-OE2 3.11Å; S528-E530 PolarHBondContact O-N 3.18Å; S528-E530 PolarHBondContact OG-N 3.44Å; S528-E530 PolarHBondContact OG-OE2 3.48Å; E530-M532 VanDerWaalsContact C-N 3.28Å; E530-M532 PolarHBondContact O-N 2.83Å; E530-S533 PolarHBondContact O-N 2.82Å; E530-I534 WeakPolarHBondContact O-CG1 3.49Å; E530-I534 PolarHBondContact O-N 3.17Å
531E76.4Confident75Confident53 Ų5350.7 Ų50.725%0.24827%0.272CS..Hα-helixtrans-60.5-39.7176.2-71.4177.612400111.5R448 C527 S528 V535 L541R448-E531 IonicContact CZ-OE2 2.76Å; R448-E531 IonicContact NE-OE2 2.69Å; R448-E531 IonicContact NH2-OE1 2.63Å; R448-E531 PolarHBondContact NH2-OE1 2.9Å; R448-E531 IonicContact NH2-OE2 2.65Å; R448-E531 PolarHBondContact NH2-OE2 3.35Å; C527-E531 WeakPolarHBondContact CA-OE2 3.24Å; C527-E531 HydrophobicContact CB-CB 4.15Å; C527-E531 WeakPolarHBondContact CB-OE2 3.48Å; S528-E531 PolarHBondContact N-OE2 3.22Å; S528-E531 PolarHBondContact O-N 3.12Å; S528-E531 PolarHBondContact OG-N 2.84Å; S528-E531 VanDerWaalsContact OG-N 3.13Å; E531-V535 PolarHBondContact O-N 2.82Å; E531-L541 HydrophobicContact CB-CD1 3.91Å; E531-L541 HydrophobicContact CG-CD1 4.43Å; E531-L541 WeakPolarHBondContact O-CD1 3.33Å
532M79.4Confident73Confident14 Ų1447.3 Ų47.37%0.06927%0.265CS..Hα-helixtrans-62.3-49.3171.9168.3176.7147.900112H482 F496 S528 E530 I534 V535 L536H482-M532 HydrophobicContact CB-CE 4.44Å; H482-M532 WeakPolarHBondContact CD2-CE 3.19Å; H482-M532 WeakPolarHBondContact NE2-CE 3.36Å; F496-M532 HydrophobicContact CB-CB 4.42Å; F496-M532 HydrophobicContact CB-CG 3.71Å; F496-M532 HydrophobicContact CB-SD 3.71Å; F496-M532 HydrophobicContact CD1-CB 3.68Å; F496-M532 HydrophobicContact CD1-CG 3.88Å; F496-M532 HydrophobicContact CD2-CG 4.46Å; F496-M532 HydrophobicContact CE1-CB 4.13Å; F496-M532 HydrophobicContact CG-CB 4.12Å; F496-M532 HydrophobicContact CG-CG 3.77Å; F496-M532 HydrophobicContact CG-SD 4.4Å; S528-M532 PolarHBondContact O-N 3.28Å; E530-M532 VanDerWaalsContact C-N 3.28Å; E530-M532 PolarHBondContact O-N 2.83Å; M532-I534 VanDerWaalsContact C-N 3.34Å; M532-I534 PolarHBondContact O-N 3.32Å; M532-V535 PolarHBondContact O-N 2.82Å; M532-L536 HydrophobicContact CE-CD1 3.87Å; M532-L536 HydrophobicContact CG-CD1 3.85Å; M532-L536 HydrophobicContact CG-CG 4.49Å; M532-L536 WeakPolarHBondContact O-CG 3.35Å; M532-L536 PolarHBondContact O-N 2.8Å
533S74.6Confident70.7Confident56 Ų5657.1 Ų57.139%0.39230%0.302SS..Hα-helixtrans-57.5-44.8179.7-174.40000112.2T529 E530 V535 L536 M537T529-S533 WeakPolarHBondContact O-CB 3.32Å; T529-S533 PolarHBondContact O-N 2.95Å; E530-S533 PolarHBondContact O-N 2.82Å; S533-V535 VanDerWaalsContact C-N 3.29Å; S533-V535 PolarHBondContact O-N 2.81Å; S533-L536 PolarHBondContact O-N 2.86Å; S533-M537 WeakPolarHBondContact O-CG 3.42Å; S533-M537 PolarHBondContact O-N 3Å
534I72.8Confident68.2Low68 Ų6860.9 Ų60.935%0.34933%0.332SS..Hα-helixtrans-58.8-38.4178.9-70.2164.8000112E530 M532 G539 L546E530-I534 WeakPolarHBondContact O-CG1 3.49Å; E530-I534 PolarHBondContact O-N 3.17Å; M532-I534 VanDerWaalsContact C-N 3.34Å; M532-I534 PolarHBondContact O-N 3.32Å; I534-G539 WeakPolarHBondContact O-CA 3.26Å; I534-G539 PolarHBondContact O-N 2.63Å; I534-L546 HydrophobicContact CD1-CD2 3.94Å; I534-L546 HydrophobicContact CG2-CD2 4.39Å
535V68.8Low65.7Low16 Ų1662.4 Ų62.410%0.09735%0.349CS..Hα-helixtrans-78.2-37.5179.1179.70000112V484 F496 E531 M532 S533 M537 G538 L541V484-V535 HydrophobicContact CG2-CG1 4.49Å; F496-V535 HydrophobicContact CE2-CB 3.78Å; F496-V535 HydrophobicContact CE2-CG1 3.64Å; F496-V535 HydrophobicContact CE2-CG2 4.46Å; F496-V535 HydrophobicContact CZ-CB 3.69Å; F496-V535 HydrophobicContact CZ-CG1 3.88Å; F496-V535 HydrophobicContact CZ-CG2 3.89Å; E531-V535 PolarHBondContact O-N 2.82Å; M532-V535 PolarHBondContact O-N 2.82Å; S533-V535 VanDerWaalsContact C-N 3.29Å; S533-V535 PolarHBondContact O-N 2.81Å; V535-M537 PolarHBondContact O-N 2.95Å; V535-G538 PolarHBondContact O-N 2.82Å; V535-L541 HydrophobicContact CG2-CB 4.27Å; V535-L541 HydrophobicContact CG2-CD1 3.59Å; V535-L541 HydrophobicContact CG2-CG 3.6Å
536L67.9Low62.9Low76 Ų7666.1 Ų66.140%0.39837%0.37SS..Hα-helixtrans-65.6-26174.1-66.6174.3000112.5H482 V484 M532 S533 G538H482-L536 HydrophobicContact CB-CD1 4.09Å; H482-L536 HydrophobicContact CB-CD2 4.24Å; V484-L536 HydrophobicContact CG2-CD2 4.45Å; M532-L536 HydrophobicContact CE-CD1 3.87Å; M532-L536 HydrophobicContact CG-CD1 3.85Å; M532-L536 HydrophobicContact CG-CG 4.49Å; M532-L536 WeakPolarHBondContact O-CG 3.35Å; M532-L536 PolarHBondContact O-N 2.8Å; S533-L536 PolarHBondContact O-N 2.86Å; L536-G538 VanDerWaalsContact C-N 3.29Å
537M64.5Low60.1Low162 Ų16265.5 Ų65.580%0.79837%0.372SS*.THydrogen-bonded Turntrans-84.49.4169.3-65.3-176.171.800114.2S533 V535S533-M537 WeakPolarHBondContact O-CG 3.42Å; S533-M537 PolarHBondContact O-N 3Å; V535-M537 PolarHBondContact O-N 2.95Å
538G56.4Low57.4Low53 Ų5370.3 Ų70.355%0.54640%0.403SS..THydrogen-bonded Turntrans92.210.5173.800000116.2V535 L536V535-G538 PolarHBondContact O-N 2.82Å; L536-G538 VanDerWaalsContact C-N 3.29Å
539G53.4Low54.5Low18 Ų1874.2 Ų74.219%0.18643%0.429CS..  trans-77.6155.1173.500000113.7I534I534-G539 WeakPolarHBondContact O-CA 3.26Å; I534-G539 PolarHBondContact O-N 2.63Å
540T47.5Very low52.1Low65 Ų6577.1 Ų77.140%0.39945%0.448SS..EExtended strand (participates in β ladder)trans-109.8120.5177.748.70000112.2S547T540-S547 PolarHBondContact O-N 3.33Å; T540-S547 PolarHBondContact OG1-O 3.48Å
541L45.6Very low49.8Very low31 Ų3179 Ų7916%0.16247%0.469CS..EExtended strand (participates in β ladder)trans-99.9118.7174.5-65.8179.7000111.5R452 E531 V535 L546R452-L541 PolarHBondContact NH1-O 2.96Å; E531-L541 HydrophobicContact CB-CD1 3.91Å; E531-L541 HydrophobicContact CG-CD1 4.43Å; E531-L541 WeakPolarHBondContact O-CD1 3.33Å; V535-L541 HydrophobicContact CG2-CB 4.27Å; V535-L541 HydrophobicContact CG2-CD1 3.59Å; V535-L541 HydrophobicContact CG2-CG 3.6Å; L541-L546 HydrophobicContact CD2-CD2 3.8Å
542N44.4Very low47.6Very low85 Ų8586 Ų8646%0.45550%0.499SS..EExtended strand (participates in β ladder)trans-90.9171.6165.879.959.9000110.5S544 G545 S547N542-S544 PolarHBondContact O-N 2.83Å; N542-S544 WeakPolarHBondContact OD1-CA 3.42Å; N542-S544 PolarHBondContact OD1-N 2.98Å; N542-G545 PolarHBondContact ND2-O 2.94Å; N542-G545 PolarHBondContact O-N 3.37Å; N542-G545 PolarHBondContact OD1-N 3.17Å; N542-S547 PolarHBondContact ND2-OG 2.76Å
543R38.9Very low45.2Very low207 Ų20793 Ų9378%0.78154%0.536SS*.THydrogen-bonded Turntrans-680.2-173.1-142.4-176.2-152.5-112.49.4115.2
544S35.4Very low43Very low117 Ų11796.4 Ų96.482%0.81856%0.557SS**THydrogen-bonded Turntrans-136.68.1-173.9-55.50000114N542N542-S544 PolarHBondContact O-N 2.83Å; N542-S544 WeakPolarHBondContact OD1-CA 3.42Å; N542-S544 PolarHBondContact OD1-N 2.98Å
545G37.9Very low40.9Very low35 Ų3598.8 Ų98.836%0.36158%0.578SS.*EExtended strand (participates in β ladder)trans132.8-172.8171.500000115.8N542N542-G545 PolarHBondContact ND2-O 2.94Å; N542-G545 PolarHBondContact O-N 3.37Å; N542-G545 PolarHBondContact OD1-N 3.17Å
546L31.1Very low38.9Very low130 Ų130106.5 Ų106.568%0.68162%0.618SS**EExtended strand (participates in β ladder)trans-61.5141.5-168.7-63.8168.4000113.3I534 L541I534-L546 HydrophobicContact CD1-CD2 3.94Å; I534-L546 HydrophobicContact CG2-CD2 4.39Å; L541-L546 HydrophobicContact CD2-CD2 3.8Å
547S31.2Very low36.9Very low43 Ų43108.3 Ų108.330%0.30164%0.637SS.*EExtended strand (participates in β ladder)trans-147.1122170.2-62.20000110.8T540 N542T540-S547 PolarHBondContact O-N 3.33Å; T540-S547 PolarHBondContact OG1-O 3.48Å; N542-S547 PolarHBondContact ND2-OG 2.76Å
548P31.2Very low35.2Very low109 Ų109106.1 Ų106.171%0.70864%0.635SS**  trans-69.8159.6171.930-33.8000111.4
549P27.9Very low34Very low86 Ų86110 Ų11056%0.55865%0.65SS**  trans-71.6144.8-160.626.4-36000114.9C551P549-C551 PolarHBondContact O-N 3.27Å
550P31.1Very low32.9Very low105 Ų105116 Ų11668%0.68268%0.684SS**  trans-83.7105.417832.6-33.4000112.3K552P550-K552 PolarHBondContact O-N 3.03Å
551C29.6Very low31.9Very low129 Ų129117.2 Ų117.287%0.87270%0.7SS**PPolyproline II helixtrans-73.2117.4167-63.30000109.9P549P549-C551 PolarHBondContact O-N 3.27Å
552K31.1Very low31.1Very low201 Ų201126.5 Ų126.587%0.87473%0.734SS**PPolyproline II helixtrans-90.5129.6173-74.7-171.5175.6-175.30111.2P550P550-K552 PolarHBondContact O-N 3.03Å
553L28.2Very low30.2Very low162 Ų162126.8 Ų126.885%0.84875%0.749SS**PPolyproline II helixtrans-95156.1149.9-81.1168.1000108.8
554P27.8Very low29.5Very low126 Ų126120.6 Ų120.682%0.81874%0.742SS**PPolyproline II helixtrans-70.8137.4-175.928.7-34.8000111.9
555C29Very low28.9Very low118 Ų118124.6 Ų124.680%0.79775%0.745SS**  trans-108.2129.7169.147.30000110.1
556L25.8Very low29.1Very low179 Ų179127.7 Ų127.794%0.93776%0.759SS**PPolyproline II helixtrans-86.7138.3166.8-70.4169.7000109.2
557S27Very low28.8Very low113 Ų113127.2 Ų127.279%0.7976%0.761SS**PPolyproline II helixtrans-95142.3-174.8-51.40000112.5
558P29.2Very low28.4Very low117 Ų117130.3 Ų130.376%0.7678%0.783SS**PPolyproline II helixtrans-93.2154.2155.133.8-28000111.7
559P31.7Very low28.9Very low133 Ų133131 Ų13186%0.86479%0.788SS**PPolyproline II helixtrans-89.5172.6-174.235.6-36.8000115.7
560T29.7Very low28.9Very low146 Ų146131.6 Ų131.690%0.89680%0.8SS**PPolyproline II helixtrans-85.2146.8-169.3-41.50000115.3
561A26.4Very low28.6Very low89 Ų89133.7 Ų133.774%0.73680%0.804SS**  trans-153.1135.4156.700000114.4
562Y28.5Very low28.5Very low226 Ų226135.2 Ų135.289%0.88680%0.802SS**  trans-5.8130.6158.5-66.9-90.2000119.6
563A25.9Very low28.2Very low91 Ų91129.7 Ų129.775%0.75279%0.789SS**  85.71486600000114.4
564A23.8Very low28Very low78 Ų78130.7 Ų130.765%0.64579%0.789SS**  cis-170.6143.7-20.200000113.2
565F23.4Very low27.9Very low200 Ų200129.3 Ų129.388%0.87779%0.788SS**  trans60.2167.4156.4-67.9-55.3000121.1
566P41.2Very low27.8Very low101 Ų101128.7 Ų128.766%0.65679%0.792SS**  cis-140.2173.8-31.135-14.9000117.9
567T24.8Very low27.6Very low119 Ų119128.1 Ų128.173%0.7379%0.789SS**  trans67.3114145.643.10000126.1
568S22.7Very low27.5Very low109 Ų109134 Ų13476%0.76280%0.796SS**  60.8168.7111.4-54.30000123.6
569P43.2Very low27.3Very low124 Ų124137 Ų13781%0.80580%0.8SS**  cis-140.8171.6-46.540.1-24.4000115.2
570A26.3Very low27.7Very low98 Ų98135.5 Ų135.581%0.8179%0.789SS**  trans168.3173.1147.300000113.3
571I26.2Very low28Very low148 Ų148134.4 Ų134.476%0.75979%0.785SS**  -164.5145.5-65.3-132.6169000110.6
572L25.7Very low28.1Very low161 Ų161138.2 Ų138.284%0.84379%0.792SS**  trans59.5163.4171.9-65167.9000115.9
573S25.3Very low28Very low85 Ų85136 Ų13659%0.59480%0.795SS**  cis-155.9176.4-7.2-129.70000108.3
574E25Very low28Very low183 Ų183135.9 Ų135.986%0.85579%0.794SS**  cis-146.6-134.20.1-155.2139.8113.200110.2
575A25.2Very low28.4Very low97 Ų97136.8 Ų136.880%0.80280%0.801SS**  trans-149.1160178.400000114.3
576A25.9Very low29Very low106 Ų106132.4 Ų132.488%0.87679%0.792SS**  trans-152.2132.8161.400000111.9
577L23.1Very low28.4Very low166 Ų166139.6 Ų139.687%0.86981%0.806SS**  trans-91.2152.1168.6-69.5148.6000109.5
578Y24.8Very low28.6Very low237 Ų237137.2 Ų137.293%0.92981%0.806SS**  -174.3155.1128.6-111.9-77.1000111.6
579Q24.5Very low29.3Very low181 Ų181137.8 Ų137.885%0.84681%0.807SS**  trans-135.3178.2173.2-119.3-154.5-13.500109.9
580P41.1Very low28.6Very low100 Ų100140.1 Ų140.165%0.64981%0.807SS**  trans-100.1-173.8-133.143.1-39.7000114.1
581P35Very low28.6Very low124 Ų124141.7 Ų141.781%0.80581%0.807SS**  trans-124156.6144.436.8-27.2000113.9
582L29.6Very low28.6Very low168 Ų168138.7 Ų138.788%0.8880%0.804SS**  trans-100.6153164.9-66.1169000109.7
583L26.2Very low28.6Very low181 Ų181136.7 Ų136.795%0.94880%0.798SS**  trans-165.6171.4150.1-108.3164.7000110.7
584A25.5Very low28.7Very low88 Ų88141.2 Ų141.273%0.72781%0.81SS**  trans-149.3170.1-150.100000117.8
585A31.1Very low28.7Very low96 Ų96137.7 Ų137.779%0.79381%0.805SS**  trans74.8173.8158.600000116.5
586P37.3Very low29.2Very low108 Ų108139.1 Ų139.170%0.70181%0.806SS**  cis-145165.67.942.9-23.9000120.5
587R28.1Very low29.2Very low252 Ų252137.9 Ų137.995%0.95180%0.796SS**  trans64.6153.8156.1-69.4165.9175.7167-1.7118.4
588G27.8Very low29.2Very low69 Ų69138.5 Ų138.571%0.71179%0.794SS**  cis144.7171.3-0.400000110.7
589P38Very low29.2Very low121 Ų121131.4 Ų131.479%0.78678%0.784SS**  cis-140.5-161.1-6.639.1-16000115.7
590Q28.8Very low29.2Very low173 Ų173130.4 Ų130.481%0.80878%0.784SS**  trans80.8130.1166.8-63.5178.10.200118.4
591T26Very low28.3Very low131 Ų131129.4 Ų129.480%0.80478%0.784SS**  cis96.513825.562.80000114.9
592A27.3Very low27.7Very low85 Ų85132.8 Ų132.870%0.70278%0.782SS**  cis-167.5146.2-2.900000114.8
593V25.7Very low27.3Very low119 Ų119133.9 Ų133.972%0.72178%0.776SS**  62129.3128.5-179.50000123.1
594H26.6Very low27.5Very low181 Ų181131 Ų13184%0.83877%0.768SS**  179.2147.6118.3-100.3-69.6000115.4
595S26.1Very low27.7Very low108 Ų108131.4 Ų131.476%0.75576%0.764SS**  trans-133.5155.8167.4-46.20000109.3
596P34.1Very low27.5Very low128 Ų128135.4 Ų135.483%0.83177%0.766SS**  -143.8-151.194.120.84.4000112.4
597A25.7Very low27.4Very low80 Ų80134.5 Ų134.566%0.66176%0.76SS**  -174.3-168-67.600000110.2
598H24.8Very low27.2Very low179 Ų179131.2 Ų131.283%0.82976%0.755SS**  trans71.5129.6179.5-55.7-81.8000115.9
599A23.9Very low27Very low87 Ų87135.5 Ų135.572%0.71976%0.761SS**  cis81.2136.523.900000114.6
600L25.4Very low26.4Very low160 Ų160140.6 Ų140.684%0.83877%0.766SS**  cis-165.6-1752.4-124.3172.7000110.6
601A22.2Very low26.1Very low80 Ų80139.8 Ų139.866%0.66176%0.764SS**  trans102.1146.8151.900000121.3
602Y21.8Very low26.2Very low194 Ų194140.4 Ų140.476%0.76176%0.762SS**  cis-164.7132.2-20.4-126.8-107000111.1
603Y20.4Very low26Very low191 Ų191143.7 Ų143.775%0.74977%0.765SS**  trans42173.4136.8-77.7-91.2000122.9
604P31.1Very low26.1Very low120 Ų120145.2 Ų145.278%0.77977%0.769SS**  cis-130.5-169.218.843.9-22.6000116.2
605P30Very low25.9Very low98 Ų98144.2 Ų144.264%0.63677%0.767SS**  trans-136.2-176.6-146.647.7-34.8000119.9
606Q27Very low26Very low179 Ų179145.2 Ų145.284%0.83676%0.764SS**  trans69.6167.4154.7-67.3-130.81.700119.2
607P34.5Very low25.5Very low89 Ų89149 Ų14958%0.57876%0.763SS**  cis-130.1179.8-45.637.7-23.1000112.5
608H24.8Very low25.7Very low184 Ų184150.9 Ų150.985%0.85277%0.766SS**  trans172.8146.7132.5-92.6-64.5000111.3
609L23.3Very low25.6Very low158 Ų158146.1 Ų146.183%0.82776%0.758SS**  trans-89.2151174.1-68.874000110.4
610Y25.2Very low25.8Very low229 Ų229153 Ų15390%0.89877%0.767SS**  trans-146.1165.4132.7-122.4-83.6000111.7
611M23.1Very low25.8Very low155 Ų155156.1 Ų156.176%0.76477%0.769SS**  trans-79148-157.4-73.2178.7152.900116.4
612N27.7Very low26Very low145 Ų145157.5 Ų157.578%0.77577%0.771SS**  trans-55.5128152.3175.313.4000110.4
613M22.4Very low26.4Very low153 Ų153153.5 Ų153.575%0.75477%0.771SS**  trans-125.793.8170.3-90.4-69.3-172.800110.5M615M613-M615 PolarHBondContact O-N 3.36Å
614N27.6Very low27.1Very low151 Ų151149.9 Ų149.981%0.80777%0.772SS**  trans-61.1119153.7-103.42.6000107.9
615M22.7Very low27Very low160 Ų160150.2 Ų150.279%0.78877%0.774SS**  trans-126.8124.4161.4-111.8-60.9177.400110.5M613M613-M615 PolarHBondContact O-N 3.36Å
616N28.8Very low27.2Very low129 Ų129152 Ų15269%0.6978%0.783SS**  trans-92.5128.8-179.4179.423000108.6
617Y23.8Very low27.2Very low209 Ų209148.4 Ų148.482%0.8278%0.777SS**  trans-134.196.3169.6-111.3-78000111.9
618T29.2Very low26.9Very low119 Ų119149.9 Ų149.973%0.7379%0.786SS**  trans-77.1122.916449.50000109.9
619A23.6Very low27.1Very low79 Ų79146.2 Ų146.265%0.65378%0.782SS**  trans-149.7116.2166.400000111.5
620Y27.3Very low27.2Very low231 Ų231145 Ų14591%0.90678%0.781SS**  trans34.8106.1155.3-65.1-87.6000119.5
621Y25.4Very low27.3Very low226 Ų226139.6 Ų139.689%0.88677%0.771SS**  trans-109.9133.3144.4-118.1-91.5000108.9
622P27.3Very low27.4Very low108 Ų108135.1 Ų135.170%0.70177%0.765SS**PPolyproline II helixtrans-73.2151.8172.431.3-34.4000111.1
623S30.2Very low27.2Very low110 Ų110138.7 Ų138.777%0.76977%0.769SS**PPolyproline II helixtrans-60.3146172.9-54.50000111.7
624P33.4Very low27.4Very low116 Ų116140.9 Ų140.975%0.75378%0.775SS**PPolyproline II helixtrans-57142.3167.5-22.333.4000111.1
625P30.7Very low27.2Very low127 Ų127138 Ų13883%0.82577%0.772SS**PPolyproline II helixtrans-66.8135.7-179.527-34000111.5
626V32.5Very low27.3Very low136 Ų136135.1 Ų135.182%0.82477%0.774SS**PPolyproline II helixtrans-69.3142169.6-174.40000108.9
627S27.6Very low27.3Very low103 Ų103134.5 Ų134.572%0.7278%0.777SS**PPolyproline II helixtrans-55.7139.9174.1-51.70000111.3S629S627-S629 PolarHBondContact O-N 3.46Å
628P28.1Very low27.5Very low119 Ų119130.9 Ų130.977%0.77378%0.779SS**  trans-68.7115.3-168.325.7-34.5000112.9T630P628-T630 PolarHBondContact O-N 3.43Å
629S28.8Very low27.4Very low107 Ų107128.8 Ų128.875%0.74878%0.781SS**  trans-83.990.8166.153.90000110.1S627 V631S627-S629 PolarHBondContact O-N 3.46Å; S629-V631 VanDerWaalsContact C-N 3.32Å; S629-V631 PolarHBondContact O-N 2.92Å
630T25.4Very low27.5Very low132 Ų132129.2 Ų129.281%0.8179%0.785SS**  trans-69.781.8179.5-51.60000112.1P628 G632P628-T630 PolarHBondContact O-N 3.43Å; T630-G632 PolarHBondContact O-N 2.9Å
631V28.3Very low27.4Very low116 Ų116127.5 Ų127.570%0.70379%0.787SS**  trans-87.490.8165.6-178.90000108.2S629 Y633S629-V631 VanDerWaalsContact C-N 3.32Å; S629-V631 PolarHBondContact O-N 2.92Å; V631-Y633 HydrophobicContact CG1-CD2 4.21Å; V631-Y633 PolarHBondContact O-N 3.17Å; V631-Y633 VanDerWaalsContact O-N 3.07Å
632G24.3Very low27.4Very low62 Ų62121.6 Ų121.664%0.63979%0.785SS**  trans-74.989.2177.100000112.4T630 F634T630-G632 PolarHBondContact O-N 2.9Å; G632-F634 PolarHBondContact O-N 3.29Å
633Y23.8Very low27.3Very low219 Ų219121.2 Ų121.286%0.85979%0.791SS**  trans-73107.1164.2-108.2-87.4000109.5V631V631-Y633 HydrophobicContact CG1-CD2 4.21Å; V631-Y633 PolarHBondContact O-N 3.17Å; V631-Y633 VanDerWaalsContact O-N 3.07Å
634F26.1Very low27.1Very low200 Ų200120.9 Ų120.988%0.87780%0.795SS**  trans-82.4113.5165.5-95.5-82.2000110G632G632-F634 PolarHBondContact O-N 3.29Å
635A24.4Very low26.8Very low89 Ų89122.5 Ų122.574%0.73680%0.802SS**PPolyproline II helixtrans-79.613816400000109.6
636A25.1Very low26.7Very low100 Ų100121.4 Ų121.483%0.82680%0.804SS**PPolyproline II helixtrans-90.1127.1-177.900000112.3
637P27Very low26.4Very low117 Ų117119.4 Ų119.476%0.7680%0.802SS**PPolyproline II helixtrans-79.3165.1162.7-10.128.6000111.8
638P29.6Very low26.8Very low133 Ų133120.4 Ų120.486%0.86481%0.806SS**PPolyproline II helixtrans-95.2156.6-169.736.9-35.7000114.4
639G25.8Very low26.6Very low75 Ų75118.7 Ų118.777%0.77380%0.802SS**  trans136.9121.7152.500000116.4
640A25.5Very low26.5Very low88 Ų88122.7 Ų122.773%0.72781%0.809SS**  trans37.4108.9154.400000119.9
641M25.6Very low26.9Very low194 Ų194122.1 Ų122.196%0.95681%0.807SS**  -135.8149.9104.7-64.2-58.6161.900107.7
642A25.3Very low26.7Very low102 Ų102121.4 Ų121.484%0.84381%0.814SS**  trans-121.9173.7-173.800000112.9
643A26.6Very low26.8Very low100 Ų100123.3 Ų123.383%0.82682%0.823SS**  trans86.685.2166.900000119.2
644A26Very low26.9Very low104 Ų104117.8 Ų117.886%0.8682%0.822SS**  -150.4135.4123.200000108.7
645V26.5Very low26.8Very low149 Ų149112.6 Ų112.690%0.90382%0.817SS**  trans-131114.9-172.5178.80000111.1
646A27.9Very low27Very low104 Ų104113.1 Ų113.186%0.8682%0.821SS**  trans-163.2146.7156.400000110.3
647A27.2Very low27.1Very low94 Ų94114.5 Ų114.578%0.77783%0.825SS**  trans-134.1-179.3177.300000107.9
648P36Very low27.1Very low124 Ų124114.1 Ų114.181%0.80583%0.825SS**  cis-139.5172.46.941.8-23000118.1
649A23.9Very low27.1Very low84 Ų84114.1 Ų114.169%0.69482%0.822SS**  trans-6.9147.3159.500000122.9
650H26.4Very low27.2Very low191 Ų191117.8 Ų117.888%0.88482%0.823SS**  -155.2164.2115.9-103.6-74.7000110.6
651P33.1Very low27.7Very low119 Ų119118.5 Ų118.577%0.77382%0.82SS**  trans-100.9176.2-15439.6-39.1000116.9
652A25.2Very low28.2Very low102 Ų102118 Ų11884%0.84382%0.816SS**  trans-99.9160.4-172.600000115.5
653A26.3Very low29Very low101 Ų101118.7 Ų118.784%0.83581%0.811SS**  trans-158.8160.1145.600000111.6
654A24.8Very low30.3Very low103 Ų103117.3 Ų117.385%0.85181%0.807SS**  trans-65.5172.3-178.900000113.5
655A25.5Very low31.5Very low92 Ų92116.2 Ų116.276%0.7680%0.798SS**  cis-168179.333.800000114.9
656A27.2Very low32.9Very low100 Ų100114.3 Ų114.383%0.82678%0.782SS**  trans71.7136.116100000119.2
657S27.9Very low34.1Very low129 Ų129112.2 Ų112.290%0.90276%0.759SS**  trans-143.8147171.3-60.80000109.8
658S26.6Very low35.7Very low109 Ų109115.1 Ų115.176%0.76275%0.75SS**  trans-140.1111.6-176.648.60000113.1
659V30.2Very low36.8Very low132 Ų132110.8 Ų110.880%0.872%0.719SS**  30.898.7119.7179.60000113.5
660L27.4Very low38.6Very low153 Ų153113.3 Ų113.380%0.80172%0.716SS**  173.8-174.765.8-99.6159.6000107.7
661P36.8Very low40.2Very low103 Ų103107.1 Ų107.167%0.66970%0.704SS**  cis-123.8176.8-31.639-25.4000112.6
662Q35.8Very low41.8Very low183 Ų183103 Ų10386%0.85568%0.675SS**  trans-143132.4161.6-83.5-65.6-10.800110.3
663P42Very low43.9Very low116 Ų116101.7 Ų101.775%0.75366%0.659SS**  trans-97.7106.8177.734.7-27.7000111.7
664G53.9Low45.3Very low72 Ų72103.5 Ų103.574%0.74265%0.645SS**  trans-170.7147.5174.600000111.1
665A51.7Low47.5Very low81 Ų81105.2 Ų105.267%0.66964%0.64SS**  trans-128.579.8-170.200000111.9V667A665-V667 WeakPolarHBondContact O-CG2 3.48Å; A665-V667 PolarHBondContact O-N 3.36Å
666L54.8Low49.4Very low108 Ų108101.9 Ų101.957%0.56561%0.61SS**  trans-55.4124.6178.8-171.984.8000112.2L715 C716 L717L666-L715 HydrophobicContact CD1-CD1 4.05Å; L666-L715 HydrophobicContact CD1-CD2 4.45Å; L666-L715 HydrophobicContact CD1-CG 4.2Å; L666-L715 HydrophobicContact CD2-CD1 4.3Å; L666-L715 HydrophobicContact CG-CD1 4.32Å; L666-C716 WeakPolarHBondContact CD1-O 3.29Å; L666-L717 HydrophobicContact CD1-CD2 3.66Å; L666-L717 HydrophobicContact CD1-CG 4.04Å
667V53.9Low51.5Low61 Ų6198.5 Ų98.537%0.3758%0.584SS.*EExtended strand (participates in β ladder)trans-117.1117.3177.7-173.90000111.3A665 M669 F685 C716A665-V667 WeakPolarHBondContact O-CG2 3.48Å; A665-V667 PolarHBondContact O-N 3.36Å; V667-M669 HydrophobicContact CG1-CG 4.23Å; V667-F685 HydrophobicContact CB-CZ 4.36Å; V667-F685 HydrophobicContact CG1-CZ 4.21Å; V667-F685 HydrophobicContact CG2-CZ 4.47Å; V667-C716 PolarHBondContact N-O 2.61Å
668R59.8Low53.4Low155 Ų15595.1 Ų95.159%0.58556%0.558SS**EExtended strand (participates in β ladder)trans-89.8122.5168.9-173.8-176.6-170.9152.40.4109.7Q670 E713R668-Q670 HydrophobicContact CG-CG 4.39Å; R668-E713 IonicContact CZ-OE1 2.71Å; R668-E713 VanDerWaalsContact CZ-OE1 3.27Å; R668-E713 IonicContact CZ-OE2 3.48Å; R668-E713 IonicContact NE-OE1 2.77Å; R668-E713 PolarHBondContact NE-OE1 2.92Å; R668-E713 IonicContact NH2-OE1 2.94Å; R668-E713 PolarHBondContact NH2-OE1 3.35Å; R668-E713 IonicContact NH2-OE2 3.69Å; R668-E713 PolarHBondContact NH2-OE2 2.8Å
669M60.4Low55.4Low33 Ų3398.2 Ų98.216%0.16356%0.558CS.*EExtended strand (participates in β ladder)trans-104.3133174.2-59.1-175.785.200110V667 L672 I681 F684 F685V667-M669 HydrophobicContact CG1-CG 4.23Å; M669-L672 HydrophobicContact CB-CD1 4.03Å; M669-L672 HydrophobicContact CB-CG 4.39Å; M669-L672 HydrophobicContact CE-CD2 4.34Å; M669-I681 HydrophobicContact SD-CG2 3.97Å; M669-F684 HydrophobicContact CE-CD1 3.74Å; M669-F684 HydrophobicContact CE-CE1 3.83Å; M669-F684 HydrophobicContact CE-CG 4.21Å; M669-F684 HydrophobicContact CE-CZ 4.37Å; M669-F685 HydrophobicContact SD-CE2 3.91Å; M669-F685 HydrophobicContact SD-CZ 4.31Å
670Q61.2Low57.3Low136 Ų13695.8 Ų95.864%0.63654%0.541SS*.  trans-128.4149.8178.8-70.2-173-39.500110.4R668 E713R668-Q670 HydrophobicContact CG-CG 4.39Å; Q670-E713 WeakPolarHBondContact CG-OE1 3.48Å; Q670-E713 PolarHBondContact NE2-OE1 2.9Å
671G59.6Low59.5Low61 Ų6188.9 Ų88.963%0.62950%0.504SS*.SBendtrans79.518.8178.400000115.1
672L67.8Low61Low32 Ų3287.5 Ų87.517%0.16849%0.491CS..  trans-68.2138174.1-66.7176.7000111.1M669 T676 I681M669-L672 HydrophobicContact CB-CD1 4.03Å; M669-L672 HydrophobicContact CB-CG 4.39Å; M669-L672 HydrophobicContact CE-CD2 4.34Å; L672-T676 HydrophobicContact CD1-CG2 4.37Å; L672-T676 HydrophobicContact CD2-CG2 4.43Å; L672-I681 HydrophobicContact CD1-CD1 3.97Å; L672-I681 HydrophobicContact CD1-CG1 4.08Å
673P68.7Low62.6Low76 Ų7681.7 Ų81.749%0.49447%0.471SS..  trans-53.3147.7171.9-29.136000113.9N675 T676P673-N675 VanDerWaalsContact CB-OD1 3.25Å; P673-N675 WeakPolarHBondContact CB-OD1 3.34Å; P673-N675 PolarHBondContact O-N 3.29Å; P673-T676 WeakPolarHBondContact CD-OG1 3.1Å; P673-T676 WeakPolarHBondContact O-CB 3.43Å; P673-T676 PolarHBondContact O-N 2.93Å; P673-T676 PolarHBondContact O-OG1 3.17Å
674Y55.7Low64Low139 Ų13983.2 Ų83.255%0.54547%0.466SS..THydrogen-bonded Turntrans-59.8-23.8-176.6-77.9-77.7000114.6Q710 K712Y674-Q710 PolarHBondContact OH-O 2.96Å; Y674-K712 HydrophobicContact CD1-CG 4.28Å; Y674-K712 PolarHBondContact O-NZ 3.32Å
675N71Confident64.6Low139 Ų13981 Ų8174%0.74344%0.436SS*.THydrogen-bonded Turntrans-91.1-4.4178.366.2-38.4000114.4P673 G677P673-N675 VanDerWaalsContact CB-OD1 3.25Å; P673-N675 WeakPolarHBondContact CB-OD1 3.34Å; P673-N675 PolarHBondContact O-N 3.29Å; N675-G677 PolarHBondContact O-N 3.34Å
676T65.1Low64.7Low22 Ų2285.2 Ų85.214%0.13544%0.442CS..  trans-65.2121.4177.7-57.40000110.7L672 P673 D680 I681L672-T676 HydrophobicContact CD1-CG2 4.37Å; L672-T676 HydrophobicContact CD2-CG2 4.43Å; P673-T676 WeakPolarHBondContact CD-OG1 3.1Å; P673-T676 WeakPolarHBondContact O-CB 3.43Å; P673-T676 PolarHBondContact O-N 2.93Å; P673-T676 PolarHBondContact O-OG1 3.17Å; T676-D680 HydrophobicContact CG2-CB 3.89Å; T676-I681 HydrophobicContact CG2-CG1 3.99Å
677G71.3Confident64.8Low28 Ų2883.8 Ų83.829%0.28945%0.453SS..  trans-100.6170.7175.500000113.2N675 K679 D680 I681N675-G677 PolarHBondContact O-N 3.34Å; G677-K679 PolarHBondContact O-N 2.93Å; G677-D680 PolarHBondContact N-OD2 3.44Å; G677-D680 WeakPolarHBondContact O-CB 3.5Å; G677-D680 PolarHBondContact O-N 3.36Å; G677-I681 PolarHBondContact O-N 2.88Å
678V67.9Low65Low58 Ų5889 Ų8935%0.35247%0.467SS..Hα-helixtrans-54.9-37178.9176.10000112.2D680 I681 L682 L698 W714V678-D680 VanDerWaalsContact C-N 3.29Å; V678-D680 PolarHBondContact O-N 2.79Å; V678-I681 PolarHBondContact O-N 3.27Å; V678-L682 HydrophobicContact CG1-CD1 3.94Å; V678-L682 HydrophobicContact CG1-CG 4.32Å; V678-L682 WeakPolarHBondContact O-CG 3.48Å; V678-L682 PolarHBondContact O-N 3.37Å; V678-L698 HydrophobicContact CG1-CD1 3.6Å; V678-L698 HydrophobicContact CG2-CD1 4.49Å; V678-W714 HydrophobicContact CG2-CH2 4.25Å; V678-W714 HydrophobicContact CG2-CZ3 4.19Å
679K68.9Low64.5Low175 Ų17591.2 Ų91.276%0.76148%0.484SS*.Hα-helixtrans-61.7-36.3177.2-172.7179.2178.5-176.50112.6G677 S683G677-K679 PolarHBondContact O-N 2.93Å; K679-S683 WeakPolarHBondContact O-CB 3.49Å; K679-S683 PolarHBondContact O-N 3.1Å
680D70.8Confident64.1Low81 Ų8196.4 Ų96.443%0.43350%0.503SS..Hα-helixtrans-73.9-40.8-179.5-49.6-45.1000110.3T676 G677 V678 S683 F684T676-D680 HydrophobicContact CG2-CB 3.89Å; G677-D680 PolarHBondContact N-OD2 3.44Å; G677-D680 WeakPolarHBondContact O-CB 3.5Å; G677-D680 PolarHBondContact O-N 3.36Å; V678-D680 VanDerWaalsContact C-N 3.29Å; V678-D680 PolarHBondContact O-N 2.79Å; D680-S683 WeakPolarHBondContact O-CB 3.28Å; D680-S683 PolarHBondContact O-N 3.02Å; D680-S683 VanDerWaalsContact O-N 3.11Å; D680-S683 PolarHBondContact O-OG 3.05Å; D680-F684 PolarHBondContact O-N 3.26Å
681I73.2Confident63.5Low7 Ų791.5 Ų91.54%0.03649%0.489CS..Hα-helixtrans-59.2-48.6173-61.4172.8000110.2M669 L672 T676 G677 V678 S683 F684 F685 W714M669-I681 HydrophobicContact SD-CG2 3.97Å; L672-I681 HydrophobicContact CD1-CD1 3.97Å; L672-I681 HydrophobicContact CD1-CG1 4.08Å; T676-I681 HydrophobicContact CG2-CG1 3.99Å; G677-I681 PolarHBondContact O-N 2.88Å; V678-I681 PolarHBondContact O-N 3.27Å; I681-S683 VanDerWaalsContact C-N 3.26Å; I681-S683 PolarHBondContact O-N 3.24Å; I681-F684 WeakPolarHBondContact O-CB 3.2Å; I681-F684 PolarHBondContact O-N 3.09Å; I681-F685 HydrophobicContact CG2-CD2 4.33Å; I681-F685 HydrophobicContact CG2-CE2 4.23Å; I681-F685 VanDerWaalsContact O-CD2 3.26Å; I681-F685 WeakPolarHBondContact O-CD2 3.41Å; I681-W714 HydrophobicContact CD1-CB 4.23Å; I681-W714 HydrophobicContact CD1-CD2 4.09Å; I681-W714 HydrophobicContact CD1-CG 3.86Å
682L68.3Low62.8Low74 Ų7493.8 Ų93.839%0.38749%0.492SS..Hα-helixtrans-63.8-29.4175.4-68.1172.4000112.6V678 F685 Q686V678-L682 HydrophobicContact CG1-CD1 3.94Å; V678-L682 HydrophobicContact CG1-CG 4.32Å; V678-L682 WeakPolarHBondContact O-CG 3.48Å; V678-L682 PolarHBondContact O-N 3.37Å; L682-F685 PolarHBondContact O-N 3.36Å; L682-Q686 PolarHBondContact O-N 3.46Å
683S69.5Low61.8Low62 Ų6299.3 Ų99.343%0.43452%0.522SS..Hα-helixtrans-70.8-35.8176.180.20000113.2K679 D680 I681 F685 Q686K679-S683 WeakPolarHBondContact O-CB 3.49Å; K679-S683 PolarHBondContact O-N 3.1Å; D680-S683 WeakPolarHBondContact O-CB 3.28Å; D680-S683 PolarHBondContact O-N 3.02Å; D680-S683 VanDerWaalsContact O-N 3.11Å; D680-S683 PolarHBondContact O-OG 3.05Å; I681-S683 VanDerWaalsContact C-N 3.26Å; I681-S683 PolarHBondContact O-N 3.24Å; S683-F685 PolarHBondContact O-N 3.48Å; S683-Q686 PolarHBondContact O-N 3.3Å
684F71.3Confident60.7Low147 Ų147102.7 Ų102.765%0.64553%0.532SS*.Hα-helixtrans-59.7-27171.9174.1-94.2000112.3M669 D680 I681M669-F684 HydrophobicContact CE-CD1 3.74Å; M669-F684 HydrophobicContact CE-CE1 3.83Å; M669-F684 HydrophobicContact CE-CG 4.21Å; M669-F684 HydrophobicContact CE-CZ 4.37Å; D680-F684 PolarHBondContact O-N 3.26Å; I681-F684 WeakPolarHBondContact O-CB 3.2Å; I681-F684 PolarHBondContact O-N 3.09Å
685F66.9Low60.4Low26 Ų26105.3 Ų105.311%0.11454%0.542CS..THydrogen-bonded Turntrans-94.3-0.7-179.3-79.1-58.9000114.8V667 M669 I681 L682 S683 G687 Y688 Y690V667-F685 HydrophobicContact CB-CZ 4.36Å; V667-F685 HydrophobicContact CG1-CZ 4.21Å; V667-F685 HydrophobicContact CG2-CZ 4.47Å; M669-F685 HydrophobicContact SD-CE2 3.91Å; M669-F685 HydrophobicContact SD-CZ 4.31Å; I681-F685 HydrophobicContact CG2-CD2 4.33Å; I681-F685 HydrophobicContact CG2-CE2 4.23Å; I681-F685 VanDerWaalsContact O-CD2 3.26Å; I681-F685 WeakPolarHBondContact O-CD2 3.41Å; L682-F685 PolarHBondContact O-N 3.36Å; S683-F685 PolarHBondContact O-N 3.48Å; F685-G687 PolarHBondContact O-N 3.33Å; F685-Y688 HydrophobicContact CD1-CD2 4.28Å; F685-Y688 HydrophobicContact CD1-CE2 4.39Å; F685-Y688 PolarHBondContact O-N 3.24Å; F685-Y690 HydrophobicContact CB-CE2 4.27Å; F685-Y690 WeakPolarHBondContact CB-OH 3.5Å; F685-Y690 VanDerWaalsContact CD1-OH 3.32Å; F685-Y690 WeakPolarHBondContact CD1-OH 3.34Å; F685-Y690 WeakPolarHBondContact O-CE2 3Å
686Q53.8Low59.1Low170 Ų170104.7 Ų104.779%0.79455%0.548SS*.THydrogen-bonded Turntrans-65.2102.2176.5-77.7-174.6-28.100111.7L682 S683L682-Q686 PolarHBondContact O-N 3.46Å; S683-Q686 PolarHBondContact O-N 3.3Å
687G55.4Low58.3Low77 Ų77104 Ų10479%0.79455%0.545SS*.THydrogen-bonded Turntrans154.4-24.9-178.800000113.4F685F685-G687 PolarHBondContact O-N 3.33Å
688Y58Low57Low171 Ų171106 Ų10667%0.67155%0.549SS*.SBendtrans-87154.4169.7-57-87.1000110.8F685 Y690F685-Y688 HydrophobicContact CD1-CD2 4.28Å; F685-Y688 HydrophobicContact CD1-CE2 4.39Å; F685-Y688 PolarHBondContact O-N 3.24Å; Y688-Y690 WeakPolarHBondContact O-CD2 2.94Å; Y688-Y690 WeakPolarHBondContact O-CE2 3.34Å
689Q49.8Very low55.7Low201 Ų201106.5 Ų106.594%0.93955%0.552SS**  trans-86.4123.8172.4-71.2-176.9-16.500109.5
690Y53.1Low54.5Low142 Ų142103.8 Ų103.856%0.55754%0.542SS*.  trans-107.3140.4178.5-67.9-80.4000110.6F685 Y688F685-Y690 HydrophobicContact CB-CE2 4.27Å; F685-Y690 WeakPolarHBondContact CB-OH 3.5Å; F685-Y690 VanDerWaalsContact CD1-OH 3.32Å; F685-Y690 WeakPolarHBondContact CD1-OH 3.34Å; F685-Y690 WeakPolarHBondContact O-CE2 3Å; Y688-Y690 WeakPolarHBondContact O-CD2 2.94Å; Y688-Y690 WeakPolarHBondContact O-CE2 3.34Å
691G47.8Very low52.9Low34 Ų34107 Ų10735%0.35156%0.556SS.*  trans-68.6138.6170.500000110.6D693G691-D693 PolarHBondContact O-N 2.73Å
692P44.3Very low51.3Low108 Ų108113 Ų11370%0.70159%0.589SS**THydrogen-bonded Turntrans-67.4-17.9-174.325.7-34000114.5
693D47.7Very low50.1Low148 Ų148117.4 Ų117.479%0.79161%0.607SS**THydrogen-bonded Turntrans-104.9-2.9-170.7-62.2-59.9000115G691 Y695G691-D693 PolarHBondContact O-N 2.73Å; D693-Y695 PolarHBondContact O-N 3.24Å; D693-Y695 VanDerWaalsContact O-N 3.13Å
694E45.9Very low48.2Very low148 Ų148122.5 Ų122.569%0.69262%0.624SS**  trans-8420-172.8-64.9-175.8126.500114.5S696E694-S696 PolarHBondContact O-N 3.18Å; E694-S696 VanDerWaalsContact O-N 3.09Å
695Y47.7Very low46.7Very low193 Ų193120.7 Ų120.776%0.75764%0.636SS**G310 helixtrans-68.7-6.4-174.1-94.6-83.3000116.3D693 G697D693-Y695 PolarHBondContact O-N 3.24Å; D693-Y695 VanDerWaalsContact O-N 3.13Å; Y695-G697 VanDerWaalsContact C-N 3.27Å; Y695-G697 PolarHBondContact O-N 3.43Å
696S45.6Very low45.2Very low126 Ų126130.4 Ų130.488%0.88167%0.672SS**G310 helixtrans-82.411.5-166.3-163.20000115.6E694E694-S696 PolarHBondContact O-N 3.18Å; E694-S696 VanDerWaalsContact O-N 3.09Å
697G47.7Very low44.3Very low7 Ų7127.6 Ų127.67%0.07267%0.671CS.*G310 helixtrans-117.6-1.8-159.500000119.1Y695 V699Y695-G697 VanDerWaalsContact C-N 3.27Å; Y695-G697 PolarHBondContact O-N 3.43Å; G697-V699 PolarHBondContact O-N 3.09Å
698L42.8Very low43.5Very low71 Ų71132.1 Ų132.137%0.37268%0.676SS.*  trans-81.482.7-176.4-109.6163.3000112.2V678 Q700 W714V678-L698 HydrophobicContact CG1-CD1 3.6Å; V678-L698 HydrophobicContact CG2-CD1 4.49Å; L698-Q700 PolarHBondContact O-N 2.91Å; L698-W714 HydrophobicContact CD2-CE3 3.9Å; L698-W714 HydrophobicContact CD2-CZ3 4.28Å
699V41Very low42.7Very low68 Ų68131.3 Ų131.341%0.41268%0.682SS.*  trans-89.8104.7-179.7-1750000111.1G697 M701G697-V699 PolarHBondContact O-N 3.09Å; V699-M701 HydrophobicContact CG1-CE 3.58Å; V699-M701 PolarHBondContact O-N 2.87Å
700Q44.1Very low42.3Very low119 Ų119129.2 Ų129.256%0.55667%0.672SS**PPolyproline II helixtrans-72.2119.1162.4-176178.1-29.100109.1L698 N702 W714L698-Q700 PolarHBondContact O-N 2.91Å; Q700-N702 PolarHBondContact O-N 2.64Å; Q700-W714 HydrophobicContact CB-CH2 4.49Å; Q700-W714 HydrophobicContact CB-CZ3 4.06Å; Q700-W714 HydrophobicContact CG-CH2 4.47Å; Q700-W714 HydrophobicContact CG-CZ3 4.45Å
701M38Very low41.7Very low147 Ų147126 Ų12672%0.72467%0.669SS**PPolyproline II helixtrans-65.4128.8172.9-72-79.9104.200109.7V699V699-M701 HydrophobicContact CG1-CE 3.58Å; V699-M701 PolarHBondContact O-N 2.87Å
702N38.1Very low41.4Very low134 Ų134128.9 Ų128.972%0.71767%0.671SS**PPolyproline II helixtrans-77.3156.2-160.7-167.232.7000115.1Q700 Q704Q700-N702 PolarHBondContact O-N 2.64Å; N702-Q704 PolarHBondContact O-N 2.71Å
703E43Very low41.4Very low167 Ų167127.9 Ų127.978%0.7866%0.658SS**  trans-69.8113.8174.5-61.3-178.1114.400112.2
704Q30.6Very low41.3Very low169 Ų169122.5 Ų122.579%0.7963%0.626SS**  trans-141.6106.8155.5-72.3-164.1-21.900110.9N702N702-Q704 PolarHBondContact O-N 2.71Å
705A40.5Very low40.9Very low109 Ų109118.3 Ų118.390%0.90161%0.608SS**SBendtrans35.878162.900000117.3
706R34.3Very low40.9Very low230 Ų230110.6 Ų110.687%0.86858%0.582SS**  trans-138.3156.5170.3-70.4-172.9177.7172.50.5112.5
707S35.1Very low40.6Very low110 Ų110111.1 Ų111.177%0.76957%0.574SS**  trans-74.4148.3-173.544.90000113.9I709S707-I709 VanDerWaalsContact C-N 3.28Å; S707-I709 PolarHBondContact O-N 3.13Å
708L38.6Very low40.3Very low172 Ų172116.3 Ų116.390%0.90160%0.599SS**SBendtrans-79.344.1-164-76.3162.9000115.7
709I41Very low40.1Very low155 Ų155118.7 Ų118.780%0.79561%0.611SS**  trans-136.242.8178-32.6179.3000113.3S707S707-I709 VanDerWaalsContact C-N 3.28Å; S707-I709 PolarHBondContact O-N 3.13Å
710Q40.8Very low40.1Very low157 Ų157121.5 Ų121.573%0.73462%0.622SS**SBendtrans-138.5137.4167.1-69-168.2-9.100111.9Y674Y674-Q710 PolarHBondContact OH-O 2.96Å
711P40.5Very low39.8Very low74 Ų74121.6 Ų121.648%0.48163%0.626SS.*PPolyproline II helixtrans-71.2155.418031.2-35.9000112E713P711-E713 PolarHBondContact O-N 2.71Å
712K42.2Very low40Very low94 Ų94120.1 Ų120.141%0.40962%0.62SS.*PPolyproline II helixtrans-60133.2177.2-68.2176.9175.5173.10111.3Y674Y674-K712 HydrophobicContact CD1-CG 4.28Å; Y674-K712 PolarHBondContact O-NZ 3.32Å
713E45Very low40.1Very low88 Ų88119.1 Ų119.141%0.41161%0.614SS.*PPolyproline II helixtrans-101.6140166.2-63.8-151.210300110.5R668 Q670 P711R668-E713 IonicContact CZ-OE1 2.71Å; R668-E713 VanDerWaalsContact CZ-OE1 3.27Å; R668-E713 IonicContact CZ-OE2 3.48Å; R668-E713 IonicContact NE-OE1 2.77Å; R668-E713 PolarHBondContact NE-OE1 2.92Å; R668-E713 IonicContact NH2-OE1 2.94Å; R668-E713 PolarHBondContact NH2-OE1 3.35Å; R668-E713 IonicContact NH2-OE2 3.69Å; R668-E713 PolarHBondContact NH2-OE2 2.8Å; Q670-E713 WeakPolarHBondContact CG-OE1 3.48Å; Q670-E713 PolarHBondContact NE2-OE1 2.9Å; P711-E713 PolarHBondContact O-N 2.71Å
714W45.9Very low39.9Very low35 Ų35115.7 Ų115.713%0.13360%0.602CS.*EExtended strand (participates in β ladder)trans-126.4141.3175.2-71.493.8000110.2V678 I681 L698 Q700V678-W714 HydrophobicContact CG2-CH2 4.25Å; V678-W714 HydrophobicContact CG2-CZ3 4.19Å; I681-W714 HydrophobicContact CD1-CB 4.23Å; I681-W714 HydrophobicContact CD1-CD2 4.09Å; I681-W714 HydrophobicContact CD1-CG 3.86Å; L698-W714 HydrophobicContact CD2-CE3 3.9Å; L698-W714 HydrophobicContact CD2-CZ3 4.28Å; Q700-W714 HydrophobicContact CB-CH2 4.49Å; Q700-W714 HydrophobicContact CB-CZ3 4.06Å; Q700-W714 HydrophobicContact CG-CH2 4.47Å; Q700-W714 HydrophobicContact CG-CZ3 4.45Å
715L37.3Very low40.6Very low60 Ų60111.6 Ų111.631%0.31459%0.587SS.*EExtended strand (participates in β ladder)trans-109.5121.6170.3-165.476.3000108.6L666L666-L715 HydrophobicContact CD1-CD1 4.05Å; L666-L715 HydrophobicContact CD1-CD2 4.45Å; L666-L715 HydrophobicContact CD1-CG 4.2Å; L666-L715 HydrophobicContact CD2-CD1 4.3Å; L666-L715 HydrophobicContact CG-CD1 4.32Å
716C47.2Very low40.6Very low30 Ų30111.8 Ų111.820%0.20356%0.561CS.*EExtended strand (participates in β ladder)trans-106128.5162.2-158.70000107.8L666 V667L666-C716 WeakPolarHBondContact CD1-O 3.29Å; V667-C716 PolarHBondContact N-O 2.61Å
717L39.3Very low41.2Very low137 Ų137101.1 Ų101.172%0.71753%0.533SS*.  trans-76.60159.9-83158.7000109.5L666L666-L717 HydrophobicContact CD1-CD2 3.66Å; L666-L717 HydrophobicContact CD1-CG 4.04Å

Retrieved 717 of 717 residues in 188.7 ms (Link to these results)

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